A0A087XXH5_POEFO Loading...

Glycine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XXH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 295 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	44.2	Very low	239 Å²	239	117.1 Å²	117.1	100%	1.177	63%	0.628	S	S	*	*				0	109.1	0	-76.3	-174.8	-103.5	0	0	106.8	V3	M1-V3 PolarHBondContact O-N 3.17Å
2	S	32.8	Very low	44.8	Very low	106 Å²	106	117.8 Å²	117.8	74%	0.741	63%	0.63	S	S	*	*			trans	-64.5	124.3	177.7	53.2	0	0	0	0	108.3	D4	S2-D4 PolarHBondContact O-N 3.42Å
3	V	33.3	Very low	45.4	Very low	129 Å²	129	112.4 Å²	112.4	78%	0.782	62%	0.619	S	S	*	*			trans	-76.7	102.7	168.8	-175.1	0	0	0	0	105	M1 S5	M1-V3 PolarHBondContact O-N 3.17Å; V3-S5 PolarHBondContact O-N 3.09Å
4	D	33.2	Very low	45.4	Very low	134 Å²	134	114.1 Å²	114.1	72%	0.717	63%	0.634	S	S	*	*			trans	-61.6	90.8	167.3	-75.9	-22.2	0	0	0	107.6	S2 V6	S2-D4 PolarHBondContact O-N 3.42Å; D4-V6 HydrophobicContact CB-CG2 4.31Å; D4-V6 PolarHBondContact O-N 2.97Å
5	S	38.2	Very low	45.5	Very low	111 Å²	111	110.5 Å²	110.5	78%	0.776	63%	0.625	S	S	*	*			trans	-73.8	73.2	172.1	46.4	0	0	0	0	108.2	V3 F7	V3-S5 PolarHBondContact O-N 3.09Å; S5-F7 PolarHBondContact O-N 3.47Å
6	V	52.1	Low	46	Very low	98 Å²	98	105.1 Å²	105.1	59%	0.594	60%	0.598	S	S	*	*			trans	-66.2	105.5	174.3	-177.4	0	0	0	0	107.8	D4 R8	D4-V6 HydrophobicContact CB-CG2 4.31Å; D4-V6 PolarHBondContact O-N 2.97Å; V6-R8 HydrophobicContact CG1-CG 3.88Å; V6-R8 PolarHBondContact O-N 3.11Å
7	F	47.4	Very low	46.4	Very low	138 Å²	138	108.1 Å²	108.1	61%	0.605	61%	0.606	S	S	*	*			trans	-70.7	98.2	172.9	-161.2	-86.7	0	0	0	108.6	S5 R242	S5-F7 PolarHBondContact O-N 3.47Å; F7-R242 VanDerWaalsContact CZ-NH1 3.34Å
8	R	55.7	Low	46.9	Very low	134 Å²	134	104.3 Å²	104.3	51%	0.506	60%	0.595	S	S	.	*			trans	-89.1	132.6	173.5	-63.2	-173.6	179.1	176.1	-1.1	109.3	V6 R10 R242	V6-R8 HydrophobicContact CG1-CG 3.88Å; V6-R8 PolarHBondContact O-N 3.11Å; R8-R10 PolarHBondContact O-N 3.02Å; R8-R242 PolarHBondContact O-NH1 3.27Å
9	T	53.3	Low	47.5	Very low	63 Å²	63	100.1 Å²	100.1	39%	0.387	57%	0.57	S	S	.	*	S	Bend	trans	-71.6	-11.6	175.5	54.1	0	0	0	0	112.6	M218 S244	T9-M218 HydrophobicContact CG2-CE 3.54Å; T9-M218 HydrophobicContact CG2-SD 4.43Å; T9-S244 PolarHBondContact O-OG 3.13Å
10	R	56	Low	48.5	Very low	103 Å²	103	96.4 Å²	96.4	39%	0.389	55%	0.55	S	S	.	*	S	Bend	trans	-163.5	170.4	-178.4	62.7	178.8	-173.3	-154.2	3.4	113.4	R8	R8-R10 PolarHBondContact O-N 3.02Å
11	S	50.1	Low	49.6	Very low	33 Å²	33	92.8 Å²	92.8	23%	0.231	53%	0.53	C	S	.	.			trans	-71.9	156.5	167.5	-70.4	0	0	0	0	112.7	D25	S11-D25 WeakPolarHBondContact CB-OD2 3.45Å; S11-D25 PolarHBondContact OG-OD2 2.82Å
12	L	50.8	Low	51.6	Low	126 Å²	126	82.4 Å²	82.4	66%	0.66	48%	0.478	S	S	*	.			trans	-82	132.5	178.6	-68.9	175.9	0	0	0	110.8
13	G	53	Low	53.6	Low	47 Å²	47	78.6 Å²	78.6	49%	0.485	45%	0.448	S	S	.	.			trans	-159.7	155.4	-178.4	0	0	0	0	0	113
14	V	44.7	Very low	55.4	Low	136 Å²	136	73.8 Å²	73.8	82%	0.824	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-79.8	134.9	169.4	-175.4	0	0	0	0	107.7
15	A	47.8	Very low	57.1	Low	61 Å²	61	69.8 Å²	69.8	50%	0.504	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-84.9	144	-174.5	0	0	0	0	0	111.7
16	A	52.5	Low	58.5	Low	23 Å²	23	65 Å²	65	19%	0.19	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-70.3	150.9	146.8	0	0	0	0	0	107.5	G18 L19 A88	A16-G18 PolarHBondContact O-N 2.91Å; A16-G18 VanDerWaalsContact O-N 3.09Å; A16-L19 PolarHBondContact N-O 3.3Å; A16-L19 CarbonylContact O-C 3.47Å; A16-L19 PolarHBondContact O-N 3.24Å; A16-A88 HydrophobicContact CB-CB 4.47Å
17	E	53.8	Low	59.4	Low	156 Å²	156	66.3 Å²	66.3	73%	0.729	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.1	121.4	-174.6	-71.3	-170.9	164.8	0	0	112.5	L19 N118	E17-L19 PolarHBondContact O-N 3.38Å; E17-N118 PolarHBondContact O-ND2 3.38Å
18	G	54.2	Low	60.6	Low	40 Å²	40	59.9 Å²	59.9	41%	0.412	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	-13.5	177.8	0	0	0	0	0	117.2	A16 P20	A16-G18 PolarHBondContact O-N 2.91Å; A16-G18 VanDerWaalsContact O-N 3.09Å; G18-P20 WeakPolarHBondContact O-CD 3.23Å
19	L	59.6	Low	61.3	Low	24 Å²	24	53.7 Å²	53.7	13%	0.126	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-117.6	99.5	178.4	-164	87.4	0	0	0	110.8	A16 E17 D21 A88 L146	A16-L19 PolarHBondContact N-O 3.3Å; A16-L19 CarbonylContact O-C 3.47Å; A16-L19 PolarHBondContact O-N 3.24Å; E17-L19 PolarHBondContact O-N 3.38Å; L19-D21 PolarHBondContact O-N 2.83Å; L19-A88 HydrophobicContact CD2-CB 3.77Å; L19-L146 HydrophobicContact CD1-CB 4.23Å; L19-L146 HydrophobicContact CD1-CD1 3.42Å; L19-L146 VanDerWaalsContact CD1-CD1 3.42Å; L19-L146 HydrophobicContact CD1-CG 4.4Å
20	P	66.3	Low	62.2	Low	26 Å²	26	57.4 Å²	57.4	17%	0.169	33%	0.326	C	S	.	.			trans	-64.2	119.6	175.1	-23.1	36.3	0	0	0	110.9	G18 Q22 F149	G18-P20 WeakPolarHBondContact O-CD 3.23Å; P20-Q22 PolarHBondContact O-N 2.76Å; P20-Q22 VanDerWaalsContact O-N 3.08Å; P20-F149 HydrophobicContact CG-CE2 3.81Å; P20-F149 HydrophobicContact CG-CZ 4.06Å
21	D	72.5	Confident	62.8	Low	22 Å²	22	52.7 Å²	52.7	12%	0.118	31%	0.309	C	S	.	.			trans	-70.7	104.8	-179.2	-178.6	9.9	0	0	0	110.9	L19 Y23 A24 S89	L19-D21 PolarHBondContact O-N 2.83Å; D21-Y23 PolarHBondContact O-N 2.88Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.29Å; D21-Y23 VanDerWaalsContact OD1-CB 3.28Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.05Å; D21-Y23 WeakPolarHBondContact OD1-CD2 3.16Å; D21-Y23 PolarHBondContact OD1-N 3.44Å; D21-A24 HydrophobicContact CB-CB 4.04Å; D21-A24 WeakPolarHBondContact O-CB 3.22Å; D21-A24 PolarHBondContact O-N 3.25Å; D21-A24 PolarHBondContact OD1-N 3.27Å; D21-A24 WeakPolarHBondContact OD2-CA 3.48Å; D21-A24 PolarHBondContact OD2-N 2.99Å; D21-S89 PolarHBondContact OD1-OG 3.11Å; D21-S89 PolarHBondContact OD2-OG 2.76Å
22	Q	77.2	Confident	63.6	Low	20 Å²	20	52.5 Å²	52.5	9%	0.093	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.3	176	-62.5	-168.4	62.6	0	0	112.8	P20 H145 L243 S244	P20-Q22 PolarHBondContact O-N 2.76Å; P20-Q22 VanDerWaalsContact O-N 3.08Å; Q22-H145 PolarHBondContact NE2-ND1 2.98Å; Q22-H145 VanDerWaalsContact NE2-ND1 3.11Å; Q22-L243 HydrophobicContact CB-CD2 4.31Å; Q22-S244 PolarHBondContact NE2-O 3.28Å; Q22-S244 PolarHBondContact OE1-O 3.2Å
23	Y	74.7	Confident	64.4	Low	27 Å²	27	50.4 Å²	50.4	11%	0.106	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-0.9	179.1	-52.7	-84.2	0	0	0	113.2	D21 D25 G26 A28 M92 H145 L243	D21-Y23 PolarHBondContact O-N 2.88Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.29Å; D21-Y23 VanDerWaalsContact OD1-CB 3.28Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.05Å; D21-Y23 WeakPolarHBondContact OD1-CD2 3.16Å; D21-Y23 PolarHBondContact OD1-N 3.44Å; Y23-D25 PolarHBondContact O-N 2.88Å; Y23-D25 VanDerWaalsContact O-N 3.12Å; Y23-G26 WeakPolarHBondContact O-CA 3.46Å; Y23-G26 PolarHBondContact O-N 3.08Å; Y23-A28 HydrophobicContact CD1-CB 3.66Å; Y23-A28 HydrophobicContact CE1-CB 4.17Å; Y23-M92 HydrophobicContact CD1-CG 4.34Å; Y23-M92 HydrophobicContact CD1-SD 3.97Å; Y23-M92 HydrophobicContact CD2-CG 4.34Å; Y23-M92 HydrophobicContact CE1-CE 4.33Å; Y23-M92 HydrophobicContact CE1-SD 4.39Å; Y23-M92 HydrophobicContact CG-CG 4.05Å; Y23-M92 HydrophobicContact CG-SD 4.28Å; Y23-H145 PolarHBondContact OH-CE1 2.85Å; Y23-H145 VanDerWaalsContact OH-CE1 3.31Å; Y23-H145 PolarHBondContact OH-NE2 3.3Å; Y23-L243 HydrophobicContact CE1-CD2 4.16Å
24	A	70.5	Confident	65	Low	27 Å²	27	49.9 Å²	49.9	22%	0.223	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.1	-175.3	0	0	0	0	0	114	D21 G26	D21-A24 HydrophobicContact CB-CB 4.04Å; D21-A24 WeakPolarHBondContact O-CB 3.22Å; D21-A24 PolarHBondContact O-N 3.25Å; D21-A24 PolarHBondContact OD1-N 3.27Å; D21-A24 WeakPolarHBondContact OD2-CA 3.48Å; D21-A24 PolarHBondContact OD2-N 2.99Å; A24-G26 PolarHBondContact O-N 2.8Å
25	D	67.8	Low	66	Low	50 Å²	50	43.9 Å²	43.9	27%	0.267	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.4	175.8	77.8	0.6	0	0	0	113.2	S11 Y23 K27	S11-D25 WeakPolarHBondContact CB-OD2 3.45Å; S11-D25 PolarHBondContact OG-OD2 2.82Å; Y23-D25 PolarHBondContact O-N 2.88Å; Y23-D25 VanDerWaalsContact O-N 3.12Å; D25-K27 PolarHBondContact O-N 2.98Å; D25-K27 WeakPolarHBondContact OD1-CB 3.42Å; D25-K27 PolarHBondContact OD1-N 2.92Å
26	G	67.8	Low	66.7	Low	11 Å²	11	41 Å²	41	11%	0.113	22%	0.215	C	C	.	.	S	Bend	trans	63.9	1.1	-179.8	0	0	0	0	0	114.6	Y23 A24 K30	Y23-G26 WeakPolarHBondContact O-CA 3.46Å; Y23-G26 PolarHBondContact O-N 3.08Å; A24-G26 PolarHBondContact O-N 2.8Å; G26-K30 WeakPolarHBondContact O-CB 3.33Å; G26-K30 WeakPolarHBondContact O-CG 2.91Å; G26-K30 PolarHBondContact O-N 2.8Å
27	K	72.1	Confident	67.1	Low	126 Å²	126	41 Å²	41	55%	0.548	22%	0.216	S	C	.	.	H	α-helix	trans	-72.4	-50.2	-179.9	-68.2	-177.2	-178.7	174.7	0	110	D25 A29 K30 V31	D25-K27 PolarHBondContact O-N 2.98Å; D25-K27 WeakPolarHBondContact OD1-CB 3.42Å; D25-K27 PolarHBondContact OD1-N 2.92Å; K27-A29 VanDerWaalsContact C-N 3.34Å; K27-A29 PolarHBondContact O-N 3.01Å; K27-K30 PolarHBondContact O-N 2.89Å; K27-V31 WeakPolarHBondContact O-CB 3.4Å; K27-V31 WeakPolarHBondContact O-CG2 3.15Å; K27-V31 PolarHBondContact O-N 3.49Å
28	A	71.3	Confident	67.2	Low	3 Å²	3	38 Å²	38	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-56.4	-50.7	174.5	0	0	0	0	0	109.7	Y23 K30 V31 W32 F241	Y23-A28 HydrophobicContact CD1-CB 3.66Å; Y23-A28 HydrophobicContact CE1-CB 4.17Å; A28-K30 PolarHBondContact O-N 2.94Å; A28-V31 CarbonylContact O-C 3.54Å; A28-V31 PolarHBondContact O-N 2.84Å; A28-W32 WeakPolarHBondContact O-CA 3.48Å; A28-W32 WeakPolarHBondContact O-CB 3.4Å; A28-W32 PolarHBondContact O-N 2.78Å; A28-F241 HydrophobicContact CB-CD2 4.23Å; A28-F241 HydrophobicContact CB-CG 4.44Å
29	A	70.8	Confident	67.1	Low	3 Å²	3	40.3 Å²	40.3	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-43.4	179.7	0	0	0	0	0	114.1	K27 V31 W32 K91 M92 F95	K27-A29 VanDerWaalsContact C-N 3.34Å; K27-A29 PolarHBondContact O-N 3.01Å; A29-V31 VanDerWaalsContact C-N 3.34Å; A29-V31 PolarHBondContact O-N 2.64Å; A29-W32 WeakPolarHBondContact O-CB 3.39Å; A29-W32 PolarHBondContact O-N 3.09Å; A29-K91 HydrophobicContact CB-CB 4.43Å; A29-M92 HydrophobicContact CB-SD 3.82Å; A29-F95 HydrophobicContact CB-CE2 4.06Å
30	K	71.9	Confident	66.7	Low	142 Å²	142	45.6 Å²	45.6	62%	0.617	23%	0.232	S	C	*	.	H	α-helix	trans	-65.7	-35.6	177.7	-77.7	172.6	-177.1	176.7	0	113.4	G26 K27 A28	G26-K30 WeakPolarHBondContact O-CB 3.33Å; G26-K30 WeakPolarHBondContact O-CG 2.91Å; G26-K30 PolarHBondContact O-N 2.8Å; K27-K30 PolarHBondContact O-N 2.89Å; A28-K30 PolarHBondContact O-N 2.94Å
31	V	69.2	Low	66.1	Low	3 Å²	3	45.7 Å²	45.7	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-91.9	-14.5	-177.3	-174.9	0	0	0	0	110.1	K27 A28 A29 E33 L34 Y35 I225 S239 F241	K27-V31 WeakPolarHBondContact O-CB 3.4Å; K27-V31 WeakPolarHBondContact O-CG2 3.15Å; K27-V31 PolarHBondContact O-N 3.49Å; A28-V31 CarbonylContact O-C 3.54Å; A28-V31 PolarHBondContact O-N 2.84Å; A29-V31 VanDerWaalsContact C-N 3.34Å; A29-V31 PolarHBondContact O-N 2.64Å; V31-E33 VanDerWaalsContact C-N 3.29Å; V31-E33 PolarHBondContact O-N 3.29Å; V31-L34 HydrophobicContact CG1-CB 4.44Å; V31-L34 CarbonylContact O-C 3.44Å; V31-L34 WeakPolarHBondContact O-CA 3.09Å; V31-L34 WeakPolarHBondContact O-CB 3.48Å; V31-L34 PolarHBondContact O-N 3.32Å; V31-Y35 PolarHBondContact O-N 3.03Å; V31-I225 HydrophobicContact CG1-CD1 3.77Å; V31-S239 WeakPolarHBondContact CG2-OG 3.41Å; V31-F241 HydrophobicContact CB-CD1 4.36Å; V31-F241 HydrophobicContact CB-CE1 4.4Å; V31-F241 HydrophobicContact CG1-CD1 4.2Å; V31-F241 HydrophobicContact CG1-CE1 4.02Å
32	W	68.1	Low	66	Low	29 Å²	29	45.8 Å²	45.8	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-42.4	-178.9	-166.7	-108.8	0	0	0	110.9	A28 A29 L34 Y35 I36 M92 L243	A28-W32 WeakPolarHBondContact O-CA 3.48Å; A28-W32 WeakPolarHBondContact O-CB 3.4Å; A28-W32 PolarHBondContact O-N 2.78Å; A29-W32 WeakPolarHBondContact O-CB 3.39Å; A29-W32 PolarHBondContact O-N 3.09Å; W32-L34 VanDerWaalsContact C-N 3.25Å; W32-L34 PolarHBondContact O-N 3.25Å; W32-Y35 HydrophobicContact CD2-CD1 4.31Å; W32-Y35 AromaticContact CE3-CD1 3.78Å; W32-Y35 HydrophobicContact CE3-CD1 3.78Å; W32-Y35 HydrophobicContact CE3-CE1 4.47Å; W32-Y35 HydrophobicContact CE3-CG 4.43Å; W32-Y35 AromaticContact CH2-CD1 3.96Å; W32-Y35 HydrophobicContact CH2-CD1 3.96Å; W32-Y35 AromaticContact CH2-CE1 3.91Å; W32-Y35 HydrophobicContact CH2-CE1 3.91Å; W32-Y35 HydrophobicContact CZ2-CD1 4.46Å; W32-Y35 AromaticContact CZ3-CD1 3.58Å; W32-Y35 HydrophobicContact CZ3-CD1 3.58Å; W32-Y35 AromaticContact CZ3-CE1 3.82Å; W32-Y35 HydrophobicContact CZ3-CE1 3.82Å; W32-Y35 HydrophobicContact CZ3-CG 4.48Å; W32-Y35 WeakPolarHBondContact O-CB 3.3Å; W32-Y35 PolarHBondContact O-N 3.05Å; W32-Y35 VanDerWaalsContact O-N 3.1Å; W32-I36 HydrophobicContact CD2-CG2 4.12Å; W32-I36 HydrophobicContact CG-CG2 4.21Å; W32-I36 HydrophobicContact CZ2-CG2 4.15Å; W32-I36 WeakPolarHBondContact O-CG1 3.37Å; W32-I36 WeakPolarHBondContact O-CG2 3.35Å; W32-I36 PolarHBondContact O-N 3.22Å; W32-M92 HydrophobicContact CG-CE 4.25Å; W32-L243 HydrophobicContact CZ3-CD1 4.35Å
33	E	66.8	Low	65.5	Low	83 Å²	83	46.3 Å²	46.3	39%	0.388	24%	0.236	S	C	.	.	H	α-helix	trans	-58.1	-34.9	172.5	-70.3	-176.1	155.7	0	0	112.7	V31 I36 G37 F95	V31-E33 VanDerWaalsContact C-N 3.29Å; V31-E33 PolarHBondContact O-N 3.29Å; E33-I36 WeakPolarHBondContact O-CG1 3.14Å; E33-G37 PolarHBondContact O-N 3.12Å; E33-F95 VanDerWaalsContact OE1-CD1 3.25Å; E33-F95 WeakPolarHBondContact OE1-CD1 3.48Å
34	L	66	Low	65.7	Low	36 Å²	36	51.3 Å²	51.3	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-75.3	-41.2	173.5	-62.6	174.6	0	0	0	111.5	V31 W32 G37 L201 V227 L235	V31-L34 HydrophobicContact CG1-CB 4.44Å; V31-L34 CarbonylContact O-C 3.44Å; V31-L34 WeakPolarHBondContact O-CA 3.09Å; V31-L34 WeakPolarHBondContact O-CB 3.48Å; V31-L34 PolarHBondContact O-N 3.32Å; W32-L34 VanDerWaalsContact C-N 3.25Å; W32-L34 PolarHBondContact O-N 3.25Å; L34-G37 PolarHBondContact O-N 3.35Å; L34-G37 VanDerWaalsContact O-N 3.11Å; L34-L201 HydrophobicContact CB-CD1 4.11Å; L34-L201 WeakPolarHBondContact O-CD1 3.42Å; L34-V227 HydrophobicContact CD1-CG1 4.15Å; L34-V227 HydrophobicContact CD1-CG2 4.31Å; L34-L235 HydrophobicContact CD1-CD1 3.47Å; L34-L235 VanDerWaalsContact CD1-CD1 3.47Å
35	Y	64.3	Low	66.3	Low	9 Å²	9	56.5 Å²	56.5	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-48.7	-179.6	175.8	-104.4	0	0	0	111.8	V31 W32 G37 S199 Y223 I225 F241	V31-Y35 PolarHBondContact O-N 3.03Å; W32-Y35 HydrophobicContact CD2-CD1 4.31Å; W32-Y35 AromaticContact CE3-CD1 3.78Å; W32-Y35 HydrophobicContact CE3-CD1 3.78Å; W32-Y35 HydrophobicContact CE3-CE1 4.47Å; W32-Y35 HydrophobicContact CE3-CG 4.43Å; W32-Y35 AromaticContact CH2-CD1 3.96Å; W32-Y35 HydrophobicContact CH2-CD1 3.96Å; W32-Y35 AromaticContact CH2-CE1 3.91Å; W32-Y35 HydrophobicContact CH2-CE1 3.91Å; W32-Y35 HydrophobicContact CZ2-CD1 4.46Å; W32-Y35 AromaticContact CZ3-CD1 3.58Å; W32-Y35 HydrophobicContact CZ3-CD1 3.58Å; W32-Y35 AromaticContact CZ3-CE1 3.82Å; W32-Y35 HydrophobicContact CZ3-CE1 3.82Å; W32-Y35 HydrophobicContact CZ3-CG 4.48Å; W32-Y35 WeakPolarHBondContact O-CB 3.3Å; W32-Y35 PolarHBondContact O-N 3.05Å; W32-Y35 VanDerWaalsContact O-N 3.1Å; Y35-G37 PolarHBondContact O-N 3.47Å; Y35-S199 VanDerWaalsContact O-CB 3.32Å; Y35-S199 WeakPolarHBondContact O-CB 3.49Å; Y35-S199 PolarHBondContact O-OG 2.77Å; Y35-S199 VanDerWaalsContact O-OG 3.09Å; Y35-Y223 HydrophobicContact CD2-CD1 4.4Å; Y35-Y223 AromaticContact CE2-CD1 3.68Å; Y35-Y223 HydrophobicContact CE2-CD1 3.68Å; Y35-Y223 AromaticContact CE2-CE1 3.81Å; Y35-Y223 HydrophobicContact CE2-CE1 3.81Å; Y35-Y223 AromaticContact CZ-CE1 3.92Å; Y35-I225 HydrophobicContact CD2-CD1 3.7Å; Y35-I225 HydrophobicContact CG-CD1 4.2Å; Y35-F241 HydrophobicContact CD2-CZ 4.32Å; Y35-F241 HydrophobicContact CG-CZ 4.34Å
36	I	62.8	Low	67.3	Low	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-68.8	-19.1	175.2	70.3	-162.5	0	0	0	111.9	W32 E33 I39 V71 Y197	W32-I36 HydrophobicContact CD2-CG2 4.12Å; W32-I36 HydrophobicContact CG-CG2 4.21Å; W32-I36 HydrophobicContact CZ2-CG2 4.15Å; W32-I36 WeakPolarHBondContact O-CG1 3.37Å; W32-I36 WeakPolarHBondContact O-CG2 3.35Å; W32-I36 PolarHBondContact O-N 3.22Å; E33-I36 WeakPolarHBondContact O-CG1 3.14Å; I36-I39 HydrophobicContact CD1-CG2 3.53Å; I36-I39 HydrophobicContact CG1-CG2 4.03Å; I36-V71 HydrophobicContact CD1-CG1 4.07Å; I36-Y197 HydrophobicContact CB-CD1 3.52Å; I36-Y197 HydrophobicContact CB-CD2 4.48Å; I36-Y197 HydrophobicContact CB-CE1 3.67Å; I36-Y197 HydrophobicContact CB-CG 3.94Å; I36-Y197 HydrophobicContact CG2-CD1 3.82Å; I36-Y197 HydrophobicContact CG2-CD2 4.13Å; I36-Y197 HydrophobicContact CG2-CE1 3.56Å; I36-Y197 HydrophobicContact CG2-CE2 3.92Å; I36-Y197 HydrophobicContact CG2-CG 4.08Å; I36-Y197 WeakPolarHBondContact O-CB 3.43Å
37	G	60.5	Low	68.4	Low	22 Å²	22	55.8 Å²	55.8	23%	0.227	27%	0.272	C	S	.	.			trans	76.1	-142.9	-178.6	0	0	0	0	0	111.6	E33 L34 Y35 I39	E33-G37 PolarHBondContact O-N 3.12Å; L34-G37 PolarHBondContact O-N 3.35Å; L34-G37 VanDerWaalsContact O-N 3.11Å; Y35-G37 PolarHBondContact O-N 3.47Å; G37-I39 PolarHBondContact O-N 3.2Å
38	D	56.3	Low	69.3	Low	95 Å²	95	52.2 Å²	52.2	51%	0.508	26%	0.263	S	S	.	.			trans	-64.5	113	175.8	177.2	13.6	0	0	0	109.7	Q40 S41	D38-Q40 PolarHBondContact O-N 2.95Å; D38-Q40 VanDerWaalsContact O-N 3.11Å; D38-Q40 VanDerWaalsContact OD1-CB 3.28Å; D38-Q40 WeakPolarHBondContact OD1-CB 3.46Å; D38-Q40 PolarHBondContact OD1-N 3.39Å; D38-S41 WeakPolarHBondContact CB-OG 3.41Å; D38-S41 WeakPolarHBondContact O-CA 3.43Å; D38-S41 WeakPolarHBondContact O-CB 3.31Å; D38-S41 PolarHBondContact O-N 2.94Å; D38-S41 PolarHBondContact O-OG 2.69Å
39	I	53.4	Low	70.5	Confident	87 Å²	87	53.8 Å²	53.8	45%	0.446	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.4	176.4	52.1	169.9	0	0	0	112.9	I36 G37 S41 V71	I36-I39 HydrophobicContact CD1-CG2 3.53Å; I36-I39 HydrophobicContact CG1-CG2 4.03Å; G37-I39 PolarHBondContact O-N 3.2Å; I39-S41 VanDerWaalsContact C-N 3.26Å; I39-V71 HydrophobicContact CB-CG1 4.44Å; I39-V71 HydrophobicContact CG2-CG1 4.12Å
40	Q	50.5	Low	71.7	Confident	136 Å²	136	53.6 Å²	53.6	64%	0.636	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.5	172.3	-59.8	-68.1	-39.4	0	0	112.9	D38	D38-Q40 PolarHBondContact O-N 2.95Å; D38-Q40 VanDerWaalsContact O-N 3.11Å; D38-Q40 VanDerWaalsContact OD1-CB 3.28Å; D38-Q40 WeakPolarHBondContact OD1-CB 3.46Å; D38-Q40 PolarHBondContact OD1-N 3.39Å
41	S	53.8	Low	72.9	Confident	27 Å²	27	47.3 Å²	47.3	19%	0.189	24%	0.24	C	C	.	.			trans	-118	41.8	-170.5	79.9	0	0	0	0	113.9	D38 I39 T43	D38-S41 WeakPolarHBondContact CB-OG 3.41Å; D38-S41 WeakPolarHBondContact O-CA 3.43Å; D38-S41 WeakPolarHBondContact O-CB 3.31Å; D38-S41 PolarHBondContact O-N 2.94Å; D38-S41 PolarHBondContact O-OG 2.69Å; I39-S41 VanDerWaalsContact C-N 3.26Å; S41-T43 PolarHBondContact O-N 3.34Å
42	R	69.4	Low	74.2	Confident	24 Å²	24	49.7 Å²	49.7	9%	0.091	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-48.4	137.4	152.9	-80.1	-58.2	-170.8	138.1	-10	107.6	Q44 Y46 D72 M75 Y196 Y197	R42-Q44 PolarHBondContact O-N 3Å; R42-Y46 HydrophobicContact CB-CD1 4.05Å; R42-Y46 HydrophobicContact CG-CD1 4.09Å; R42-Y46 HydrophobicContact CG-CE1 4.12Å; R42-D72 VanDerWaalsContact CZ-CG 3.43Å; R42-D72 IonicContact CZ-OD1 3.52Å; R42-D72 IonicContact CZ-OD2 3.42Å; R42-D72 IonicContact NE-OD1 3.11Å; R42-D72 PolarHBondContact NE-OD1 3.35Å; R42-D72 IonicContact NH1-OD1 2.73Å; R42-D72 PolarHBondContact NH1-OD1 3.19Å; R42-D72 IonicContact NH1-OD2 3.86Å; R42-D72 IonicContact NH2-OD1 3.35Å; R42-D72 PolarHBondContact NH2-OD1 3.47Å; R42-D72 IonicContact NH2-OD2 2.78Å; R42-D72 PolarHBondContact NH2-OD2 3.47Å; R42-M75 HydrophobicContact CB-SD 4.49Å; R42-M75 HydrophobicContact CG-SD 4.48Å; R42-Y196 WeakPolarHBondContact CA-O 3.18Å; R42-Y196 WeakPolarHBondContact CD-O 3.4Å; R42-Y197 PolarHBondContact NH2-OH 3.38Å
43	T	67.3	Low	75.6	Confident	32 Å²	32	48.5 Å²	48.5	20%	0.196	25%	0.252	C	S	.	.			trans	-58.4	134	-178.4	67.8	0	0	0	0	108.6	S41 E45 Y46 K47 I195 Y196	S41-T43 PolarHBondContact O-N 3.34Å; T43-E45 PolarHBondContact O-N 3.06Å; T43-E45 VanDerWaalsContact O-N 3.11Å; T43-Y46 PolarHBondContact O-N 2.94Å; T43-Y46 WeakPolarHBondContact OG1-CB 3.28Å; T43-Y46 PolarHBondContact OG1-N 3.43Å; T43-Y46 VanDerWaalsContact OG1-N 3.14Å; T43-K47 PolarHBondContact O-N 3.12Å; T43-I195 VanDerWaalsContact CG2-O 3.25Å; T43-I195 WeakPolarHBondContact CG2-O 3.47Å; T43-I195 PolarHBondContact OG1-O 3.48Å; T43-Y196 PolarHBondContact N-O 3.31Å
44	Q	79.7	Confident	77.1	Confident	131 Å²	131	44.5 Å²	44.5	61%	0.612	23%	0.234	S	C	*	.	H	α-helix	trans	-57.5	-29.7	179.3	-173	60.3	39.8	0	0	110.8	R42 S48	R42-Q44 PolarHBondContact O-N 3Å; Q44-S48 PolarHBondContact NE2-OG 2.94Å; Q44-S48 WeakPolarHBondContact O-CB 3.41Å; Q44-S48 PolarHBondContact O-N 3.05Å; Q44-S48 PolarHBondContact O-OG 3.4Å
45	E	82.4	Confident	78.7	Confident	136 Å²	136	48.4 Å²	48.4	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-59.6	-54	171.8	-64.3	-176.3	-172.6	0	0	111.9	T43 S48 W49	T43-E45 PolarHBondContact O-N 3.06Å; T43-E45 VanDerWaalsContact O-N 3.11Å; E45-S48 PolarHBondContact O-N 2.88Å; E45-W49 WeakPolarHBondContact O-CB 3.37Å; E45-W49 PolarHBondContact O-N 3.45Å
46	Y	88.9	Confident	80.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-52.1	176.9	165.3	-119.2	0	0	0	111.9	R42 T43 S48 W49 V50 D72 M75 L139 Y196 F273	R42-Y46 HydrophobicContact CB-CD1 4.05Å; R42-Y46 HydrophobicContact CG-CD1 4.09Å; R42-Y46 HydrophobicContact CG-CE1 4.12Å; T43-Y46 PolarHBondContact O-N 2.94Å; T43-Y46 WeakPolarHBondContact OG1-CB 3.28Å; T43-Y46 PolarHBondContact OG1-N 3.43Å; T43-Y46 VanDerWaalsContact OG1-N 3.14Å; Y46-S48 VanDerWaalsContact C-N 3.33Å; Y46-S48 PolarHBondContact O-N 2.97Å; Y46-W49 PolarHBondContact O-N 3.47Å; Y46-W49 VanDerWaalsContact O-N 3.16Å; Y46-V50 HydrophobicContact CD2-CG2 4.3Å; Y46-V50 HydrophobicContact CE2-CB 4.08Å; Y46-V50 HydrophobicContact CE2-CG2 3.53Å; Y46-V50 PolarHBondContact O-N 3.1Å; Y46-D72 WeakPolarHBondContact CE1-OD1 3.31Å; Y46-D72 PolarHBondContact OH-OD1 3.14Å; Y46-M75 HydrophobicContact CE1-CE 3.95Å; Y46-M75 HydrophobicContact CE1-SD 4.19Å; Y46-L139 HydrophobicContact CE2-CD1 3.98Å; Y46-L139 WeakPolarHBondContact OH-CD1 3.47Å; Y46-Y196 HydrophobicContact CD2-CD1 4.22Å; Y46-Y196 HydrophobicContact CD2-CE1 4.28Å; Y46-Y196 HydrophobicContact CE1-CD1 4.49Å; Y46-Y196 HydrophobicContact CE2-CD1 4.17Å; Y46-Y196 HydrophobicContact CE2-CE1 4.05Å; Y46-Y196 HydrophobicContact CG-CD1 4.37Å; Y46-F273 HydrophobicContact CD2-CD1 4.35Å; Y46-F273 HydrophobicContact CD2-CD2 4.46Å; Y46-F273 AromaticContact CD2-CE1 3.56Å; Y46-F273 HydrophobicContact CD2-CE1 3.56Å; Y46-F273 AromaticContact CD2-CE2 3.69Å; Y46-F273 HydrophobicContact CD2-CE2 3.69Å; Y46-F273 AromaticContact CD2-CZ 3.18Å; Y46-F273 HydrophobicContact CD2-CZ 3.18Å; Y46-F273 HydrophobicContact CE2-CE1 4.01Å; Y46-F273 AromaticContact CE2-CZ 3.87Å; Y46-F273 HydrophobicContact CE2-CZ 3.87Å; Y46-F273 HydrophobicContact CG-CE2 4.07Å; Y46-F273 AromaticContact CG-CZ 3.96Å; Y46-F273 HydrophobicContact CG-CZ 3.96Å
47	K	90.6	Very high	81.8	Confident	47 Å²	47	59.2 Å²	59.2	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-54.8	-51.1	179.5	174.5	170	-179.8	175.2	0	110.8	T43 W49 V51 M75 E79	T43-K47 PolarHBondContact O-N 3.12Å; K47-W49 VanDerWaalsContact C-N 3.29Å; K47-W49 PolarHBondContact O-N 3.19Å; K47-V51 HydrophobicContact CG-CG2 4.28Å; K47-V51 VanDerWaalsContact O-CB 3.32Å; K47-V51 WeakPolarHBondContact O-CB 3.32Å; K47-V51 WeakPolarHBondContact O-CG2 3.38Å; K47-V51 PolarHBondContact O-N 3.4Å; K47-M75 HydrophobicContact CB-SD 3.63Å; K47-M75 HydrophobicContact CD-CG 4Å; K47-M75 HydrophobicContact CD-SD 4.03Å; K47-M75 HydrophobicContact CG-CG 4.1Å; K47-M75 HydrophobicContact CG-SD 3.59Å; K47-M75 VanDerWaalsContact CG-SD 3.59Å; K47-E79 WeakPolarHBondContact CE-OE1 3.1Å; K47-E79 IonicContact NZ-OE1 2.65Å; K47-E79 PolarHBondContact NZ-OE1 3.35Å
48	S	92.1	Very high	83.6	Confident	51 Å²	51	60.5 Å²	60.5	36%	0.357	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-38.8	-178.2	-56.3	0	0	0	0	111.5	Q44 E45 Y46 S52	Q44-S48 PolarHBondContact NE2-OG 2.94Å; Q44-S48 WeakPolarHBondContact O-CB 3.41Å; Q44-S48 PolarHBondContact O-N 3.05Å; Q44-S48 PolarHBondContact O-OG 3.4Å; E45-S48 PolarHBondContact O-N 2.88Å; Y46-S48 VanDerWaalsContact C-N 3.33Å; Y46-S48 PolarHBondContact O-N 2.97Å; S48-S52 WeakPolarHBondContact O-CB 3.47Å; S48-S52 PolarHBondContact O-N 3.01Å; S48-S52 PolarHBondContact O-OG 3.21Å
