A0A087XYZ1_POEFO Loading...

Cytochrome P450 2U1

A cytochrome P450 monooxygenase involved in the metabolism of arachidonic acid and its conjugates. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (CPR; NADPH-ferrihemoprotein reductase). Acts as an omega and omega-1 hydroxylase for arachidonic acid and possibly for other long chain fatty acids. May modulate the arachidonic acid signaling pathway and play a role in other fatty acid signaling processes. May down-regulate the biological activities of N-arachidonoyl-serotonin, an endocannabinoid that has anti-nociceptive effects through inhibition of fatty acid amide hydrolase FAAH, TRPV1 receptor and T-type calcium channels. Catalyzes C-2 oxidation of the indole ring of N-arachidonoyl-serotonin forming a less active product 2-oxo-N-arachidonoyl-serotonin.

AlphaFold DB , UniProt , Accession A0A087XYZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 539 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	45.4	Very low	50.8	Low	249 Å²	249	107.8 Å²	107.8	100%	1.227	62%	0.622	S	S	*	*				0	86.5	0	-76	170.3	165.5	0	0	107.7
2	G	44.9	Very low	51	Low	77 Å²	77	105.3 Å²	105.3	79%	0.794	62%	0.615	S	S	*	*			trans	-80.5	135	178.3	0	0	0	0	0	110.2
3	S	49.9	Very low	51.3	Low	88 Å²	88	102 Å²	102	62%	0.615	60%	0.602	S	S	*	*			trans	-67.1	130.6	-167.9	58.4	0	0	0	0	113	S5	S3-S5 PolarHBondContact O-N 2.87Å; S3-S5 PolarHBondContact OG-OG 3.33Å
4	L	54.2	Low	51.4	Low	133 Å²	133	97.8 Å²	97.8	70%	0.696	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	28	164	-71.2	157.2	0	0	0	112	L7	L4-L7 HydrophobicContact CD2-CD1 3.52Å; L4-L7 PolarHBondContact O-N 2.8Å
5	S	53.2	Low	51.6	Low	63 Å²	63	99.3 Å²	99.3	44%	0.441	59%	0.587	S	S	.	*	H	α-helix	trans	-70.6	-31.7	-176.1	51.9	0	0	0	0	112.5	S3 L7 A8 D9	S3-S5 PolarHBondContact O-N 2.87Å; S3-S5 PolarHBondContact OG-OG 3.33Å; S5-L7 VanDerWaalsContact C-N 3.3Å; S5-L7 PolarHBondContact O-N 2.96Å; S5-A8 PolarHBondContact O-N 2.95Å; S5-D9 PolarHBondContact O-N 2.97Å
6	W	51.5	Low	52.2	Low	160 Å²	160	95.3 Å²	95.3	61%	0.606	57%	0.566	S	S	*	*	H	α-helix	trans	-68.1	-25.9	178.3	71.3	-78.8	0	0	0	113.7	L10	W6-L10 HydrophobicContact CE3-CD1 3.8Å; W6-L10 HydrophobicContact CZ3-CD1 4.11Å; W6-L10 PolarHBondContact O-N 2.83Å
7	L	52.8	Low	52.7	Low	87 Å²	87	96.4 Å²	96.4	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-76.6	-29	174.9	-79.2	161.6	0	0	0	112.3	L4 S5 S11	L4-L7 HydrophobicContact CD2-CD1 3.52Å; L4-L7 PolarHBondContact O-N 2.8Å; S5-L7 VanDerWaalsContact C-N 3.3Å; S5-L7 PolarHBondContact O-N 2.96Å; L7-S11 WeakPolarHBondContact O-CB 3.3Å; L7-S11 PolarHBondContact O-N 3.01Å