49	W	95.4	Very high	85.6	Confident	35 Å²	35	56.4 Å²	56.4	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-53.3	179.4	-175.9	95.1	0	0	0	112.3	E45 Y46 K47 S52 L53 I174 Y270 F273 I288 V290	E45-W49 WeakPolarHBondContact O-CB 3.37Å; E45-W49 PolarHBondContact O-N 3.45Å; Y46-W49 PolarHBondContact O-N 3.47Å; Y46-W49 VanDerWaalsContact O-N 3.16Å; K47-W49 VanDerWaalsContact C-N 3.29Å; K47-W49 PolarHBondContact O-N 3.19Å; W49-S52 PolarHBondContact O-N 3.3Å; W49-L53 HydrophobicContact CH2-CD2 3.54Å; W49-L53 HydrophobicContact CZ2-CD2 3.98Å; W49-L53 HydrophobicContact CZ3-CD2 3.89Å; W49-L53 WeakPolarHBondContact O-CB 3.38Å; W49-L53 PolarHBondContact O-N 3.08Å; W49-I174 HydrophobicContact CH2-CG2 4.28Å; W49-I174 HydrophobicContact CZ3-CG2 4.18Å; W49-Y270 HydrophobicContact CH2-CD2 4.41Å; W49-Y270 HydrophobicContact CZ2-CD1 4.25Å; W49-Y270 AromaticContact CZ2-CD2 3.76Å; W49-Y270 HydrophobicContact CZ2-CD2 3.76Å; W49-Y270 HydrophobicContact CZ2-CE1 4.44Å; W49-Y270 AromaticContact CZ2-CE2 3.96Å; W49-Y270 HydrophobicContact CZ2-CE2 3.96Å; W49-Y270 AromaticContact CZ2-CG 3.91Å; W49-Y270 HydrophobicContact CZ2-CG 3.91Å; W49-F273 HydrophobicContact CB-CB 4.17Å; W49-F273 HydrophobicContact CB-CG 4.49Å; W49-F273 HydrophobicContact CD2-CB 4.01Å; W49-F273 AromaticContact CD2-CD1 3.77Å; W49-F273 HydrophobicContact CD2-CD1 3.77Å; W49-F273 HydrophobicContact CD2-CG 4.25Å; W49-F273 AromaticContact CE3-CD1 3.57Å; W49-F273 HydrophobicContact CE3-CD1 3.57Å; W49-F273 HydrophobicContact CE3-CE1 4.15Å; W49-F273 HydrophobicContact CE3-CG 4.42Å; W49-F273 HydrophobicContact CG-CB 3.75Å; W49-F273 HydrophobicContact CG-CD1 4.26Å; W49-F273 HydrophobicContact CG-CG 4.27Å; W49-F273 HydrophobicContact CH2-CD1 4.47Å; W49-F273 AromaticContact CZ3-CD1 3.96Å; W49-F273 HydrophobicContact CZ3-CD1 3.96Å; W49-F273 HydrophobicContact CZ3-CE1 4.35Å; W49-F273 PolarHBondContact NE1-O 2.94Å; W49-F273 VanDerWaalsContact NE1-O 3.07Å; W49-I288 HydrophobicContact CH2-CG2 3.79Å; W49-I288 HydrophobicContact CZ3-CG2 4.22Å; W49-V290 HydrophobicContact CH2-CG2 3.86Å; W49-V290 HydrophobicContact CZ2-CG2 4.31Å
50	V	96.1	Very high	87.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-49.8	-178.4	138.3	0	0	0	0	110	Y46 S52 L53 L54 M75 L76 L139	Y46-V50 HydrophobicContact CD2-CG2 4.3Å; Y46-V50 HydrophobicContact CE2-CB 4.08Å; Y46-V50 HydrophobicContact CE2-CG2 3.53Å; Y46-V50 PolarHBondContact O-N 3.1Å; V50-S52 VanDerWaalsContact C-N 3.33Å; V50-S52 PolarHBondContact O-N 3.3Å; V50-L53 PolarHBondContact O-N 3.25Å; V50-L53 VanDerWaalsContact O-N 3.17Å; V50-L54 HydrophobicContact CG1-CD1 3.95Å; V50-L54 HydrophobicContact CG1-CG 4.49Å; V50-L54 VanDerWaalsContact O-CG 3.29Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 3.06Å; V50-M75 HydrophobicContact CG1-CE 3.96Å; V50-L76 HydrophobicContact CG1-CD2 3.82Å; V50-L139 HydrophobicContact CG2-CD1 4.1Å
51	V	96.9	Very high	89.9	Confident	9 Å²	9	58.7 Å²	58.7	6%	0.055	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-42.3	-177.1	172.6	0	0	0	0	110.9	K47 L54 K55 L76 E79 F81	K47-V51 HydrophobicContact CG-CG2 4.28Å; K47-V51 VanDerWaalsContact O-CB 3.32Å; K47-V51 WeakPolarHBondContact O-CB 3.32Å; K47-V51 WeakPolarHBondContact O-CG2 3.38Å; K47-V51 PolarHBondContact O-N 3.4Å; V51-L54 PolarHBondContact O-N 3.45Å; V51-K55 HydrophobicContact CG1-CD 3.84Å; V51-K55 HydrophobicContact CG1-CG 4.43Å; V51-K55 WeakPolarHBondContact O-CB 3.47Å; V51-K55 WeakPolarHBondContact O-CG 3.44Å; V51-K55 PolarHBondContact O-N 3.36Å; V51-L76 HydrophobicContact CG2-CD2 4.19Å; V51-E79 HydrophobicContact CG1-CG 4.42Å; V51-E79 HydrophobicContact CG2-CB 4.36Å; V51-E79 HydrophobicContact CG2-CG 3.8Å; V51-F81 HydrophobicContact CG1-CE2 4.34Å
52	S	97.2	Very high	92	Very high	53 Å²	53	57.4 Å²	57.4	37%	0.371	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-39.3	177.4	-61.6	0	0	0	0	111.9	S48 W49 V50 R56	S48-S52 WeakPolarHBondContact O-CB 3.47Å; S48-S52 PolarHBondContact O-N 3.01Å; S48-S52 PolarHBondContact O-OG 3.21Å; W49-S52 PolarHBondContact O-N 3.3Å; V50-S52 VanDerWaalsContact C-N 3.33Å; V50-S52 PolarHBondContact O-N 3.3Å; S52-R56 WeakPolarHBondContact O-CB 3.45Å; S52-R56 VanDerWaalsContact O-CG 3.28Å; S52-R56 WeakPolarHBondContact O-CG 3.42Å; S52-R56 PolarHBondContact O-N 2.85Å
53	L	97.8	Very high	93.4	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-51	176.3	-177.1	65.9	0	0	0	110.8	W49 V50 K55 R56 H57 I172 I174 V290	W49-L53 HydrophobicContact CH2-CD2 3.54Å; W49-L53 HydrophobicContact CZ2-CD2 3.98Å; W49-L53 HydrophobicContact CZ3-CD2 3.89Å; W49-L53 WeakPolarHBondContact O-CB 3.38Å; W49-L53 PolarHBondContact O-N 3.08Å; V50-L53 PolarHBondContact O-N 3.25Å; V50-L53 VanDerWaalsContact O-N 3.17Å; L53-K55 VanDerWaalsContact C-N 3.34Å; L53-K55 PolarHBondContact O-N 2.81Å; L53-R56 PolarHBondContact O-N 2.95Å; L53-H57 PolarHBondContact O-CD2 2.87Å; L53-H57 VanDerWaalsContact O-CD2 3.29Å; L53-H57 PolarHBondContact O-N 2.87Å; L53-H57 VanDerWaalsContact O-N 3.12Å; L53-I172 HydrophobicContact CG-CD1 4.4Å; L53-I174 HydrophobicContact CD2-CD1 3.74Å; L53-I174 HydrophobicContact CD2-CG1 4.26Å; L53-V290 HydrophobicContact CD2-CG1 4.23Å; L53-V290 HydrophobicContact CD2-CG2 3.82Å
54	L	98.4	Very high	94.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-46.2	178.1	-63.5	176.1	0	0	0	111.4	V50 V51 R56 H57 G58 V59 V62 L76 F81 A135 I172 I174	V50-L54 HydrophobicContact CG1-CD1 3.95Å; V50-L54 HydrophobicContact CG1-CG 4.49Å; V50-L54 VanDerWaalsContact O-CG 3.29Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 3.06Å; V51-L54 PolarHBondContact O-N 3.45Å; L54-R56 PolarHBondContact O-N 2.64Å; L54-H57 PolarHBondContact O-N 3.03Å; L54-G58 PolarHBondContact O-N 2.86Å; L54-V59 HydrophobicContact CB-CB 4.01Å; L54-V59 HydrophobicContact CB-CG1 4.28Å; L54-V59 HydrophobicContact CB-CG2 4.34Å; L54-V59 HydrophobicContact CD2-CB 4.32Å; L54-V59 HydrophobicContact CD2-CG1 4.05Å; L54-V59 HydrophobicContact CD2-CG2 4.09Å; L54-V59 VanDerWaalsContact O-CB 3.31Å; L54-V59 WeakPolarHBondContact O-CB 3.15Å; L54-V59 WeakPolarHBondContact O-CG2 3.48Å; L54-V59 PolarHBondContact O-N 3.26Å; L54-V62 HydrophobicContact CD1-CG2 4.47Å; L54-L76 HydrophobicContact CD1-CD1 4.07Å; L54-L76 HydrophobicContact CD1-CD2 3.62Å; L54-F81 HydrophobicContact CB-CE1 3.65Å; L54-F81 HydrophobicContact CB-CE2 4.49Å; L54-F81 HydrophobicContact CB-CZ 3.54Å; L54-F81 HydrophobicContact CD1-CE1 4.13Å; L54-F81 HydrophobicContact CD1-CE2 4.11Å; L54-F81 HydrophobicContact CD1-CZ 3.9Å; L54-F81 HydrophobicContact CG-CZ 4.4Å; L54-A135 HydrophobicContact CD2-CB 3.66Å; L54-I172 HydrophobicContact CD2-CD1 4.26Å; L54-I174 HydrophobicContact CD2-CD1 3.92Å
55	K	97.9	Very high	95.8	Very high	118 Å²	118	48.6 Å²	48.6	51%	0.513	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-41.7	177	-74.4	176.1	-179.7	166.1	0	112.4	V51 L53 H57 G58 E79 F81	V51-K55 HydrophobicContact CG1-CD 3.84Å; V51-K55 HydrophobicContact CG1-CG 4.43Å; V51-K55 WeakPolarHBondContact O-CB 3.47Å; V51-K55 WeakPolarHBondContact O-CG 3.44Å; V51-K55 PolarHBondContact O-N 3.36Å; L53-K55 VanDerWaalsContact C-N 3.34Å; L53-K55 PolarHBondContact O-N 2.81Å; K55-H57 VanDerWaalsContact C-N 3.26Å; K55-H57 PolarHBondContact O-N 2.97Å; K55-G58 PolarHBondContact O-N 2.93Å; K55-E79 IonicContact NZ-OE2 3.86Å; K55-E79 PolarHBondContact NZ-OE2 2.81Å; K55-F81 HydrophobicContact CG-CZ 4.14Å
56	R	97.4	Very high	96.6	Very high	163 Å²	163	42.6 Å²	42.6	62%	0.615	21%	0.207	S	C	*	.	H	α-helix	trans	-62.1	-32.4	176.4	-78.7	-168.9	-54.8	-97.2	1	113.1	S52 L53 L54 G58	S52-R56 WeakPolarHBondContact O-CB 3.45Å; S52-R56 VanDerWaalsContact O-CG 3.28Å; S52-R56 WeakPolarHBondContact O-CG 3.42Å; S52-R56 PolarHBondContact O-N 2.85Å; L53-R56 PolarHBondContact O-N 2.95Å; L54-R56 PolarHBondContact O-N 2.64Å; R56-G58 VanDerWaalsContact C-N 3.3Å
57	H	96.7	Very high	96.9	Very high	73 Å²	73	42.7 Å²	42.7	34%	0.338	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	4.4	176	-76.3	-86.5	0	0	0	113.5	L53 L54 K55 V59 I172	L53-H57 PolarHBondContact O-CD2 2.87Å; L53-H57 VanDerWaalsContact O-CD2 3.29Å; L53-H57 PolarHBondContact O-N 2.87Å; L53-H57 VanDerWaalsContact O-N 3.12Å; L54-H57 PolarHBondContact O-N 3.03Å; K55-H57 VanDerWaalsContact C-N 3.26Å; K55-H57 PolarHBondContact O-N 2.97Å; H57-V59 HydrophobicContact CB-CG2 3.95Å; H57-V59 PolarHBondContact O-N 2.93Å; H57-I172 HydrophobicContact CB-CD1 4.19Å
58	G	97.3	Very high	97.1	Very high	49 Å²	49	41 Å²	41	51%	0.505	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	26.8	-179.6	0	0	0	0	0	113.5	L54 K55 R56	L54-G58 PolarHBondContact O-N 2.86Å; K55-G58 PolarHBondContact O-N 2.93Å; R56-G58 VanDerWaalsContact C-N 3.3Å
59	V	98.3	Very high	97	Very high	10 Å²	10	39 Å²	39	6%	0.061	19%	0.188	C	C	.	.			trans	-67.1	136.5	-177.8	170	0	0	0	0	110.6	L54 H57 V62 F81 D134 A135 I172	L54-V59 HydrophobicContact CB-CB 4.01Å; L54-V59 HydrophobicContact CB-CG1 4.28Å; L54-V59 HydrophobicContact CB-CG2 4.34Å; L54-V59 HydrophobicContact CD2-CB 4.32Å; L54-V59 HydrophobicContact CD2-CG1 4.05Å; L54-V59 HydrophobicContact CD2-CG2 4.09Å; L54-V59 VanDerWaalsContact O-CB 3.31Å; L54-V59 WeakPolarHBondContact O-CB 3.15Å; L54-V59 WeakPolarHBondContact O-CG2 3.48Å; L54-V59 PolarHBondContact O-N 3.26Å; H57-V59 HydrophobicContact CB-CG2 3.95Å; H57-V59 PolarHBondContact O-N 2.93Å; V59-V62 HydrophobicContact CG1-CG2 3.46Å; V59-V62 VanDerWaalsContact CG1-CG2 3.46Å; V59-F81 HydrophobicContact CB-CE1 4.31Å; V59-F81 HydrophobicContact CG1-CD1 4.13Å; V59-F81 HydrophobicContact CG1-CE1 4.14Å; V59-F81 WeakPolarHBondContact O-CE1 3.38Å; V59-D134 HydrophobicContact CB-CB 4.14Å; V59-D134 HydrophobicContact CG1-CB 3.87Å; V59-D134 HydrophobicContact CG2-CB 4.12Å; V59-A135 HydrophobicContact CG1-CB 3.82Å; V59-A135 HydrophobicContact CG2-CB 3.93Å; V59-I172 HydrophobicContact CG2-CD1 4.41Å; V59-I172 HydrophobicContact CG2-CG1 4.49Å
60	R	96.7	Very high	96.9	Very high	178 Å²	178	37.3 Å²	37.3	67%	0.672	18%	0.182	S	C	*	.			trans	-123.9	-47.9	171.8	-64	-179.3	-66.3	160.1	-0.1	112	Q82 D134	R60-Q82 PolarHBondContact O-N 2.88Å; R60-D134 WeakPolarHBondContact CA-OD2 3.38Å; R60-D134 PolarHBondContact N-OD2 2.86Å
61	K	97.6	Very high	96.7	Very high	92 Å²	92	38.1 Å²	38.1	40%	0.4	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.3	178.5	-76.2	-175.8	178.5	-176	0	111.5	Q82 Y133 D134 A135	K61-Q82 WeakPolarHBondContact CA-O 3.5Å; K61-Q82 HydrophobicContact CG-CB 3.86Å; K61-Y133 HydrophobicContact CB-CD1 4.41Å; K61-D134 PolarHBondContact N-OD2 3.08Å; K61-D134 WeakPolarHBondContact O-CB 3.32Å; K61-D134 PolarHBondContact O-N 3.02Å; K61-D134 VanDerWaalsContact O-N 3.09Å; K61-A135 PolarHBondContact O-N 2.98Å
62	V	98.6	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.5	-178.5	-173.8	0	0	0	0	109.6	L54 V59 L76 F81 Q82 M83 V84 A135 I137	L54-V62 HydrophobicContact CD1-CG2 4.47Å; V59-V62 HydrophobicContact CG1-CG2 3.46Å; V59-V62 VanDerWaalsContact CG1-CG2 3.46Å; V62-L76 HydrophobicContact CG1-CD1 4.37Å; V62-F81 HydrophobicContact CG2-CB 4.25Å; V62-F81 HydrophobicContact CG2-CD1 4.15Å; V62-F81 HydrophobicContact CG2-CG 4.39Å; V62-Q82 PolarHBondContact N-O 3.29Å; V62-M83 HydrophobicContact CB-CE 3.91Å; V62-M83 HydrophobicContact CB-SD 3.59Å; V62-M83 VanDerWaalsContact CB-SD 3.59Å; V62-M83 HydrophobicContact CG1-CE 3.88Å; V62-M83 HydrophobicContact CG1-SD 4.11Å; V62-M83 HydrophobicContact CG2-SD 4.18Å; V62-V84 PolarHBondContact O-N 3.32Å; V62-A135 VanDerWaalsContact CA-O 3.31Å; V62-A135 WeakPolarHBondContact CA-O 3.46Å; V62-A135 HydrophobicContact CG1-CB 4.33Å; V62-A135 HydrophobicContact CG2-CB 4.33Å; V62-I137 HydrophobicContact CG1-CD1 4.35Å; V62-I137 HydrophobicContact CG1-CG1 4.25Å; V62-I137 HydrophobicContact CG1-CG2 4.07Å
63	L	98.8	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.7	166.2	177	65.6	0	0	0	109.4	V65 V84 V86 I126 Y133 A135 V136 I137 M166	L63-V65 HydrophobicContact CD2-CG1 3.61Å; L63-V65 HydrophobicContact CG-CG1 3.71Å; L63-V84 CarbonylContact C-O 3.23Å; L63-V84 VanDerWaalsContact CA-O 3.31Å; L63-V84 WeakPolarHBondContact CA-O 3.48Å; L63-V84 HydrophobicContact CD1-CB 4.06Å; L63-V84 HydrophobicContact CD1-CG1 3.88Å; L63-V86 HydrophobicContact CD1-CG1 4.46Å; L63-V86 HydrophobicContact CD1-CG2 4.34Å; L63-I126 HydrophobicContact CD1-CD1 3.7Å; L63-I126 HydrophobicContact CD2-CD1 3.72Å; L63-I126 HydrophobicContact CG-CD1 4.38Å; L63-Y133 HydrophobicContact CB-CD1 3.7Å; L63-Y133 HydrophobicContact CB-CD2 3.8Å; L63-Y133 HydrophobicContact CB-CE1 3.89Å; L63-Y133 HydrophobicContact CB-CE2 3.99Å; L63-Y133 HydrophobicContact CB-CG 3.65Å; L63-Y133 HydrophobicContact CD1-CE2 4.42Å; L63-Y133 HydrophobicContact CD2-CD2 3.99Å; L63-Y133 HydrophobicContact CD2-CE2 3.82Å; L63-Y133 HydrophobicContact CG-CD2 4.46Å; L63-Y133 HydrophobicContact CG-CE2 4.3Å; L63-A135 PolarHBondContact N-O 2.72Å; L63-V136 HydrophobicContact CB-CG1 4.43Å; L63-V136 HydrophobicContact CB-CG2 4.25Å; L63-V136 HydrophobicContact CD2-CG1 4.31Å; L63-V136 HydrophobicContact CD2-CG2 4.46Å; L63-V136 HydrophobicContact CG-CG1 4.46Å; L63-V136 CarbonylContact O-C 3.17Å; L63-V136 VanDerWaalsContact O-CA 3.27Å; L63-V136 WeakPolarHBondContact O-CA 3.33Å; L63-I137 PolarHBondContact O-N 2.93Å; L63-M166 HydrophobicContact CD2-CB 3.69Å; L63-M166 HydrophobicContact CD2-CG 3.7Å
64	D	98.8	Very high	96.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.2	168.1	-176.7	-2.4	0	0	0	108.8	A66 C67 S73 M83 V84 S85 V86 I137	D64-A66 VanDerWaalsContact C-N 3.31Å; D64-A66 VanDerWaalsContact OD1-C 3.27Å; D64-A66 PolarHBondContact OD1-N 3.48Å; D64-C67 PolarHBondContact OD1-N 3.18Å; D64-S73 WeakPolarHBondContact CB-OG 3.48Å; D64-S73 PolarHBondContact OD2-OG 3.07Å; D64-M83 HydrophobicContact CB-CE 3.94Å; D64-V84 PolarHBondContact N-O 2.84Å; D64-S85 CarbonylContact O-C 3.47Å; D64-S85 WeakPolarHBondContact O-CA 3.41Å; D64-V86 PolarHBondContact O-N 2.84Å; D64-I137 HydrophobicContact CB-CD1 4.04Å; D64-I137 HydrophobicContact CB-CG1 3.81Å
65	V	98.7	Very high	96.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.176	C	C	.	.	S	Bend	trans	-88.2	0.2	-179.6	-60	0	0	0	0	113.1	L63 V86 W119 L122 V136 I137 C138 I163	L63-V65 HydrophobicContact CD2-CG1 3.61Å; L63-V65 HydrophobicContact CG-CG1 3.71Å; V65-V86 CarbonylContact C-O 3.56Å; V65-V86 VanDerWaalsContact C-O 3.31Å; V65-V86 HydrophobicContact CB-CG2 4.3Å; V65-V86 HydrophobicContact CG1-CG2 4.33Å; V65-W119 PolarHBondContact O-NE1 3.04Å; V65-L122 HydrophobicContact CG1-CD2 3.91Å; V65-V136 HydrophobicContact CG1-CG1 3.8Å; V65-V136 HydrophobicContact CG2-CG1 4.35Å; V65-I137 WeakPolarHBondContact CG2-O 3.39Å; V65-I137 PolarHBondContact N-O 2.92Å; V65-C138 HydrophobicContact CG2-CB 3.6Å; V65-I163 HydrophobicContact CG2-CD1 4.2Å; V65-I163 HydrophobicContact CG2-CG1 4.25Å; V65-I163 HydrophobicContact CG2-CG2 4.38Å
66	A	97.6	Very high	96.3	Very high	10 Å²	10	31.4 Å²	31.4	8%	0.083	15%	0.152	C	C	.	.			trans	-133.8	52	178.9	0	0	0	0	0	109.6	D64 G68 W119 S142	D64-A66 VanDerWaalsContact C-N 3.31Å; D64-A66 VanDerWaalsContact OD1-C 3.27Å; D64-A66 PolarHBondContact OD1-N 3.48Å; A66-G68 PolarHBondContact O-N 3.37Å; A66-G68 VanDerWaalsContact O-N 3.13Å; A66-W119 HydrophobicContact CB-CZ2 4.3Å; A66-S142 VanDerWaalsContact CB-CB 3.48Å
67	C	96.8	Very high	96.3	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.02	12%	0.123	C	C	.	.			trans	-53.3	-39.6	-170.5	175.7	0	0	0	0	112.2	D64 T69 G70 S85 V86 D87 L93	D64-C67 PolarHBondContact OD1-N 3.18Å; C67-T69 PolarHBondContact O-N 3.17Å; C67-G70 VanDerWaalsContact O-CA 3.3Å; C67-G70 WeakPolarHBondContact O-CA 3.33Å; C67-G70 PolarHBondContact O-N 2.93Å; C67-S85 VanDerWaalsContact SG-CB 3.55Å; C67-V86 VanDerWaalsContact CB-O 3.24Å; C67-V86 WeakPolarHBondContact CB-O 3.35Å; C67-V86 PolarHBondContact N-O 3.21Å; C67-D87 HydrophobicContact CB-CB 4.18Å; C67-L93 HydrophobicContact CB-CD2 4.01Å
68	G	93.3	Very high	96.3	Very high	10 Å²	10	24.1 Å²	24.1	10%	0.103	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-128.2	-175.3	0	0	0	0	0	110.9	A66 G70 D87 M92	A66-G68 PolarHBondContact O-N 3.37Å; A66-G68 VanDerWaalsContact O-N 3.13Å; G68-G70 PolarHBondContact O-N 3.43Å; G68-D87 WeakPolarHBondContact CA-OD2 3.47Å; G68-D87 PolarHBondContact N-OD2 2.77Å; G68-M92 CarbonylContact O-C 3.5Å; G68-M92 VanDerWaalsContact O-C 3.23Å
69	T	91.2	Very high	96.3	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.055	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1.6	175.3	57.9	0	0	0	0	114	C67 M92 F95 A96	C67-T69 PolarHBondContact O-N 3.17Å; T69-M92 HydrophobicContact CG2-CE 3.97Å; T69-M92 HydrophobicContact CG2-SD 4.16Å; T69-F95 HydrophobicContact CG2-CB 3.93Å; T69-F95 HydrophobicContact CG2-CD2 4.05Å; T69-F95 HydrophobicContact CG2-CG 4.06Å; T69-A96 WeakPolarHBondContact O-CA 3.28Å; T69-A96 PolarHBondContact O-N 2.86Å
70	G	93.6	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	90.5	7.1	176.5	0	0	0	0	0	115	C67 G68 D72 S73 I74	C67-G70 VanDerWaalsContact O-CA 3.3Å; C67-G70 WeakPolarHBondContact O-CA 3.33Å; C67-G70 PolarHBondContact O-N 2.93Å; G68-G70 PolarHBondContact O-N 3.43Å; G70-D72 PolarHBondContact O-N 3.04Å; G70-S73 PolarHBondContact O-N 2.84Å; G70-I74 WeakPolarHBondContact O-CB 3.15Å; G70-I74 WeakPolarHBondContact O-CD1 3.29Å; G70-I74 WeakPolarHBondContact O-CG1 3.41Å; G70-I74 PolarHBondContact O-N 2.96Å
71	V	91	Very high	96.3	Very high	17 Å²	17	19.5 Å²	19.5	10%	0.103	11%	0.114	C	C	.	.	H	α-helix	trans	-57.7	-42.2	-172	-76.6	0	0	0	0	114.7	I36 I39 M75 Y197	I36-V71 HydrophobicContact CD1-CG1 4.07Å; I39-V71 HydrophobicContact CB-CG1 4.44Å; I39-V71 HydrophobicContact CG2-CG1 4.12Å; V71-M75 PolarHBondContact O-N 2.94Å; V71-Y197 HydrophobicContact CG2-CE1 4.21Å
72	D	93.7	Very high	96.4	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-72.7	-43.5	176.6	-75.6	-42	0	0	0	111.3	R42 Y46 G70 M75 L76 I137	R42-D72 VanDerWaalsContact CZ-CG 3.43Å; R42-D72 IonicContact CZ-OD1 3.52Å; R42-D72 IonicContact CZ-OD2 3.42Å; R42-D72 IonicContact NE-OD1 3.11Å; R42-D72 PolarHBondContact NE-OD1 3.35Å; R42-D72 IonicContact NH1-OD1 2.73Å; R42-D72 PolarHBondContact NH1-OD1 3.19Å; R42-D72 IonicContact NH1-OD2 3.86Å; R42-D72 IonicContact NH2-OD1 3.35Å; R42-D72 PolarHBondContact NH2-OD1 3.47Å; R42-D72 IonicContact NH2-OD2 2.78Å; R42-D72 PolarHBondContact NH2-OD2 3.47Å; Y46-D72 WeakPolarHBondContact CE1-OD1 3.31Å; Y46-D72 PolarHBondContact OH-OD1 3.14Å; G70-D72 PolarHBondContact O-N 3.04Å; D72-M75 WeakPolarHBondContact O-CB 3.27Å; D72-M75 PolarHBondContact O-N 3Å; D72-L76 WeakPolarHBondContact O-CG 3.32Å; D72-L76 PolarHBondContact O-N 2.66Å; D72-I137 HydrophobicContact CB-CD1 4.35Å
73	S	97.2	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-46.3	178.2	-73.3	0	0	0	0	112.6	D64 G70 M75 L76 V77 S85	D64-S73 WeakPolarHBondContact CB-OG 3.48Å; D64-S73 PolarHBondContact OD2-OG 3.07Å; G70-S73 PolarHBondContact O-N 2.84Å; S73-M75 PolarHBondContact O-N 3.5Å; S73-L76 PolarHBondContact O-N 3.27Å; S73-L76 VanDerWaalsContact O-N 3.15Å; S73-V77 VanDerWaalsContact O-CG2 3.32Å; S73-V77 WeakPolarHBondContact O-CG2 3.37Å; S73-V77 PolarHBondContact O-N 2.91Å; S73-S85 VanDerWaalsContact CB-OG 3.28Å; S73-S85 WeakPolarHBondContact CB-OG 3.34Å; S73-S85 WeakPolarHBondContact OG-CB 3.24Å; S73-S85 PolarHBondContact OG-OG 3.22Å
74	I	96	Very high	96.3	Very high	27 Å²	27	21.3 Å²	21.3	14%	0.138	13%	0.126	C	C	.	.	H	α-helix	trans	-57.5	-48.5	176.4	-70	164	0	0	0	110.4	G70 L76 V77 E78 A99 F109 W112	G70-I74 WeakPolarHBondContact O-CB 3.15Å; G70-I74 WeakPolarHBondContact O-CD1 3.29Å; G70-I74 WeakPolarHBondContact O-CG1 3.41Å; G70-I74 PolarHBondContact O-N 2.96Å; I74-L76 VanDerWaalsContact C-N 3.28Å; I74-L76 PolarHBondContact O-N 2.89Å; I74-V77 PolarHBondContact O-N 2.9Å; I74-E78 WeakPolarHBondContact O-CG 3.39Å; I74-E78 PolarHBondContact O-N 3.3Å; I74-A99 HydrophobicContact CD1-CB 3.7Å; I74-F109 HydrophobicContact CG1-CE1 4.27Å; I74-F109 HydrophobicContact CG2-CE1 4.18Å; I74-F109 HydrophobicContact CG2-CZ 4.06Å; I74-W112 HydrophobicContact CD1-CH2 4.33Å; I74-W112 HydrophobicContact CG1-CH2 3.67Å; I74-W112 HydrophobicContact CG1-CZ3 3.75Å
75	M	95.1	Very high	96.3	Very high	10 Å²	10	21.2 Å²	21.2	5%	0.049	13%	0.125	C	C	.	.	H	α-helix	trans	-57.5	-41.2	177.5	177.3	-167.6	71.8	0	0	111.7	R42 Y46 K47 V50 V71 D72 S73 E79	R42-M75 HydrophobicContact CB-SD 4.49Å; R42-M75 HydrophobicContact CG-SD 4.48Å; Y46-M75 HydrophobicContact CE1-CE 3.95Å; Y46-M75 HydrophobicContact CE1-SD 4.19Å; K47-M75 HydrophobicContact CB-SD 3.63Å; K47-M75 HydrophobicContact CD-CG 4Å; K47-M75 HydrophobicContact CD-SD 4.03Å; K47-M75 HydrophobicContact CG-CG 4.1Å; K47-M75 HydrophobicContact CG-SD 3.59Å; K47-M75 VanDerWaalsContact CG-SD 3.59Å; V50-M75 HydrophobicContact CG1-CE 3.96Å; V71-M75 PolarHBondContact O-N 2.94Å; D72-M75 WeakPolarHBondContact O-CB 3.27Å; D72-M75 PolarHBondContact O-N 3Å; S73-M75 PolarHBondContact O-N 3.5Å; M75-E79 VanDerWaalsContact O-CG 3.29Å; M75-E79 WeakPolarHBondContact O-CG 3.44Å; M75-E79 PolarHBondContact O-N 3.12Å
76	L	97.4	Very high	96.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-76.9	-33.2	-179.7	-67.2	179.1	0	0	0	113	V50 V51 L54 V62 D72 S73 I74 E78 E79 G80 F81 M83 I137	V50-L76 HydrophobicContact CG1-CD2 3.82Å; V51-L76 HydrophobicContact CG2-CD2 4.19Å; L54-L76 HydrophobicContact CD1-CD1 4.07Å; L54-L76 HydrophobicContact CD1-CD2 3.62Å; V62-L76 HydrophobicContact CG1-CD1 4.37Å; D72-L76 WeakPolarHBondContact O-CG 3.32Å; D72-L76 PolarHBondContact O-N 2.66Å; S73-L76 PolarHBondContact O-N 3.27Å; S73-L76 VanDerWaalsContact O-N 3.15Å; I74-L76 VanDerWaalsContact C-N 3.28Å; I74-L76 PolarHBondContact O-N 2.89Å; L76-E78 VanDerWaalsContact C-N 3.32Å; L76-E79 PolarHBondContact O-N 2.85Å; L76-G80 PolarHBondContact O-N 3.36Å; L76-F81 HydrophobicContact CB-CB 4.29Å; L76-F81 HydrophobicContact CB-CD2 4.06Å; L76-F81 HydrophobicContact CD2-CD2 3.74Å; L76-F81 HydrophobicContact CD2-CE2 3.87Å; L76-F81 HydrophobicContact CG-CD2 4.48Å; L76-F81 WeakPolarHBondContact O-CB 3.36Å; L76-F81 WeakPolarHBondContact O-CD2 3.41Å; L76-F81 PolarHBondContact O-N 3.49Å; L76-M83 HydrophobicContact CB-CE 4.37Å; L76-M83 HydrophobicContact CB-CG 4.12Å; L76-M83 HydrophobicContact CB-SD 3.46Å; L76-M83 WeakPolarHBondContact CB-SD 3.37Å; L76-M83 HydrophobicContact CD1-CE 4.06Å; L76-M83 HydrophobicContact CD1-SD 3.89Å; L76-M83 HydrophobicContact CG-SD 4.33Å; L76-I137 HydrophobicContact CD1-CD1 3.75Å
77	V	98.1	Very high	96.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-45.9	169.6	171.8	0	0	0	0	110.1	S73 I74 E79 G80 M83 A108 F109 W112	S73-V77 VanDerWaalsContact O-CG2 3.32Å; S73-V77 WeakPolarHBondContact O-CG2 3.37Å; S73-V77 PolarHBondContact O-N 2.91Å; I74-V77 PolarHBondContact O-N 2.9Å; V77-E79 VanDerWaalsContact C-N 3.26Å; V77-E79 PolarHBondContact O-N 3.4Å; V77-G80 PolarHBondContact O-N 3.06Å; V77-M83 HydrophobicContact CG2-CB 3.81Å; V77-M83 HydrophobicContact CG2-CG 3.52Å; V77-A108 HydrophobicContact CG1-CB 3.7Å; V77-F109 HydrophobicContact CB-CE2 4.42Å; V77-F109 HydrophobicContact CB-CZ 4.21Å; V77-F109 HydrophobicContact CG1-CD1 4.25Å; V77-F109 HydrophobicContact CG1-CD2 3.72Å; V77-F109 HydrophobicContact CG1-CE1 4.16Å; V77-F109 HydrophobicContact CG1-CE2 3.59Å; V77-F109 HydrophobicContact CG1-CG 4.02Å; V77-F109 HydrophobicContact CG1-CZ 3.81Å; V77-W112 HydrophobicContact CG2-CB 3.92Å; V77-W112 HydrophobicContact CG2-CD2 4Å; V77-W112 HydrophobicContact CG2-CE3 4.46Å; V77-W112 HydrophobicContact CG2-CG 3.74Å
78	E	96.4	Very high	96.1	Very high	80 Å²	80	22.6 Å²	22.6	37%	0.374	13%	0.134	S	C	.	.	H	α-helix	trans	-62.7	-31.8	177.6	-71	174.6	163	0	0	113.2	I74 L76 G80 R103 F109	I74-E78 WeakPolarHBondContact O-CG 3.39Å; I74-E78 PolarHBondContact O-N 3.3Å; L76-E78 VanDerWaalsContact C-N 3.32Å; E78-G80 PolarHBondContact O-N 3.34Å; E78-R103 IonicContact OE1-CZ 2.94Å; E78-R103 IonicContact OE1-NH1 2.68Å; E78-R103 PolarHBondContact OE1-NH1 3.37Å; E78-R103 IonicContact OE1-NH2 3.52Å; E78-R103 PolarHBondContact OE1-NH2 3.41Å; E78-F109 HydrophobicContact CG-CE2 4.14Å; E78-F109 HydrophobicContact CG-CZ 4.02Å
79	E	97.2	Very high	95.9	Very high	62 Å²	62	22.2 Å²	22.2	29%	0.29	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2.5	176.2	-68.8	-70.7	148.7	0	0	113.3	K47 V51 K55 M75 L76 V77 F81	K47-E79 WeakPolarHBondContact CE-OE1 3.1Å; K47-E79 IonicContact NZ-OE1 2.65Å; K47-E79 PolarHBondContact NZ-OE1 3.35Å; V51-E79 HydrophobicContact CG1-CG 4.42Å; V51-E79 HydrophobicContact CG2-CB 4.36Å; V51-E79 HydrophobicContact CG2-CG 3.8Å; K55-E79 IonicContact NZ-OE2 3.86Å; K55-E79 PolarHBondContact NZ-OE2 2.81Å; M75-E79 VanDerWaalsContact O-CG 3.29Å; M75-E79 WeakPolarHBondContact O-CG 3.44Å; M75-E79 PolarHBondContact O-N 3.12Å; L76-E79 PolarHBondContact O-N 2.85Å; V77-E79 VanDerWaalsContact C-N 3.26Å; V77-E79 PolarHBondContact O-N 3.4Å; E79-F81 HydrophobicContact CB-CD2 3.92Å; E79-F81 HydrophobicContact CB-CE2 3.88Å