8	A	51.9	Low	53.5	Low	54 Å²	54	96.2 Å²	96.2	45%	0.446	58%	0.578	S	S	.	*	H	α-helix	trans	-70.3	-40.9	175.2	0	0	0	0	0	111.5	S5 S11 S12	S5-A8 PolarHBondContact O-N 2.95Å; A8-S11 PolarHBondContact O-N 3.17Å; A8-S11 PolarHBondContact O-OG 3.18Å; A8-S12 PolarHBondContact O-N 3.42Å; A8-S12 VanDerWaalsContact O-N 3.16Å; A8-S12 PolarHBondContact O-OG 2.72Å
9	D	50.6	Low	54.2	Low	112 Å²	112	95.1 Å²	95.1	60%	0.599	57%	0.569	S	S	*	*	H	α-helix	trans	-73.2	-29.8	178.8	-73.7	-29.8	0	0	0	113.9	S5 S12 S13	S5-D9 PolarHBondContact O-N 2.97Å; D9-S12 PolarHBondContact O-OG 3.04Å; D9-S13 WeakPolarHBondContact O-CB 3.27Å; D9-S13 PolarHBondContact O-N 3.28Å; D9-S13 PolarHBondContact O-OG 2.67Å
10	L	51.3	Low	55.2	Low	100 Å²	100	94.5 Å²	94.5	52%	0.524	56%	0.561	S	S	.	*	H	α-helix	trans	-69	-34.5	169.6	-104.4	134.5	0	0	0	111.9	W6 A14	W6-L10 HydrophobicContact CE3-CD1 3.8Å; W6-L10 HydrophobicContact CZ3-CD1 4.11Å; W6-L10 PolarHBondContact O-N 2.83Å; L10-A14 WeakPolarHBondContact O-CB 3.41Å; L10-A14 PolarHBondContact O-N 3.23Å
11	S	52.7	Low	56.3	Low	63 Å²	63	96 Å²	96	44%	0.441	57%	0.565	S	S	.	*	H	α-helix	trans	-72.3	-34.9	179.3	79.2	0	0	0	0	113.1	L7 A8 L15	L7-S11 WeakPolarHBondContact O-CB 3.3Å; L7-S11 PolarHBondContact O-N 3.01Å; A8-S11 PolarHBondContact O-N 3.17Å; A8-S11 PolarHBondContact O-OG 3.18Å; S11-L15 WeakPolarHBondContact O-CB 3.29Å; S11-L15 WeakPolarHBondContact O-CD1 3.33Å
12	S	53.5	Low	58.1	Low	77 Å²	77	87.7 Å²	87.7	54%	0.538	53%	0.53	S	S	.	.	H	α-helix	trans	-81	-31.2	-177.8	63.4	0	0	0	0	113.2	A8 D9	A8-S12 PolarHBondContact O-N 3.42Å; A8-S12 VanDerWaalsContact O-N 3.16Å; A8-S12 PolarHBondContact O-OG 2.72Å; D9-S12 PolarHBondContact O-OG 3.04Å
13	S	54.8	Low	60	Low	63 Å²	63	88.1 Å²	88.1	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-83.9	-39.5	179.6	56.8	0	0	0	0	112.9	D9 S16 N19	D9-S13 WeakPolarHBondContact O-CB 3.27Å; D9-S13 PolarHBondContact O-N 3.28Å; D9-S13 PolarHBondContact O-OG 2.67Å; S13-S16 PolarHBondContact O-OG 3.43Å; S13-N19 PolarHBondContact O-ND2 3.07Å
14	A	52.9	Low	61.7	Low	43 Å²	43	89.1 Å²	89.1	36%	0.355	51%	0.512	S	S	.	.	H	α-helix	trans	-74	-26.5	-178	0	0	0	0	0	114.3	L10	L10-A14 WeakPolarHBondContact O-CB 3.41Å; L10-A14 PolarHBondContact O-N 3.23Å
15	L	53.7	Low	63.2	Low	120 Å²	120	87.7 Å²	87.7	63%	0.628	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	8.1	-178	-70	165.3	0	0	0	113.9	S11 M20	S11-L15 WeakPolarHBondContact O-CB 3.29Å; S11-L15 WeakPolarHBondContact O-CD1 3.33Å; L15-M20 HydrophobicContact CD2-SD 3.81Å