80	G	97.7	Very high	95.7	Very high	63 Å²	63	25.7 Å²	25.7	65%	0.649	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	14.1	173.1	0	0	0	0	0	115.3	L76 V77 E78	L76-G80 PolarHBondContact O-N 3.36Å; V77-G80 PolarHBondContact O-N 3.06Å; E78-G80 PolarHBondContact O-N 3.34Å
81	F	98.4	Very high	95.3	Very high	16 Å²	16	29.3 Å²	29.3	7%	0.07	16%	0.163	C	C	.	.			trans	-78.5	146.7	173.4	-63.5	-82	0	0	0	111.3	V51 L54 K55 V59 V62 L76 E79 M83	V51-F81 HydrophobicContact CG1-CE2 4.34Å; L54-F81 HydrophobicContact CB-CE1 3.65Å; L54-F81 HydrophobicContact CB-CE2 4.49Å; L54-F81 HydrophobicContact CB-CZ 3.54Å; L54-F81 HydrophobicContact CD1-CE1 4.13Å; L54-F81 HydrophobicContact CD1-CE2 4.11Å; L54-F81 HydrophobicContact CD1-CZ 3.9Å; L54-F81 HydrophobicContact CG-CZ 4.4Å; K55-F81 HydrophobicContact CG-CZ 4.14Å; V59-F81 HydrophobicContact CB-CE1 4.31Å; V59-F81 HydrophobicContact CG1-CD1 4.13Å; V59-F81 HydrophobicContact CG1-CE1 4.14Å; V59-F81 WeakPolarHBondContact O-CE1 3.38Å; V62-F81 HydrophobicContact CG2-CB 4.25Å; V62-F81 HydrophobicContact CG2-CD1 4.15Å; V62-F81 HydrophobicContact CG2-CG 4.39Å; L76-F81 HydrophobicContact CB-CB 4.29Å; L76-F81 HydrophobicContact CB-CD2 4.06Å; L76-F81 HydrophobicContact CD2-CD2 3.74Å; L76-F81 HydrophobicContact CD2-CE2 3.87Å; L76-F81 HydrophobicContact CG-CD2 4.48Å; L76-F81 WeakPolarHBondContact O-CB 3.36Å; L76-F81 WeakPolarHBondContact O-CD2 3.41Å; L76-F81 PolarHBondContact O-N 3.49Å; E79-F81 HydrophobicContact CB-CD2 3.92Å; E79-F81 HydrophobicContact CB-CE2 3.88Å; F81-M83 HydrophobicContact CB-SD 4.12Å; F81-M83 PolarHBondContact O-N 3.1Å
82	Q	98.1	Very high	95.1	Very high	98 Å²	98	28.7 Å²	28.7	46%	0.458	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	102.3	172.9	-67.3	-179.2	-7	0	0	109	R60 K61 V62	R60-Q82 PolarHBondContact O-N 2.88Å; K61-Q82 WeakPolarHBondContact CA-O 3.5Å; K61-Q82 HydrophobicContact CG-CB 3.86Å; V62-Q82 PolarHBondContact N-O 3.29Å
83	M	98.1	Very high	95	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.025	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.2	-174.6	-64.4	-56.2	-54.9	0	0	112.3	V62 D64 L76 V77 F81 W112 V113	V62-M83 HydrophobicContact CB-CE 3.91Å; V62-M83 HydrophobicContact CB-SD 3.59Å; V62-M83 VanDerWaalsContact CB-SD 3.59Å; V62-M83 HydrophobicContact CG1-CE 3.88Å; V62-M83 HydrophobicContact CG1-SD 4.11Å; V62-M83 HydrophobicContact CG2-SD 4.18Å; D64-M83 HydrophobicContact CB-CE 3.94Å; L76-M83 HydrophobicContact CB-CE 4.37Å; L76-M83 HydrophobicContact CB-CG 4.12Å; L76-M83 HydrophobicContact CB-SD 3.46Å; L76-M83 WeakPolarHBondContact CB-SD 3.37Å; L76-M83 HydrophobicContact CD1-CE 4.06Å; L76-M83 HydrophobicContact CD1-SD 3.89Å; L76-M83 HydrophobicContact CG-SD 4.33Å; V77-M83 HydrophobicContact CG2-CB 3.81Å; V77-M83 HydrophobicContact CG2-CG 3.52Å; F81-M83 HydrophobicContact CB-SD 4.12Å; F81-M83 PolarHBondContact O-N 3.1Å; M83-W112 HydrophobicContact CB-CG 4.37Å; M83-V113 PolarHBondContact O-N 3.03Å; M83-V113 VanDerWaalsContact O-N 3.11Å
84	V	98.6	Very high	94.8	Very high	26 Å²	26	35.7 Å²	35.7	16%	0.158	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130	154.3	-178.5	0	0	0	0	106.4	V62 L63 D64 V113 Y133	V62-V84 PolarHBondContact O-N 3.32Å; L63-V84 CarbonylContact C-O 3.23Å; L63-V84 VanDerWaalsContact CA-O 3.31Å; L63-V84 WeakPolarHBondContact CA-O 3.48Å; L63-V84 HydrophobicContact CD1-CB 4.06Å; L63-V84 HydrophobicContact CD1-CG1 3.88Å; D64-V84 PolarHBondContact N-O 2.84Å; V84-V113 CarbonylContact C-O 3.46Å; V84-V113 WeakPolarHBondContact CA-O 3.5Å; V84-V113 HydrophobicContact CB-CB 4.39Å; V84-V113 HydrophobicContact CG1-CB 4.2Å; V84-V113 HydrophobicContact CG1-CG1 4.04Å; V84-V113 HydrophobicContact CG2-CB 4.08Å; V84-V113 HydrophobicContact CG2-CG2 4.46Å; V84-Y133 HydrophobicContact CB-CE1 3.94Å; V84-Y133 HydrophobicContact CG2-CE1 3.75Å
85	S	98.7	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.3	-174.9	-49.6	0	0	0	0	110.2	D64 C67 S73 W112 V113 I114 E115	D64-S85 CarbonylContact O-C 3.47Å; D64-S85 WeakPolarHBondContact O-CA 3.41Å; C67-S85 VanDerWaalsContact SG-CB 3.55Å; S73-S85 VanDerWaalsContact CB-OG 3.28Å; S73-S85 WeakPolarHBondContact CB-OG 3.34Å; S73-S85 WeakPolarHBondContact OG-CB 3.24Å; S73-S85 PolarHBondContact OG-OG 3.22Å; S85-W112 PolarHBondContact OG-NE1 2.94Å; S85-V113 PolarHBondContact N-O 3.47Å; S85-I114 VanDerWaalsContact O-CA 3.31Å; S85-I114 WeakPolarHBondContact O-CA 3.41Å; S85-E115 PolarHBondContact O-N 2.89Å
86	V	98.4	Very high	94.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.4	-179.7	-58.1	0	0	0	0	112.1	L63 D64 V65 C67 E115 A117 L122 I126	L63-V86 HydrophobicContact CD1-CG1 4.46Å; L63-V86 HydrophobicContact CD1-CG2 4.34Å; D64-V86 PolarHBondContact O-N 2.84Å; V65-V86 CarbonylContact C-O 3.56Å; V65-V86 VanDerWaalsContact C-O 3.31Å; V65-V86 HydrophobicContact CB-CG2 4.3Å; V65-V86 HydrophobicContact CG1-CG2 4.33Å; C67-V86 VanDerWaalsContact CB-O 3.24Å; C67-V86 WeakPolarHBondContact CB-O 3.35Å; C67-V86 PolarHBondContact N-O 3.21Å; V86-E115 VanDerWaalsContact CA-O 3.27Å; V86-E115 WeakPolarHBondContact CA-O 3.4Å; V86-E115 HydrophobicContact CG1-CB 4.21Å; V86-A117 HydrophobicContact CB-CB 3.67Å; V86-A117 HydrophobicContact CG1-CB 3.92Å; V86-A117 HydrophobicContact CG2-CB 3.91Å; V86-L122 HydrophobicContact CG2-CD1 4.04Å; V86-I126 HydrophobicContact CG1-CG2 3.68Å
87	D	97	Very high	94.4	Very high	24 Å²	24	39.9 Å²	39.9	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155.8	171.7	-155.3	-73.2	0	0	0	108.9	C67 G68 S89 L93 E116 A117	C67-D87 HydrophobicContact CB-CB 4.18Å; G68-D87 WeakPolarHBondContact CA-OD2 3.47Å; G68-D87 PolarHBondContact N-OD2 2.77Å; D87-S89 WeakPolarHBondContact OD1-CB 3.24Å; D87-S89 PolarHBondContact OD1-N 2.88Å; D87-L93 HydrophobicContact CB-CD1 4.26Å; D87-L93 HydrophobicContact CB-CD2 3.55Å; D87-L93 HydrophobicContact CB-CG 3.74Å; D87-E116 WeakPolarHBondContact O-CA 3.32Å; D87-A117 CarbonylContact C-O 3.56Å; D87-A117 PolarHBondContact O-N 3.09Å; D87-A117 VanDerWaalsContact O-N 3.09Å
88	A	92.9	Very high	94.3	Very high	18 Å²	18	45.4 Å²	45.4	15%	0.149	23%	0.234	C	C	.	.	S	Bend	trans	-84.7	-16.5	174.8	0	0	0	0	0	112.1	A16 L19 A117 N118	A16-A88 HydrophobicContact CB-CB 4.47Å; L19-A88 HydrophobicContact CD2-CB 3.77Å; A88-A117 WeakPolarHBondContact CA-O 3.29Å; A88-A117 PolarHBondContact N-O 3.19Å; A88-A117 VanDerWaalsContact N-O 3.16Å; A88-N118 HydrophobicContact CB-CB 4.42Å
89	S	89.2	Confident	94.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	22%	0.224	C	C	.	.			trans	-95.1	105.8	-179.1	-173.4	0	0	0	0	111.8	D21 D87 K91 M92 L93	D21-S89 PolarHBondContact OD1-OG 3.11Å; D21-S89 PolarHBondContact OD2-OG 2.76Å; D87-S89 WeakPolarHBondContact OD1-CB 3.24Å; D87-S89 PolarHBondContact OD1-N 2.88Å; S89-K91 PolarHBondContact O-N 2.86Å; S89-K91 VanDerWaalsContact O-N 3.16Å; S89-M92 PolarHBondContact O-N 2.96Å; S89-L93 PolarHBondContact O-N 3.11Å
90	D	86.1	Confident	94.2	Very high	82 Å²	82	43 Å²	43	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-55.2	-32.7	172.5	81.3	-38.2	0	0	0	112.2	M92 K94	D90-M92 VanDerWaalsContact C-N 3.34Å; D90-M92 PolarHBondContact O-N 3.29Å; D90-K94 WeakPolarHBondContact O-CB 3.44Å; D90-K94 PolarHBondContact O-N 2.83Å
91	K	86.4	Confident	94.3	Very high	75 Å²	75	47.9 Å²	47.9	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-65.6	-36.2	178	-63.4	-63.9	166.4	-73.9	0	112.3	A29 S89 F95	A29-K91 HydrophobicContact CB-CB 4.43Å; S89-K91 PolarHBondContact O-N 2.86Å; S89-K91 VanDerWaalsContact O-N 3.16Å; K91-F95 VanDerWaalsContact O-CD2 3.31Å; K91-F95 WeakPolarHBondContact O-CD2 3.39Å; K91-F95 WeakPolarHBondContact O-CE2 3.48Å
92	M	86.4	Confident	94.2	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-78.9	-47.8	177.2	-64.8	-69.5	-80.2	0	0	110.4	Y23 A29 W32 G68 T69 S89 D90 K94 F95	Y23-M92 HydrophobicContact CD1-CG 4.34Å; Y23-M92 HydrophobicContact CD1-SD 3.97Å; Y23-M92 HydrophobicContact CD2-CG 4.34Å; Y23-M92 HydrophobicContact CE1-CE 4.33Å; Y23-M92 HydrophobicContact CE1-SD 4.39Å; Y23-M92 HydrophobicContact CG-CG 4.05Å; Y23-M92 HydrophobicContact CG-SD 4.28Å; A29-M92 HydrophobicContact CB-SD 3.82Å; W32-M92 HydrophobicContact CG-CE 4.25Å; G68-M92 CarbonylContact O-C 3.5Å; G68-M92 VanDerWaalsContact O-C 3.23Å; T69-M92 HydrophobicContact CG2-CE 3.97Å; T69-M92 HydrophobicContact CG2-SD 4.16Å; S89-M92 PolarHBondContact O-N 2.96Å; D90-M92 VanDerWaalsContact C-N 3.34Å; D90-M92 PolarHBondContact O-N 3.29Å; M92-K94 PolarHBondContact O-N 3.33Å; M92-K94 VanDerWaalsContact O-N 3.13Å; M92-F95 PolarHBondContact O-N 3.5Å
93	L	91.8	Very high	94.2	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-31.8	178.5	-72.1	-176.9	0	0	0	113.3	C67 D87 S89 F95 A96 L97 I114 E115 E116	C67-L93 HydrophobicContact CB-CD2 4.01Å; D87-L93 HydrophobicContact CB-CD1 4.26Å; D87-L93 HydrophobicContact CB-CD2 3.55Å; D87-L93 HydrophobicContact CB-CG 3.74Å; S89-L93 PolarHBondContact O-N 3.11Å; L93-F95 PolarHBondContact O-N 3.1Å; L93-F95 VanDerWaalsContact O-N 3.1Å; L93-A96 PolarHBondContact O-N 3.34Å; L93-A96 VanDerWaalsContact O-N 3.08Å; L93-L97 HydrophobicContact CB-CD1 4.49Å; L93-L97 WeakPolarHBondContact O-CB 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.31Å; L93-L97 PolarHBondContact O-N 3.32Å; L93-I114 HydrophobicContact CD2-CG2 3.83Å; L93-E115 WeakPolarHBondContact CD1-O 3.22Å; L93-E116 HydrophobicContact CD1-CB 4.16Å
94	K	92.4	Very high	94.2	Very high	144 Å²	144	55.4 Å²	55.4	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-48	-39.2	173.4	-179.8	-178.4	174.5	-178.9	0	112.9	D90 M92 K98	D90-K94 WeakPolarHBondContact O-CB 3.44Å; D90-K94 PolarHBondContact O-N 2.83Å; M92-K94 PolarHBondContact O-N 3.33Å; M92-K94 VanDerWaalsContact O-N 3.13Å; K94-K98 WeakPolarHBondContact O-CB 3.36Å; K94-K98 PolarHBondContact O-N 3.46Å; K94-K98 VanDerWaalsContact O-N 3.09Å
95	F	90.4	Very high	94.2	Very high	43 Å²	43	63 Å²	63	19%	0.189	28%	0.282	C	S	.	.	H	α-helix	trans	-74.9	-42	-179.5	-66.5	-91.8	0	0	0	111.9	A29 E33 T69 K91 M92 L93 K98 A99	A29-F95 HydrophobicContact CB-CE2 4.06Å; E33-F95 VanDerWaalsContact OE1-CD1 3.25Å; E33-F95 WeakPolarHBondContact OE1-CD1 3.48Å; T69-F95 HydrophobicContact CG2-CB 3.93Å; T69-F95 HydrophobicContact CG2-CD2 4.05Å; T69-F95 HydrophobicContact CG2-CG 4.06Å; K91-F95 VanDerWaalsContact O-CD2 3.31Å; K91-F95 WeakPolarHBondContact O-CD2 3.39Å; K91-F95 WeakPolarHBondContact O-CE2 3.48Å; M92-F95 PolarHBondContact O-N 3.5Å; L93-F95 PolarHBondContact O-N 3.1Å; L93-F95 VanDerWaalsContact O-N 3.1Å; F95-K98 WeakPolarHBondContact O-CB 3.25Å; F95-K98 PolarHBondContact O-N 3.49Å; F95-A99 PolarHBondContact O-N 2.91Å
96	A	93.9	Very high	94.1	Very high	0 Å²	0	67 Å²	67	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-46.1	175.4	0	0	0	0	0	111.3	T69 L93 K98 A99 R100 W112 I114	T69-A96 WeakPolarHBondContact O-CA 3.28Å; T69-A96 PolarHBondContact O-N 2.86Å; L93-A96 PolarHBondContact O-N 3.34Å; L93-A96 VanDerWaalsContact O-N 3.08Å; A96-K98 VanDerWaalsContact C-N 3.32Å; A96-K98 PolarHBondContact O-N 2.92Å; A96-A99 PolarHBondContact O-N 3.18Å; A96-R100 PolarHBondContact O-N 3.16Å; A96-W112 HydrophobicContact CB-CH2 3.91Å; A96-W112 HydrophobicContact CB-CZ2 4.22Å; A96-I114 HydrophobicContact CB-CD1 4Å; A96-I114 HydrophobicContact CB-CG2 4.48Å
97	L	96.9	Very high	94.1	Very high	82 Å²	82	70.2 Å²	70.2	43%	0.429	33%	0.327	S	S	.	.	H	α-helix	trans	-60.3	-40.7	175.6	-72	167	0	0	0	112	L93 W101 I114	L93-L97 HydrophobicContact CB-CD1 4.49Å; L93-L97 WeakPolarHBondContact O-CB 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.31Å; L93-L97 PolarHBondContact O-N 3.32Å; L97-W101 WeakPolarHBondContact O-CB 3.33Å; L97-W101 PolarHBondContact O-N 3.12Å; L97-I114 HydrophobicContact CD2-CB 3.96Å; L97-I114 HydrophobicContact CD2-CD1 4.21Å; L97-I114 HydrophobicContact CD2-CG2 4.01Å; L97-I114 HydrophobicContact CG-CG2 4.14Å
98	K	95.6	Very high	94.2	Very high	119 Å²	119	71.2 Å²	71.2	52%	0.517	34%	0.338	S	S	.	.	H	α-helix	trans	-63.1	-47.3	175.2	-177.4	-176.8	168.7	-164.3	0	111.4	K94 F95 A96 R100 W101 E102	K94-K98 WeakPolarHBondContact O-CB 3.36Å; K94-K98 PolarHBondContact O-N 3.46Å; K94-K98 VanDerWaalsContact O-N 3.09Å; F95-K98 WeakPolarHBondContact O-CB 3.25Å; F95-K98 PolarHBondContact O-N 3.49Å; A96-K98 VanDerWaalsContact C-N 3.32Å; A96-K98 PolarHBondContact O-N 2.92Å; K98-R100 PolarHBondContact O-N 3.38Å; K98-W101 PolarHBondContact O-N 3.19Å; K98-E102 WeakPolarHBondContact CE-OE1 3.33Å; K98-E102 IonicContact NZ-OE1 2.9Å; K98-E102 WeakPolarHBondContact O-CG 3.46Å; K98-E102 PolarHBondContact O-N 3.23Å
99	A	94.6	Very high	94.4	Very high	20 Å²	20	70.4 Å²	70.4	17%	0.165	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-43.7	178.3	0	0	0	0	0	111.8	I74 F95 A96 W101 E102 R103	I74-A99 HydrophobicContact CD1-CB 3.7Å; F95-A99 PolarHBondContact O-N 2.91Å; A96-A99 PolarHBondContact O-N 3.18Å; A99-W101 PolarHBondContact O-N 3.15Å; A99-E102 PolarHBondContact O-N 3.02Å; A99-R103 PolarHBondContact O-N 2.98Å
100	R	97.6	Very high	94.8	Very high	70 Å²	70	74.9 Å²	74.9	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-57.5	-47.8	172.7	-174.1	-175.5	166.9	-167.2	1.6	111.5	A96 K98 E102 R103 R104 F109 D110 W112 I114	A96-R100 PolarHBondContact O-N 3.16Å; K98-R100 PolarHBondContact O-N 3.38Å; R100-E102 PolarHBondContact O-N 3.27Å; R100-R103 CarbonylContact O-C 3.55Å; R100-R103 PolarHBondContact O-N 3.42Å; R100-R104 WeakPolarHBondContact O-CA 3.31Å; R100-R104 PolarHBondContact O-N 3.04Å; R100-F109 VanDerWaalsContact CG-O 3.28Å; R100-F109 WeakPolarHBondContact CG-O 3.46Å; R100-F109 PolarHBondContact NE-O 3.25Å; R100-D110 PolarHBondContact NH2-O 3.46Å; R100-W112 HydrophobicContact CB-CE3 3.72Å; R100-W112 HydrophobicContact CB-CZ3 3.82Å; R100-W112 WeakPolarHBondContact CD-O 3.38Å; R100-W112 HydrophobicContact CG-CE3 3.97Å; R100-W112 PolarHBondContact NE-O 3.33Å; R100-W112 PolarHBondContact NH1-O 2.93Å; R100-W112 VanDerWaalsContact NH1-O 3.09Å; R100-W112 PolarHBondContact NH2-O 3.42Å; R100-I114 HydrophobicContact CB-CD1 3.89Å; R100-I114 HydrophobicContact CG-CD1 4.42Å
101	W	97.8	Very high	95.4	Very high	166 Å²	166	77.1 Å²	77.1	63%	0.629	36%	0.363	S	S	*	.	H	α-helix	trans	-61.8	-43.2	-180	177.5	-102.5	0	0	0	112.7	L97 K98 A99 R103 R104	L97-W101 WeakPolarHBondContact O-CB 3.33Å; L97-W101 PolarHBondContact O-N 3.12Å; K98-W101 PolarHBondContact O-N 3.19Å; A99-W101 PolarHBondContact O-N 3.15Å; W101-R103 PolarHBondContact O-N 3.35Å; W101-R104 VanDerWaalsContact CE3-CD 3.48Å; W101-R104 WeakPolarHBondContact O-CB 3.26Å; W101-R104 WeakPolarHBondContact O-CD 3.49Å; W101-R104 WeakPolarHBondContact O-CG 3.33Å; W101-R104 PolarHBondContact O-N 2.99Å; W101-R104 PolarHBondContact O-NH1 3.27Å
102	E	97.6	Very high	96	Very high	121 Å²	121	73.6 Å²	73.6	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-61.6	-35.2	178.8	-73.8	172.9	171.8	0	0	111.8	K98 A99 R100	K98-E102 WeakPolarHBondContact CE-OE1 3.33Å; K98-E102 IonicContact NZ-OE1 2.9Å; K98-E102 WeakPolarHBondContact O-CG 3.46Å; K98-E102 PolarHBondContact O-N 3.23Å; A99-E102 PolarHBondContact O-N 3.02Å; R100-E102 PolarHBondContact O-N 3.27Å
103	R	97.8	Very high	96.5	Very high	64 Å²	64	75.9 Å²	75.9	24%	0.242	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	11.3	-177.9	-63.1	-177.6	69	177.3	-0.8	114.7	E78 A99 R100 W101 K105 E106 F109	E78-R103 IonicContact OE1-CZ 2.94Å; E78-R103 IonicContact OE1-NH1 2.68Å; E78-R103 PolarHBondContact OE1-NH1 3.37Å; E78-R103 IonicContact OE1-NH2 3.52Å; E78-R103 PolarHBondContact OE1-NH2 3.41Å; A99-R103 PolarHBondContact O-N 2.98Å; R100-R103 CarbonylContact O-C 3.55Å; R100-R103 PolarHBondContact O-N 3.42Å; W101-R103 PolarHBondContact O-N 3.35Å; R103-K105 PolarHBondContact O-N 3.11Å; R103-E106 WeakPolarHBondContact CB-OE1 3.42Å; R103-E106 IonicContact CZ-OE1 3.42Å; R103-E106 IonicContact CZ-OE2 3.92Å; R103-E106 IonicContact NE-OE1 2.83Å; R103-E106 PolarHBondContact NE-OE1 2.96Å; R103-E106 IonicContact NE-OE2 3.56Å; R103-E106 PolarHBondContact NE-OE2 3.43Å; R103-E106 IonicContact NH2-OE1 2.94Å; R103-E106 IonicContact NH2-OE2 2.73Å; R103-E106 PolarHBondContact NH2-OE2 3.2Å; R103-E106 WeakPolarHBondContact O-CB 3.4Å; R103-E106 PolarHBondContact O-N 2.64Å; R103-F109 HydrophobicContact CB-CB 4.02Å; R103-F109 HydrophobicContact CB-CD1 3.85Å; R103-F109 HydrophobicContact CB-CD2 4.06Å; R103-F109 HydrophobicContact CB-CE1 4.41Å; R103-F109 HydrophobicContact CB-CG 3.68Å
104	R	97.6	Very high	96.8	Very high	92 Å²	92	75.9 Å²	75.9	35%	0.347	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-8.3	-176.1	73.6	-168.3	179.5	-69.9	0.1	116.4	R100 W101	R100-R104 WeakPolarHBondContact O-CA 3.31Å; R100-R104 PolarHBondContact O-N 3.04Å; W101-R104 VanDerWaalsContact CE3-CD 3.48Å; W101-R104 WeakPolarHBondContact O-CB 3.26Å; W101-R104 WeakPolarHBondContact O-CD 3.49Å; W101-R104 WeakPolarHBondContact O-CG 3.33Å; W101-R104 PolarHBondContact O-N 2.99Å; W101-R104 PolarHBondContact O-NH1 3.27Å
105	K	98.3	Very high	97	Very high	186 Å²	186	74.1 Å²	74.1	81%	0.809	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.7	174.2	-62.3	-56	-174.3	-177	0	112.7	R103	R103-K105 PolarHBondContact O-N 3.11Å
106	E	98.3	Very high	97.3	Very high	84 Å²	84	77.7 Å²	77.7	39%	0.393	37%	0.373	S	S	.	.	S	Bend	trans	-85.3	122.4	170.7	-61.3	171.2	-123	0	0	108.6	R103 A108 F109 D110	R103-E106 WeakPolarHBondContact CB-OE1 3.42Å; R103-E106 IonicContact CZ-OE1 3.42Å; R103-E106 IonicContact CZ-OE2 3.92Å; R103-E106 IonicContact NE-OE1 2.83Å; R103-E106 PolarHBondContact NE-OE1 2.96Å; R103-E106 IonicContact NE-OE2 3.56Å; R103-E106 PolarHBondContact NE-OE2 3.43Å; R103-E106 IonicContact NH2-OE1 2.94Å; R103-E106 IonicContact NH2-OE2 2.73Å; R103-E106 PolarHBondContact NH2-OE2 3.2Å; R103-E106 WeakPolarHBondContact O-CB 3.4Å; R103-E106 PolarHBondContact O-N 2.64Å; E106-A108 PolarHBondContact O-N 2.77Å; E106-A108 VanDerWaalsContact O-N 3.11Å; E106-F109 HydrophobicContact CB-CB 4.43Å; E106-F109 HydrophobicContact CB-CD2 3.98Å; E106-F109 PolarHBondContact O-N 3.42Å; E106-D110 PolarHBondContact O-N 3.12Å
107	A	98.1	Very high	97.4	Very high	68 Å²	68	77.9 Å²	77.9	56%	0.562	38%	0.375	S	S	*	.	H	α-helix	trans	-55.9	-33.5	-175.3	0	0	0	0	0	113.3	D110 Q111	A107-D110 PolarHBondContact O-N 2.93Å; A107-Q111 WeakPolarHBondContact O-CB 3.27Å; A107-Q111 VanDerWaalsContact O-CG 3.27Å; A107-Q111 WeakPolarHBondContact O-CG 3.46Å; A107-Q111 PolarHBondContact O-N 2.63Å; A107-Q111 VanDerWaalsContact O-N 3.12Å
108	A	97.7	Very high	97.4	Very high	45 Å²	45	74.4 Å²	74.4	37%	0.372	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-40.7	177	0	0	0	0	0	112.5	V77 E106 W112	V77-A108 HydrophobicContact CG1-CB 3.7Å; E106-A108 PolarHBondContact O-N 2.77Å; E106-A108 VanDerWaalsContact O-N 3.11Å; A108-W112 PolarHBondContact O-N 2.96Å
109	F	98.2	Very high	97.5	Very high	1 Å²	1	69.9 Å²	69.9	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-77.3	-32.3	177.7	-77.7	-93.7	0	0	0	112.5	I74 V77 E78 R100 R103 E106 Q111 W112	I74-F109 HydrophobicContact CG1-CE1 4.27Å; I74-F109 HydrophobicContact CG2-CE1 4.18Å; I74-F109 HydrophobicContact CG2-CZ 4.06Å; V77-F109 HydrophobicContact CB-CE2 4.42Å; V77-F109 HydrophobicContact CB-CZ 4.21Å; V77-F109 HydrophobicContact CG1-CD1 4.25Å; V77-F109 HydrophobicContact CG1-CD2 3.72Å; V77-F109 HydrophobicContact CG1-CE1 4.16Å; V77-F109 HydrophobicContact CG1-CE2 3.59Å; V77-F109 HydrophobicContact CG1-CG 4.02Å; V77-F109 HydrophobicContact CG1-CZ 3.81Å; E78-F109 HydrophobicContact CG-CE2 4.14Å; E78-F109 HydrophobicContact CG-CZ 4.02Å; R100-F109 VanDerWaalsContact CG-O 3.28Å; R100-F109 WeakPolarHBondContact CG-O 3.46Å; R100-F109 PolarHBondContact NE-O 3.25Å; R103-F109 HydrophobicContact CB-CB 4.02Å; R103-F109 HydrophobicContact CB-CD1 3.85Å; R103-F109 HydrophobicContact CB-CD2 4.06Å; R103-F109 HydrophobicContact CB-CE1 4.41Å; R103-F109 HydrophobicContact CB-CG 3.68Å; E106-F109 HydrophobicContact CB-CB 4.43Å; E106-F109 HydrophobicContact CB-CD2 3.98Å; E106-F109 PolarHBondContact O-N 3.42Å; F109-Q111 VanDerWaalsContact C-N 3.28Å; F109-Q111 PolarHBondContact O-N 2.88Å; F109-W112 AromaticContact CD1-CE3 3.86Å; F109-W112 HydrophobicContact CD1-CE3 3.86Å; F109-W112 HydrophobicContact CD1-CZ3 4.24Å; F109-W112 HydrophobicContact CE1-CE3 4.18Å; F109-W112 HydrophobicContact CE1-CZ3 4.26Å; F109-W112 WeakPolarHBondContact O-CB 3.5Å; F109-W112 PolarHBondContact O-N 3.37Å
110	D	97.9	Very high	97.5	Very high	96 Å²	96	70 Å²	70	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-40.3	172.9	-169	58.4	0	0	0	111.2	R100 E106 A107	R100-D110 PolarHBondContact NH2-O 3.46Å; E106-D110 PolarHBondContact O-N 3.12Å; A107-D110 PolarHBondContact O-N 2.93Å
111	Q	97.8	Very high	97.5	Very high	130 Å²	130	68.2 Å²	68.2	61%	0.607	33%	0.331	S	S	*	.	S	Bend	trans	-79.3	-13.3	178	-68.9	174.9	23.3	0	0	114.9	A107 F109 V113	A107-Q111 WeakPolarHBondContact O-CB 3.27Å; A107-Q111 VanDerWaalsContact O-CG 3.27Å; A107-Q111 WeakPolarHBondContact O-CG 3.46Å; A107-Q111 PolarHBondContact O-N 2.63Å; A107-Q111 VanDerWaalsContact O-N 3.12Å; F109-Q111 VanDerWaalsContact C-N 3.28Å; F109-Q111 PolarHBondContact O-N 2.88Å; Q111-V113 PolarHBondContact O-N 3.14Å
112	W	98.5	Very high	97.5	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	30%	0.301	C	S	.	.			trans	-67.1	119	178.5	175.6	23.2	0	0	0	110.7	I74 V77 M83 S85 A96 R100 A108 F109 I114	I74-W112 HydrophobicContact CD1-CH2 4.33Å; I74-W112 HydrophobicContact CG1-CH2 3.67Å; I74-W112 HydrophobicContact CG1-CZ3 3.75Å; V77-W112 HydrophobicContact CG2-CB 3.92Å; V77-W112 HydrophobicContact CG2-CD2 4Å; V77-W112 HydrophobicContact CG2-CE3 4.46Å; V77-W112 HydrophobicContact CG2-CG 3.74Å; M83-W112 HydrophobicContact CB-CG 4.37Å; S85-W112 PolarHBondContact OG-NE1 2.94Å; A96-W112 HydrophobicContact CB-CH2 3.91Å; A96-W112 HydrophobicContact CB-CZ2 4.22Å; R100-W112 HydrophobicContact CB-CE3 3.72Å; R100-W112 HydrophobicContact CB-CZ3 3.82Å; R100-W112 WeakPolarHBondContact CD-O 3.38Å; R100-W112 HydrophobicContact CG-CE3 3.97Å; R100-W112 PolarHBondContact NE-O 3.33Å; R100-W112 PolarHBondContact NH1-O 2.93Å; R100-W112 VanDerWaalsContact NH1-O 3.09Å; R100-W112 PolarHBondContact NH2-O 3.42Å; A108-W112 PolarHBondContact O-N 2.96Å; F109-W112 AromaticContact CD1-CE3 3.86Å; F109-W112 HydrophobicContact CD1-CE3 3.86Å; F109-W112 HydrophobicContact CD1-CZ3 4.24Å; F109-W112 HydrophobicContact CE1-CE3 4.18Å; F109-W112 HydrophobicContact CE1-CZ3 4.26Å; F109-W112 WeakPolarHBondContact O-CB 3.5Å; F109-W112 PolarHBondContact O-N 3.37Å; W112-I114 HydrophobicContact CD2-CD1 3.82Å; W112-I114 HydrophobicContact CD2-CG1 3.88Å; W112-I114 VanDerWaalsContact CE2-CG1 3.44Å; W112-I114 HydrophobicContact CE3-CD1 3.9Å; W112-I114 HydrophobicContact CE3-CG1 4.47Å; W112-I114 HydrophobicContact CG-CG1 4.27Å; W112-I114 HydrophobicContact CH2-CD1 3.58Å; W112-I114 HydrophobicContact CH2-CG1 4.32Å; W112-I114 HydrophobicContact CZ2-CD1 3.47Å; W112-I114 VanDerWaalsContact CZ2-CD1 3.47Å; W112-I114 HydrophobicContact CZ2-CG1 3.69Å; W112-I114 HydrophobicContact CZ3-CD1 3.79Å
113	V	98.3	Very high	97.4	Very high	53 Å²	53	57 Å²	57	32%	0.321	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.7	178.5	179.4	0	0	0	0	110.1	M83 V84 S85 Q111 E115	M83-V113 PolarHBondContact O-N 3.03Å; M83-V113 VanDerWaalsContact O-N 3.11Å; V84-V113 CarbonylContact C-O 3.46Å; V84-V113 WeakPolarHBondContact CA-O 3.5Å; V84-V113 HydrophobicContact CB-CB 4.39Å; V84-V113 HydrophobicContact CG1-CB 4.2Å; V84-V113 HydrophobicContact CG1-CG1 4.04Å; V84-V113 HydrophobicContact CG2-CB 4.08Å; V84-V113 HydrophobicContact CG2-CG2 4.46Å; S85-V113 PolarHBondContact N-O 3.47Å; Q111-V113 PolarHBondContact O-N 3.14Å; V113-E115 HydrophobicContact CG1-CG 3.91Å