16	S	61.3	Low	64.9	Low	35 Å²	35	90.9 Å²	90.9	25%	0.245	51%	0.51	C	S	.	.	S	Bend	trans	-65.3	142.9	173.5	63.1	0	0	0	0	110.5	S13 P18 N19 M20	S13-S16 PolarHBondContact O-OG 3.43Å; S16-P18 VanDerWaalsContact C-N 3.29Å; S16-P18 VanDerWaalsContact O-N 3.1Å; S16-N19 PolarHBondContact O-N 3.45Å; S16-N19 PolarHBondContact OG-ND2 3.39Å; S16-M20 PolarHBondContact O-N 3.37Å
17	P	61.9	Low	66.6	Low	115 Å²	115	89 Å²	89	75%	0.747	51%	0.506	S	S	*	.	H	α-helix	trans	-46.5	-38.8	179.4	-25.3	31.5	0	0	0	115.9	N19	P17-N19 VanDerWaalsContact C-N 3.33Å; P17-N19 PolarHBondContact O-N 3.06Å
18	P	65.8	Low	68.1	Low	92 Å²	92	88.2 Å²	88.2	60%	0.597	51%	0.505	S	S	*	.	H	α-helix	trans	-71.4	-21.1	177.2	26.1	-33.8	0	0	0	114.6	S16 P22	S16-P18 VanDerWaalsContact C-N 3.29Å; S16-P18 VanDerWaalsContact O-N 3.1Å; P18-P22 WeakPolarHBondContact O-CD 3.38Å
19	N	66.8	Low	69.7	Low	76 Å²	76	89.2 Å²	89.2	41%	0.406	51%	0.506	S	S	.	.	H	α-helix	trans	-94.7	-16.2	179.3	-73.2	-15.8	0	0	0	113.5	S13 S16 P17 P22 L23	S13-N19 PolarHBondContact O-ND2 3.07Å; S16-N19 PolarHBondContact O-N 3.45Å; S16-N19 PolarHBondContact OG-ND2 3.39Å; P17-N19 VanDerWaalsContact C-N 3.33Å; P17-N19 PolarHBondContact O-N 3.06Å; N19-P22 WeakPolarHBondContact O-CD 3.15Å; N19-L23 WeakPolarHBondContact O-CB 3.27Å; N19-L23 PolarHBondContact O-N 3.13Å
20	M	75.4	Confident	71.3	Confident	83 Å²	83	88.4 Å²	88.4	41%	0.409	50%	0.497	S	S	.	.	H	α-helix	trans	-70.8	-36.2	176.2	-73.7	-68.2	-74.7	0	0	113	L15 S16 L24	L15-M20 HydrophobicContact CD2-SD 3.81Å; S16-M20 PolarHBondContact O-N 3.37Å; M20-L24 VanDerWaalsContact O-CB 3.26Å; M20-L24 WeakPolarHBondContact O-CB 3.47Å; M20-L24 PolarHBondContact O-N 3.17Å
21	L	78.1	Confident	72.8	Confident	125 Å²	125	90 Å²	90	65%	0.654	50%	0.497	S	S	*	.	H	α-helix	trans	-67.6	-47.9	-178.1	-165.8	80.2	0	0	0	112.6	L23 L24 L25	L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 2.83Å; L21-L24 PolarHBondContact O-N 3.01Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 PolarHBondContact O-N 3.48Å
22	P	83.1	Confident	74.2	Confident	75 Å²	75	89.5 Å²	89.5	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-36.8	175	-20.3	32.5	0	0	0	113	P18 N19 L25 F26	P18-P22 WeakPolarHBondContact O-CD 3.38Å; N19-P22 WeakPolarHBondContact O-CD 3.15Å; P22-L25 PolarHBondContact O-N 2.99Å; P22-F26 WeakPolarHBondContact O-CB 3.5Å; P22-F26 PolarHBondContact O-N 3.33Å
23	L	84.1	Confident	75.4	Confident	87 Å²	87	89 Å²	89	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-45.8	177.1	-138.9	92.1	0	0	0	110.9	N19 L21 F26 F27	N19-L23 WeakPolarHBondContact O-CB 3.27Å; N19-L23 PolarHBondContact O-N 3.13Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 2.83Å; L23-F26 WeakPolarHBondContact O-CB 3.33Å; L23-F26 PolarHBondContact O-N 3.49Å; L23-F27 HydrophobicContact CD2-CD2 4.4Å; L23-F27 HydrophobicContact CD2-CE2 3.74Å; L23-F27 HydrophobicContact CG-CD2 4.35Å; L23-F27 HydrophobicContact CG-CE2 3.94Å; L23-F27 WeakPolarHBondContact O-CD2 3.3Å; L23-F27 PolarHBondContact O-N 3Å
24	L	85.8	Confident	76.6	Confident	109 Å²	109	93 Å²	93	57%	0.571	49%	0.488	S	S	*	.	H	α-helix	trans	-64.7	-41.6	177.9	-164.2	142.1	0	0	0	111	M20 L21 F27 V28	M20-L24 VanDerWaalsContact O-CB 3.26Å; M20-L24 WeakPolarHBondContact O-CB 3.47Å; M20-L24 PolarHBondContact O-N 3.17Å; L21-L24 PolarHBondContact O-N 3.01Å; L24-F27 PolarHBondContact O-N 3.38Å; L24-V28 HydrophobicContact CD2-CG2 4.19Å; L24-V28 WeakPolarHBondContact O-CB 3.4Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 2.91Å
25	L	86.5	Confident	77.6	Confident	103 Å²	103	92.5 Å²	92.5	54%	0.539	48%	0.478	S	S	.	.	H	α-helix	trans	-60.7	-44.2	172.1	-115.7	144.3	0	0	0	112	L21 P22 V28 V29	L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 PolarHBondContact O-N 3.48Å; P22-L25 PolarHBondContact O-N 2.99Å; L25-V28 PolarHBondContact O-N 2.88Å; L25-V29 HydrophobicContact CD2-CG2 4.37Å; L25-V29 WeakPolarHBondContact O-CB 3.18Å; L25-V29 VanDerWaalsContact O-CG2 3.26Å; L25-V29 WeakPolarHBondContact O-CG2 3.46Å; L25-V29 PolarHBondContact O-N 3.46Å
26	F	87.4	Confident	78.6	Confident	129 Å²	129	92.5 Å²	92.5	57%	0.566	47%	0.47	S	S	*	.	H	α-helix	trans	-61.1	-47	176.2	175.6	-95	0	0	0	111.6	P22 L23 V28 V29 F30	P22-F26 WeakPolarHBondContact O-CB 3.5Å; P22-F26 PolarHBondContact O-N 3.33Å; L23-F26 WeakPolarHBondContact O-CB 3.33Å; L23-F26 PolarHBondContact O-N 3.49Å; F26-V28 PolarHBondContact O-N 3.05Å; F26-V29 PolarHBondContact O-N 3.12Å; F26-F30 HydrophobicContact CE1-CB 4.49Å; F26-F30 WeakPolarHBondContact O-CB 3.22Å; F26-F30 PolarHBondContact O-N 3.31Å
27	F	87.1	Confident	79.1	Confident	120 Å²	120	96.6 Å²	96.6	53%	0.526	49%	0.485	S	S	.	.	H	α-helix	trans	-64.3	-38.8	177.1	-78.8	-65.1	0	0	0	112.4	L23 L24 Y31	L23-F27 HydrophobicContact CD2-CD2 4.4Å; L23-F27 HydrophobicContact CD2-CE2 3.74Å; L23-F27 HydrophobicContact CG-CD2 4.35Å; L23-F27 HydrophobicContact CG-CE2 3.94Å; L23-F27 WeakPolarHBondContact O-CD2 3.3Å; L23-F27 PolarHBondContact O-N 3Å; L24-F27 PolarHBondContact O-N 3.38Å; F27-Y31 WeakPolarHBondContact O-CB 3.24Å; F27-Y31 PolarHBondContact O-N 3.4Å