114	I	98.4	Very high	97.3	Very high	9 Å²	9	61 Å²	61	5%	0.046	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.7	176.9	-54.2	171.2	0	0	0	107.6	S85 L93 A96 L97 R100 W112	S85-I114 VanDerWaalsContact O-CA 3.31Å; S85-I114 WeakPolarHBondContact O-CA 3.41Å; L93-I114 HydrophobicContact CD2-CG2 3.83Å; A96-I114 HydrophobicContact CB-CD1 4Å; A96-I114 HydrophobicContact CB-CG2 4.48Å; L97-I114 HydrophobicContact CD2-CB 3.96Å; L97-I114 HydrophobicContact CD2-CD1 4.21Å; L97-I114 HydrophobicContact CD2-CG2 4.01Å; L97-I114 HydrophobicContact CG-CG2 4.14Å; R100-I114 HydrophobicContact CB-CD1 3.89Å; R100-I114 HydrophobicContact CG-CD1 4.42Å; W112-I114 HydrophobicContact CD2-CD1 3.82Å; W112-I114 HydrophobicContact CD2-CG1 3.88Å; W112-I114 VanDerWaalsContact CE2-CG1 3.44Å; W112-I114 HydrophobicContact CE3-CD1 3.9Å; W112-I114 HydrophobicContact CE3-CG1 4.47Å; W112-I114 HydrophobicContact CG-CG1 4.27Å; W112-I114 HydrophobicContact CH2-CD1 3.58Å; W112-I114 HydrophobicContact CH2-CG1 4.32Å; W112-I114 HydrophobicContact CZ2-CD1 3.47Å; W112-I114 VanDerWaalsContact CZ2-CD1 3.47Å; W112-I114 HydrophobicContact CZ2-CG1 3.69Å; W112-I114 HydrophobicContact CZ3-CD1 3.79Å
115	E	96.8	Very high	97.1	Very high	106 Å²	106	59.8 Å²	59.8	50%	0.495	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.4	-178.4	-60.8	-64.8	161.2	0	0	110.6	S85 V86 L93 V113	S85-E115 PolarHBondContact O-N 2.89Å; V86-E115 VanDerWaalsContact CA-O 3.27Å; V86-E115 WeakPolarHBondContact CA-O 3.4Å; V86-E115 HydrophobicContact CG1-CB 4.21Å; L93-E115 WeakPolarHBondContact CD1-O 3.22Å; V113-E115 HydrophobicContact CG1-CG 3.91Å
116	E	96.4	Very high	96.9	Very high	118 Å²	118	51.6 Å²	51.6	55%	0.551	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.3	168.7	-172.4	-177.2	157.6	0	0	109.6	D87 L93	D87-E116 WeakPolarHBondContact O-CA 3.32Å; L93-E116 HydrophobicContact CD1-CB 4.16Å
117	A	96.1	Very high	96.5	Very high	5 Å²	5	55.3 Å²	55.3	4%	0.041	30%	0.299	C	S	.	.			trans	-156	154.5	172.5	0	0	0	0	0	111.7	V86 D87 A88 L122 D125 I126	V86-A117 HydrophobicContact CB-CB 3.67Å; V86-A117 HydrophobicContact CG1-CB 3.92Å; V86-A117 HydrophobicContact CG2-CB 3.91Å; D87-A117 CarbonylContact C-O 3.56Å; D87-A117 PolarHBondContact O-N 3.09Å; D87-A117 VanDerWaalsContact O-N 3.09Å; A88-A117 WeakPolarHBondContact CA-O 3.29Å; A88-A117 PolarHBondContact N-O 3.19Å; A88-A117 VanDerWaalsContact N-O 3.16Å; A117-L122 HydrophobicContact CB-CD1 3.79Å; A117-D125 HydrophobicContact CB-CB 3.6Å; A117-I126 HydrophobicContact CB-CG2 4.11Å
118	N	95.4	Very high	96	Very high	8 Å²	8	57 Å²	57	4%	0.043	29%	0.291	C	S	.	.			trans	-119.2	136.4	179.3	-177.4	-28	0	0	0	110.1	E17 A88 L120 T121 L122 D125	E17-N118 PolarHBondContact O-ND2 3.38Å; A88-N118 HydrophobicContact CB-CB 4.42Å; N118-L120 PolarHBondContact O-N 3.49Å; N118-L120 PolarHBondContact OD1-N 2.71Å; N118-T121 CarbonylContact O-C 3.58Å; N118-T121 PolarHBondContact O-N 2.84Å; N118-T121 PolarHBondContact O-OG1 3.27Å; N118-L122 WeakPolarHBondContact O-CA 2.88Å; N118-L122 WeakPolarHBondContact O-CB 3.19Å; N118-L122 PolarHBondContact O-N 2.74Å; N118-D125 PolarHBondContact N-OD2 3.31Å
119	W	97.8	Very high	95.6	Very high	24 Å²	24	56 Å²	56	9%	0.091	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.4	-178.8	-54.5	-31.5	0	0	0	113.7	V65 A66 T121 S142 F143 L146 A159 N162 I163	V65-W119 PolarHBondContact O-NE1 3.04Å; A66-W119 HydrophobicContact CB-CZ2 4.3Å; W119-T121 VanDerWaalsContact C-N 3.31Å; W119-T121 PolarHBondContact O-N 3.04Å; W119-S142 WeakPolarHBondContact CH2-O 3.29Å; W119-F143 HydrophobicContact CE3-CD2 4.02Å; W119-F143 HydrophobicContact CE3-CE2 4.3Å; W119-F143 HydrophobicContact CZ3-CD2 4.04Å; W119-L146 HydrophobicContact CE3-CB 4.37Å; W119-L146 HydrophobicContact CE3-CD2 4.49Å; W119-L146 HydrophobicContact CZ3-CB 4.17Å; W119-A159 HydrophobicContact CB-CB 3.69Å; W119-N162 VanDerWaalsContact O-CB 3.24Å; W119-N162 WeakPolarHBondContact O-CB 3.33Å; W119-N162 PolarHBondContact O-ND2 3.13Å; W119-I163 HydrophobicContact CB-CD1 4.23Å; W119-I163 HydrophobicContact CB-CG1 4.46Å; W119-I163 HydrophobicContact CD2-CD1 4.2Å; W119-I163 HydrophobicContact CG-CD1 3.86Å; W119-I163 HydrophobicContact CG-CG1 4.32Å
120	L	96.3	Very high	94.9	Very high	23 Å²	23	60.8 Å²	60.8	12%	0.12	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.6	178.8	-59	178.9	0	0	0	113.4	N118 E155 L158 A159 N162	N118-L120 PolarHBondContact O-N 3.49Å; N118-L120 PolarHBondContact OD1-N 2.71Å; L120-E155 HydrophobicContact CD2-CB 4Å; L120-E155 HydrophobicContact CD2-CG 4.42Å; L120-E155 WeakPolarHBondContact CD2-O 3.32Å; L120-L158 HydrophobicContact CD2-CD2 4.35Å; L120-A159 HydrophobicContact CD2-CB 4.14Å; L120-N162 VanDerWaalsContact C-ND2 3.26Å; L120-N162 PolarHBondContact O-ND2 2.95Å
121	T	96.9	Very high	94.3	Very high	33 Å²	33	61.8 Å²	61.8	20%	0.202	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	8.3	-176.8	48.7	0	0	0	0	113	N118 W119 P123 D124 D125	N118-T121 CarbonylContact O-C 3.58Å; N118-T121 PolarHBondContact O-N 2.84Å; N118-T121 PolarHBondContact O-OG1 3.27Å; W119-T121 VanDerWaalsContact C-N 3.31Å; W119-T121 PolarHBondContact O-N 3.04Å; T121-P123 VanDerWaalsContact C-N 3.32Å; T121-P123 WeakPolarHBondContact O-CD 3.13Å; T121-D124 PolarHBondContact O-N 2.76Å; T121-D125 PolarHBondContact O-N 3.49Å; T121-D125 VanDerWaalsContact O-N 3.12Å; T121-D125 PolarHBondContact OG1-OD1 2.97Å; T121-D125 PolarHBondContact OG1-OD2 3.29Å
122	L	96.8	Very high	94.1	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-47.5	-39.2	-172	-172.5	66.4	0	0	0	115.6	V65 V86 A117 N118 D124 D125 I126 N162 I163 M166	V65-L122 HydrophobicContact CG1-CD2 3.91Å; V86-L122 HydrophobicContact CG2-CD1 4.04Å; A117-L122 HydrophobicContact CB-CD1 3.79Å; N118-L122 WeakPolarHBondContact O-CA 2.88Å; N118-L122 WeakPolarHBondContact O-CB 3.19Å; N118-L122 PolarHBondContact O-N 2.74Å; L122-D124 PolarHBondContact O-N 2.79Å; L122-D125 PolarHBondContact O-N 3.11Å; L122-I126 HydrophobicContact CD1-CD1 3.85Å; L122-I126 HydrophobicContact CD1-CG1 4.01Å; L122-I126 HydrophobicContact CG-CD1 4.37Å; L122-I126 HydrophobicContact CG-CG1 4.43Å; L122-I126 WeakPolarHBondContact O-CG1 3.44Å; L122-I126 PolarHBondContact O-N 2.94Å; L122-N162 HydrophobicContact CB-CB 4.25Å; L122-I163 HydrophobicContact CD2-CG1 4.09Å; L122-M166 HydrophobicContact CD2-CE 4.42Å; L122-M166 HydrophobicContact CD2-CG 3.76Å; L122-M166 HydrophobicContact CG-CE 4.08Å; L122-M166 HydrophobicContact CG-CG 4.25Å
123	P	95.8	Very high	94.1	Very high	52 Å²	52	56.3 Å²	56.3	34%	0.338	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-24.7	177.3	-20.7	34.8	0	0	0	115	T121 N162 M166	T121-P123 VanDerWaalsContact C-N 3.32Å; T121-P123 WeakPolarHBondContact O-CD 3.13Å; P123-N162 HydrophobicContact CG-CB 4.07Å; P123-M166 VanDerWaalsContact CA-CE 3.41Å; P123-M166 HydrophobicContact CB-CE 3.86Å; P123-M166 HydrophobicContact CG-CE 3.81Å
124	D	95.5	Very high	94.1	Very high	148 Å²	148	54.4 Å²	54.4	79%	0.791	29%	0.29	S	S	*	.	H	α-helix	trans	-93.6	-28.1	178.5	-58.5	-42.9	0	0	0	111.4	T121 L122	T121-D124 PolarHBondContact O-N 2.76Å; L122-D124 PolarHBondContact O-N 2.79Å
125	D	94.7	Very high	94.1	Very high	65 Å²	65	54 Å²	54	35%	0.348	29%	0.288	S	S	.	.	H	α-helix	trans	-76	-33.2	-176	-63.2	-20.2	0	0	0	113.5	A117 N118 T121 L122	A117-D125 HydrophobicContact CB-CB 3.6Å; N118-D125 PolarHBondContact N-OD2 3.31Å; T121-D125 PolarHBondContact O-N 3.49Å; T121-D125 VanDerWaalsContact O-N 3.12Å; T121-D125 PolarHBondContact OG1-OD1 2.97Å; T121-D125 PolarHBondContact OG1-OD2 3.29Å; L122-D125 PolarHBondContact O-N 3.11Å
126	I	94.1	Very high	94.2	Very high	14 Å²	14	49 Å²	49	7%	0.072	26%	0.264	C	S	.	.	S	Bend	trans	-127.8	147.9	-177.9	59.5	168	0	0	0	113.8	L63 V86 A117 L122 R128 Y133 M166	L63-I126 HydrophobicContact CD1-CD1 3.7Å; L63-I126 HydrophobicContact CD2-CD1 3.72Å; L63-I126 HydrophobicContact CG-CD1 4.38Å; V86-I126 HydrophobicContact CG1-CG2 3.68Å; A117-I126 HydrophobicContact CB-CG2 4.11Å; L122-I126 HydrophobicContact CD1-CD1 3.85Å; L122-I126 HydrophobicContact CD1-CG1 4.01Å; L122-I126 HydrophobicContact CG-CD1 4.37Å; L122-I126 HydrophobicContact CG-CG1 4.43Å; L122-I126 WeakPolarHBondContact O-CG1 3.44Å; L122-I126 PolarHBondContact O-N 2.94Å; I126-R128 PolarHBondContact O-N 2.96Å; I126-Y133 HydrophobicContact CD1-CE2 4.48Å; I126-M166 HydrophobicContact CD1-SD 4.43Å
127	H	88.5	Confident	94.3	Very high	163 Å²	163	43.4 Å²	43.4	76%	0.755	24%	0.238	S	C	*	.			trans	-68.9	105	170.9	-178.1	70.8	0	0	0	110.8	P129	H127-P129 WeakPolarHBondContact O-CD 3.45Å
128	R	88.6	Confident	94.5	Very high	102 Å²	102	43.1 Å²	43.1	39%	0.385	24%	0.236	S	C	.	.			trans	-70.8	124.1	168.5	-175.3	-176.7	164	-167.3	-0.6	109.9	I126 S165 M166	I126-R128 PolarHBondContact O-N 2.96Å; R128-S165 PolarHBondContact NE-O 3.01Å; R128-S165 VanDerWaalsContact NE-O 3.08Å; R128-S165 PolarHBondContact NH1-O 2.99Å; R128-S165 PolarHBondContact NH2-O 2.81Å; R128-M166 HydrophobicContact CB-SD 4.01Å; R128-M166 HydrophobicContact CG-SD 3.93Å
129	P	89.2	Confident	94.5	Very high	26 Å²	26	43 Å²	43	17%	0.169	24%	0.235	C	C	.	.			trans	-56.3	152.9	170.5	-21.5	32	0	0	0	110.9	H127 D131 G132 Y133	H127-P129 WeakPolarHBondContact O-CD 3.45Å; P129-D131 PolarHBondContact O-N 3.05Å; P129-G132 PolarHBondContact O-N 3.04Å; P129-Y133 VanDerWaalsContact CD-CE2 3.47Å; P129-Y133 HydrophobicContact CG-CE1 4.23Å; P129-Y133 HydrophobicContact CG-CE2 4.24Å
130	A	83	Confident	94.3	Very high	100 Å²	100	42.8 Å²	42.8	83%	0.826	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-44.4	-173.3	0	0	0	0	0	114.4
131	D	85.7	Confident	94.2	Very high	118 Å²	118	41.9 Å²	41.9	63%	0.631	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.4	179.1	-58.7	-44.8	0	0	0	113.5	P129 R168 P169	P129-D131 PolarHBondContact O-N 3.05Å; D131-R168 HydrophobicContact CB-CB 4.39Å; D131-R168 WeakPolarHBondContact O-CA 3.19Å; D131-R168 WeakPolarHBondContact O-CB 3.33Å; D131-P169 WeakPolarHBondContact O-CD 3.35Å
132	G	94.4	Very high	94.2	Very high	8 Å²	8	41.5 Å²	41.5	8%	0.082	24%	0.235	C	C	.	.			trans	97.7	-170.1	-167.7	0	0	0	0	0	113.6	P129 M166	P129-G132 PolarHBondContact O-N 3.04Å; G132-M166 WeakPolarHBondContact CA-O 3.46Å
133	Y	98.1	Very high	94.2	Very high	8 Å²	8	41.5 Å²	41.5	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	147.4	179.3	-65.5	-93.7	0	0	0	111.6	K61 L63 V84 I126 P129 A135 M166 R168	K61-Y133 HydrophobicContact CB-CD1 4.41Å; L63-Y133 HydrophobicContact CB-CD1 3.7Å; L63-Y133 HydrophobicContact CB-CD2 3.8Å; L63-Y133 HydrophobicContact CB-CE1 3.89Å; L63-Y133 HydrophobicContact CB-CE2 3.99Å; L63-Y133 HydrophobicContact CB-CG 3.65Å; L63-Y133 HydrophobicContact CD1-CE2 4.42Å; L63-Y133 HydrophobicContact CD2-CD2 3.99Å; L63-Y133 HydrophobicContact CD2-CE2 3.82Å; L63-Y133 HydrophobicContact CG-CD2 4.46Å; L63-Y133 HydrophobicContact CG-CE2 4.3Å; V84-Y133 HydrophobicContact CB-CE1 3.94Å; V84-Y133 HydrophobicContact CG2-CE1 3.75Å; I126-Y133 HydrophobicContact CD1-CE2 4.48Å; P129-Y133 VanDerWaalsContact CD-CE2 3.47Å; P129-Y133 HydrophobicContact CG-CE1 4.23Å; P129-Y133 HydrophobicContact CG-CE2 4.24Å; Y133-A135 VanDerWaalsContact C-N 3.29Å; Y133-A135 PolarHBondContact O-N 2.78Å; Y133-M166 HydrophobicContact CD2-CB 4.13Å; Y133-M166 WeakPolarHBondContact CD2-O 3.26Å; Y133-M166 PolarHBondContact N-O 3.44Å; Y133-R168 WeakPolarHBondContact O-CG 3.24Å; Y133-R168 PolarHBondContact O-N 3.04Å
134	D	98.3	Very high	94.3	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	-39.1	175.6	-64.2	-54.1	0	0	0	111.2	V59 R60 K61 R168 G171 I172	V59-D134 HydrophobicContact CB-CB 4.14Å; V59-D134 HydrophobicContact CG1-CB 3.87Å; V59-D134 HydrophobicContact CG2-CB 4.12Å; R60-D134 WeakPolarHBondContact CA-OD2 3.38Å; R60-D134 PolarHBondContact N-OD2 2.86Å; K61-D134 PolarHBondContact N-OD2 3.08Å; K61-D134 WeakPolarHBondContact O-CB 3.32Å; K61-D134 PolarHBondContact O-N 3.02Å; K61-D134 VanDerWaalsContact O-N 3.09Å; D134-R168 IonicContact OD1-CZ 3.05Å; D134-R168 IonicContact OD1-NE 2.64Å; D134-R168 PolarHBondContact OD1-NE 3.09Å; D134-R168 IonicContact OD1-NH2 2.76Å; D134-R168 PolarHBondContact OD1-NH2 2.95Å; D134-G171 CarbonylContact O-C 3.59Å; D134-G171 WeakPolarHBondContact O-CA 3.25Å; D134-I172 PolarHBondContact O-N 2.95Å
135	A	98.7	Very high	94.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	148	171.1	0	0	0	0	0	111.8	L54 V59 K61 V62 L63 Y133 I172	L54-A135 HydrophobicContact CD2-CB 3.66Å; V59-A135 HydrophobicContact CG1-CB 3.82Å; V59-A135 HydrophobicContact CG2-CB 3.93Å; K61-A135 PolarHBondContact O-N 2.98Å; V62-A135 VanDerWaalsContact CA-O 3.31Å; V62-A135 WeakPolarHBondContact CA-O 3.46Å; V62-A135 HydrophobicContact CG1-CB 4.33Å; V62-A135 HydrophobicContact CG2-CB 4.33Å; L63-A135 PolarHBondContact N-O 2.72Å; Y133-A135 VanDerWaalsContact C-N 3.29Å; Y133-A135 PolarHBondContact O-N 2.78Å; A135-I172 CarbonylContact C-O 3.49Å; A135-I172 WeakPolarHBondContact CA-O 3.46Å; A135-I172 HydrophobicContact CB-CD1 4.46Å; A135-I172 HydrophobicContact CB-CG1 3.77Å
136	V	98.8	Very high	94.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.3	166.8	-176.5	0	0	0	0	107.5	L63 V65 I163 M166 V167 I172 L173 I174	L63-V136 HydrophobicContact CB-CG1 4.43Å; L63-V136 HydrophobicContact CB-CG2 4.25Å; L63-V136 HydrophobicContact CD2-CG1 4.31Å; L63-V136 HydrophobicContact CD2-CG2 4.46Å; L63-V136 HydrophobicContact CG-CG1 4.46Å; L63-V136 CarbonylContact O-C 3.17Å; L63-V136 VanDerWaalsContact O-CA 3.27Å; L63-V136 WeakPolarHBondContact O-CA 3.33Å; V65-V136 HydrophobicContact CG1-CG1 3.8Å; V65-V136 HydrophobicContact CG2-CG1 4.35Å; V136-I163 HydrophobicContact CG1-CG2 3.93Å; V136-M166 HydrophobicContact CG2-CB 3.84Å; V136-V167 HydrophobicContact CB-CG2 3.95Å; V136-V167 HydrophobicContact CG2-CB 4.38Å; V136-V167 HydrophobicContact CG2-CG2 3.54Å; V136-I172 PolarHBondContact N-O 3.11Å; V136-L173 HydrophobicContact CB-CD1 3.95Å; V136-L173 HydrophobicContact CG1-CD1 3.95Å; V136-L173 CarbonylContact O-C 3.59Å; V136-L173 WeakPolarHBondContact O-CA 3.15Å; V136-L173 WeakPolarHBondContact O-CD1 3.48Å; V136-I174 PolarHBondContact O-N 3.46Å
137	I	98.8	Very high	94.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.2	179	67.9	174.2	0	0	0	111.2	V62 L63 D64 V65 D72 L76 L139 I174	V62-I137 HydrophobicContact CG1-CD1 4.35Å; V62-I137 HydrophobicContact CG1-CG1 4.25Å; V62-I137 HydrophobicContact CG1-CG2 4.07Å; L63-I137 PolarHBondContact O-N 2.93Å; D64-I137 HydrophobicContact CB-CD1 4.04Å; D64-I137 HydrophobicContact CB-CG1 3.81Å; V65-I137 WeakPolarHBondContact CG2-O 3.39Å; V65-I137 PolarHBondContact N-O 2.92Å; D72-I137 HydrophobicContact CB-CD1 4.35Å; L76-I137 HydrophobicContact CD1-CD1 3.75Å; I137-L139 HydrophobicContact CB-CD1 4.47Å; I137-L139 HydrophobicContact CB-CG 4.49Å; I137-I174 CarbonylContact C-O 3.57Å; I137-I174 WeakPolarHBondContact CA-O 3.41Å; I137-I174 HydrophobicContact CG2-CB 4.2Å; I137-I174 HydrophobicContact CG2-CD1 4.2Å; I137-I174 HydrophobicContact CG2-CG1 4.44Å
138	C	98.6	Very high	94.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	85.6	172.9	-175	0	0	0	0	107.7	V65 I174 I175 D176	V65-C138 HydrophobicContact CG2-CB 3.6Å; C138-I174 PolarHBondContact N-O 3.31Å; C138-I175 HydrophobicContact CB-CB 4.21Å; C138-I175 HydrophobicContact CB-CD1 3.97Å; C138-I175 HydrophobicContact CB-CG1 3.84Å; C138-I175 VanDerWaalsContact O-CA 3.28Å; C138-I175 WeakPolarHBondContact O-CA 3.43Å; C138-D176 PolarHBondContact O-N 2.78Å; C138-D176 VanDerWaalsContact O-N 3.14Å
139	L	96.6	Very high	94.2	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	15%	0.149	C	C	.	.			trans	-112.2	165.9	-169.4	-66.5	175	0	0	0	112	Y46 V50 I137 S142 I174 D176 Y196	Y46-L139 HydrophobicContact CE2-CD1 3.98Å; Y46-L139 WeakPolarHBondContact OH-CD1 3.47Å; V50-L139 HydrophobicContact CG2-CD1 4.1Å; I137-L139 HydrophobicContact CB-CD1 4.47Å; I137-L139 HydrophobicContact CB-CG 4.49Å; L139-S142 PolarHBondContact O-OG 2.82Å; L139-I174 HydrophobicContact CD2-CG2 3.9Å; L139-D176 WeakPolarHBondContact CA-OD1 3.16Å; L139-D176 HydrophobicContact CD2-CB 4.13Å; L139-Y196 HydrophobicContact CB-CE1 4.27Å
140	G	92.3	Very high	94.2	Very high	21 Å²	21	29.2 Å²	29.2	22%	0.216	17%	0.168	C	C	.	.	S	Bend	trans	85.5	24.9	175.7	0	0	0	0	0	114	S142 D176	G140-S142 PolarHBondContact O-N 3.14Å; G140-D176 VanDerWaalsContact N-CG 3.32Å; G140-D176 PolarHBondContact N-OD1 3.33Å; G140-D176 PolarHBondContact N-OD2 3.48Å; G140-D176 VanDerWaalsContact N-OD2 3.08Å
141	N	95.4	Very high	94.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	16%	0.156	C	C	.	.	S	Bend	trans	61.3	27.5	-174.6	-178.7	70.6	0	0	0	113	A144 D176 H177 R178 Y180 Y245 Y286	N141-A144 PolarHBondContact O-N 3.41Å; N141-A144 WeakPolarHBondContact OD1-CB 3.38Å; N141-D176 VanDerWaalsContact N-CG 3.27Å; N141-D176 PolarHBondContact N-OD1 3.09Å; N141-D176 PolarHBondContact N-OD2 3.47Å; N141-H177 WeakPolarHBondContact OD1-CA 3.38Å; N141-R178 HydrophobicContact CB-CG 4.12Å; N141-R178 PolarHBondContact OD1-N 3.24Å; N141-Y180 PolarHBondContact ND2-OH 2.89Å; N141-Y180 WeakPolarHBondContact OD1-CE2 3.3Å; N141-Y180 PolarHBondContact OD1-OH 2.77Å; N141-Y245 WeakPolarHBondContact ND2-CD1 3.19Å; N141-Y245 WeakPolarHBondContact ND2-CE1 3.33Å; N141-Y286 HydrophobicContact CB-CD1 4.26Å; N141-Y286 HydrophobicContact CB-CE1 3.75Å
142	S	96.3	Very high	94.9	Very high	25 Å²	25	25.8 Å²	25.8	18%	0.175	15%	0.149	C	C	.	.			trans	-66.5	-43.3	-172.9	-64.6	0	0	0	0	111.9	A66 W119 L139 G140 A144 H145	A66-S142 VanDerWaalsContact CB-CB 3.48Å; W119-S142 WeakPolarHBondContact CH2-O 3.29Å; L139-S142 PolarHBondContact O-OG 2.82Å; G140-S142 PolarHBondContact O-N 3.14Å; S142-A144 PolarHBondContact O-N 2.82Å; S142-A144 VanDerWaalsContact O-N 3.11Å; S142-H145 VanDerWaalsContact O-CB 3.3Å; S142-H145 WeakPolarHBondContact O-CB 3.47Å; S142-H145 PolarHBondContact O-CD2 2.79Å; S142-H145 VanDerWaalsContact O-CD2 3.31Å; S142-H145 PolarHBondContact O-N 2.62Å
143	F	98.1	Very high	95	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-57.8	-32	-177.6	-171.9	-95.1	0	0	0	113.5	W119 H145 L146 Q156 A159 L160 I163 I175 H248 F253	W119-F143 HydrophobicContact CE3-CD2 4.02Å; W119-F143 HydrophobicContact CE3-CE2 4.3Å; W119-F143 HydrophobicContact CZ3-CD2 4.04Å; F143-H145 PolarHBondContact O-N 2.66Å; F143-L146 HydrophobicContact CE2-CD2 4.25Å; F143-L146 HydrophobicContact CZ-CD2 4.15Å; F143-L146 PolarHBondContact O-N 3.09Å; F143-Q156 HydrophobicContact CE1-CB 4.31Å; F143-Q156 HydrophobicContact CE1-CG 4.44Å; F143-Q156 HydrophobicContact CZ-CB 4.07Å; F143-Q156 HydrophobicContact CZ-CG 4.43Å; F143-A159 HydrophobicContact CE2-CB 3.87Å; F143-A159 HydrophobicContact CZ-CB 4.33Å; F143-L160 HydrophobicContact CD2-CD2 4.06Å; F143-L160 HydrophobicContact CE1-CD1 4.17Å; F143-L160 HydrophobicContact CE1-CD2 4.23Å; F143-L160 HydrophobicContact CE1-CG 4.13Å; F143-L160 HydrophobicContact CE2-CD2 3.62Å; F143-L160 HydrophobicContact CE2-CG 3.72Å; F143-L160 HydrophobicContact CZ-CD1 3.9Å; F143-L160 HydrophobicContact CZ-CD2 3.72Å; F143-L160 HydrophobicContact CZ-CG 3.44Å; F143-L160 VanDerWaalsContact CZ-CG 3.44Å; F143-I163 HydrophobicContact CD2-CD1 4.21Å; F143-I163 HydrophobicContact CE2-CD1 4.28Å; F143-I175 HydrophobicContact CB-CD1 3.99Å; F143-I175 HydrophobicContact CB-CG1 4.45Å; F143-I175 HydrophobicContact CD2-CD1 4.14Å; F143-I175 HydrophobicContact CG-CD1 4.05Å; F143-H248 AromaticContact CD1-NE2 3.62Å; F143-H248 AromaticContact CE1-CE1 3.79Å; F143-H248 AromaticContact CE1-NE2 3.62Å; F143-F253 AromaticContact CD1-CE2 3.47Å; F143-F253 HydrophobicContact CD1-CE2 3.47Å; F143-F253 VanDerWaalsContact CD1-CE2 3.47Å; F143-F253 AromaticContact CD1-CZ 3.99Å; F143-F253 HydrophobicContact CD1-CZ 3.99Å; F143-F253 AromaticContact CE1-CE2 3.74Å; F143-F253 HydrophobicContact CE1-CE2 3.74Å; F143-F253 HydrophobicContact CG-CE2 4.35Å; F143-F253 HydrophobicContact CG-CZ 4.45Å
144	A	97.1	Very high	94.9	Very high	1 Å²	1	28 Å²	28	1%	0.008	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-63.8	-11.9	178.2	0	0	0	0	0	113.4	N141 S142 L146 Y180 Y245 Y246	N141-A144 PolarHBondContact O-N 3.41Å; N141-A144 WeakPolarHBondContact OD1-CB 3.38Å; S142-A144 PolarHBondContact O-N 2.82Å; S142-A144 VanDerWaalsContact O-N 3.11Å; A144-L146 VanDerWaalsContact C-N 3.25Å; A144-L146 PolarHBondContact O-N 2.9Å; A144-Y180 HydrophobicContact CB-CE2 3.8Å; A144-Y180 WeakPolarHBondContact CB-OH 3.39Å; A144-Y245 HydrophobicContact CB-CD1 4.02Å; A144-Y245 CarbonylContact O-C 3.51Å; A144-Y245 WeakPolarHBondContact O-CA 3.4Å; A144-Y246 PolarHBondContact O-N 2.94Å
145	H	94.4	Very high	94.8	Very high	22 Å²	22	28.7 Å²	28.7	10%	0.102	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-69.2	-19.3	172.1	-78	-76.8	0	0	0	114	Q22 Y23 S142 F143 P147 Y245	Q22-H145 PolarHBondContact NE2-ND1 2.98Å; Q22-H145 VanDerWaalsContact NE2-ND1 3.11Å; Y23-H145 PolarHBondContact OH-CE1 2.85Å; Y23-H145 VanDerWaalsContact OH-CE1 3.31Å; Y23-H145 PolarHBondContact OH-NE2 3.3Å; S142-H145 VanDerWaalsContact O-CB 3.3Å; S142-H145 WeakPolarHBondContact O-CB 3.47Å; S142-H145 PolarHBondContact O-CD2 2.79Å; S142-H145 VanDerWaalsContact O-CD2 3.31Å; S142-H145 PolarHBondContact O-N 2.62Å; F143-H145 PolarHBondContact O-N 2.66Å; H145-P147 WeakPolarHBondContact O-CD 3.48Å; H145-Y245 AromaticContact CD2-CE1 3.88Å; H145-Y245 AromaticContact CE1-CE1 3.33Å; H145-Y245 WeakPolarHBondContact CE1-CE1 3.25Å; H145-Y245 AromaticContact CE1-CZ 3.83Å; H145-Y245 AromaticContact ND1-CE1 3.94Å; H145-Y245 AromaticContact NE2-CE1 3.25Å; H145-Y245 WeakPolarHBondContact NE2-CE1 3.15Å; H145-Y245 AromaticContact NE2-CZ 3.98Å
146	L	94.9	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-76.8	107.1	177.6	179.2	63	0	0	0	110	L19 W119 F143 A144 Q156 A159	L19-L146 HydrophobicContact CD1-CB 4.23Å; L19-L146 HydrophobicContact CD1-CD1 3.42Å; L19-L146 VanDerWaalsContact CD1-CD1 3.42Å; L19-L146 HydrophobicContact CD1-CG 4.4Å; W119-L146 HydrophobicContact CE3-CB 4.37Å; W119-L146 HydrophobicContact CE3-CD2 4.49Å; W119-L146 HydrophobicContact CZ3-CB 4.17Å; F143-L146 HydrophobicContact CE2-CD2 4.25Å; F143-L146 HydrophobicContact CZ-CD2 4.15Å; F143-L146 PolarHBondContact O-N 3.09Å; A144-L146 VanDerWaalsContact C-N 3.25Å; A144-L146 PolarHBondContact O-N 2.9Å; L146-Q156 HydrophobicContact CD2-CB 4.29Å; L146-Q156 HydrophobicContact CD2-CG 3.84Å; L146-Q156 HydrophobicContact CG-CG 3.95Å; L146-Q156 PolarHBondContact O-NE2 3.43Å; L146-A159 HydrophobicContact CD2-CB 3.5Å; L146-A159 VanDerWaalsContact CD2-CB 3.5Å
147	P	92.8	Very high	94.7	Very high	32 Å²	32	32.7 Å²	32.7	21%	0.208	18%	0.179	C	C	.	.			trans	-72.6	167.9	-178.5	32.9	-36.5	0	0	0	111.6	H145 F149	H145-P147 WeakPolarHBondContact O-CD 3.48Å; P147-F149 HydrophobicContact CB-CD1 4.34Å; P147-F149 HydrophobicContact CB-CD2 4.42Å; P147-F149 HydrophobicContact CB-CE1 3.96Å; P147-F149 HydrophobicContact CB-CE2 4.07Å; P147-F149 HydrophobicContact CB-CZ 3.8Å; P147-F149 HydrophobicContact CG-CD1 4.42Å; P147-F149 HydrophobicContact CG-CD2 3.74Å; P147-F149 HydrophobicContact CG-CE1 3.92Å; P147-F149 HydrophobicContact CG-CE2 3.16Å; P147-F149 HydrophobicContact CG-CG 4.33Å; P147-F149 HydrophobicContact CG-CZ 3.24Å
148	D	92.7	Very high	94.7	Very high	9 Å²	9	36 Å²	36	5%	0.048	20%	0.197	C	C	.	.			trans	-110.6	76.7	172	179.5	19	0	0	0	109.7	K150 G151 D152 Q153 H217 Y246	D148-K150 VanDerWaalsContact C-N 3.26Å; D148-K150 PolarHBondContact O-N 3.26Å; D148-G151 PolarHBondContact O-N 2.96Å; D148-G151 WeakPolarHBondContact OD1-CA 3.36Å; D148-G151 PolarHBondContact OD1-N 2.96Å; D148-G151 VanDerWaalsContact OD2-C 3.22Å; D148-G151 VanDerWaalsContact OD2-CA 3.24Å; D148-G151 WeakPolarHBondContact OD2-CA 3.24Å; D148-D152 PolarHBondContact OD1-N 3.13Å; D148-D152 VanDerWaalsContact OD1-N 3.12Å; D148-D152 PolarHBondContact OD2-N 2.87Å; D148-Q153 PolarHBondContact OD1-N 2.68Å; D148-Q153 PolarHBondContact OD2-N 2.53Å; D148-H217 PolarHBondContact O-CE1 2.9Å; D148-Y246 HydrophobicContact CB-CD2 3.65Å; D148-Y246 HydrophobicContact CB-CE2 3.4Å; D148-Y246 VanDerWaalsContact CB-CE2 3.4Å
149	F	84.8	Confident	94.7	Very high	117 Å²	117	36 Å²	36	51%	0.513	20%	0.197	S	C	.	.	S	Bend	trans	-69	-25.1	-177.7	-67.5	-52.7	0	0	0	113.5	P20 P147	P20-F149 HydrophobicContact CG-CE2 3.81Å; P20-F149 HydrophobicContact CG-CZ 4.06Å; P147-F149 HydrophobicContact CB-CD1 4.34Å; P147-F149 HydrophobicContact CB-CD2 4.42Å; P147-F149 HydrophobicContact CB-CE1 3.96Å; P147-F149 HydrophobicContact CB-CE2 4.07Å; P147-F149 HydrophobicContact CB-CZ 3.8Å; P147-F149 HydrophobicContact CG-CD1 4.42Å; P147-F149 HydrophobicContact CG-CD2 3.74Å; P147-F149 HydrophobicContact CG-CE1 3.92Å; P147-F149 HydrophobicContact CG-CE2 3.16Å; P147-F149 HydrophobicContact CG-CG 4.33Å; P147-F149 HydrophobicContact CG-CZ 3.24Å
150	K	88.6	Confident	94.8	Very high	131 Å²	131	35.9 Å²	35.9	57%	0.57	20%	0.196	S	C	*	.	S	Bend	trans	-87.1	-20.6	-178.9	-66.1	173.1	-170.3	158.5	0	112.5	D148 D152 S154 E155	D148-K150 VanDerWaalsContact C-N 3.26Å; D148-K150 PolarHBondContact O-N 3.26Å; K150-D152 VanDerWaalsContact C-N 3.33Å; K150-D152 WeakPolarHBondContact CB-OD1 3.43Å; K150-S154 WeakPolarHBondContact CD-OG 3.41Å; K150-E155 VanDerWaalsContact CE-OE1 3.25Å; K150-E155 WeakPolarHBondContact CE-OE1 3.38Å; K150-E155 IonicContact NZ-OE1 2.69Å; K150-E155 PolarHBondContact NZ-OE1 2.88Å