28	V	86.1	Confident	79.5	Confident	72 Å²	72	98.3 Å²	98.3	44%	0.436	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-49.7	174.6	169.1	0	0	0	0	110.5	L24 L25 F26 Y31 L32	L24-V28 HydrophobicContact CD2-CG2 4.19Å; L24-V28 WeakPolarHBondContact O-CB 3.4Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 2.91Å; L25-V28 PolarHBondContact O-N 2.88Å; F26-V28 PolarHBondContact O-N 3.05Å; V28-Y31 PolarHBondContact O-N 3.18Å; V28-L32 HydrophobicContact CG1-CD1 3.95Å; V28-L32 HydrophobicContact CG1-CG 4.41Å; V28-L32 WeakPolarHBondContact O-CB 3.41Å; V28-L32 WeakPolarHBondContact O-CG 3.25Å; V28-L32 PolarHBondContact O-N 3.49Å
29	V	83.8	Confident	79.7	Confident	75 Å²	75	95.2 Å²	95.2	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-64.3	-44.1	179	172.8	0	0	0	0	111	L25 F26 Y31 L32 V33	L25-V29 HydrophobicContact CD2-CG2 4.37Å; L25-V29 WeakPolarHBondContact O-CB 3.18Å; L25-V29 VanDerWaalsContact O-CG2 3.26Å; L25-V29 WeakPolarHBondContact O-CG2 3.46Å; L25-V29 PolarHBondContact O-N 3.46Å; F26-V29 PolarHBondContact O-N 3.12Å; V29-Y31 VanDerWaalsContact C-N 3.35Å; V29-Y31 PolarHBondContact O-N 3.26Å; V29-L32 PolarHBondContact O-N 2.9Å; V29-V33 HydrophobicContact CG1-CG2 4.31Å; V29-V33 WeakPolarHBondContact O-CB 3.42Å; V29-V33 VanDerWaalsContact O-CG2 3.29Å; V29-V33 WeakPolarHBondContact O-CG2 3.38Å; V29-V33 PolarHBondContact O-N 3.35Å
30	F	84.6	Confident	79.7	Confident	94 Å²	94	101.9 Å²	101.9	41%	0.412	48%	0.478	S	S	.	.	H	α-helix	trans	-60.5	-44.5	176	178.1	-98	0	0	0	111.4	F26 V33 R34	F26-F30 HydrophobicContact CE1-CB 4.49Å; F26-F30 WeakPolarHBondContact O-CB 3.22Å; F26-F30 PolarHBondContact O-N 3.31Å; F30-V33 PolarHBondContact O-N 3.45Å; F30-R34 HydrophobicContact CD1-CG 4.21Å; F30-R34 HydrophobicContact CE1-CG 3.82Å; F30-R34 HydrophobicContact CE2-CG 4.15Å; F30-R34 HydrophobicContact CZ-CG 3.8Å; F30-R34 WeakPolarHBondContact O-CB 3.24Å; F30-R34 WeakPolarHBondContact O-CG 3.43Å; F30-R34 PolarHBondContact O-N 3.31Å
31	Y	83.5	Confident	79.4	Confident	135 Å²	135	100.6 Å²	100.6	53%	0.529	49%	0.487	S	S	.	.	H	α-helix	trans	-62	-45.2	174.9	-178.9	-95.7	0	0	0	111.3	F27 V28 V29 R34 F35 V55	F27-Y31 WeakPolarHBondContact O-CB 3.24Å; F27-Y31 PolarHBondContact O-N 3.4Å; V28-Y31 PolarHBondContact O-N 3.18Å; V29-Y31 VanDerWaalsContact C-N 3.35Å; V29-Y31 PolarHBondContact O-N 3.26Å; Y31-R34 PolarHBondContact O-N 2.85Å; Y31-F35 WeakPolarHBondContact O-CB 3.36Å; Y31-F35 PolarHBondContact O-N 3.48Å; Y31-V55 HydrophobicContact CE1-CG2 4.22Å