151	G	90.1	Very high	95.1	Very high	55 Å²	55	41.1 Å²	41.1	57%	0.567	21%	0.209	S	C	*	.	S	Bend	trans	81.2	10.6	-179.7	0	0	0	0	0	114.1	D148	D148-G151 PolarHBondContact O-N 2.96Å; D148-G151 WeakPolarHBondContact OD1-CA 3.36Å; D148-G151 PolarHBondContact OD1-N 2.96Å; D148-G151 VanDerWaalsContact OD2-C 3.22Å; D148-G151 VanDerWaalsContact OD2-CA 3.24Å; D148-G151 WeakPolarHBondContact OD2-CA 3.24Å
152	D	93.8	Very high	95.2	Very high	91 Å²	91	42 Å²	42	49%	0.487	21%	0.214	S	C	.	.	S	Bend	trans	-122.6	0.9	-176.7	71.3	-4.1	0	0	0	113.4	D148 K150 S154	D148-D152 PolarHBondContact OD1-N 3.13Å; D148-D152 VanDerWaalsContact OD1-N 3.12Å; D148-D152 PolarHBondContact OD2-N 2.87Å; K150-D152 VanDerWaalsContact C-N 3.33Å; K150-D152 WeakPolarHBondContact CB-OD1 3.43Å; D152-S154 PolarHBondContact O-N 2.98Å; D152-S154 VanDerWaalsContact O-N 3.14Å; D152-S154 WeakPolarHBondContact OD1-CB 3.27Å; D152-S154 PolarHBondContact OD1-N 3.41Å; D152-S154 PolarHBondContact OD1-OG 3.32Å; D152-S154 PolarHBondContact OD2-OG 3.32Å
153	Q	95.8	Very high	95.4	Very high	26 Å²	26	40.9 Å²	40.9	12%	0.121	21%	0.206	C	C	.	.			trans	57.3	19.6	-176.5	-52.3	-170.7	-82.3	0	0	114.3	D148 E155 Q156 R157 Y246	D148-Q153 PolarHBondContact OD1-N 2.68Å; D148-Q153 PolarHBondContact OD2-N 2.53Å; Q153-E155 VanDerWaalsContact C-N 3.3Å; Q153-E155 PolarHBondContact O-N 2.77Å; Q153-Q156 HydrophobicContact CB-CB 4.37Å; Q153-Q156 PolarHBondContact O-N 2.9Å; Q153-R157 WeakPolarHBondContact O-CG 3.41Å; Q153-R157 PolarHBondContact O-N 2.83Å; Q153-Y246 VanDerWaalsContact CD-OH 3.3Å; Q153-Y246 VanDerWaalsContact NE2-CE1 3.28Å; Q153-Y246 PolarHBondContact NE2-OH 3.17Å; Q153-Y246 VanDerWaalsContact NE2-OH 3.09Å
154	S	96.8	Very high	95.3	Very high	36 Å²	36	40.8 Å²	40.8	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-59.2	-39.7	-177.7	52.5	0	0	0	0	112.8	K150 D152 R157 L158	K150-S154 WeakPolarHBondContact CD-OG 3.41Å; D152-S154 PolarHBondContact O-N 2.98Å; D152-S154 VanDerWaalsContact O-N 3.14Å; D152-S154 WeakPolarHBondContact OD1-CB 3.27Å; D152-S154 PolarHBondContact OD1-N 3.41Å; D152-S154 PolarHBondContact OD1-OG 3.32Å; D152-S154 PolarHBondContact OD2-OG 3.32Å; S154-R157 PolarHBondContact O-N 3.2Å; S154-L158 WeakPolarHBondContact O-CB 3.31Å; S154-L158 PolarHBondContact O-N 3.02Å
155	E	95.8	Very high	95.3	Very high	28 Å²	28	42.2 Å²	42.2	13%	0.131	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-39.1	177.2	-73	170.8	174.6	0	0	111.9	L120 K150 Q153 L158 A159	L120-E155 HydrophobicContact CD2-CB 4Å; L120-E155 HydrophobicContact CD2-CG 4.42Å; L120-E155 WeakPolarHBondContact CD2-O 3.32Å; K150-E155 VanDerWaalsContact CE-OE1 3.25Å; K150-E155 WeakPolarHBondContact CE-OE1 3.38Å; K150-E155 IonicContact NZ-OE1 2.69Å; K150-E155 PolarHBondContact NZ-OE1 2.88Å; Q153-E155 VanDerWaalsContact C-N 3.3Å; Q153-E155 PolarHBondContact O-N 2.77Å; E155-L158 PolarHBondContact O-N 3Å; E155-A159 VanDerWaalsContact O-CB 3.32Å; E155-A159 WeakPolarHBondContact O-CB 3.17Å; E155-A159 PolarHBondContact O-N 3.4Å
156	Q	97.9	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-40.9	175.3	-65.3	161	-10.4	0	0	111.2	F143 L146 Q153 L158 A159 L160	F143-Q156 HydrophobicContact CE1-CB 4.31Å; F143-Q156 HydrophobicContact CE1-CG 4.44Å; F143-Q156 HydrophobicContact CZ-CB 4.07Å; F143-Q156 HydrophobicContact CZ-CG 4.43Å; L146-Q156 HydrophobicContact CD2-CB 4.29Å; L146-Q156 HydrophobicContact CD2-CG 3.84Å; L146-Q156 HydrophobicContact CG-CG 3.95Å; L146-Q156 PolarHBondContact O-NE2 3.43Å; Q153-Q156 HydrophobicContact CB-CB 4.37Å; Q153-Q156 PolarHBondContact O-N 2.9Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3Å; Q156-A159 PolarHBondContact O-N 2.87Å; Q156-L160 WeakPolarHBondContact O-CB 3.4Å; Q156-L160 WeakPolarHBondContact O-CG 3.38Å; Q156-L160 PolarHBondContact O-N 3.15Å
157	R	98.4	Very high	95.6	Very high	84 Å²	84	41.2 Å²	41.2	32%	0.317	21%	0.21	S	C	.	.	H	α-helix	trans	-64.6	-36.4	173.5	-70	172.5	-176.7	-77.1	-2.9	112.4	Q153 S154 R161 L256 D259	Q153-R157 WeakPolarHBondContact O-CG 3.41Å; Q153-R157 PolarHBondContact O-N 2.83Å; S154-R157 PolarHBondContact O-N 3.2Å; R157-R161 WeakPolarHBondContact O-CB 3.2Å; R157-R161 WeakPolarHBondContact O-CG 3.41Å; R157-R161 PolarHBondContact O-N 3.01Å; R157-R161 PolarHBondContact O-NE 2.76Å; R157-L256 HydrophobicContact CG-CD2 3.5Å; R157-L256 VanDerWaalsContact CG-CD2 3.5Å; R157-D259 IonicContact CZ-OD2 3.51Å; R157-D259 IonicContact NH1-OD2 3.56Å; R157-D259 PolarHBondContact NH1-OD2 2.82Å
158	L	98	Very high	95.8	Very high	71 Å²	71	43.7 Å²	43.7	37%	0.372	22%	0.216	S	C	.	.	H	α-helix	trans	-69.1	-49.7	175.6	176.8	60.2	0	0	0	110.6	L120 S154 E155 Q156 L160 R161 N162	L120-L158 HydrophobicContact CD2-CD2 4.35Å; S154-L158 WeakPolarHBondContact O-CB 3.31Å; S154-L158 PolarHBondContact O-N 3.02Å; E155-L158 PolarHBondContact O-N 3Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3Å; L158-L160 PolarHBondContact O-N 3.33Å; L158-R161 WeakPolarHBondContact O-CB 3.35Å; L158-R161 PolarHBondContact O-N 3.11Å; L158-R161 VanDerWaalsContact O-N 3.14Å; L158-N162 WeakPolarHBondContact O-CB 3.13Å; L158-N162 PolarHBondContact O-N 2.86Å
159	A	98.4	Very high	96	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.9	-48.2	177.9	0	0	0	0	0	112	W119 L120 F143 L146 E155 Q156 R161 N162 I163	W119-A159 HydrophobicContact CB-CB 3.69Å; L120-A159 HydrophobicContact CD2-CB 4.14Å; F143-A159 HydrophobicContact CE2-CB 3.87Å; F143-A159 HydrophobicContact CZ-CB 4.33Å; L146-A159 HydrophobicContact CD2-CB 3.5Å; L146-A159 VanDerWaalsContact CD2-CB 3.5Å; E155-A159 VanDerWaalsContact O-CB 3.32Å; E155-A159 WeakPolarHBondContact O-CB 3.17Å; E155-A159 PolarHBondContact O-N 3.4Å; Q156-A159 PolarHBondContact O-N 2.87Å; A159-R161 PolarHBondContact O-N 3Å; A159-N162 PolarHBondContact O-N 3.46Å; A159-I163 WeakPolarHBondContact O-CB 3.19Å; A159-I163 VanDerWaalsContact O-CG1 3.24Å; A159-I163 WeakPolarHBondContact O-CG1 3.48Å; A159-I163 PolarHBondContact O-N 3.18Å
160	L	98.8	Very high	96.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-37.6	177.4	-71	171.7	0	0	0	112.6	F143 Q156 L158 I163 A164 I175 F253 L256 L257 A260	F143-L160 HydrophobicContact CD2-CD2 4.06Å; F143-L160 HydrophobicContact CE1-CD1 4.17Å; F143-L160 HydrophobicContact CE1-CD2 4.23Å; F143-L160 HydrophobicContact CE1-CG 4.13Å; F143-L160 HydrophobicContact CE2-CD2 3.62Å; F143-L160 HydrophobicContact CE2-CG 3.72Å; F143-L160 HydrophobicContact CZ-CD1 3.9Å; F143-L160 HydrophobicContact CZ-CD2 3.72Å; F143-L160 HydrophobicContact CZ-CG 3.44Å; F143-L160 VanDerWaalsContact CZ-CG 3.44Å; Q156-L160 WeakPolarHBondContact O-CB 3.4Å; Q156-L160 WeakPolarHBondContact O-CG 3.38Å; Q156-L160 PolarHBondContact O-N 3.15Å; L158-L160 PolarHBondContact O-N 3.33Å; L160-I163 PolarHBondContact O-N 3.14Å; L160-A164 WeakPolarHBondContact O-CB 3.32Å; L160-A164 PolarHBondContact O-N 3.03Å; L160-I175 HydrophobicContact CD2-CD1 3.79Å; L160-F253 HydrophobicContact CD1-CE2 4.43Å; L160-L256 HydrophobicContact CD1-CB 3.67Å; L160-L257 HydrophobicContact CD2-CD2 3.9Å; L160-A260 HydrophobicContact CB-CB 3.73Å
161	R	98.5	Very high	97	Very high	131 Å²	131	36.4 Å²	36.4	49%	0.494	20%	0.201	S	C	.	.	H	α-helix	trans	-62	-44.7	174.2	-85.5	-178.1	-90.9	177.5	-10.1	111.6	R157 L158 A159 A164 S165 A260	R157-R161 WeakPolarHBondContact O-CB 3.2Å; R157-R161 WeakPolarHBondContact O-CG 3.41Å; R157-R161 PolarHBondContact O-N 3.01Å; R157-R161 PolarHBondContact O-NE 2.76Å; L158-R161 WeakPolarHBondContact O-CB 3.35Å; L158-R161 PolarHBondContact O-N 3.11Å; L158-R161 VanDerWaalsContact O-N 3.14Å; A159-R161 PolarHBondContact O-N 3Å; R161-A164 PolarHBondContact O-N 3.23Å; R161-S165 WeakPolarHBondContact O-CB 3.28Å; R161-S165 PolarHBondContact O-N 3.49Å; R161-A260 HydrophobicContact CG-CB 4.3Å
162	N	98.4	Very high	97.4	Very high	22 Å²	22	33.8 Å²	33.8	12%	0.118	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-47.8	177.2	-75.9	-7.9	0	0	0	111.7	W119 L120 L122 P123 L158 A159 S165 M166	W119-N162 VanDerWaalsContact O-CB 3.24Å; W119-N162 WeakPolarHBondContact O-CB 3.33Å; W119-N162 PolarHBondContact O-ND2 3.13Å; L120-N162 VanDerWaalsContact C-ND2 3.26Å; L120-N162 PolarHBondContact O-ND2 2.95Å; L122-N162 HydrophobicContact CB-CB 4.25Å; P123-N162 HydrophobicContact CG-CB 4.07Å; L158-N162 WeakPolarHBondContact O-CB 3.13Å; L158-N162 PolarHBondContact O-N 2.86Å; A159-N162 PolarHBondContact O-N 3.46Å; N162-S165 WeakPolarHBondContact O-CB 3.28Å; N162-S165 PolarHBondContact O-N 2.99Å; N162-S165 PolarHBondContact O-OG 3.38Å; N162-M166 PolarHBondContact O-N 3.09Å
163	I	98.6	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59	-49.3	175	-68.4	166.8	0	0	0	110.6	V65 W119 L122 V136 F143 A159 L160 S165 M166 L173	V65-I163 HydrophobicContact CG2-CD1 4.2Å; V65-I163 HydrophobicContact CG2-CG1 4.25Å; V65-I163 HydrophobicContact CG2-CG2 4.38Å; W119-I163 HydrophobicContact CB-CD1 4.23Å; W119-I163 HydrophobicContact CB-CG1 4.46Å; W119-I163 HydrophobicContact CD2-CD1 4.2Å; W119-I163 HydrophobicContact CG-CD1 3.86Å; W119-I163 HydrophobicContact CG-CG1 4.32Å; L122-I163 HydrophobicContact CD2-CG1 4.09Å; V136-I163 HydrophobicContact CG1-CG2 3.93Å; F143-I163 HydrophobicContact CD2-CD1 4.21Å; F143-I163 HydrophobicContact CE2-CD1 4.28Å; A159-I163 WeakPolarHBondContact O-CB 3.19Å; A159-I163 VanDerWaalsContact O-CG1 3.24Å; A159-I163 WeakPolarHBondContact O-CG1 3.48Å; A159-I163 PolarHBondContact O-N 3.18Å; L160-I163 PolarHBondContact O-N 3.14Å; I163-S165 PolarHBondContact O-N 3.06Å; I163-M166 WeakPolarHBondContact O-CB 3.14Å; I163-M166 PolarHBondContact O-N 2.96Å; I163-L173 HydrophobicContact CG2-CD1 3.71Å; I163-L173 HydrophobicContact CG2-CD2 4.2Å
164	A	98	Very high	97.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-34.6	178.6	0	0	0	0	0	111.9	L160 R161 M166 V167 A260 F261 R293	L160-A164 WeakPolarHBondContact O-CB 3.32Å; L160-A164 PolarHBondContact O-N 3.03Å; R161-A164 PolarHBondContact O-N 3.23Å; A164-M166 PolarHBondContact O-N 2.84Å; A164-V167 WeakPolarHBondContact O-CB 3.5Å; A164-V167 PolarHBondContact O-N 2.79Å; A164-V167 VanDerWaalsContact O-N 3.08Å; A164-A260 HydrophobicContact CB-CB 4.16Å; A164-F261 HydrophobicContact CB-CD1 4.38Å; A164-F261 HydrophobicContact CB-CD2 3.95Å; A164-F261 HydrophobicContact CB-CE1 4.09Å; A164-F261 HydrophobicContact CB-CE2 3.63Å; A164-F261 HydrophobicContact CB-CG 4.33Å; A164-F261 HydrophobicContact CB-CZ 3.71Å; A164-R293 PolarHBondContact O-NH2 3.33Å
165	S	96.5	Very high	97.9	Very high	30 Å²	30	26.6 Å²	26.6	21%	0.21	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-21.7	177.2	83.3	0	0	0	0	113.3	R128 R161 N162 I163 V167	R128-S165 PolarHBondContact NE-O 3.01Å; R128-S165 VanDerWaalsContact NE-O 3.08Å; R128-S165 PolarHBondContact NH1-O 2.99Å; R128-S165 PolarHBondContact NH2-O 2.81Å; R161-S165 WeakPolarHBondContact O-CB 3.28Å; R161-S165 PolarHBondContact O-N 3.49Å; N162-S165 WeakPolarHBondContact O-CB 3.28Å; N162-S165 PolarHBondContact O-N 2.99Å; N162-S165 PolarHBondContact O-OG 3.38Å; I163-S165 PolarHBondContact O-N 3.06Å; S165-V167 VanDerWaalsContact C-N 3.31Å
166	M	98	Very high	98	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.8	175	-60	-54.9	145.6	0	0	113	L63 L122 P123 I126 R128 G132 Y133 V136 N162 I163 A164	L63-M166 HydrophobicContact CD2-CB 3.69Å; L63-M166 HydrophobicContact CD2-CG 3.7Å; L122-M166 HydrophobicContact CD2-CE 4.42Å; L122-M166 HydrophobicContact CD2-CG 3.76Å; L122-M166 HydrophobicContact CG-CE 4.08Å; L122-M166 HydrophobicContact CG-CG 4.25Å; P123-M166 VanDerWaalsContact CA-CE 3.41Å; P123-M166 HydrophobicContact CB-CE 3.86Å; P123-M166 HydrophobicContact CG-CE 3.81Å; I126-M166 HydrophobicContact CD1-SD 4.43Å; R128-M166 HydrophobicContact CB-SD 4.01Å; R128-M166 HydrophobicContact CG-SD 3.93Å; G132-M166 WeakPolarHBondContact CA-O 3.46Å; Y133-M166 HydrophobicContact CD2-CB 4.13Å; Y133-M166 WeakPolarHBondContact CD2-O 3.26Å; Y133-M166 PolarHBondContact N-O 3.44Å; V136-M166 HydrophobicContact CG2-CB 3.84Å; N162-M166 PolarHBondContact O-N 3.09Å; I163-M166 WeakPolarHBondContact O-CB 3.14Å; I163-M166 PolarHBondContact O-N 2.96Å; A164-M166 PolarHBondContact O-N 2.84Å
167	V	98	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.2	180	-173	0	0	0	0	109.8	V136 A164 S165 L173 F261 R293	V136-V167 HydrophobicContact CB-CG2 3.95Å; V136-V167 HydrophobicContact CG2-CB 4.38Å; V136-V167 HydrophobicContact CG2-CG2 3.54Å; A164-V167 WeakPolarHBondContact O-CB 3.5Å; A164-V167 PolarHBondContact O-N 2.79Å; A164-V167 VanDerWaalsContact O-N 3.08Å; S165-V167 VanDerWaalsContact C-N 3.31Å; V167-L173 HydrophobicContact CG2-CB 3.95Å; V167-F261 HydrophobicContact CB-CE1 4.33Å; V167-F261 HydrophobicContact CG2-CE1 4.37Å; V167-F261 HydrophobicContact CG2-CZ 4.13Å; V167-R293 HydrophobicContact CG1-CB 4.14Å; V167-R293 WeakPolarHBondContact O-CD 3.48Å; V167-R293 PolarHBondContact O-NE 3.05Å
168	R	96.9	Very high	97.8	Very high	85 Å²	85	22.1 Å²	22.1	32%	0.321	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	158.2	176.2	77.3	176.2	177.6	106.3	-2.2	113	D131 Y133 D134 G170 G171 R293	D131-R168 HydrophobicContact CB-CB 4.39Å; D131-R168 WeakPolarHBondContact O-CA 3.19Å; D131-R168 WeakPolarHBondContact O-CB 3.33Å; Y133-R168 WeakPolarHBondContact O-CG 3.24Å; Y133-R168 PolarHBondContact O-N 3.04Å; D134-R168 IonicContact OD1-CZ 3.05Å; D134-R168 IonicContact OD1-NE 2.64Å; D134-R168 PolarHBondContact OD1-NE 3.09Å; D134-R168 IonicContact OD1-NH2 2.76Å; D134-R168 PolarHBondContact OD1-NH2 2.95Å; R168-G170 PolarHBondContact O-N 2.92Å; R168-G171 WeakPolarHBondContact O-CA 3.38Å; R168-G171 PolarHBondContact O-N 3.16Å; R168-R293 WeakPolarHBondContact O-CD 3.49Å
169	P	96.1	Very high	97.6	Very high	63 Å²	63	19.2 Å²	19.2	41%	0.409	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	125.3	166.3	-27.6	36.7	0	0	0	111.5	D131 G171 A295	D131-P169 WeakPolarHBondContact O-CD 3.35Å; P169-G171 PolarHBondContact O-N 3.19Å; P169-A295 VanDerWaalsContact CB-OXT 3.23Å; P169-A295 WeakPolarHBondContact CB-OXT 3.46Å; P169-A295 WeakPolarHBondContact CG-OXT 3.43Å
170	G	96.4	Very high	97.6	Very high	38 Å²	38	19.2 Å²	19.2	39%	0.392	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.4	-7.6	-174	0	0	0	0	0	115.6	R168 R293	R168-G170 PolarHBondContact O-N 2.92Å; G170-R293 WeakPolarHBondContact CA-O 3.15Å; G170-R293 PolarHBondContact N-O 2.85Å
171	G	97.9	Very high	97.4	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	173.7	174.8	0	0	0	0	0	113	D134 R168 P169 K292 R293	D134-G171 CarbonylContact O-C 3.59Å; D134-G171 WeakPolarHBondContact O-CA 3.25Å; R168-G171 WeakPolarHBondContact O-CA 3.38Å; R168-G171 PolarHBondContact O-N 3.16Å; P169-G171 PolarHBondContact O-N 3.19Å; G171-K292 WeakPolarHBondContact O-CA 3.44Å; G171-R293 PolarHBondContact O-N 3.1Å
172	I	98.6	Very high	97.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.4	-176	63.7	175.6	0	0	0	113.2	L53 L54 H57 V59 D134 A135 V136 I174 C291 K292	L53-I172 HydrophobicContact CG-CD1 4.4Å; L54-I172 HydrophobicContact CD2-CD1 4.26Å; H57-I172 HydrophobicContact CB-CD1 4.19Å; V59-I172 HydrophobicContact CG2-CD1 4.41Å; V59-I172 HydrophobicContact CG2-CG1 4.49Å; D134-I172 PolarHBondContact O-N 2.95Å; A135-I172 CarbonylContact C-O 3.49Å; A135-I172 WeakPolarHBondContact CA-O 3.46Å; A135-I172 HydrophobicContact CB-CD1 4.46Å; A135-I172 HydrophobicContact CB-CG1 3.77Å; V136-I172 PolarHBondContact N-O 3.11Å; I172-I174 HydrophobicContact CD1-CD1 4.19Å; I172-I174 HydrophobicContact CD1-CG1 4.24Å; I172-C291 CarbonylContact C-O 3.55Å; I172-C291 VanDerWaalsContact CA-O 3.3Å; I172-C291 WeakPolarHBondContact CA-O 3.19Å; I172-K292 HydrophobicContact CG2-CB 3.87Å; I172-K292 HydrophobicContact CG2-CG 4.04Å
173	L	98.8	Very high	97	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.8	161.8	170.3	65.3	0	0	0	108.7	V136 I163 V167 I175 L257 F261 V290 C291	V136-L173 HydrophobicContact CB-CD1 3.95Å; V136-L173 HydrophobicContact CG1-CD1 3.95Å; V136-L173 CarbonylContact O-C 3.59Å; V136-L173 WeakPolarHBondContact O-CA 3.15Å; V136-L173 WeakPolarHBondContact O-CD1 3.48Å; I163-L173 HydrophobicContact CG2-CD1 3.71Å; I163-L173 HydrophobicContact CG2-CD2 4.2Å; V167-L173 HydrophobicContact CG2-CB 3.95Å; L173-I175 HydrophobicContact CD1-CB 4.2Å; L173-I175 HydrophobicContact CD2-CB 4.42Å; L173-I175 HydrophobicContact CD2-CG2 3.91Å; L173-I175 HydrophobicContact CG-CB 4.16Å; L173-I175 HydrophobicContact CG-CG2 3.93Å; L173-L257 HydrophobicContact CD2-CD2 4.08Å; L173-F261 HydrophobicContact CB-CE2 4.42Å; L173-F261 HydrophobicContact CB-CZ 3.92Å; L173-F261 HydrophobicContact CD2-CE2 3.82Å; L173-F261 HydrophobicContact CD2-CZ 4.05Å; L173-V290 WeakPolarHBondContact O-CA 3.28Å; L173-C291 HydrophobicContact CB-CB 4.22Å; L173-C291 PolarHBondContact N-O 3.17Å; L173-C291 PolarHBondContact O-N 3.16Å
174	I	98.8	Very high	96.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	109.4	169.8	-47.3	172.7	0	0	0	107.6	W49 L53 L54 V136 I137 C138 L139 I172 I288 H289 V290	W49-I174 HydrophobicContact CH2-CG2 4.28Å; W49-I174 HydrophobicContact CZ3-CG2 4.18Å; L53-I174 HydrophobicContact CD2-CD1 3.74Å; L53-I174 HydrophobicContact CD2-CG1 4.26Å; L54-I174 HydrophobicContact CD2-CD1 3.92Å; V136-I174 PolarHBondContact O-N 3.46Å; I137-I174 CarbonylContact C-O 3.57Å; I137-I174 WeakPolarHBondContact CA-O 3.41Å; I137-I174 HydrophobicContact CG2-CB 4.2Å; I137-I174 HydrophobicContact CG2-CD1 4.2Å; I137-I174 HydrophobicContact CG2-CG1 4.44Å; C138-I174 PolarHBondContact N-O 3.31Å; L139-I174 HydrophobicContact CD2-CG2 3.9Å; I172-I174 HydrophobicContact CD1-CD1 4.19Å; I172-I174 HydrophobicContact CD1-CG1 4.24Å; I174-I288 HydrophobicContact CG2-CG2 3.73Å; I174-H289 WeakPolarHBondContact CA-O 3.43Å; I174-V290 HydrophobicContact CG2-CG2 4.42Å
175	I	98.8	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.4	-176.7	-176.8	163.9	0	0	0	110.5	C138 F143 L160 L173 F253 L257 H289	C138-I175 HydrophobicContact CB-CB 4.21Å; C138-I175 HydrophobicContact CB-CD1 3.97Å; C138-I175 HydrophobicContact CB-CG1 3.84Å; C138-I175 VanDerWaalsContact O-CA 3.28Å; C138-I175 WeakPolarHBondContact O-CA 3.43Å; F143-I175 HydrophobicContact CB-CD1 3.99Å; F143-I175 HydrophobicContact CB-CG1 4.45Å; F143-I175 HydrophobicContact CD2-CD1 4.14Å; F143-I175 HydrophobicContact CG-CD1 4.05Å; L160-I175 HydrophobicContact CD2-CD1 3.79Å; L173-I175 HydrophobicContact CD1-CB 4.2Å; L173-I175 HydrophobicContact CD2-CB 4.42Å; L173-I175 HydrophobicContact CD2-CG2 3.91Å; L173-I175 HydrophobicContact CG-CB 4.16Å; L173-I175 HydrophobicContact CG-CG2 3.93Å; I175-F253 HydrophobicContact CD1-CZ 3.86Å; I175-F253 HydrophobicContact CG1-CE1 4.3Å; I175-F253 HydrophobicContact CG1-CZ 4Å; I175-F253 HydrophobicContact CG2-CE1 4.23Å; I175-L257 HydrophobicContact CG2-CD1 4.13Å; I175-L257 HydrophobicContact CG2-CD2 3.78Å; I175-H289 HydrophobicContact CG2-CB 3.97Å; I175-H289 PolarHBondContact N-O 3.43Å; I175-H289 WeakPolarHBondContact O-CA 3.44Å; I175-H289 WeakPolarHBondContact O-CB 3.4Å; I175-H289 PolarHBondContact O-N 3.47Å
176	D	98.3	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	165.6	-177.9	82.3	-34.4	0	0	0	113.6	C138 L139 G140 N141 Y196 Y286 F287 I288	C138-D176 PolarHBondContact O-N 2.78Å; C138-D176 VanDerWaalsContact O-N 3.14Å; L139-D176 WeakPolarHBondContact CA-OD1 3.16Å; L139-D176 HydrophobicContact CD2-CB 4.13Å; G140-D176 VanDerWaalsContact N-CG 3.32Å; G140-D176 PolarHBondContact N-OD1 3.33Å; G140-D176 PolarHBondContact N-OD2 3.48Å; G140-D176 VanDerWaalsContact N-OD2 3.08Å; N141-D176 VanDerWaalsContact N-CG 3.27Å; N141-D176 PolarHBondContact N-OD1 3.09Å; N141-D176 PolarHBondContact N-OD2 3.47Å; D176-Y196 WeakPolarHBondContact OD2-CE2 3.29Å; D176-Y196 PolarHBondContact OD2-OH 2.85Å; D176-Y286 WeakPolarHBondContact OD2-CD1 3.28Å; D176-F287 CarbonylContact C-O 3.59Å; D176-F287 WeakPolarHBondContact CA-O 3.1Å; D176-F287 WeakPolarHBondContact CB-O 3.14Å; D176-I288 HydrophobicContact CB-CG1 4.13Å
177	H	97.6	Very high	96.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.2	161.7	64.1	92.7	0	0	0	110	N141 Y180 H248 F253 Y286 F287 H289	N141-H177 WeakPolarHBondContact OD1-CA 3.38Å; H177-Y180 HydrophobicContact CB-CE2 4.39Å; H177-H248 PolarHBondContact CE1-O 3.42Å; H177-H248 VanDerWaalsContact CE1-O 3.31Å; H177-H248 PolarHBondContact ND1-O 2.95Å; H177-F253 AromaticContact CD2-CD1 3.25Å; H177-F253 WeakPolarHBondContact CD2-CD1 3.42Å; H177-F253 AromaticContact CD2-CE1 3.67Å; H177-F253 AromaticContact CD2-CG 3.66Å; H177-F253 AromaticContact NE2-CD1 3.58Å; H177-F253 AromaticContact NE2-CG 3.8Å; H177-Y286 WeakPolarHBondContact O-CA 3.5Å; H177-F287 AromaticContact CE1-CD2 3.68Å; H177-F287 PolarHBondContact N-O 2.96Å; H177-F287 PolarHBondContact O-N 3.27Å; H177-H289 AromaticContact CD2-CD2 3.97Å; H177-H289 AromaticContact CD2-NE2 3.58Å; H177-H289 AromaticContact NE2-NE2 3.21Å; H177-H289 PolarHBondContact NE2-NE2 2.86Å
178	R	94.3	Very high	96	Very high	17 Å²	17	36.7 Å²	36.7	6%	0.064	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	155.2	170.4	-87	-178.3	173.1	-113.5	-3.1	110.1	N141 Y180 I183 C285 Y286	N141-R178 HydrophobicContact CB-CG 4.12Å; N141-R178 PolarHBondContact OD1-N 3.24Å; R178-Y180 HydrophobicContact CB-CD2 4.4Å; R178-Y180 HydrophobicContact CB-CE1 4.23Å; R178-Y180 HydrophobicContact CB-CE2 4.05Å; R178-Y180 VanDerWaalsContact O-CD2 3.28Å; R178-Y180 WeakPolarHBondContact O-CD2 3.47Å; R178-Y180 PolarHBondContact O-N 2.78Å; R178-I183 HydrophobicContact CB-CD1 4.47Å; R178-C285 WeakPolarHBondContact CA-O 3.1Å; R178-Y286 HydrophobicContact CG-CD1 3.96Å; R178-Y286 HydrophobicContact CG-CE1 3.57Å; R178-Y286 PolarHBondContact NH2-OH 2.99Å
179	N	95	Very high	95.3	Very high	10 Å²	10	33 Å²	33	5%	0.053	18%	0.176	C	C	.	.			trans	-70.5	77.8	171.9	-174.3	-9.1	0	0	0	110.9	D181 Y182 I183 P284 C285 F287	N179-D181 VanDerWaalsContact C-N 3.26Å; N179-D181 PolarHBondContact O-N 3.37Å; N179-Y182 PolarHBondContact O-N 3.33Å; N179-Y182 PolarHBondContact OD1-N 3.45Å; N179-I183 WeakPolarHBondContact O-CG1 3.42Å; N179-I183 PolarHBondContact O-N 2.78Å; N179-P284 WeakPolarHBondContact CB-O 3.32Å; N179-P284 PolarHBondContact ND2-O 3.35Å; N179-C285 PolarHBondContact N-O 2.93Å; N179-F287 HydrophobicContact CB-CD2 4.26Å; N179-F287 HydrophobicContact CB-CE2 3.83Å; N179-F287 HydrophobicContact CB-CZ 4.44Å; N179-F287 VanDerWaalsContact CG-CE2 3.47Å; N179-F287 WeakPolarHBondContact OD1-CE2 3.2Å
180	Y	96.6	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-70.7	-22.4	179.4	-69.2	-63.6	0	0	0	112.6	N141 A144 H177 R178 Y182 I183 L184 I219 Y245 P247 H248	N141-Y180 PolarHBondContact ND2-OH 2.89Å; N141-Y180 WeakPolarHBondContact OD1-CE2 3.3Å; N141-Y180 PolarHBondContact OD1-OH 2.77Å; A144-Y180 HydrophobicContact CB-CE2 3.8Å; A144-Y180 WeakPolarHBondContact CB-OH 3.39Å; H177-Y180 HydrophobicContact CB-CE2 4.39Å; R178-Y180 HydrophobicContact CB-CD2 4.4Å; R178-Y180 HydrophobicContact CB-CE1 4.23Å; R178-Y180 HydrophobicContact CB-CE2 4.05Å; R178-Y180 VanDerWaalsContact O-CD2 3.28Å; R178-Y180 WeakPolarHBondContact O-CD2 3.47Å; R178-Y180 PolarHBondContact O-N 2.78Å; Y180-Y182 VanDerWaalsContact C-N 3.34Å; Y180-I183 HydrophobicContact CD1-CD1 3.81Å; Y180-I183 HydrophobicContact CE1-CD1 4.11Å; Y180-I183 PolarHBondContact O-N 2.87Å; Y180-L184 VanDerWaalsContact O-CB 3.29Å; Y180-L184 WeakPolarHBondContact O-CB 3.45Å; Y180-L184 WeakPolarHBondContact O-CG 3.42Å; Y180-L184 PolarHBondContact O-N 3.48Å; Y180-I219 HydrophobicContact CD1-CD1 3.39Å; Y180-I219 HydrophobicContact CE1-CB 4.41Å; Y180-I219 HydrophobicContact CE1-CD1 3.87Å; Y180-I219 HydrophobicContact CG-CD1 4.37Å; Y180-Y245 WeakPolarHBondContact OH-CB 3.34Å; Y180-Y245 WeakPolarHBondContact OH-CD1 3.46Å; Y180-Y245 VanDerWaalsContact OH-CG 3.28Å; Y180-P247 HydrophobicContact CD1-CB 4.3Å; Y180-P247 HydrophobicContact CG-CB 4.27Å; Y180-H248 WeakPolarHBondContact CB-O 3.39Å; Y180-H248 HydrophobicContact CD2-CB 4.33Å; Y180-H248 WeakPolarHBondContact CD2-O 3.36Å
181	D	96	Very high	92.7	Very high	41 Å²	41	37.7 Å²	37.7	22%	0.219	18%	0.184	C	C	.	.	H	α-helix	trans	-57.3	-49.2	170.3	-67.2	-76	0	0	0	110.8	N179 L184 E185 R249 L250	N179-D181 VanDerWaalsContact C-N 3.26Å; N179-D181 PolarHBondContact O-N 3.37Å; D181-L184 PolarHBondContact O-N 2.94Å; D181-E185 WeakPolarHBondContact O-CB 3.48Å; D181-E185 PolarHBondContact O-N 3.48Å; D181-E185 VanDerWaalsContact O-N 3.09Å; D181-R249 WeakPolarHBondContact OD1-CB 3.44Å; D181-R249 VanDerWaalsContact OD1-CG 3.29Å; D181-R249 WeakPolarHBondContact OD1-CG 3.47Å; D181-R249 IonicContact OD1-CZ 3.35Å; D181-R249 IonicContact OD1-NH1 2.77Å; D181-R249 PolarHBondContact OD1-NH1 3.06Å; D181-R249 WeakPolarHBondContact OD2-CA 3.4Å; D181-L250 PolarHBondContact OD2-N 2.67Å