32	L	81.6	Confident	79	Confident	51 Å²	51	98.6 Å²	98.6	27%	0.267	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-46.4	176	-72.2	172.1	0	0	0	111.4	V28 V29 F35 Y36 P54	V28-L32 HydrophobicContact CG1-CD1 3.95Å; V28-L32 HydrophobicContact CG1-CG 4.41Å; V28-L32 WeakPolarHBondContact O-CB 3.41Å; V28-L32 WeakPolarHBondContact O-CG 3.25Å; V28-L32 PolarHBondContact O-N 3.49Å; V29-L32 PolarHBondContact O-N 2.9Å; L32-F35 WeakPolarHBondContact O-CB 3.19Å; L32-F35 PolarHBondContact O-N 3.49Å; L32-Y36 WeakPolarHBondContact O-CB 3.41Å; L32-Y36 WeakPolarHBondContact O-CD2 3.07Å; L32-Y36 PolarHBondContact O-N 2.64Å; L32-P54 HydrophobicContact CD2-CB 3.4Å; L32-P54 VanDerWaalsContact CD2-CB 3.4Å; L32-P54 HydrophobicContact CD2-CG 3.84Å
33	V	80.1	Confident	78.7	Confident	67 Å²	67	97.5 Å²	97.5	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-62.8	-47.6	178	170.9	0	0	0	0	111	V29 F30 F35 Y36 Q37	V29-V33 HydrophobicContact CG1-CG2 4.31Å; V29-V33 WeakPolarHBondContact O-CB 3.42Å; V29-V33 VanDerWaalsContact O-CG2 3.29Å; V29-V33 WeakPolarHBondContact O-CG2 3.38Å; V29-V33 PolarHBondContact O-N 3.35Å; F30-V33 PolarHBondContact O-N 3.45Å; V33-F35 VanDerWaalsContact C-N 3.32Å; V33-F35 PolarHBondContact O-N 3.14Å; V33-Y36 PolarHBondContact O-N 3.15Å; V33-Q37 HydrophobicContact CG1-CG 4.41Å; V33-Q37 WeakPolarHBondContact O-CB 3.4Å; V33-Q37 VanDerWaalsContact O-CG 3.3Å; V33-Q37 WeakPolarHBondContact O-CG 3.24Å; V33-Q37 PolarHBondContact O-N 3.33Å
34	R	78.1	Confident	78.6	Confident	148 Å²	148	103 Å²	103	56%	0.558	48%	0.477	S	S	*	.	H	α-helix	trans	-61.7	-40.3	176	-77.1	-69.2	-167.9	127.6	-1	111.9	F30 Y31 Q37 K38	F30-R34 HydrophobicContact CD1-CG 4.21Å; F30-R34 HydrophobicContact CE1-CG 3.82Å; F30-R34 HydrophobicContact CE2-CG 4.15Å; F30-R34 HydrophobicContact CZ-CG 3.8Å; F30-R34 WeakPolarHBondContact O-CB 3.24Å; F30-R34 WeakPolarHBondContact O-CG 3.43Å; F30-R34 PolarHBondContact O-N 3.31Å; Y31-R34 PolarHBondContact O-N 2.85Å; R34-Q37 PolarHBondContact O-N 3.15Å; R34-K38 VanDerWaalsContact O-CB 3.25Å; R34-K38 WeakPolarHBondContact O-CB 3.44Å; R34-K38 PolarHBondContact O-N 2.87Å
35	F	75.9	Confident	78.8	Confident	32 Å²	32	102.3 Å²	102.3	14%	0.14	47%	0.474	C	S	.	.	H	α-helix	trans	-60.6	-52.3	175.4	178	-93.3	0	0	0	110.5	Y31 L32 V33 Q37 K38 Q39	Y31-F35 WeakPolarHBondContact O-CB 3.36Å; Y31-F35 PolarHBondContact O-N 3.48Å; L32-F35 WeakPolarHBondContact O-CB 3.19Å; L32-F35 PolarHBondContact O-N 3.49Å; V33-F35 VanDerWaalsContact C-N 3.32Å; V33-F35 PolarHBondContact O-N 3.14Å; F35-Q37 PolarHBondContact O-N 3.47Å; F35-K38 PolarHBondContact O-N 2.86Å; F35-Q39 HydrophobicContact CD1-CG 4.32Å; F35-Q39 HydrophobicContact CE1-CG 4.04Å; F35-Q39 HydrophobicContact CE2-CG 4.46Å; F35-Q39 HydrophobicContact CZ-CG 4.13Å; F35-Q39 WeakPolarHBondContact O-CB 3.31Å; F35-Q39 VanDerWaalsContact O-CG 3.31Å; F35-Q39 WeakPolarHBondContact O-CG 3.22Å; F35-Q39 PolarHBondContact O-N 2.98Å