182	Y	94.1	Very high	90.8	Very high	72 Å²	72	40.6 Å²	40.6	28%	0.282	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-42.9	174.2	179	-85.1	0	0	0	112.6	N179 Y180 L184 E185 T186 R188 P190 P283	N179-Y182 PolarHBondContact O-N 3.33Å; N179-Y182 PolarHBondContact OD1-N 3.45Å; Y180-Y182 VanDerWaalsContact C-N 3.34Å; Y182-L184 PolarHBondContact O-N 2.92Å; Y182-E185 PolarHBondContact O-N 3.4Å; Y182-T186 HydrophobicContact CD1-CG2 4.3Å; Y182-T186 HydrophobicContact CD2-CG2 4.12Å; Y182-T186 HydrophobicContact CE1-CG2 3.97Å; Y182-T186 WeakPolarHBondContact CE1-OG1 3.3Å; Y182-T186 HydrophobicContact CE2-CG2 3.79Å; Y182-T186 HydrophobicContact CG-CG2 4.37Å; Y182-T186 WeakPolarHBondContact O-CB 3.39Å; Y182-T186 WeakPolarHBondContact O-CG2 3.44Å; Y182-T186 PolarHBondContact O-N 3.13Å; Y182-T186 PolarHBondContact O-OG1 3.26Å; Y182-R188 WeakPolarHBondContact CE1-O 3.43Å; Y182-P190 HydrophobicContact CD1-CB 4.41Å; Y182-P190 HydrophobicContact CD1-CG 3.61Å; Y182-P190 HydrophobicContact CE1-CB 4.32Å; Y182-P190 HydrophobicContact CE1-CG 3.99Å; Y182-P190 HydrophobicContact CG-CG 4.33Å; Y182-P283 HydrophobicContact CD2-CB 4.2Å; Y182-P283 HydrophobicContact CD2-CG 3.79Å; Y182-P283 HydrophobicContact CE2-CG 3.81Å
183	I	94.8	Very high	89.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-41.4	-178.3	-60.5	175.8	0	0	0	111.1	R178 N179 Y180 E185 G187 A189 T207 I219	R178-I183 HydrophobicContact CB-CD1 4.47Å; N179-I183 WeakPolarHBondContact O-CG1 3.42Å; N179-I183 PolarHBondContact O-N 2.78Å; Y180-I183 HydrophobicContact CD1-CD1 3.81Å; Y180-I183 HydrophobicContact CE1-CD1 4.11Å; Y180-I183 PolarHBondContact O-N 2.87Å; I183-E185 VanDerWaalsContact C-N 3.32Å; I183-G187 WeakPolarHBondContact O-CA 3.45Å; I183-G187 PolarHBondContact O-N 3.24Å; I183-A189 HydrophobicContact CD1-CB 4.5Å; I183-T207 HydrophobicContact CG2-CG2 3.75Å; I183-I219 HydrophobicContact CB-CD1 4.13Å; I183-I219 HydrophobicContact CG2-CD1 3.68Å; I183-I219 HydrophobicContact CG2-CG2 4.4Å
184	L	96.3	Very high	87.8	Confident	18 Å²	18	50.8 Å²	50.8	9%	0.094	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-32.9	178.7	-70.4	175.1	0	0	0	112.3	Y180 D181 Y182 V209 W211 P216 I219 P247 R249	Y180-L184 VanDerWaalsContact O-CB 3.29Å; Y180-L184 WeakPolarHBondContact O-CB 3.45Å; Y180-L184 WeakPolarHBondContact O-CG 3.42Å; Y180-L184 PolarHBondContact O-N 3.48Å; D181-L184 PolarHBondContact O-N 2.94Å; Y182-L184 PolarHBondContact O-N 2.92Å; L184-V209 HydrophobicContact CD2-CG1 3.74Å; L184-W211 HydrophobicContact CD2-CZ2 4.26Å; L184-P216 HydrophobicContact CD1-CB 3.99Å; L184-P216 HydrophobicContact CD1-CG 3.83Å; L184-P216 HydrophobicContact CD2-CB 3.5Å; L184-P216 VanDerWaalsContact CD2-CB 3.5Å; L184-P216 HydrophobicContact CD2-CG 4.27Å; L184-P216 HydrophobicContact CG-CB 4.4Å; L184-I219 HydrophobicContact CD2-CD1 4.01Å; L184-I219 HydrophobicContact CD2-CG1 4.48Å; L184-I219 HydrophobicContact CG-CD1 4.35Å; L184-P247 HydrophobicContact CD1-CB 4.18Å; L184-P247 HydrophobicContact CD2-CB 4.21Å; L184-P247 HydrophobicContact CG-CB 4.38Å; L184-R249 HydrophobicContact CD1-CG 4.23Å
185	E	94.9	Very high	86.6	Confident	166 Å²	166	52 Å²	52	78%	0.776	27%	0.266	S	S	*	.	H	α-helix	trans	-74	-43.2	176.8	-176.3	173.7	-168.4	0	0	112.3	D181 Y182 I183	D181-E185 WeakPolarHBondContact O-CB 3.48Å; D181-E185 PolarHBondContact O-N 3.48Å; D181-E185 VanDerWaalsContact O-N 3.09Å; Y182-E185 PolarHBondContact O-N 3.4Å; I183-E185 VanDerWaalsContact C-N 3.32Å
186	T	93.6	Very high	85.1	Confident	54 Å²	54	52 Å²	52	33%	0.331	27%	0.266	S	S	.	.	H	α-helix	trans	-98.4	-15	-171.6	64.3	0	0	0	0	114.2	Y182 R188	Y182-T186 HydrophobicContact CD1-CG2 4.3Å; Y182-T186 HydrophobicContact CD2-CG2 4.12Å; Y182-T186 HydrophobicContact CE1-CG2 3.97Å; Y182-T186 WeakPolarHBondContact CE1-OG1 3.3Å; Y182-T186 HydrophobicContact CE2-CG2 3.79Å; Y182-T186 HydrophobicContact CG-CG2 4.37Å; Y182-T186 WeakPolarHBondContact O-CB 3.39Å; Y182-T186 WeakPolarHBondContact O-CG2 3.44Å; Y182-T186 PolarHBondContact O-N 3.13Å; Y182-T186 PolarHBondContact O-OG1 3.26Å; T186-R188 PolarHBondContact O-N 3.2Å; T186-R188 PolarHBondContact OG1-N 3.38Å; T186-R188 PolarHBondContact OG1-O 3.48Å
187	G	92.6	Very high	83.6	Confident	33 Å²	33	53 Å²	53	34%	0.34	27%	0.27	S	S	.	.	S	Bend	trans	67.7	11.9	-170	0	0	0	0	0	113.7	I183 T207	I183-G187 WeakPolarHBondContact O-CA 3.45Å; I183-G187 PolarHBondContact O-N 3.24Å; G187-T207 WeakPolarHBondContact O-CB 3.37Å
188	R	88.9	Confident	81.9	Confident	169 Å²	169	58.5 Å²	58.5	64%	0.638	29%	0.294	S	S	*	.	S	Bend	trans	-132	132.9	-174.9	-63	-178.9	-176.2	-175.2	0.6	110.9	Y182 T186	Y182-R188 WeakPolarHBondContact CE1-O 3.43Å; T186-R188 PolarHBondContact O-N 3.2Å; T186-R188 PolarHBondContact OG1-N 3.38Å; T186-R188 PolarHBondContact OG1-O 3.48Å
189	A	82.3	Confident	80.5	Confident	8 Å²	8	59 Å²	59	7%	0.066	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-54	134.2	161.3	0	0	0	0	0	110	I183 Q191 I205 T207 L221	I183-A189 HydrophobicContact CD1-CB 4.5Å; A189-Q191 PolarHBondContact O-N 3.35Å; A189-Q191 VanDerWaalsContact O-N 3.17Å; A189-I205 HydrophobicContact CB-CG2 4.31Å; A189-T207 PolarHBondContact N-OG1 2.83Å; A189-T207 VanDerWaalsContact N-OG1 3.12Å; A189-L221 HydrophobicContact CB-CD2 4.39Å
190	P	72.9	Confident	78.9	Confident	21 Å²	21	64.9 Å²	64.9	14%	0.136	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-49.1	125.6	173.9	-26.5	31.6	0	0	0	110.5	Y182	Y182-P190 HydrophobicContact CD1-CB 4.41Å; Y182-P190 HydrophobicContact CD1-CG 3.61Å; Y182-P190 HydrophobicContact CE1-CB 4.32Å; Y182-P190 HydrophobicContact CE1-CG 3.99Å; Y182-P190 HydrophobicContact CG-CG 4.33Å
191	Q	65.8	Low	77.4	Confident	177 Å²	177	66.9 Å²	66.9	83%	0.827	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-83.6	125.3	174.9	-66.8	-167.9	-15.6	0	0	108.3	A189	A189-Q191 PolarHBondContact O-N 3.35Å; A189-Q191 VanDerWaalsContact O-N 3.17Å
192	G	58.7	Low	75.6	Confident	64 Å²	64	70.1 Å²	70.1	66%	0.66	36%	0.363	S	S	*	.	S	Bend	trans	167.6	171	-176.1	0	0	0	0	0	112.1	N194	G192-N194 PolarHBondContact O-N 2.78Å
193	K	63.4	Low	74.3	Confident	187 Å²	187	69.3 Å²	69.3	81%	0.813	36%	0.362	S	S	*	.			trans	-65.5	130.1	173.2	-69.4	-175.3	177.7	-178.3	0	108.9	I195	K193-I195 PolarHBondContact O-N 3.2Å
194	N	70.1	Confident	73.6	Confident	29 Å²	29	73.7 Å²	73.7	16%	0.155	39%	0.386	C	S	.	.			trans	-60.5	126.9	173	-173.3	-37.3	0	0	0	108.9	G192 Y196 Y197	G192-N194 PolarHBondContact O-N 2.78Å; N194-Y196 VanDerWaalsContact C-N 3.25Å; N194-Y196 PolarHBondContact O-N 2.93Å; N194-Y196 WeakPolarHBondContact OD1-CB 3.48Å; N194-Y196 PolarHBondContact OD1-N 3.27Å; N194-Y197 PolarHBondContact O-N 3.5Å; N194-Y197 PolarHBondContact OD1-N 3.46Å
195	I	73.6	Confident	73	Confident	25 Å²	25	75 Å²	75	13%	0.128	39%	0.393	C	S	.	.	S	Bend	trans	-70.9	-23.5	-175.6	65.4	173.1	0	0	0	112.8	T43 K193 D272 F273 Y286 I288	T43-I195 VanDerWaalsContact CG2-O 3.25Å; T43-I195 WeakPolarHBondContact CG2-O 3.47Å; T43-I195 PolarHBondContact OG1-O 3.48Å; K193-I195 PolarHBondContact O-N 3.2Å; I195-D272 HydrophobicContact CD1-CB 4.19Å; I195-D272 HydrophobicContact CG2-CB 3.98Å; I195-F273 HydrophobicContact CB-CE2 4.02Å; I195-F273 HydrophobicContact CD1-CD2 4.12Å; I195-F273 HydrophobicContact CD1-CE2 3.54Å; I195-F273 HydrophobicContact CD1-CZ 3.88Å; I195-F273 HydrophobicContact CG1-CE2 3.79Å; I195-F273 HydrophobicContact CG1-CZ 4.31Å; I195-Y286 HydrophobicContact CD1-CD2 3.52Å; I195-Y286 HydrophobicContact CD1-CE2 4.4Å; I195-Y286 HydrophobicContact CD1-CG 3.86Å; I195-Y286 HydrophobicContact CG1-CD2 3.68Å; I195-Y286 HydrophobicContact CG1-CE2 4.07Å; I195-Y286 HydrophobicContact CG1-CG 4.38Å; I195-I288 HydrophobicContact CD1-CD1 4.47Å
196	Y	67.6	Low	72.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.376	C	S	.	.	S	Bend	trans	-83.7	-37.1	178.6	-66.4	-75.7	0	0	0	111.3	R42 T43 Y46 L139 D176 N194 F273 Y286	R42-Y196 WeakPolarHBondContact CA-O 3.18Å; R42-Y196 WeakPolarHBondContact CD-O 3.4Å; T43-Y196 PolarHBondContact N-O 3.31Å; Y46-Y196 HydrophobicContact CD2-CD1 4.22Å; Y46-Y196 HydrophobicContact CD2-CE1 4.28Å; Y46-Y196 HydrophobicContact CE1-CD1 4.49Å; Y46-Y196 HydrophobicContact CE2-CD1 4.17Å; Y46-Y196 HydrophobicContact CE2-CE1 4.05Å; Y46-Y196 HydrophobicContact CG-CD1 4.37Å; L139-Y196 HydrophobicContact CB-CE1 4.27Å; D176-Y196 WeakPolarHBondContact OD2-CE2 3.29Å; D176-Y196 PolarHBondContact OD2-OH 2.85Å; N194-Y196 VanDerWaalsContact C-N 3.25Å; N194-Y196 PolarHBondContact O-N 2.93Å; N194-Y196 WeakPolarHBondContact OD1-CB 3.48Å; N194-Y196 PolarHBondContact OD1-N 3.27Å; Y196-F273 AromaticContact CD1-CZ 3.93Å; Y196-F273 HydrophobicContact CD1-CZ 3.93Å; Y196-F273 HydrophobicContact CE1-CE1 4.15Å; Y196-F273 HydrophobicContact CE1-CE2 4.43Å; Y196-F273 AromaticContact CE1-CZ 3.44Å; Y196-F273 HydrophobicContact CE1-CZ 3.44Å; Y196-F273 VanDerWaalsContact CE1-CZ 3.44Å; Y196-F273 AromaticContact CZ-CZ 3.71Å; Y196-Y286 HydrophobicContact CD2-CD1 4.45Å; Y196-Y286 HydrophobicContact CD2-CD2 4.49Å; Y196-Y286 HydrophobicContact CD2-CE1 4.1Å; Y196-Y286 HydrophobicContact CD2-CE2 4.21Å; Y196-Y286 AromaticContact CD2-CZ 3.99Å; Y196-Y286 AromaticContact CE2-CD1 3.59Å; Y196-Y286 HydrophobicContact CE2-CD1 3.59Å; Y196-Y286 HydrophobicContact CE2-CD2 4.04Å; Y196-Y286 AromaticContact CE2-CE1 3.63Å; Y196-Y286 HydrophobicContact CE2-CE1 3.63Å; Y196-Y286 HydrophobicContact CE2-CE2 4.14Å; Y196-Y286 AromaticContact CE2-CG 3.78Å; Y196-Y286 HydrophobicContact CE2-CG 3.78Å; Y196-Y286 AromaticContact CE2-CZ 3.94Å
197	Y	67.5	Low	72.7	Confident	21 Å²	21	69.3 Å²	69.3	8%	0.082	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-133	131.9	-167.2	-55.5	-72.2	0	0	0	112.4	I36 R42 V71 N194 S199	I36-Y197 HydrophobicContact CB-CD1 3.52Å; I36-Y197 HydrophobicContact CB-CD2 4.48Å; I36-Y197 HydrophobicContact CB-CE1 3.67Å; I36-Y197 HydrophobicContact CB-CG 3.94Å; I36-Y197 HydrophobicContact CG2-CD1 3.82Å; I36-Y197 HydrophobicContact CG2-CD2 4.13Å; I36-Y197 HydrophobicContact CG2-CE1 3.56Å; I36-Y197 HydrophobicContact CG2-CE2 3.92Å; I36-Y197 HydrophobicContact CG2-CG 4.08Å; I36-Y197 WeakPolarHBondContact O-CB 3.43Å; R42-Y197 PolarHBondContact NH2-OH 3.38Å; V71-Y197 HydrophobicContact CG2-CE1 4.21Å; N194-Y197 PolarHBondContact O-N 3.5Å; N194-Y197 PolarHBondContact OD1-N 3.46Å; Y197-S199 VanDerWaalsContact C-N 3.34Å; Y197-S199 PolarHBondContact O-N 2.94Å; Y197-S199 VanDerWaalsContact O-N 3.11Å
198	K	61.9	Low	72.8	Confident	116 Å²	116	69.5 Å²	69.5	50%	0.504	37%	0.365	S	S	.	.			trans	-85.1	78.7	170.5	-166.6	-174	173.1	-165.4	0	109.8
199	S	63.4	Low	73.1	Confident	29 Å²	29	63.5 Å²	63.5	20%	0.203	35%	0.347	C	S	.	.			trans	-83.6	116.6	170.4	-163.2	0	0	0	0	109.6	Y35 Y197 Q203	Y35-S199 VanDerWaalsContact O-CB 3.32Å; Y35-S199 WeakPolarHBondContact O-CB 3.49Å; Y35-S199 PolarHBondContact O-OG 2.77Å; Y35-S199 VanDerWaalsContact O-OG 3.09Å; Y197-S199 VanDerWaalsContact C-N 3.34Å; Y197-S199 PolarHBondContact O-N 2.94Å; Y197-S199 VanDerWaalsContact O-N 3.11Å; S199-Q203 VanDerWaalsContact CB-NE2 3.3Å; S199-Q203 PolarHBondContact OG-NE2 2.65Å
200	D	62.9	Low	73.7	Confident	133 Å²	133	66.7 Å²	66.7	71%	0.711	36%	0.363	S	S	*	.			trans	-85.2	0.2	170.2	-65.9	-34.5	0	0	0	111.7
201	L	64.9	Low	74.8	Confident	41 Å²	41	71.6 Å²	71.6	22%	0.215	38%	0.379	C	S	.	.	S	Bend	trans	-75.8	137.2	178.7	-59.7	-177.4	0	0	0	110.8	L34 Q203 I225 P228	L34-L201 HydrophobicContact CB-CD1 4.11Å; L34-L201 WeakPolarHBondContact O-CD1 3.42Å; L201-Q203 WeakPolarHBondContact O-CG 3.19Å; L201-Q203 PolarHBondContact O-N 3.42Å; L201-Q203 VanDerWaalsContact O-N 3.17Å; L201-I225 HydrophobicContact CB-CG2 4.34Å; L201-I225 HydrophobicContact CD1-CG2 3.62Å; L201-P228 HydrophobicContact CD2-CG 3.6Å
202	T	56.7	Low	76.1	Confident	109 Å²	109	66.3 Å²	66.3	67%	0.669	36%	0.359	S	S	*	.			trans	-65.8	116.2	168.9	-53.2	0	0	0	0	108.8
203	Q	68.5	Low	77.8	Confident	55 Å²	55	70.5 Å²	70.5	26%	0.257	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.1	178.2	-61.1	176	17.3	0	0	108.6	S199 L201 I225	S199-Q203 VanDerWaalsContact CB-NE2 3.3Å; S199-Q203 PolarHBondContact OG-NE2 2.65Å; L201-Q203 WeakPolarHBondContact O-CG 3.19Å; L201-Q203 PolarHBondContact O-N 3.42Å; L201-Q203 VanDerWaalsContact O-N 3.17Å; Q203-I225 HydrophobicContact CG-CG1 4.49Å
204	D	78.8	Confident	79.1	Confident	93 Å²	93	67 Å²	67	50%	0.497	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.5	160.8	-177.6	56.2	0	0	0	108.6	T224	D204-T224 PolarHBondContact N-O 3.08Å; D204-T224 VanDerWaalsContact N-O 3.09Å; D204-T224 PolarHBondContact O-N 2.83Å
205	I	83.4	Confident	80.2	Confident	46 Å²	46	72.8 Å²	72.8	24%	0.236	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	106.1	179.4	-57.1	176.8	0	0	0	107.8	A189 L221 D222 Y223	A189-I205 HydrophobicContact CB-CG2 4.31Å; I205-L221 HydrophobicContact CG2-CB 4.1Å; I205-L221 HydrophobicContact CG2-CD2 4.06Å; I205-L221 HydrophobicContact CG2-CG 4.45Å; I205-D222 WeakPolarHBondContact CA-O 3.37Å; I205-Y223 HydrophobicContact CD1-CD1 3.99Å; I205-Y223 HydrophobicContact CD1-CE1 3.76Å; I205-Y223 HydrophobicContact CG1-CD1 3.89Å; I205-Y223 HydrophobicContact CG1-CE1 4.11Å
206	T	89.3	Confident	81.2	Confident	70 Å²	70	73 Å²	73	43%	0.429	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.9	169.4	-64.1	0	0	0	0	108.9	D222	T206-D222 PolarHBondContact N-O 3.42Å; T206-D222 PolarHBondContact O-N 2.78Å
207	T	92.9	Very high	82.5	Confident	29 Å²	29	76 Å²	76	18%	0.178	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.1	-179.8	-56.3	0	0	0	0	109.7	I183 G187 A189 V209 I219 L221	I183-T207 HydrophobicContact CG2-CG2 3.75Å; G187-T207 WeakPolarHBondContact O-CB 3.37Å; A189-T207 PolarHBondContact N-OG1 2.83Å; A189-T207 VanDerWaalsContact N-OG1 3.12Å; T207-V209 HydrophobicContact CG2-CG2 4.32Å; T207-I219 HydrophobicContact CG2-CG2 4.19Å; T207-L221 HydrophobicContact CG2-CD2 3.87Å
208	S	94.4	Very high	83.8	Confident	38 Å²	38	76.4 Å²	76.4	27%	0.266	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.3	171.1	-61.3	0	0	0	0	109.5	I219 T220	S208-I219 WeakPolarHBondContact O-CA 3.5Å; S208-T220 PolarHBondContact N-O 2.84Å; S208-T220 PolarHBondContact O-N 3.43Å
209	V	95.7	Very high	85.4	Confident	43 Å²	43	70.9 Å²	70.9	26%	0.261	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.3	178	-170	0	0	0	0	109.4	L184 T207 W211 I219	L184-V209 HydrophobicContact CD2-CG1 3.74Å; T207-V209 HydrophobicContact CG2-CG2 4.32Å; V209-W211 HydrophobicContact CG1-CZ2 4.4Å; V209-I219 HydrophobicContact CG1-CG1 4.27Å; V209-I219 HydrophobicContact CG2-CG1 4.3Å
210	L	95.1	Very high	86.8	Confident	75 Å²	75	69.6 Å²	69.6	39%	0.393	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.9	173.8	178.3	63.7	0	0	0	110	V212 H217 M218	L210-V212 HydrophobicContact CG-CG2 4.35Å; L210-H217 PolarHBondContact O-N 3.44Å; L210-M218 HydrophobicContact CB-CB 4.2Å; L210-M218 HydrophobicContact CB-CE 4.42Å; L210-M218 HydrophobicContact CD2-CB 4.38Å; L210-M218 HydrophobicContact CD2-CE 3.99Å; L210-M218 PolarHBondContact N-O 2.9Å; L210-M218 PolarHBondContact O-N 3.32Å
211	W	95.1	Very high	88.1	Confident	123 Å²	123	63.3 Å²	63.3	47%	0.466	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.5	172.7	-62.9	82.6	0	0	0	109.9	L184 V209 K215 P216	L184-W211 HydrophobicContact CD2-CZ2 4.26Å; V209-W211 HydrophobicContact CG1-CZ2 4.4Å; W211-K215 CarbonylContact C-O 3.58Å; W211-K215 WeakPolarHBondContact CA-O 3.41Å; W211-P216 HydrophobicContact CD2-CB 4.48Å; W211-P216 HydrophobicContact CE3-CB 4.16Å; W211-P216 HydrophobicContact CH2-CB 4.24Å; W211-P216 HydrophobicContact CH2-CG 4.49Å; W211-P216 HydrophobicContact CZ3-CB 4.04Å; W211-P216 HydrophobicContact CZ3-CG 4.17Å
212	V	94.1	Very high	89.2	Confident	67 Å²	67	63 Å²	63	41%	0.406	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.8	174.1	180	0	0	0	0	107.3	L210 S214 K215 H217	L210-V212 HydrophobicContact CG-CG2 4.35Å; V212-S214 VanDerWaalsContact C-N 3.3Å; V212-S214 PolarHBondContact O-N 2.79Å; V212-K215 PolarHBondContact N-O 3.32Å; V212-K215 WeakPolarHBondContact O-CB 3.19Å; V212-K215 PolarHBondContact O-N 3.29Å; V212-H217 HydrophobicContact CB-CB 4.2Å; V212-H217 HydrophobicContact CG2-CB 3.72Å
213	N	94.2	Very high	90.4	Very high	152 Å²	152	58 Å²	58	81%	0.813	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	48.5	-177.8	-59.5	-26.7	0	0	0	113	K215	N213-K215 PolarHBondContact O-N 2.86Å; N213-K215 VanDerWaalsContact O-N 3.13Å
214	S	91.4	Very high	91.1	Very high	112 Å²	112	56.7 Å²	56.7	78%	0.783	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	13.8	-177.9	-51.8	0	0	0	0	115.4	V212	V212-S214 VanDerWaalsContact C-N 3.3Å; V212-S214 PolarHBondContact O-N 2.79Å
215	K	93.5	Very high	91	Very high	152 Å²	152	52.3 Å²	52.3	66%	0.661	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.9	171	-63.2	-177.2	179.9	-178.1	0	110	W211 V212 N213 H217	W211-K215 CarbonylContact C-O 3.58Å; W211-K215 WeakPolarHBondContact CA-O 3.41Å; V212-K215 PolarHBondContact N-O 3.32Å; V212-K215 WeakPolarHBondContact O-CB 3.19Å; V212-K215 PolarHBondContact O-N 3.29Å; N213-K215 PolarHBondContact O-N 2.86Å; N213-K215 VanDerWaalsContact O-N 3.13Å; K215-H217 PolarHBondContact O-N 3.2Å
216	P	94.6	Very high	90.6	Very high	29 Å²	29	54.5 Å²	54.5	19%	0.188	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.5	175.4	31	-33.3	0	0	0	108.3	L184 W211 P247	L184-P216 HydrophobicContact CD1-CB 3.99Å; L184-P216 HydrophobicContact CD1-CG 3.83Å; L184-P216 HydrophobicContact CD2-CB 3.5Å; L184-P216 VanDerWaalsContact CD2-CB 3.5Å; L184-P216 HydrophobicContact CD2-CG 4.27Å; L184-P216 HydrophobicContact CG-CB 4.4Å; W211-P216 HydrophobicContact CD2-CB 4.48Å; W211-P216 HydrophobicContact CE3-CB 4.16Å; W211-P216 HydrophobicContact CH2-CB 4.24Å; W211-P216 HydrophobicContact CH2-CG 4.49Å; W211-P216 HydrophobicContact CZ3-CB 4.04Å; W211-P216 HydrophobicContact CZ3-CG 4.17Å; P216-P247 HydrophobicContact CB-CG 3.86Å; P216-P247 HydrophobicContact CG-CG 4.34Å
217	H	93.3	Very high	89.7	Confident	62 Å²	62	51.6 Å²	51.6	29%	0.287	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-35.4	-172.4	-172.8	70.1	0	0	0	112.1	D148 L210 V212 K215	D148-H217 PolarHBondContact O-CE1 2.9Å; L210-H217 PolarHBondContact O-N 3.44Å; V212-H217 HydrophobicContact CB-CB 4.2Å; V212-H217 HydrophobicContact CG2-CB 3.72Å; K215-H217 PolarHBondContact O-N 3.2Å
218	M	95.7	Very high	88.5	Confident	30 Å²	30	52.8 Å²	52.8	15%	0.148	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	140.4	-177.6	-171.7	-179.7	63.9	0	0	110.7	T9 L210 T220 Y245	T9-M218 HydrophobicContact CG2-CE 3.54Å; T9-M218 HydrophobicContact CG2-SD 4.43Å; L210-M218 HydrophobicContact CB-CB 4.2Å; L210-M218 HydrophobicContact CB-CE 4.42Å; L210-M218 HydrophobicContact CD2-CB 4.38Å; L210-M218 HydrophobicContact CD2-CE 3.99Å; L210-M218 PolarHBondContact N-O 2.9Å; L210-M218 PolarHBondContact O-N 3.32Å; M218-T220 WeakPolarHBondContact CE-OG1 3.07Å; M218-Y245 CarbonylContact C-O 3.57Å; M218-Y245 WeakPolarHBondContact CA-O 3.25Å
219	I	95.1	Very high	87.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.1	165.5	-71.5	170.6	0	0	0	108	Y180 I183 L184 T207 S208 V209 L221 S244 Y245 P247	Y180-I219 HydrophobicContact CD1-CD1 3.39Å; Y180-I219 HydrophobicContact CE1-CB 4.41Å; Y180-I219 HydrophobicContact CE1-CD1 3.87Å; Y180-I219 HydrophobicContact CG-CD1 4.37Å; I183-I219 HydrophobicContact CB-CD1 4.13Å; I183-I219 HydrophobicContact CG2-CD1 3.68Å; I183-I219 HydrophobicContact CG2-CG2 4.4Å; L184-I219 HydrophobicContact CD2-CD1 4.01Å; L184-I219 HydrophobicContact CD2-CG1 4.48Å; L184-I219 HydrophobicContact CG-CD1 4.35Å; T207-I219 HydrophobicContact CG2-CG2 4.19Å; S208-I219 WeakPolarHBondContact O-CA 3.5Å; V209-I219 HydrophobicContact CG1-CG1 4.27Å; V209-I219 HydrophobicContact CG2-CG1 4.3Å; I219-L221 HydrophobicContact CG2-CD2 3.81Å; I219-L221 HydrophobicContact CG2-CG 4.19Å; I219-S244 CarbonylContact O-C 3.53Å; I219-S244 WeakPolarHBondContact O-CA 3.47Å; I219-Y245 PolarHBondContact N-O 3.25Å; I219-Y245 PolarHBondContact O-N 3.41Å; I219-P247 HydrophobicContact CD1-CB 3.6Å; I219-P247 HydrophobicContact CG1-CB 4.02Å
220	T	93.8	Very high	85.5	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.2	175.5	-61.6	0	0	0	0	108.8	S208 M218 R242 L243 S244	S208-T220 PolarHBondContact N-O 2.84Å; S208-T220 PolarHBondContact O-N 3.43Å; M218-T220 WeakPolarHBondContact CE-OG1 3.07Å; T220-R242 VanDerWaalsContact CG2-CD 3.4Å; T220-R242 HydrophobicContact CG2-CG 3.36Å; T220-L243 WeakPolarHBondContact CA-O 3.38Å; T220-S244 PolarHBondContact OG1-OG 3.09Å
221	L	89.9	Confident	83.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.8	176.8	-57.9	-175.9	0	0	0	108.9	A189 I205 T207 I219 Y223 R242 L243 Y245	A189-L221 HydrophobicContact CB-CD2 4.39Å; I205-L221 HydrophobicContact CG2-CB 4.1Å; I205-L221 HydrophobicContact CG2-CD2 4.06Å; I205-L221 HydrophobicContact CG2-CG 4.45Å; T207-L221 HydrophobicContact CG2-CD2 3.87Å; I219-L221 HydrophobicContact CG2-CD2 3.81Å; I219-L221 HydrophobicContact CG2-CG 4.19Å; L221-Y223 HydrophobicContact CB-CD2 4.26Å; L221-Y223 HydrophobicContact CB-CE2 3.53Å; L221-Y223 VanDerWaalsContact CD1-OH 3.25Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.28Å; L221-Y223 WeakPolarHBondContact O-CD2 3.46Å; L221-R242 WeakPolarHBondContact O-CA 3.25Å; L221-L243 PolarHBondContact N-O 2.99Å; L221-L243 PolarHBondContact O-N 3.1Å; L221-Y245 HydrophobicContact CB-CE2 4.15Å; L221-Y245 HydrophobicContact CD1-CD2 4.23Å; L221-Y245 HydrophobicContact CD1-CE2 3.77Å; L221-Y245 HydrophobicContact CG-CD2 4.18Å; L221-Y245 HydrophobicContact CG-CE2 3.91Å
222	D	87	Confident	82.1	Confident	36 Å²	36	56.6 Å²	56.6	19%	0.193	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	108.8	171.6	-71.5	-68.7	0	0	0	108.7	I205 T206 R242	I205-D222 WeakPolarHBondContact CA-O 3.37Å; T206-D222 PolarHBondContact N-O 3.42Å; T206-D222 PolarHBondContact O-N 2.78Å; D222-R242 VanDerWaalsContact CG-NH2 3.32Å; D222-R242 IonicContact OD1-CZ 3.41Å; D222-R242 IonicContact OD1-NE 3.47Å; D222-R242 PolarHBondContact OD1-NE 3.18Å; D222-R242 IonicContact OD1-NH2 2.76Å; D222-R242 PolarHBondContact OD1-NH2 3.08Å; D222-R242 VanDerWaalsContact OD1-NH2 3.11Å; D222-R242 IonicContact OD2-CZ 2.98Å; D222-R242 IonicContact OD2-NE 3.51Å; D222-R242 IonicContact OD2-NH2 3.49Å; D222-R242 PolarHBondContact OD2-NH2 3.34Å
223	Y	82.9	Confident	80.4	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.016	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.8	178.9	-61.9	-92.4	0	0	0	109.2	Y35 I205 L221 K240 F241 L243 Y245	Y35-Y223 HydrophobicContact CD2-CD1 4.4Å; Y35-Y223 AromaticContact CE2-CD1 3.68Å; Y35-Y223 HydrophobicContact CE2-CD1 3.68Å; Y35-Y223 AromaticContact CE2-CE1 3.81Å; Y35-Y223 HydrophobicContact CE2-CE1 3.81Å; Y35-Y223 AromaticContact CZ-CE1 3.92Å; I205-Y223 HydrophobicContact CD1-CD1 3.99Å; I205-Y223 HydrophobicContact CD1-CE1 3.76Å; I205-Y223 HydrophobicContact CG1-CD1 3.89Å; I205-Y223 HydrophobicContact CG1-CE1 4.11Å; L221-Y223 HydrophobicContact CB-CD2 4.26Å; L221-Y223 HydrophobicContact CB-CE2 3.53Å; L221-Y223 VanDerWaalsContact CD1-OH 3.25Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.28Å; L221-Y223 WeakPolarHBondContact O-CD2 3.46Å; Y223-K240 VanDerWaalsContact O-CA 3.28Å; Y223-K240 WeakPolarHBondContact O-CA 3.39Å; Y223-F241 HydrophobicContact CD1-CZ 4.36Å; Y223-F241 AromaticContact CD2-CD2 3.82Å; Y223-F241 HydrophobicContact CD2-CD2 3.82Å; Y223-F241 AromaticContact CD2-CE2 3.32Å; Y223-F241 HydrophobicContact CD2-CE2 3.32Å; Y223-F241 AromaticContact CD2-CZ 3.89Å; Y223-F241 HydrophobicContact CD2-CZ 3.89Å; Y223-F241 AromaticContact CE2-CE2 3.94Å; Y223-F241 HydrophobicContact CE2-CE2 3.94Å; Y223-F241 HydrophobicContact CG-CD2 4.34Å; Y223-F241 HydrophobicContact CG-CE1 4.42Å; Y223-F241 AromaticContact CG-CE2 3.67Å; Y223-F241 HydrophobicContact CG-CE2 3.67Å; Y223-F241 AromaticContact CG-CZ 3.72Å; Y223-F241 HydrophobicContact CG-CZ 3.72Å; Y223-F241 PolarHBondContact N-O 2.85Å; Y223-F241 PolarHBondContact O-N 3.23Å; Y223-F241 VanDerWaalsContact O-N 3.16Å; Y223-L243 HydrophobicContact CE2-CB 4.18Å; Y223-L243 HydrophobicContact CE2-CD1 4.08Å; Y223-L243 HydrophobicContact CE2-CG 4.3Å; Y223-Y245 PolarHBondContact OH-OH 3.11Å