36	Y	73.2	Confident	79.2	Confident	119 Å²	119	98.8 Å²	98.8	47%	0.467	46%	0.455	S	S	.	.	H	α-helix	trans	-61.7	-41.1	177.8	-83.8	-67.4	0	0	0	112.7	L32 V33 Q39 R40 P54	L32-Y36 WeakPolarHBondContact O-CB 3.41Å; L32-Y36 WeakPolarHBondContact O-CD2 3.07Å; L32-Y36 PolarHBondContact O-N 2.64Å; V33-Y36 PolarHBondContact O-N 3.15Å; Y36-Q39 PolarHBondContact O-N 3.47Å; Y36-R40 WeakPolarHBondContact O-CB 3.41Å; Y36-R40 PolarHBondContact O-N 2.59Å; Y36-P54 HydrophobicContact CE2-CG 4.18Å; Y36-P54 WeakPolarHBondContact OH-CG 3.41Å
37	Q	72.2	Confident	79.6	Confident	121 Å²	121	92.7 Å²	92.7	57%	0.565	43%	0.428	S	S	*	.	H	α-helix	trans	-65.1	-45.5	176.8	-74.5	176.4	-4.8	0	0	112.1	V33 R34 F35 Q39 R40 G41	V33-Q37 HydrophobicContact CG1-CG 4.41Å; V33-Q37 WeakPolarHBondContact O-CB 3.4Å; V33-Q37 VanDerWaalsContact O-CG 3.3Å; V33-Q37 WeakPolarHBondContact O-CG 3.24Å; V33-Q37 PolarHBondContact O-N 3.33Å; R34-Q37 PolarHBondContact O-N 3.15Å; F35-Q37 PolarHBondContact O-N 3.47Å; Q37-Q39 VanDerWaalsContact C-N 3.35Å; Q37-Q39 PolarHBondContact O-N 3.31Å; Q37-R40 PolarHBondContact O-N 2.78Å; Q37-G41 PolarHBondContact O-N 2.94Å
38	K	69.8	Low	80	Confident	151 Å²	151	89.5 Å²	89.5	66%	0.657	42%	0.42	S	S	*	.	H	α-helix	trans	-61.6	-43.6	176.3	-175.8	177.5	179.4	-178.5	0	111.1	R34 F35 G41 I42	R34-K38 VanDerWaalsContact O-CB 3.25Å; R34-K38 WeakPolarHBondContact O-CB 3.44Å; R34-K38 PolarHBondContact O-N 2.87Å; F35-K38 PolarHBondContact O-N 2.86Å; K38-G41 PolarHBondContact O-N 2.99Å; K38-I42 HydrophobicContact CD-CD1 4.43Å; K38-I42 HydrophobicContact CG-CD1 3.76Å; K38-I42 WeakPolarHBondContact O-CG1 3.02Å; K38-I42 PolarHBondContact O-N 3.01Å; K38-I42 VanDerWaalsContact O-N 3.12Å
39	Q	69.7	Low	80.3	Confident	28 Å²	28	87.1 Å²	87.1	13%	0.131	41%	0.41	C	S	.	.	H	α-helix	trans	-61.8	-43	175.4	-75.4	-143.3	-26.2	0	0	111.9	F35 Y36 Q37 G41 I42 Y43	F35-Q39 HydrophobicContact CD1-CG 4.32Å; F35-Q39 HydrophobicContact CE1-CG 4.04Å; F35-Q39 HydrophobicContact CE2-CG 4.46Å; F35-Q39 HydrophobicContact CZ-CG 4.13Å; F35-Q39 WeakPolarHBondContact O-CB 3.31Å; F35-Q39 VanDerWaalsContact O-CG 3.31Å; F35-Q39 WeakPolarHBondContact O-CG 3.22Å; F35-Q39 PolarHBondContact O-N 2.98Å; Y36-Q39 PolarHBondContact O-N 3.47Å; Q37-Q39 VanDerWaalsContact C-N 3.35Å; Q37-Q39 PolarHBondContact O-N 3.31Å; Q39-G41 VanDerWaalsContact C-N 3.27Å; Q39-G41 PolarHBondContact O-N 3.48Å; Q39-I42 PolarHBondContact O-N 3.4Å; Q39-Y43 HydrophobicContact CB-CD2 3.8Å; Q39-Y43 HydrophobicContact CB-CE2 4.09Å; Q39-Y43 HydrophobicContact CG-CD2 4.03Å; Q39-Y43 HydrophobicContact CG-CE2 3.79Å; Q39-Y43 VanDerWaalsContact O-CB 3.24Å; Q39-Y43 WeakPolarHBondContact O-CB 3.19Å; Q39-Y43 VanDerWaalsContact O-CD2 3.22Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.42Å; Q39-Y43 PolarHBondContact O-N 3.44Å