224	T	82.1	Confident	78.8	Confident	27 Å²	27	64.1 Å²	64.1	17%	0.166	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.8	170.9	-59.6	0	0	0	0	108.6	D204 V238 K240	D204-T224 PolarHBondContact N-O 3.08Å; D204-T224 VanDerWaalsContact N-O 3.09Å; D204-T224 PolarHBondContact O-N 2.83Å; T224-V238 HydrophobicContact CG2-CG1 3.41Å; T224-V238 VanDerWaalsContact CG2-CG1 3.41Å; T224-K240 HydrophobicContact CG2-CG 4.18Å; T224-K240 WeakPolarHBondContact OG1-CE 3.39Å
225	I	77.8	Confident	77.5	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126	-176.1	-57.3	177.5	0	0	0	109.2	V31 Y35 L201 Q203 V227 V238 S239 F241	V31-I225 HydrophobicContact CG1-CD1 3.77Å; Y35-I225 HydrophobicContact CD2-CD1 3.7Å; Y35-I225 HydrophobicContact CG-CD1 4.2Å; L201-I225 HydrophobicContact CB-CG2 4.34Å; L201-I225 HydrophobicContact CD1-CG2 3.62Å; Q203-I225 HydrophobicContact CG-CG1 4.49Å; I225-V227 PolarHBondContact O-N 2.84Å; I225-V238 WeakPolarHBondContact O-CA 3.49Å; I225-S239 PolarHBondContact N-O 3.3Å; I225-S239 PolarHBondContact O-N 2.81Å; I225-F241 HydrophobicContact CD1-CE1 3.59Å; I225-F241 HydrophobicContact CD1-CZ 4.3Å; I225-F241 HydrophobicContact CG1-CE1 4.5Å
226	Q	74.1	Confident	76	Confident	91 Å²	91	57.5 Å²	57.5	43%	0.425	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	116.8	168.3	-69.1	-74.5	-12.4	0	0	108.9
227	V	70.7	Confident	74.8	Confident	9 Å²	9	62.5 Å²	62.5	6%	0.055	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-83.8	127	-177.5	178.7	0	0	0	0	109.3	L34 I225 A231 L232 L235 P236 E237	L34-V227 HydrophobicContact CD1-CG1 4.15Å; L34-V227 HydrophobicContact CD1-CG2 4.31Å; I225-V227 PolarHBondContact O-N 2.84Å; V227-A231 HydrophobicContact CG1-CB 3.7Å; V227-L232 HydrophobicContact CB-CD2 4.15Å; V227-L232 HydrophobicContact CG1-CD2 4.13Å; V227-L235 HydrophobicContact CG1-CB 4.13Å; V227-P236 WeakPolarHBondContact CB-O 3.28Å; V227-P236 VanDerWaalsContact CG2-O 3.22Å; V227-P236 WeakPolarHBondContact CG2-O 3.34Å; V227-E237 PolarHBondContact N-O 3.16Å
228	P	68.8	Low	73.8	Confident	54 Å²	54	62.1 Å²	62.1	35%	0.351	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.9	146.6	178.9	-25.7	34.4	0	0	0	112.9	L201 A230 A231 L232	L201-P228 HydrophobicContact CD2-CG 3.6Å; P228-A230 PolarHBondContact O-N 3.4Å; P228-A231 PolarHBondContact O-N 3.36Å; P228-L232 PolarHBondContact O-N 3.02Å
229	Q	65.3	Low	72.8	Confident	174 Å²	174	61.3 Å²	61.3	81%	0.813	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-51	-36.8	-178	-110.4	179.5	1.6	0	0	113.9	A231 L232	Q229-A231 VanDerWaalsContact C-N 3.26Å; Q229-A231 PolarHBondContact O-N 2.79Å; Q229-L232 HydrophobicContact CB-CD1 4.27Å; Q229-L232 HydrophobicContact CG-CD1 3.69Å; Q229-L232 WeakPolarHBondContact O-CB 3.4Å; Q229-L232 PolarHBondContact O-N 3.31Å
230	A	60.7	Low	72	Confident	96 Å²	96	68.1 Å²	68.1	79%	0.793	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-65.9	-23.9	178.4	0	0	0	0	0	114.2	P228	P228-A230 PolarHBondContact O-N 3.4Å
231	A	60.4	Low	71.4	Confident	28 Å²	28	68.6 Å²	68.6	23%	0.231	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-95.9	-7.6	179	0	0	0	0	0	113.3	V227 P228 Q229 Q233 K234 L235	V227-A231 HydrophobicContact CG1-CB 3.7Å; P228-A231 PolarHBondContact O-N 3.36Å; Q229-A231 VanDerWaalsContact C-N 3.26Å; Q229-A231 PolarHBondContact O-N 2.79Å; A231-Q233 PolarHBondContact O-N 2.8Å; A231-Q233 VanDerWaalsContact O-N 3.1Å; A231-K234 PolarHBondContact O-N 3.48Å; A231-K234 VanDerWaalsContact O-N 3.16Å; A231-L235 PolarHBondContact O-N 3Å
232	L	58.5	Low	71.2	Confident	61 Å²	61	71.1 Å²	71.1	32%	0.319	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.7	-177.8	-64.2	179.4	0	0	0	114.3	V227 P228 Q229 K234 L235 E237	V227-L232 HydrophobicContact CB-CD2 4.15Å; V227-L232 HydrophobicContact CG1-CD2 4.13Å; P228-L232 PolarHBondContact O-N 3.02Å; Q229-L232 HydrophobicContact CB-CD1 4.27Å; Q229-L232 HydrophobicContact CG-CD1 3.69Å; Q229-L232 WeakPolarHBondContact O-CB 3.4Å; Q229-L232 PolarHBondContact O-N 3.31Å; L232-K234 PolarHBondContact O-N 3.03Å; L232-K234 VanDerWaalsContact O-N 3.17Å; L232-L235 WeakPolarHBondContact CA-O 3.4Å; L232-E237 VanDerWaalsContact CD2-CA 3.43Å; L232-E237 HydrophobicContact CD2-CB 4.1Å
233	Q	59.6	Low	71.3	Confident	185 Å²	185	69.4 Å²	69.4	86%	0.864	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.1	175.4	-68.1	-173	-2.9	0	0	113.1	A231	A231-Q233 PolarHBondContact O-N 2.8Å; A231-Q233 VanDerWaalsContact O-N 3.1Å
234	K	60.3	Low	71.7	Confident	193 Å²	193	69.7 Å²	69.7	84%	0.839	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	-10	-175.8	-65.2	-179.7	-177.9	174.1	0	114.3	A231 L232	A231-K234 PolarHBondContact O-N 3.48Å; A231-K234 VanDerWaalsContact O-N 3.16Å; L232-K234 PolarHBondContact O-N 3.03Å; L232-K234 VanDerWaalsContact O-N 3.17Å
235	L	63	Low	72.3	Confident	44 Å²	44	68.9 Å²	68.9	23%	0.23	36%	0.356	C	S	.	.	S	Bend	trans	-140.6	150.2	-173	-71.6	172	0	0	0	110.9	L34 V227 A231 L232	L34-L235 HydrophobicContact CD1-CD1 3.47Å; L34-L235 VanDerWaalsContact CD1-CD1 3.47Å; V227-L235 HydrophobicContact CG1-CB 4.13Å; A231-L235 PolarHBondContact O-N 3Å; L232-L235 WeakPolarHBondContact CA-O 3.4Å
236	P	62.8	Low	73.3	Confident	81 Å²	81	70.3 Å²	70.3	53%	0.526	36%	0.362	S	S	.	.			trans	-64.5	156.4	173.3	29.3	-35	0	0	0	111.3	V227 V238	V227-P236 WeakPolarHBondContact CB-O 3.28Å; V227-P236 VanDerWaalsContact CG2-O 3.22Å; V227-P236 WeakPolarHBondContact CG2-O 3.34Å; P236-V238 PolarHBondContact O-N 3.02Å
237	E	68.3	Low	74.4	Confident	134 Å²	134	66.2 Å²	66.2	63%	0.626	34%	0.343	S	S	*	.	S	Bend	trans	-53.8	-36.6	178.4	-173	178.6	-173.5	0	0	113.4	V227 L232	V227-E237 PolarHBondContact N-O 3.16Å; L232-E237 VanDerWaalsContact CD2-CA 3.43Å; L232-E237 HydrophobicContact CD2-CB 4.1Å
238	V	72.3	Confident	75.7	Confident	54 Å²	54	65.9 Å²	65.9	33%	0.327	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.2	172.8	179.7	0	0	0	0	108.5	T224 I225 P236 K240	T224-V238 HydrophobicContact CG2-CG1 3.41Å; T224-V238 VanDerWaalsContact CG2-CG1 3.41Å; I225-V238 WeakPolarHBondContact O-CA 3.49Å; P236-V238 PolarHBondContact O-N 3.02Å; V238-K240 HydrophobicContact CG1-CG 4.23Å
239	S	74.8	Confident	77	Confident	13 Å²	13	68.2 Å²	68.2	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.4	171.2	-166.2	0	0	0	0	110	V31 I225	V31-S239 WeakPolarHBondContact CG2-OG 3.41Å; I225-S239 PolarHBondContact N-O 3.3Å; I225-S239 PolarHBondContact O-N 2.81Å
240	K	79.7	Confident	78.6	Confident	143 Å²	143	61.5 Å²	61.5	62%	0.622	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.5	177.2	-64.7	-172.5	178.4	-173.5	0	110.6	Y223 T224 V238	Y223-K240 VanDerWaalsContact O-CA 3.28Å; Y223-K240 WeakPolarHBondContact O-CA 3.39Å; T224-K240 HydrophobicContact CG2-CG 4.18Å; T224-K240 WeakPolarHBondContact OG1-CE 3.39Å; V238-K240 HydrophobicContact CG1-CG 4.23Å
241	F	81.1	Confident	80.3	Confident	12 Å²	12	63.3 Å²	63.3	5%	0.053	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.5	168.5	66.6	-93.4	0	0	0	110.6	A28 V31 Y35 Y223 I225 L243	A28-F241 HydrophobicContact CB-CD2 4.23Å; A28-F241 HydrophobicContact CB-CG 4.44Å; V31-F241 HydrophobicContact CB-CD1 4.36Å; V31-F241 HydrophobicContact CB-CE1 4.4Å; V31-F241 HydrophobicContact CG1-CD1 4.2Å; V31-F241 HydrophobicContact CG1-CE1 4.02Å; Y35-F241 HydrophobicContact CD2-CZ 4.32Å; Y35-F241 HydrophobicContact CG-CZ 4.34Å; Y223-F241 HydrophobicContact CD1-CZ 4.36Å; Y223-F241 AromaticContact CD2-CD2 3.82Å; Y223-F241 HydrophobicContact CD2-CD2 3.82Å; Y223-F241 AromaticContact CD2-CE2 3.32Å; Y223-F241 HydrophobicContact CD2-CE2 3.32Å; Y223-F241 AromaticContact CD2-CZ 3.89Å; Y223-F241 HydrophobicContact CD2-CZ 3.89Å; Y223-F241 AromaticContact CE2-CE2 3.94Å; Y223-F241 HydrophobicContact CE2-CE2 3.94Å; Y223-F241 HydrophobicContact CG-CD2 4.34Å; Y223-F241 HydrophobicContact CG-CE1 4.42Å; Y223-F241 AromaticContact CG-CE2 3.67Å; Y223-F241 HydrophobicContact CG-CE2 3.67Å; Y223-F241 AromaticContact CG-CZ 3.72Å; Y223-F241 HydrophobicContact CG-CZ 3.72Å; Y223-F241 PolarHBondContact N-O 2.85Å; Y223-F241 PolarHBondContact O-N 3.23Å; Y223-F241 VanDerWaalsContact O-N 3.16Å; I225-F241 HydrophobicContact CD1-CE1 3.59Å; I225-F241 HydrophobicContact CD1-CZ 4.3Å; I225-F241 HydrophobicContact CG1-CE1 4.5Å; F241-L243 HydrophobicContact CD2-CD1 4.2Å; F241-L243 HydrophobicContact CD2-CG 3.99Å; F241-L243 HydrophobicContact CE2-CD1 3.74Å; F241-L243 HydrophobicContact CE2-CG 4.04Å
242	R	85.3	Confident	82.1	Confident	53 Å²	53	64 Å²	64	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131	-174.9	174.2	173.5	-76.6	-158.8	-10.9	108.8	F7 R8 T220 L221 D222	F7-R242 VanDerWaalsContact CZ-NH1 3.34Å; R8-R242 PolarHBondContact O-NH1 3.27Å; T220-R242 VanDerWaalsContact CG2-CD 3.4Å; T220-R242 HydrophobicContact CG2-CG 3.36Å; L221-R242 WeakPolarHBondContact O-CA 3.25Å; D222-R242 VanDerWaalsContact CG-NH2 3.32Å; D222-R242 IonicContact OD1-CZ 3.41Å; D222-R242 IonicContact OD1-NE 3.47Å; D222-R242 PolarHBondContact OD1-NE 3.18Å; D222-R242 IonicContact OD1-NH2 2.76Å; D222-R242 PolarHBondContact OD1-NH2 3.08Å; D222-R242 VanDerWaalsContact OD1-NH2 3.11Å; D222-R242 IonicContact OD2-CZ 2.98Å; D222-R242 IonicContact OD2-NE 3.51Å; D222-R242 IonicContact OD2-NH2 3.49Å; D222-R242 PolarHBondContact OD2-NH2 3.34Å
243	L	88	Confident	84	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.7	170.6	-62.7	173.7	0	0	0	109.4	Q22 Y23 W32 T220 L221 Y223 F241 Y245	Q22-L243 HydrophobicContact CB-CD2 4.31Å; Y23-L243 HydrophobicContact CE1-CD2 4.16Å; W32-L243 HydrophobicContact CZ3-CD1 4.35Å; T220-L243 WeakPolarHBondContact CA-O 3.38Å; L221-L243 PolarHBondContact N-O 2.99Å; L221-L243 PolarHBondContact O-N 3.1Å; Y223-L243 HydrophobicContact CE2-CB 4.18Å; Y223-L243 HydrophobicContact CE2-CD1 4.08Å; Y223-L243 HydrophobicContact CE2-CG 4.3Å; F241-L243 HydrophobicContact CD2-CD1 4.2Å; F241-L243 HydrophobicContact CD2-CG 3.99Å; F241-L243 HydrophobicContact CE2-CD1 3.74Å; F241-L243 HydrophobicContact CE2-CG 4.04Å; L243-Y245 HydrophobicContact CB-CE2 3.65Å; L243-Y245 VanDerWaalsContact CB-OH 3.29Å; L243-Y245 WeakPolarHBondContact CB-OH 3.33Å; L243-Y245 WeakPolarHBondContact CD1-OH 3.44Å
244	S	92.3	Very high	85.8	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.9	-179.6	-73.8	0	0	0	0	110.6	T9 Q22 I219 T220	T9-S244 PolarHBondContact O-OG 3.13Å; Q22-S244 PolarHBondContact NE2-O 3.28Å; Q22-S244 PolarHBondContact OE1-O 3.2Å; I219-S244 CarbonylContact O-C 3.53Å; I219-S244 WeakPolarHBondContact O-CA 3.47Å; T220-S244 PolarHBondContact OG1-OG 3.09Å
245	Y	95.3	Very high	87.6	Confident	11 Å²	11	47.4 Å²	47.4	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.8	-170.2	-54	-86.4	0	0	0	111.4	N141 A144 H145 Y180 M218 I219 L221 Y223 L243	N141-Y245 WeakPolarHBondContact ND2-CD1 3.19Å; N141-Y245 WeakPolarHBondContact ND2-CE1 3.33Å; A144-Y245 HydrophobicContact CB-CD1 4.02Å; A144-Y245 CarbonylContact O-C 3.51Å; A144-Y245 WeakPolarHBondContact O-CA 3.4Å; H145-Y245 AromaticContact CD2-CE1 3.88Å; H145-Y245 AromaticContact CE1-CE1 3.33Å; H145-Y245 WeakPolarHBondContact CE1-CE1 3.25Å; H145-Y245 AromaticContact CE1-CZ 3.83Å; H145-Y245 AromaticContact ND1-CE1 3.94Å; H145-Y245 AromaticContact NE2-CE1 3.25Å; H145-Y245 WeakPolarHBondContact NE2-CE1 3.15Å; H145-Y245 AromaticContact NE2-CZ 3.98Å; Y180-Y245 WeakPolarHBondContact OH-CB 3.34Å; Y180-Y245 WeakPolarHBondContact OH-CD1 3.46Å; Y180-Y245 VanDerWaalsContact OH-CG 3.28Å; M218-Y245 CarbonylContact C-O 3.57Å; M218-Y245 WeakPolarHBondContact CA-O 3.25Å; I219-Y245 PolarHBondContact N-O 3.25Å; I219-Y245 PolarHBondContact O-N 3.41Å; L221-Y245 HydrophobicContact CB-CE2 4.15Å; L221-Y245 HydrophobicContact CD1-CD2 4.23Å; L221-Y245 HydrophobicContact CD1-CE2 3.77Å; L221-Y245 HydrophobicContact CG-CD2 4.18Å; L221-Y245 HydrophobicContact CG-CE2 3.91Å; Y223-Y245 PolarHBondContact OH-OH 3.11Å; L243-Y245 HydrophobicContact CB-CE2 3.65Å; L243-Y245 VanDerWaalsContact CB-OH 3.29Å; L243-Y245 WeakPolarHBondContact CB-OH 3.33Å; L243-Y245 WeakPolarHBondContact CD1-OH 3.44Å
246	Y	97.3	Very high	89.3	Confident	31 Å²	31	45.5 Å²	45.5	12%	0.122	23%	0.226	C	C	.	.			trans	-76.8	128.7	164.6	-172	-88.3	0	0	0	110.1	A144 D148 Q153 H248	A144-Y246 PolarHBondContact O-N 2.94Å; D148-Y246 HydrophobicContact CB-CD2 3.65Å; D148-Y246 HydrophobicContact CB-CE2 3.4Å; D148-Y246 VanDerWaalsContact CB-CE2 3.4Å; Q153-Y246 VanDerWaalsContact CD-OH 3.3Å; Q153-Y246 VanDerWaalsContact NE2-CE1 3.28Å; Q153-Y246 PolarHBondContact NE2-OH 3.17Å; Q153-Y246 VanDerWaalsContact NE2-OH 3.09Å; Y246-H248 VanDerWaalsContact C-N 3.34Å; Y246-H248 AromaticContact CD1-CD2 3.8Å; Y246-H248 AromaticContact CD1-CE1 3.33Å; Y246-H248 WeakPolarHBondContact CD1-CE1 3.49Å; Y246-H248 AromaticContact CD1-CG 3.76Å; Y246-H248 AromaticContact CD1-ND1 3.47Å; Y246-H248 WeakPolarHBondContact CD1-ND1 3.4Å; Y246-H248 AromaticContact CD1-NE2 3.53Å; Y246-H248 AromaticContact CE1-CE1 3.82Å; Y246-H248 AromaticContact CE1-ND1 3.72Å; Y246-H248 PolarHBondContact O-N 2.95Å
247	P	97.3	Very high	91	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.032	20%	0.201	C	C	.	.			trans	-82.5	71.6	-172.4	34.3	-36.7	0	0	0	112.5	Y180 L184 P216 I219 R249	Y180-P247 HydrophobicContact CD1-CB 4.3Å; Y180-P247 HydrophobicContact CG-CB 4.27Å; L184-P247 HydrophobicContact CD1-CB 4.18Å; L184-P247 HydrophobicContact CD2-CB 4.21Å; L184-P247 HydrophobicContact CG-CB 4.38Å; P216-P247 HydrophobicContact CB-CG 3.86Å; P216-P247 HydrophobicContact CG-CG 4.34Å; I219-P247 HydrophobicContact CD1-CB 3.6Å; I219-P247 HydrophobicContact CG1-CB 4.02Å; P247-R249 PolarHBondContact O-N 3.11Å; P247-R249 VanDerWaalsContact O-N 3.11Å
248	H	97.9	Very high	92.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.185	C	C	.	.			trans	-61.1	110.6	178.4	-69	-70.4	0	0	0	112.1	F143 H177 Y180 Y246 F253	F143-H248 AromaticContact CD1-NE2 3.62Å; F143-H248 AromaticContact CE1-CE1 3.79Å; F143-H248 AromaticContact CE1-NE2 3.62Å; H177-H248 PolarHBondContact CE1-O 3.42Å; H177-H248 VanDerWaalsContact CE1-O 3.31Å; H177-H248 PolarHBondContact ND1-O 2.95Å; Y180-H248 WeakPolarHBondContact CB-O 3.39Å; Y180-H248 HydrophobicContact CD2-CB 4.33Å; Y180-H248 WeakPolarHBondContact CD2-O 3.36Å; Y246-H248 VanDerWaalsContact C-N 3.34Å; Y246-H248 AromaticContact CD1-CD2 3.8Å; Y246-H248 AromaticContact CD1-CE1 3.33Å; Y246-H248 WeakPolarHBondContact CD1-CE1 3.49Å; Y246-H248 AromaticContact CD1-CG 3.76Å; Y246-H248 AromaticContact CD1-ND1 3.47Å; Y246-H248 WeakPolarHBondContact CD1-ND1 3.4Å; Y246-H248 AromaticContact CD1-NE2 3.53Å; Y246-H248 AromaticContact CE1-CE1 3.82Å; Y246-H248 AromaticContact CE1-ND1 3.72Å; Y246-H248 PolarHBondContact O-N 2.95Å; H248-F253 HydrophobicContact CB-CB 4.24Å; H248-F253 HydrophobicContact CB-CD2 3.92Å; H248-F253 HydrophobicContact CB-CG 4.31Å; H248-F253 AromaticContact CG-CD2 3.69Å; H248-F253 AromaticContact ND1-CD2 3.62Å
249	R	97.6	Very high	93.6	Very high	103 Å²	103	38.9 Å²	38.9	39%	0.389	19%	0.192	S	C	.	.			trans	-72.4	145.2	169.2	-67.3	-174.4	173.4	-92.3	5.5	110.4	D181 L184 P247 Q251 S252 F253	D181-R249 WeakPolarHBondContact OD1-CB 3.44Å; D181-R249 VanDerWaalsContact OD1-CG 3.29Å; D181-R249 WeakPolarHBondContact OD1-CG 3.47Å; D181-R249 IonicContact OD1-CZ 3.35Å; D181-R249 IonicContact OD1-NH1 2.77Å; D181-R249 PolarHBondContact OD1-NH1 3.06Å; D181-R249 WeakPolarHBondContact OD2-CA 3.4Å; L184-R249 HydrophobicContact CD1-CG 4.23Å; P247-R249 PolarHBondContact O-N 3.11Å; P247-R249 VanDerWaalsContact O-N 3.11Å; R249-Q251 PolarHBondContact O-N 2.95Å; R249-S252 PolarHBondContact O-N 3.11Å; R249-F253 WeakPolarHBondContact O-CB 3.35Å; R249-F253 PolarHBondContact O-N 2.66Å
250	L	97.8	Very high	94.7	Very high	34 Å²	34	38.8 Å²	38.8	18%	0.178	19%	0.193	C	C	.	.	H	α-helix	trans	-51.2	-51.7	-175.2	172.9	60.6	0	0	0	112.9	D181 F253 G254 V269 F276 F287	D181-L250 PolarHBondContact OD2-N 2.67Å; L250-F253 PolarHBondContact O-N 3.33Å; L250-G254 PolarHBondContact O-N 3.34Å; L250-V269 HydrophobicContact CD1-CG1 3.88Å; L250-V269 HydrophobicContact CD1-CG2 4.36Å; L250-F276 HydrophobicContact CD2-CD1 4.42Å; L250-F276 HydrophobicContact CD2-CE1 3.55Å; L250-F276 HydrophobicContact CD2-CZ 3.94Å; L250-F287 HydrophobicContact CB-CD2 4.13Å; L250-F287 HydrophobicContact CB-CE2 3.97Å; L250-F287 HydrophobicContact CB-CZ 4.44Å; L250-F287 HydrophobicContact CD1-CB 4.09Å; L250-F287 HydrophobicContact CD1-CD1 4.01Å; L250-F287 HydrophobicContact CD1-CD2 4.05Å; L250-F287 HydrophobicContact CD1-CE1 4.46Å; L250-F287 HydrophobicContact CD1-CE2 4.48Å; L250-F287 HydrophobicContact CD1-CG 3.79Å; L250-F287 HydrophobicContact CD2-CD1 4.21Å; L250-F287 HydrophobicContact CD2-CE1 3.85Å; L250-F287 HydrophobicContact CD2-CE2 4.2Å; L250-F287 HydrophobicContact CD2-CZ 3.84Å; L250-F287 HydrophobicContact CG-CD2 4.46Å; L250-F287 HydrophobicContact CG-CE2 4.44Å
251	Q	97.5	Very high	95.5	Very high	134 Å²	134	32.1 Å²	32.1	63%	0.626	16%	0.164	S	C	*	.	H	α-helix	trans	-64	-50	-178.2	-175.6	60.4	49.9	0	0	111.4	R249 F253 G254 D255	R249-Q251 PolarHBondContact O-N 2.95Å; Q251-F253 VanDerWaalsContact C-N 3.27Å; Q251-F253 PolarHBondContact O-N 3.31Å; Q251-G254 WeakPolarHBondContact O-CA 3.32Å; Q251-G254 PolarHBondContact O-N 3.3Å; Q251-G254 VanDerWaalsContact O-N 3.1Å; Q251-D255 PolarHBondContact NE2-OD1 2.85Å; Q251-D255 VanDerWaalsContact O-CG 3.29Å; Q251-D255 PolarHBondContact O-N 3.04Å
252	S	97.3	Very high	96.2	Very high	43 Å²	43	35.9 Å²	35.9	30%	0.301	19%	0.191	S	C	.	.	H	α-helix	trans	-61.8	-36.2	-178.8	173.7	0	0	0	0	112.2	R249 D255 L256	R249-S252 PolarHBondContact O-N 3.11Å; S252-D255 PolarHBondContact O-N 2.86Å; S252-L256 WeakPolarHBondContact O-CG 3.44Å; S252-L256 PolarHBondContact O-N 2.91Å
253	F	98.6	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69	-39.3	175.2	-164.4	-109.1	0	0	0	112.2	F143 L160 I175 H177 H248 R249 L250 Q251 D255 L256 L257 H289	F143-F253 AromaticContact CD1-CE2 3.47Å; F143-F253 HydrophobicContact CD1-CE2 3.47Å; F143-F253 VanDerWaalsContact CD1-CE2 3.47Å; F143-F253 AromaticContact CD1-CZ 3.99Å; F143-F253 HydrophobicContact CD1-CZ 3.99Å; F143-F253 AromaticContact CE1-CE2 3.74Å; F143-F253 HydrophobicContact CE1-CE2 3.74Å; F143-F253 HydrophobicContact CG-CE2 4.35Å; F143-F253 HydrophobicContact CG-CZ 4.45Å; L160-F253 HydrophobicContact CD1-CE2 4.43Å; I175-F253 HydrophobicContact CD1-CZ 3.86Å; I175-F253 HydrophobicContact CG1-CE1 4.3Å; I175-F253 HydrophobicContact CG1-CZ 4Å; I175-F253 HydrophobicContact CG2-CE1 4.23Å; H177-F253 AromaticContact CD2-CD1 3.25Å; H177-F253 WeakPolarHBondContact CD2-CD1 3.42Å; H177-F253 AromaticContact CD2-CE1 3.67Å; H177-F253 AromaticContact CD2-CG 3.66Å; H177-F253 AromaticContact NE2-CD1 3.58Å; H177-F253 AromaticContact NE2-CG 3.8Å; H248-F253 HydrophobicContact CB-CB 4.24Å; H248-F253 HydrophobicContact CB-CD2 3.92Å; H248-F253 HydrophobicContact CB-CG 4.31Å; H248-F253 AromaticContact CG-CD2 3.69Å; H248-F253 AromaticContact ND1-CD2 3.62Å; R249-F253 WeakPolarHBondContact O-CB 3.35Å; R249-F253 PolarHBondContact O-N 2.66Å; L250-F253 PolarHBondContact O-N 3.33Å; Q251-F253 VanDerWaalsContact C-N 3.27Å; Q251-F253 PolarHBondContact O-N 3.31Å; F253-D255 VanDerWaalsContact C-N 3.33Å; F253-D255 PolarHBondContact O-N 2.85Å; F253-L256 PolarHBondContact O-N 3.05Å; F253-L257 HydrophobicContact CD1-CD1 3.73Å; F253-L257 HydrophobicContact CD1-CG 4.33Å; F253-L257 HydrophobicContact CE1-CD1 3.65Å; F253-L257 HydrophobicContact CE1-CD2 4.46Å; F253-L257 HydrophobicContact CE1-CG 4.16Å; F253-L257 HydrophobicContact CZ-CD1 4.49Å; F253-L257 WeakPolarHBondContact O-CG 3.41Å; F253-L257 PolarHBondContact O-N 2.84Å; F253-H289 AromaticContact CD1-CD2 3.89Å; F253-H289 AromaticContact CD1-CE1 3.7Å; F253-H289 AromaticContact CD1-ND1 3.97Å; F253-H289 AromaticContact CD1-NE2 3.66Å
254	G	98.2	Very high	96.5	Very high	9 Å²	9	40.4 Å²	40.4	9%	0.093	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-44.2	170.8	0	0	0	0	0	112.7	L250 Q251 L257 S258	L250-G254 PolarHBondContact O-N 3.34Å; Q251-G254 WeakPolarHBondContact O-CA 3.32Å; Q251-G254 PolarHBondContact O-N 3.3Å; Q251-G254 VanDerWaalsContact O-N 3.1Å; G254-L257 PolarHBondContact O-N 3.12Å; G254-S258 PolarHBondContact O-N 3.19Å
255	D	98.1	Very high	96.7	Very high	81 Å²	81	41.3 Å²	41.3	43%	0.433	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-43.4	177.9	-58.3	-23.5	0	0	0	111.4	Q251 S252 F253 L257 S258 D259	Q251-D255 PolarHBondContact NE2-OD1 2.85Å; Q251-D255 VanDerWaalsContact O-CG 3.29Å; Q251-D255 PolarHBondContact O-N 3.04Å; S252-D255 PolarHBondContact O-N 2.86Å; F253-D255 VanDerWaalsContact C-N 3.33Å; F253-D255 PolarHBondContact O-N 2.85Å; D255-L257 VanDerWaalsContact C-N 3.32Å; D255-L257 PolarHBondContact O-N 2.96Å; D255-S258 WeakPolarHBondContact O-CB 3.48Å; D255-S258 PolarHBondContact O-N 3.36Å; D255-D259 PolarHBondContact O-N 3.4Å
256	L	98.4	Very high	96.8	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-39.7	175.5	-74.1	172.3	0	0	0	112.7	R157 L160 S252 F253 A260	R157-L256 HydrophobicContact CG-CD2 3.5Å; R157-L256 VanDerWaalsContact CG-CD2 3.5Å; L160-L256 HydrophobicContact CD1-CB 3.67Å; S252-L256 WeakPolarHBondContact O-CG 3.44Å; S252-L256 PolarHBondContact O-N 2.91Å; F253-L256 PolarHBondContact O-N 3.05Å; L256-A260 WeakPolarHBondContact O-CB 3.48Å; L256-A260 PolarHBondContact O-N 2.79Å
257	L	98.4	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-43.8	175	-70.7	166.3	0	0	0	111	L160 L173 I175 F253 G254 D255 D259 A260 F261 M265 H289	L160-L257 HydrophobicContact CD2-CD2 3.9Å; L173-L257 HydrophobicContact CD2-CD2 4.08Å; I175-L257 HydrophobicContact CG2-CD1 4.13Å; I175-L257 HydrophobicContact CG2-CD2 3.78Å; F253-L257 HydrophobicContact CD1-CD1 3.73Å; F253-L257 HydrophobicContact CD1-CG 4.33Å; F253-L257 HydrophobicContact CE1-CD1 3.65Å; F253-L257 HydrophobicContact CE1-CD2 4.46Å; F253-L257 HydrophobicContact CE1-CG 4.16Å; F253-L257 HydrophobicContact CZ-CD1 4.49Å; F253-L257 WeakPolarHBondContact O-CG 3.41Å; F253-L257 PolarHBondContact O-N 2.84Å; G254-L257 PolarHBondContact O-N 3.12Å; D255-L257 VanDerWaalsContact C-N 3.32Å; D255-L257 PolarHBondContact O-N 2.96Å; L257-D259 VanDerWaalsContact C-N 3.3Å; L257-D259 PolarHBondContact O-N 3.47Å; L257-A260 WeakPolarHBondContact O-CB 3.41Å; L257-A260 PolarHBondContact O-N 2.91Å; L257-A260 VanDerWaalsContact O-N 3.12Å; L257-F261 WeakPolarHBondContact O-CD2 3.29Å; L257-F261 PolarHBondContact O-N 2.69Å; L257-F261 VanDerWaalsContact O-N 3.1Å; L257-M265 HydrophobicContact CB-CE 3.91Å; L257-H289 HydrophobicContact CD1-CB 3.65Å; L257-H289 VanDerWaalsContact CD1-ND1 3.3Å; L257-H289 WeakPolarHBondContact CD1-ND1 3.41Å
258	S	97.7	Very high	96.8	Very high	42 Å²	42	50.4 Å²	50.4	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-45.3	177.9	-170.6	0	0	0	0	111.2	G254 D255 A260 F261 S262 A263 M265	G254-S258 PolarHBondContact O-N 3.19Å; D255-S258 WeakPolarHBondContact O-CB 3.48Å; D255-S258 PolarHBondContact O-N 3.36Å; S258-A260 VanDerWaalsContact C-N 3.34Å; S258-A260 PolarHBondContact O-N 3.01Å; S258-F261 CarbonylContact O-C 3.56Å; S258-F261 PolarHBondContact O-N 3.37Å; S258-S262 PolarHBondContact O-N 3.46Å; S258-S262 VanDerWaalsContact O-N 3.11Å; S258-A263 PolarHBondContact O-N 3.17Å; S258-M265 VanDerWaalsContact CA-CE 3.42Å; S258-M265 VanDerWaalsContact N-CE 3.35Å
259	D	97.4	Very high	96.8	Very high	88 Å²	88	52 Å²	52	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-42.7	175	-71.9	-15.3	0	0	0	111.8	R157 D255 L257 F261 S262	R157-D259 IonicContact CZ-OD2 3.51Å; R157-D259 IonicContact NH1-OD2 3.56Å; R157-D259 PolarHBondContact NH1-OD2 2.82Å; D255-D259 PolarHBondContact O-N 3.4Å; L257-D259 VanDerWaalsContact C-N 3.3Å; L257-D259 PolarHBondContact O-N 3.47Å; D259-F261 VanDerWaalsContact C-N 3.27Å; D259-F261 PolarHBondContact O-N 3.1Å; D259-S262 PolarHBondContact O-N 3.3Å
260	A	97.9	Very high	96.8	Very high	12 Å²	12	49.4 Å²	49.4	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-31.7	179.9	0	0	0	0	0	113.4	L160 R161 A164 L256 L257 S258	L160-A260 HydrophobicContact CB-CB 3.73Å; R161-A260 HydrophobicContact CG-CB 4.3Å; A164-A260 HydrophobicContact CB-CB 4.16Å; L256-A260 WeakPolarHBondContact O-CB 3.48Å; L256-A260 PolarHBondContact O-N 2.79Å; L257-A260 WeakPolarHBondContact O-CB 3.41Å; L257-A260 PolarHBondContact O-N 2.91Å; L257-A260 VanDerWaalsContact O-N 3.12Å; S258-A260 VanDerWaalsContact C-N 3.34Å; S258-A260 PolarHBondContact O-N 3.01Å
261	F	97.1	Very high	96.7	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.1	173.6	-76	-93	0	0	0	113.5	A164 V167 L173 L257 S258 D259 A263 N264 M265 C291 R293	A164-F261 HydrophobicContact CB-CD1 4.38Å; A164-F261 HydrophobicContact CB-CD2 3.95Å; A164-F261 HydrophobicContact CB-CE1 4.09Å; A164-F261 HydrophobicContact CB-CE2 3.63Å; A164-F261 HydrophobicContact CB-CG 4.33Å; A164-F261 HydrophobicContact CB-CZ 3.71Å; V167-F261 HydrophobicContact CB-CE1 4.33Å; V167-F261 HydrophobicContact CG2-CE1 4.37Å; V167-F261 HydrophobicContact CG2-CZ 4.13Å; L173-F261 HydrophobicContact CB-CE2 4.42Å; L173-F261 HydrophobicContact CB-CZ 3.92Å; L173-F261 HydrophobicContact CD2-CE2 3.82Å; L173-F261 HydrophobicContact CD2-CZ 4.05Å; L257-F261 WeakPolarHBondContact O-CD2 3.29Å; L257-F261 PolarHBondContact O-N 2.69Å; L257-F261 VanDerWaalsContact O-N 3.1Å; S258-F261 CarbonylContact O-C 3.56Å; S258-F261 PolarHBondContact O-N 3.37Å; D259-F261 VanDerWaalsContact C-N 3.27Å; D259-F261 PolarHBondContact O-N 3.1Å; F261-A263 PolarHBondContact O-N 3.09Å; F261-N264 WeakPolarHBondContact O-CB 3.21Å; F261-N264 PolarHBondContact O-N 3.11Å; F261-M265 HydrophobicContact CB-CB 3.89Å; F261-M265 HydrophobicContact CB-CG 3.94Å; F261-M265 HydrophobicContact CB-SD 3.81Å; F261-M265 HydrophobicContact CD1-CB 4.14Å; F261-M265 HydrophobicContact CD2-SD 3.42Å; F261-M265 WeakPolarHBondContact CD2-SD 3.38Å; F261-M265 HydrophobicContact CE2-SD 4.12Å; F261-M265 HydrophobicContact CG-CB 3.96Å; F261-M265 HydrophobicContact CG-CG 4.22Å; F261-M265 HydrophobicContact CG-SD 3.68Å; F261-C291 HydrophobicContact CD2-CB 4.47Å; F261-C291 HydrophobicContact CE2-CB 3.9Å; F261-C291 HydrophobicContact CZ-CB 4.1Å; F261-R293 HydrophobicContact CD1-CB 4.22Å; F261-R293 HydrophobicContact CD1-CG 4.4Å; F261-R293 HydrophobicContact CE1-CB 4.02Å
262	S	94.4	Very high	96.4	Very high	90 Å²	90	43.1 Å²	43.1	63%	0.629	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.2	-174	-53.5	0	0	0	0	112.5	S258 D259 N264	S258-S262 PolarHBondContact O-N 3.46Å; S258-S262 VanDerWaalsContact O-N 3.11Å; D259-S262 PolarHBondContact O-N 3.3Å; S262-N264 PolarHBondContact O-N 3.34Å; S262-N264 VanDerWaalsContact O-N 3.09Å; S262-N264 PolarHBondContact O-ND2 2.97Å
263	A	88.5	Confident	96.1	Very high	70 Å²	70	42 Å²	42	58%	0.579	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	9.3	-173.8	0	0	0	0	0	116.1	S258 F261 M265	S258-A263 PolarHBondContact O-N 3.17Å; F261-A263 PolarHBondContact O-N 3.09Å; A263-M265 VanDerWaalsContact C-N 3.27Å; A263-M265 PolarHBondContact O-N 3.35Å
264	N	92.6	Very high	95.8	Very high	80 Å²	80	48.4 Å²	48.4	43%	0.428	27%	0.27	S	S	.	.			trans	-91.6	54.7	178	-63.6	-47.3	0	0	0	111.4	F261 S262 T294	F261-N264 WeakPolarHBondContact O-CB 3.21Å; F261-N264 PolarHBondContact O-N 3.11Å; S262-N264 PolarHBondContact O-N 3.34Å; S262-N264 VanDerWaalsContact O-N 3.09Å; S262-N264 PolarHBondContact O-ND2 2.97Å; N264-T294 PolarHBondContact O-N 2.87Å; N264-T294 PolarHBondContact O-OG1 3.19Å; N264-T294 VanDerWaalsContact O-OG1 3.11Å
265	M	95.7	Very high	95.6	Very high	27 Å²	27	51.6 Å²	51.6	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.3	177.5	72.1	177	-170.7	0	0	113.9	L257 S258 F261 A263 H267 C291 K292	L257-M265 HydrophobicContact CB-CE 3.91Å; S258-M265 VanDerWaalsContact CA-CE 3.42Å; S258-M265 VanDerWaalsContact N-CE 3.35Å; F261-M265 HydrophobicContact CB-CB 3.89Å; F261-M265 HydrophobicContact CB-CG 3.94Å; F261-M265 HydrophobicContact CB-SD 3.81Å; F261-M265 HydrophobicContact CD1-CB 4.14Å; F261-M265 HydrophobicContact CD2-SD 3.42Å; F261-M265 WeakPolarHBondContact CD2-SD 3.38Å; F261-M265 HydrophobicContact CE2-SD 4.12Å; F261-M265 HydrophobicContact CG-CB 3.96Å; F261-M265 HydrophobicContact CG-CG 4.22Å; F261-M265 HydrophobicContact CG-SD 3.68Å; A263-M265 VanDerWaalsContact C-N 3.27Å; A263-M265 PolarHBondContact O-N 3.35Å; M265-H267 HydrophobicContact CE-CB 3.78Å; M265-C291 HydrophobicContact SD-CB 3.63Å; M265-K292 CarbonylContact C-O 3.31Å; M265-K292 WeakPolarHBondContact CA-O 3.2Å; M265-K292 WeakPolarHBondContact CB-O 3.36Å
266	E	97.4	Very high	95.4	Very high	101 Å²	101	49.9 Å²	49.9	47%	0.472	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.6	157	-62.1	163.3	-145.4	0	0	108	C291 K292 T294	E266-C291 CarbonylContact O-C 3.51Å; E266-C291 WeakPolarHBondContact O-CA 3.47Å; E266-K292 HydrophobicContact CB-CB 4.26Å; E266-K292 PolarHBondContact N-O 3.26Å; E266-K292 PolarHBondContact O-N 2.91Å; E266-K292 IonicContact OE1-NZ 2.83Å; E266-K292 PolarHBondContact OE1-NZ 3.29Å; E266-K292 IonicContact OE2-NZ 3.3Å; E266-K292 PolarHBondContact OE2-NZ 3.44Å; E266-T294 HydrophobicContact CG-CG2 3.97Å
267	H	97.5	Very high	95.1	Very high	71 Å²	71	58.8 Å²	58.8	33%	0.329	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.4	-177	-176.8	-150.1	0	0	0	111.4	M265 H289 C291	M265-H267 HydrophobicContact CE-CB 3.78Å; H267-H289 AromaticContact CE1-ND1 3.36Å; H267-H289 PolarHBondContact CE1-ND1 3.33Å; H267-H289 AromaticContact NE2-CE1 3.96Å; H267-H289 AromaticContact NE2-CG 3.61Å; H267-H289 AromaticContact NE2-ND1 2.95Å; H267-H289 PolarHBondContact NE2-ND1 3Å; H267-C291 VanDerWaalsContact CD2-SG 3.59Å
268	T	97.6	Very high	94.7	Very high	67 Å²	67	64.3 Å²	64.3	41%	0.411	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.3	173.9	-55.5	0	0	0	0	110.1	Y270 V290	T268-Y270 HydrophobicContact CG2-CD2 4.24Å; T268-Y270 HydrophobicContact CG2-CE1 4.48Å; T268-Y270 HydrophobicContact CG2-CE2 3.55Å; T268-V290 PolarHBondContact N-O 3.12Å; T268-V290 PolarHBondContact O-N 3.26Å
269	V	97.9	Very high	94	Very high	33 Å²	33	66.2 Å²	66.2	20%	0.2	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.8	176	180	0	0	0	0	110	L250 F276 F287 I288	L250-V269 HydrophobicContact CD1-CG1 3.88Å; L250-V269 HydrophobicContact CD1-CG2 4.36Å; V269-F276 HydrophobicContact CG1-CD1 4.18Å; V269-F287 HydrophobicContact CG1-CB 4.31Å; V269-F287 HydrophobicContact CG1-CD1 4.01Å; V269-I288 CarbonylContact C-O 3.52Å; V269-I288 WeakPolarHBondContact CA-O 3.36Å
270	Y	97.2	Very high	93.4	Very high	49 Å²	49	64.8 Å²	64.8	19%	0.192	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.4	173.1	-60.6	-94.4	0	0	0	109.8	W49 T268 K274 F287 I288 V290	W49-Y270 HydrophobicContact CH2-CD2 4.41Å; W49-Y270 HydrophobicContact CZ2-CD1 4.25Å; W49-Y270 AromaticContact CZ2-CD2 3.76Å; W49-Y270 HydrophobicContact CZ2-CD2 3.76Å; W49-Y270 HydrophobicContact CZ2-CE1 4.44Å; W49-Y270 AromaticContact CZ2-CE2 3.96Å; W49-Y270 HydrophobicContact CZ2-CE2 3.96Å; W49-Y270 AromaticContact CZ2-CG 3.91Å; W49-Y270 HydrophobicContact CZ2-CG 3.91Å; T268-Y270 HydrophobicContact CG2-CD2 4.24Å; T268-Y270 HydrophobicContact CG2-CE1 4.48Å; T268-Y270 HydrophobicContact CG2-CE2 3.55Å; Y270-K274 CarbonylContact C-O 3.6Å; Y270-K274 VanDerWaalsContact CA-O 3.26Å; Y270-K274 WeakPolarHBondContact CA-O 3.31Å; Y270-K274 VanDerWaalsContact CB-O 3.31Å; Y270-K274 WeakPolarHBondContact CB-O 3.49Å; Y270-F287 WeakPolarHBondContact O-CA 3.18Å; Y270-I288 PolarHBondContact N-O 2.73Å; Y270-I288 PolarHBondContact O-N 3.2Å; Y270-V290 HydrophobicContact CD2-CG2 3.93Å; Y270-V290 HydrophobicContact CE2-CB 4.2Å; Y270-V290 HydrophobicContact CE2-CG2 3.65Å
271	G	94.6	Very high	92.8	Very high	2 Å²	2	71.3 Å²	71.3	2%	0.021	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.6	171.6	0	0	0	0	0	107.9	F273 K274 Y286	G271-F273 VanDerWaalsContact C-N 3.27Å; G271-F273 PolarHBondContact O-N 2.73Å; G271-K274 PolarHBondContact N-O 3.11Å; G271-K274 WeakPolarHBondContact O-CB 3.38Å; G271-K274 PolarHBondContact O-N 2.63Å; G271-Y286 WeakPolarHBondContact CA-O 3.35Å
272	D	91.9	Very high	92.4	Very high	35 Å²	35	76 Å²	76	19%	0.187	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	47.4	-178.3	-58.6	-21.8	0	0	0	113.3	I195 K274 P284 C285 Y286	I195-D272 HydrophobicContact CD1-CB 4.19Å; I195-D272 HydrophobicContact CG2-CB 3.98Å; D272-K274 PolarHBondContact O-N 2.85Å; D272-K274 VanDerWaalsContact O-N 3.15Å; D272-P284 VanDerWaalsContact OD2-CA 3.26Å; D272-P284 WeakPolarHBondContact OD2-CA 3.49Å; D272-C285 VanDerWaalsContact CG-N 3.34Å; D272-C285 PolarHBondContact OD1-N 3.07Å; D272-C285 PolarHBondContact OD2-N 3.09Å; D272-Y286 PolarHBondContact N-O 2.92Å; D272-Y286 VanDerWaalsContact N-O 3.13Å; D272-Y286 PolarHBondContact OD1-N 2.88Å
273	F	91.4	Very high	92.1	Very high	18 Å²	18	74 Å²	74	8%	0.079	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	11	-177.2	-47.1	-63	0	0	0	116.1	Y46 W49 I195 Y196 G271 I288	Y46-F273 HydrophobicContact CD2-CD1 4.35Å; Y46-F273 HydrophobicContact CD2-CD2 4.46Å; Y46-F273 AromaticContact CD2-CE1 3.56Å; Y46-F273 HydrophobicContact CD2-CE1 3.56Å; Y46-F273 AromaticContact CD2-CE2 3.69Å; Y46-F273 HydrophobicContact CD2-CE2 3.69Å; Y46-F273 AromaticContact CD2-CZ 3.18Å; Y46-F273 HydrophobicContact CD2-CZ 3.18Å; Y46-F273 HydrophobicContact CE2-CE1 4.01Å; Y46-F273 AromaticContact CE2-CZ 3.87Å; Y46-F273 HydrophobicContact CE2-CZ 3.87Å; Y46-F273 HydrophobicContact CG-CE2 4.07Å; Y46-F273 AromaticContact CG-CZ 3.96Å; Y46-F273 HydrophobicContact CG-CZ 3.96Å; W49-F273 HydrophobicContact CB-CB 4.17Å; W49-F273 HydrophobicContact CB-CG 4.49Å; W49-F273 HydrophobicContact CD2-CB 4.01Å; W49-F273 AromaticContact CD2-CD1 3.77Å; W49-F273 HydrophobicContact CD2-CD1 3.77Å; W49-F273 HydrophobicContact CD2-CG 4.25Å; W49-F273 AromaticContact CE3-CD1 3.57Å; W49-F273 HydrophobicContact CE3-CD1 3.57Å; W49-F273 HydrophobicContact CE3-CE1 4.15Å; W49-F273 HydrophobicContact CE3-CG 4.42Å; W49-F273 HydrophobicContact CG-CB 3.75Å; W49-F273 HydrophobicContact CG-CD1 4.26Å; W49-F273 HydrophobicContact CG-CG 4.27Å; W49-F273 HydrophobicContact CH2-CD1 4.47Å; W49-F273 AromaticContact CZ3-CD1 3.96Å; W49-F273 HydrophobicContact CZ3-CD1 3.96Å; W49-F273 HydrophobicContact CZ3-CE1 4.35Å; W49-F273 PolarHBondContact NE1-O 2.94Å; W49-F273 VanDerWaalsContact NE1-O 3.07Å; I195-F273 HydrophobicContact CB-CE2 4.02Å; I195-F273 HydrophobicContact CD1-CD2 4.12Å; I195-F273 HydrophobicContact CD1-CE2 3.54Å; I195-F273 HydrophobicContact CD1-CZ 3.88Å; I195-F273 HydrophobicContact CG1-CE2 3.79Å; I195-F273 HydrophobicContact CG1-CZ 4.31Å; Y196-F273 AromaticContact CD1-CZ 3.93Å; Y196-F273 HydrophobicContact CD1-CZ 3.93Å; Y196-F273 HydrophobicContact CE1-CE1 4.15Å; Y196-F273 HydrophobicContact CE1-CE2 4.43Å; Y196-F273 AromaticContact CE1-CZ 3.44Å; Y196-F273 HydrophobicContact CE1-CZ 3.44Å; Y196-F273 VanDerWaalsContact CE1-CZ 3.44Å; Y196-F273 AromaticContact CZ-CZ 3.71Å; G271-F273 VanDerWaalsContact C-N 3.27Å; G271-F273 PolarHBondContact O-N 2.73Å; F273-I288 HydrophobicContact CD1-CD1 4.04Å; F273-I288 HydrophobicContact CD1-CG1 4.04Å; F273-I288 HydrophobicContact CE1-CD1 4.08Å; F273-I288 HydrophobicContact CE1-CG1 3.8Å
274	K	92.4	Very high	92.3	Very high	135 Å²	135	70.8 Å²	70.8	59%	0.587	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	159.9	176	-63.5	170.5	-173.1	170.3	0	110.4	Y270 G271 D272 F276	Y270-K274 CarbonylContact C-O 3.6Å; Y270-K274 VanDerWaalsContact CA-O 3.26Å; Y270-K274 WeakPolarHBondContact CA-O 3.31Å; Y270-K274 VanDerWaalsContact CB-O 3.31Å; Y270-K274 WeakPolarHBondContact CB-O 3.49Å; G271-K274 PolarHBondContact N-O 3.11Å; G271-K274 WeakPolarHBondContact O-CB 3.38Å; G271-K274 PolarHBondContact O-N 2.63Å; D272-K274 PolarHBondContact O-N 2.85Å; D272-K274 VanDerWaalsContact O-N 3.15Å; K274-F276 PolarHBondContact O-N 3.01Å
275	A	94	Very high	92.2	Very high	77 Å²	77	68.1 Å²	68.1	64%	0.636	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	123.9	175.4	0	0	0	0	0	109.6
276	F	94	Very high	92.1	Very high	45 Å²	45	67.3 Å²	67.3	20%	0.197	38%	0.376	C	S	.	.			trans	-86.1	138.7	-177.6	175	-119	0	0	0	111.4	L250 V269 K274 P278 Q280 P284 F287	L250-F276 HydrophobicContact CD2-CD1 4.42Å; L250-F276 HydrophobicContact CD2-CE1 3.55Å; L250-F276 HydrophobicContact CD2-CZ 3.94Å; V269-F276 HydrophobicContact CG1-CD1 4.18Å; K274-F276 PolarHBondContact O-N 3.01Å; F276-P278 HydrophobicContact CE1-CG 4.18Å; F276-P278 HydrophobicContact CZ-CG 4.5Å; F276-Q280 HydrophobicContact CD2-CG 4.36Å; F276-Q280 HydrophobicContact CE2-CG 4.29Å; F276-P284 HydrophobicContact CD2-CG 4.18Å; F276-P284 HydrophobicContact CE2-CG 4.13Å; F276-F287 HydrophobicContact CD1-CE1 4.36Å; F276-F287 AromaticContact CD2-CE1 3.87Å; F276-F287 HydrophobicContact CD2-CE1 3.87Å; F276-F287 HydrophobicContact CE1-CE1 4.05Å; F276-F287 AromaticContact CE2-CE1 3.53Å; F276-F287 HydrophobicContact CE2-CE1 3.53Å; F276-F287 HydrophobicContact CE2-CZ 4.21Å; F276-F287 HydrophobicContact CG-CE1 4.28Å; F276-F287 AromaticContact CZ-CE1 3.62Å; F276-F287 HydrophobicContact CZ-CE1 3.62Å; F276-F287 HydrophobicContact CZ-CZ 4.12Å
277	R	91.4	Very high	92.1	Very high	189 Å²	189	62.9 Å²	62.9	71%	0.713	36%	0.355	S	S	*	.			trans	-127.4	129.9	167.1	-61.5	-176.6	-175.4	-164.1	0.6	109.6	G279 Q280	R277-G279 PolarHBondContact O-N 3.16Å; R277-Q280 HydrophobicContact CB-CB 4.47Å; R277-Q280 WeakPolarHBondContact O-CB 3.25Å; R277-Q280 WeakPolarHBondContact O-CG 2.95Å; R277-Q280 PolarHBondContact O-N 3.07Å; R277-Q280 VanDerWaalsContact O-N 3.1Å; R277-Q280 PolarHBondContact O-OE1 2.89Å
278	P	89.1	Confident	92.1	Very high	116 Å²	116	59.5 Å²	59.5	75%	0.753	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	131.9	172.9	-26.5	35	0	0	0	111.4	F276 Q280	F276-P278 HydrophobicContact CE1-CG 4.18Å; F276-P278 HydrophobicContact CZ-CG 4.5Å; P278-Q280 VanDerWaalsContact C-N 3.35Å
279	G	83.6	Confident	92.1	Very high	83 Å²	83	56.3 Å²	56.3	86%	0.856	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	12.9	-178.8	0	0	0	0	0	115.7	R277	R277-G279 PolarHBondContact O-N 3.16Å
280	Q	85.9	Confident	92.2	Very high	57 Å²	57	55.2 Å²	55.2	27%	0.266	31%	0.313	S	S	.	.			trans	-63.8	145.1	173.4	69.9	-179	43.4	0	0	112.3	F276 R277 P278 P282	F276-Q280 HydrophobicContact CD2-CG 4.36Å; F276-Q280 HydrophobicContact CE2-CG 4.29Å; R277-Q280 HydrophobicContact CB-CB 4.47Å; R277-Q280 WeakPolarHBondContact O-CB 3.25Å; R277-Q280 WeakPolarHBondContact O-CG 2.95Å; R277-Q280 PolarHBondContact O-N 3.07Å; R277-Q280 VanDerWaalsContact O-N 3.1Å; R277-Q280 PolarHBondContact O-OE1 2.89Å; P278-Q280 VanDerWaalsContact C-N 3.35Å; Q280-P282 CarbonylContact O-C 3.6Å
281	D	84.9	Confident	92.2	Very high	150 Å²	150	52.9 Å²	52.9	80%	0.802	30%	0.304	S	S	*	.	S	Bend	trans	-121.6	127.6	175.8	-174.1	36.5	0	0	0	109.5
282	P	87.6	Confident	92.4	Very high	101 Å²	101	55.7 Å²	55.7	66%	0.656	32%	0.315	S	S	*	.	S	Bend	cis	-66.7	150.7	-3.5	29.4	-35.2	0	0	0	113.5	Q280	Q280-P282 CarbonylContact O-C 3.6Å
283	P	89	Confident	92.7	Very high	47 Å²	47	56 Å²	56	31%	0.305	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64	142.7	173.2	27.4	-33.7	0	0	0	110	Y182	Y182-P283 HydrophobicContact CD2-CB 4.2Å; Y182-P283 HydrophobicContact CD2-CG 3.79Å; Y182-P283 HydrophobicContact CE2-CG 3.81Å
284	P	91.8	Very high	92.7	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.026	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.4	149.2	179.6	29.7	-34.2	0	0	0	110.8	N179 D272 F276 F287	N179-P284 WeakPolarHBondContact CB-O 3.32Å; N179-P284 PolarHBondContact ND2-O 3.35Å; D272-P284 VanDerWaalsContact OD2-CA 3.26Å; D272-P284 WeakPolarHBondContact OD2-CA 3.49Å; F276-P284 HydrophobicContact CD2-CG 4.18Å; F276-P284 HydrophobicContact CE2-CG 4.13Å; P284-F287 HydrophobicContact CG-CD1 4.16Å; P284-F287 HydrophobicContact CG-CE1 3.5Å; P284-F287 HydrophobicContact CG-CZ 3.91Å
285	C	90.7	Very high	91.7	Very high	23 Å²	23	56.1 Å²	56.1	16%	0.155	34%	0.336	C	S	.	.	S	Bend	trans	-76.9	-33.4	174.1	-69.2	0	0	0	0	111.7	R178 N179 D272	R178-C285 WeakPolarHBondContact CA-O 3.1Å; N179-C285 PolarHBondContact N-O 2.93Å; D272-C285 VanDerWaalsContact CG-N 3.34Å; D272-C285 PolarHBondContact OD1-N 3.07Å; D272-C285 PolarHBondContact OD2-N 3.09Å
286	Y	93.7	Very high	91.6	Very high	11 Å²	11	55.1 Å²	55.1	4%	0.043	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145	-179.3	-64.6	-102.4	0	0	0	111.5	N141 D176 H177 R178 I195 Y196 G271 D272	N141-Y286 HydrophobicContact CB-CD1 4.26Å; N141-Y286 HydrophobicContact CB-CE1 3.75Å; D176-Y286 WeakPolarHBondContact OD2-CD1 3.28Å; H177-Y286 WeakPolarHBondContact O-CA 3.5Å; R178-Y286 HydrophobicContact CG-CD1 3.96Å; R178-Y286 HydrophobicContact CG-CE1 3.57Å; R178-Y286 PolarHBondContact NH2-OH 2.99Å; I195-Y286 HydrophobicContact CD1-CD2 3.52Å; I195-Y286 HydrophobicContact CD1-CE2 4.4Å; I195-Y286 HydrophobicContact CD1-CG 3.86Å; I195-Y286 HydrophobicContact CG1-CD2 3.68Å; I195-Y286 HydrophobicContact CG1-CE2 4.07Å; I195-Y286 HydrophobicContact CG1-CG 4.38Å; Y196-Y286 HydrophobicContact CD2-CD1 4.45Å; Y196-Y286 HydrophobicContact CD2-CD2 4.49Å; Y196-Y286 HydrophobicContact CD2-CE1 4.1Å; Y196-Y286 HydrophobicContact CD2-CE2 4.21Å; Y196-Y286 AromaticContact CD2-CZ 3.99Å; Y196-Y286 AromaticContact CE2-CD1 3.59Å; Y196-Y286 HydrophobicContact CE2-CD1 3.59Å; Y196-Y286 HydrophobicContact CE2-CD2 4.04Å; Y196-Y286 AromaticContact CE2-CE1 3.63Å; Y196-Y286 HydrophobicContact CE2-CE1 3.63Å; Y196-Y286 HydrophobicContact CE2-CE2 4.14Å; Y196-Y286 AromaticContact CE2-CG 3.78Å; Y196-Y286 HydrophobicContact CE2-CG 3.78Å; Y196-Y286 AromaticContact CE2-CZ 3.94Å; G271-Y286 WeakPolarHBondContact CA-O 3.35Å; D272-Y286 PolarHBondContact N-O 2.92Å; D272-Y286 VanDerWaalsContact N-O 3.13Å; D272-Y286 PolarHBondContact OD1-N 2.88Å
287	F	96.9	Very high	91.4	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.7	165.1	-66.8	-62.6	0	0	0	109.1	D176 H177 N179 L250 V269 Y270 F276 P284	D176-F287 CarbonylContact C-O 3.59Å; D176-F287 WeakPolarHBondContact CA-O 3.1Å; D176-F287 WeakPolarHBondContact CB-O 3.14Å; H177-F287 AromaticContact CE1-CD2 3.68Å; H177-F287 PolarHBondContact N-O 2.96Å; H177-F287 PolarHBondContact O-N 3.27Å; N179-F287 HydrophobicContact CB-CD2 4.26Å; N179-F287 HydrophobicContact CB-CE2 3.83Å; N179-F287 HydrophobicContact CB-CZ 4.44Å; N179-F287 VanDerWaalsContact CG-CE2 3.47Å; N179-F287 WeakPolarHBondContact OD1-CE2 3.2Å; L250-F287 HydrophobicContact CB-CD2 4.13Å; L250-F287 HydrophobicContact CB-CE2 3.97Å; L250-F287 HydrophobicContact CB-CZ 4.44Å; L250-F287 HydrophobicContact CD1-CB 4.09Å; L250-F287 HydrophobicContact CD1-CD1 4.01Å; L250-F287 HydrophobicContact CD1-CD2 4.05Å; L250-F287 HydrophobicContact CD1-CE1 4.46Å; L250-F287 HydrophobicContact CD1-CE2 4.48Å; L250-F287 HydrophobicContact CD1-CG 3.79Å; L250-F287 HydrophobicContact CD2-CD1 4.21Å; L250-F287 HydrophobicContact CD2-CE1 3.85Å; L250-F287 HydrophobicContact CD2-CE2 4.2Å; L250-F287 HydrophobicContact CD2-CZ 3.84Å; L250-F287 HydrophobicContact CG-CD2 4.46Å; L250-F287 HydrophobicContact CG-CE2 4.44Å; V269-F287 HydrophobicContact CG1-CB 4.31Å; V269-F287 HydrophobicContact CG1-CD1 4.01Å; Y270-F287 WeakPolarHBondContact O-CA 3.18Å; F276-F287 HydrophobicContact CD1-CE1 4.36Å; F276-F287 AromaticContact CD2-CE1 3.87Å; F276-F287 HydrophobicContact CD2-CE1 3.87Å; F276-F287 HydrophobicContact CE1-CE1 4.05Å; F276-F287 AromaticContact CE2-CE1 3.53Å; F276-F287 HydrophobicContact CE2-CE1 3.53Å; F276-F287 HydrophobicContact CE2-CZ 4.21Å; F276-F287 HydrophobicContact CG-CE1 4.28Å; F276-F287 AromaticContact CZ-CE1 3.62Å; F276-F287 HydrophobicContact CZ-CE1 3.62Å; F276-F287 HydrophobicContact CZ-CZ 4.12Å; P284-F287 HydrophobicContact CG-CD1 4.16Å; P284-F287 HydrophobicContact CG-CE1 3.5Å; P284-F287 HydrophobicContact CG-CZ 3.91Å
288	I	98.3	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.3	177.7	-55.4	85.6	0	0	0	107.8	W49 I174 D176 I195 V269 Y270 F273	W49-I288 HydrophobicContact CH2-CG2 3.79Å; W49-I288 HydrophobicContact CZ3-CG2 4.22Å; I174-I288 HydrophobicContact CG2-CG2 3.73Å; D176-I288 HydrophobicContact CB-CG1 4.13Å; I195-I288 HydrophobicContact CD1-CD1 4.47Å; V269-I288 CarbonylContact C-O 3.52Å; V269-I288 WeakPolarHBondContact CA-O 3.36Å; Y270-I288 PolarHBondContact N-O 2.73Å; Y270-I288 PolarHBondContact O-N 3.2Å; F273-I288 HydrophobicContact CD1-CD1 4.04Å; F273-I288 HydrophobicContact CD1-CG1 4.04Å; F273-I288 HydrophobicContact CE1-CD1 4.08Å; F273-I288 HydrophobicContact CE1-CG1 3.8Å
289	H	98.6	Very high	91.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.2	179	-63	-117.9	0	0	0	108.6	I174 I175 H177 F253 L257 H267	I174-H289 WeakPolarHBondContact CA-O 3.43Å; I175-H289 HydrophobicContact CG2-CB 3.97Å; I175-H289 PolarHBondContact N-O 3.43Å; I175-H289 WeakPolarHBondContact O-CA 3.44Å; I175-H289 WeakPolarHBondContact O-CB 3.4Å; I175-H289 PolarHBondContact O-N 3.47Å; H177-H289 AromaticContact CD2-CD2 3.97Å; H177-H289 AromaticContact CD2-NE2 3.58Å; H177-H289 AromaticContact NE2-NE2 3.21Å; H177-H289 PolarHBondContact NE2-NE2 2.86Å; F253-H289 AromaticContact CD1-CD2 3.89Å; F253-H289 AromaticContact CD1-CE1 3.7Å; F253-H289 AromaticContact CD1-ND1 3.97Å; F253-H289 AromaticContact CD1-NE2 3.66Å; L257-H289 HydrophobicContact CD1-CB 3.65Å; L257-H289 VanDerWaalsContact CD1-ND1 3.3Å; L257-H289 WeakPolarHBondContact CD1-ND1 3.41Å; H267-H289 AromaticContact CE1-ND1 3.36Å; H267-H289 PolarHBondContact CE1-ND1 3.33Å; H267-H289 AromaticContact NE2-CE1 3.96Å; H267-H289 AromaticContact NE2-CG 3.61Å; H267-H289 AromaticContact NE2-ND1 2.95Å; H267-H289 PolarHBondContact NE2-ND1 3Å
290	V	98.6	Very high	92.1	Very high	10 Å²	10	41.8 Å²	41.8	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.4	170.2	-177.2	0	0	0	0	107.5	W49 L53 L173 I174 T268 Y270	W49-V290 HydrophobicContact CH2-CG2 3.86Å; W49-V290 HydrophobicContact CZ2-CG2 4.31Å; L53-V290 HydrophobicContact CD2-CG1 4.23Å; L53-V290 HydrophobicContact CD2-CG2 3.82Å; L173-V290 WeakPolarHBondContact O-CA 3.28Å; I174-V290 HydrophobicContact CG2-CG2 4.42Å; T268-V290 PolarHBondContact N-O 3.12Å; T268-V290 PolarHBondContact O-N 3.26Å; Y270-V290 HydrophobicContact CD2-CG2 3.93Å; Y270-V290 HydrophobicContact CE2-CB 4.2Å; Y270-V290 HydrophobicContact CE2-CG2 3.65Å
291	C	98.5	Very high	92.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.5	-178.7	-63	0	0	0	0	108.7	I172 L173 F261 M265 E266 H267	I172-C291 CarbonylContact C-O 3.55Å; I172-C291 VanDerWaalsContact CA-O 3.3Å; I172-C291 WeakPolarHBondContact CA-O 3.19Å; L173-C291 HydrophobicContact CB-CB 4.22Å; L173-C291 PolarHBondContact N-O 3.17Å; L173-C291 PolarHBondContact O-N 3.16Å; F261-C291 HydrophobicContact CD2-CB 4.47Å; F261-C291 HydrophobicContact CE2-CB 3.9Å; F261-C291 HydrophobicContact CZ-CB 4.1Å; M265-C291 HydrophobicContact SD-CB 3.63Å; E266-C291 CarbonylContact O-C 3.51Å; E266-C291 WeakPolarHBondContact O-CA 3.47Å; H267-C291 VanDerWaalsContact CD2-SG 3.59Å
292	K	98.3	Very high	93	Very high	60 Å²	60	33 Å²	33	26%	0.261	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.3	175.9	177.1	-178.2	161.1	-141.4	0	109.5	G171 I172 M265 E266 T294	G171-K292 WeakPolarHBondContact O-CA 3.44Å; I172-K292 HydrophobicContact CG2-CB 3.87Å; I172-K292 HydrophobicContact CG2-CG 4.04Å; M265-K292 CarbonylContact C-O 3.31Å; M265-K292 WeakPolarHBondContact CA-O 3.2Å; M265-K292 WeakPolarHBondContact CB-O 3.36Å; E266-K292 HydrophobicContact CB-CB 4.26Å; E266-K292 PolarHBondContact N-O 3.26Å; E266-K292 PolarHBondContact O-N 2.91Å; E266-K292 IonicContact OE1-NZ 2.83Å; E266-K292 PolarHBondContact OE1-NZ 3.29Å; E266-K292 IonicContact OE2-NZ 3.3Å; E266-K292 PolarHBondContact OE2-NZ 3.44Å; K292-T294 PolarHBondContact O-N 2.79Å
293	R	97.1	Very high	93.4	Very high	42 Å²	42	27.8 Å²	27.8	16%	0.158	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	122.9	177	-177.2	178.9	-78.6	-89.2	0.8	109.6	A164 V167 R168 G170 G171 F261 A295	A164-R293 PolarHBondContact O-NH2 3.33Å; V167-R293 HydrophobicContact CG1-CB 4.14Å; V167-R293 WeakPolarHBondContact O-CD 3.48Å; V167-R293 PolarHBondContact O-NE 3.05Å; R168-R293 WeakPolarHBondContact O-CD 3.49Å; G170-R293 WeakPolarHBondContact CA-O 3.15Å; G170-R293 PolarHBondContact N-O 2.85Å; G171-R293 PolarHBondContact O-N 3.1Å; F261-R293 HydrophobicContact CD1-CB 4.22Å; F261-R293 HydrophobicContact CD1-CG 4.4Å; F261-R293 HydrophobicContact CE1-CB 4.02Å; R293-A295 VanDerWaalsContact CD-O 3.29Å; R293-A295 WeakPolarHBondContact CD-O 3.42Å; R293-A295 WeakPolarHBondContact CG-O 3.22Å; R293-A295 PolarHBondContact NH1-O 3.35Å
294	T	92.3	Very high	93.8	Very high	74 Å²	74	26.2 Å²	26.2	45%	0.454	16%	0.156	S	C	.	.			trans	-85.1	-27.6	-178.8	53.3	0	0	0	0	113.1	N264 E266 K292	N264-T294 PolarHBondContact O-N 2.87Å; N264-T294 PolarHBondContact O-OG1 3.19Å; N264-T294 VanDerWaalsContact O-OG1 3.11Å; E266-T294 HydrophobicContact CG-CG2 3.97Å; K292-T294 PolarHBondContact O-N 2.79Å
295	A	71.2	Confident	94	Very high	82 Å²	82	28.2 Å²	28.2	68%	0.678	17%	0.168	S	C	*	.			trans	-145.1	0	179.5	0	0	0	0	0	111.6	P169 R293	P169-A295 VanDerWaalsContact CB-OXT 3.23Å; P169-A295 WeakPolarHBondContact CB-OXT 3.46Å; P169-A295 WeakPolarHBondContact CG-OXT 3.43Å; R293-A295 VanDerWaalsContact CD-O 3.29Å; R293-A295 WeakPolarHBondContact CD-O 3.42Å; R293-A295 WeakPolarHBondContact CG-O 3.22Å; R293-A295 PolarHBondContact NH1-O 3.35Å

Retrieved 295 of 295 residues in 169.6 ms (Link to these results)

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