40	R	68.3	Low	80.6	Confident	215 Å²	215	84.9 Å²	84.9	81%	0.811	40%	0.397	S	S	*	.	H	α-helix	trans	-64	-30.8	-179.2	-154.5	176.2	-171	176.6	1.7	113.3	Y36 Q37	Y36-R40 WeakPolarHBondContact O-CB 3.41Å; Y36-R40 PolarHBondContact O-N 2.59Å; Q37-R40 PolarHBondContact O-N 2.78Å
41	G	68.9	Low	80.7	Confident	57 Å²	57	91.6 Å²	91.6	59%	0.588	42%	0.42	S	S	*	.	H	α-helix	trans	-77.4	-49.4	175.7	0	0	0	0	0	113.4	Q37 K38 Q39	Q37-G41 PolarHBondContact O-N 2.94Å; K38-G41 PolarHBondContact O-N 2.99Å; Q39-G41 VanDerWaalsContact C-N 3.27Å; Q39-G41 PolarHBondContact O-N 3.48Å
42	I	69.8	Low	80.8	Confident	83 Å²	83	86.9 Å²	86.9	43%	0.426	41%	0.406	S	S	.	.	H	α-helix	trans	-70.3	-35.6	-177.1	-63.2	173.3	0	0	0	111.4	K38 Q39	K38-I42 HydrophobicContact CD-CD1 4.43Å; K38-I42 HydrophobicContact CG-CD1 3.76Å; K38-I42 WeakPolarHBondContact O-CG1 3.02Å; K38-I42 PolarHBondContact O-N 3.01Å; K38-I42 VanDerWaalsContact O-N 3.12Å; Q39-I42 PolarHBondContact O-N 3.4Å
43	Y	77	Confident	80.9	Confident	52 Å²	52	90.7 Å²	90.7	20%	0.204	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	32.9	-172.9	-54.1	-51.1	0	0	0	113.1	Q39 N45 I46 F100 L105 P421	Q39-Y43 HydrophobicContact CB-CD2 3.8Å; Q39-Y43 HydrophobicContact CB-CE2 4.09Å; Q39-Y43 HydrophobicContact CG-CD2 4.03Å; Q39-Y43 HydrophobicContact CG-CE2 3.79Å; Q39-Y43 VanDerWaalsContact O-CB 3.24Å; Q39-Y43 WeakPolarHBondContact O-CB 3.19Å; Q39-Y43 VanDerWaalsContact O-CD2 3.22Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.42Å; Q39-Y43 PolarHBondContact O-N 3.44Å; Y43-N45 PolarHBondContact O-N 2.99Å; Y43-I46 HydrophobicContact CD1-CG2 4.04Å; Y43-I46 HydrophobicContact CG-CD1 4.31Å; Y43-I46 HydrophobicContact CG-CG2 4.39Å; Y43-F100 HydrophobicContact CD2-CE1 4.18Å; Y43-F100 HydrophobicContact CD2-CZ 4.12Å; Y43-F100 AromaticContact CE2-CE1 3.76Å; Y43-F100 HydrophobicContact CE2-CE1 3.76Å; Y43-F100 HydrophobicContact CE2-CZ 4.18Å; Y43-F100 HydrophobicContact CG-CZ 4.44Å; Y43-F100 AromaticContact CZ-CE1 3.96Å; Y43-L105 HydrophobicContact CD1-CD2 3.92Å; Y43-L105 HydrophobicContact CE1-CB 4.23Å; Y43-L105 HydrophobicContact CE1-CD2 3.87Å; Y43-P421 HydrophobicContact CD1-CG 4.23Å; Y43-P421 HydrophobicContact CE1-CG 4.43Å
44	R	80.7	Confident	80.9	Confident	203 Å²	203	89.6 Å²	89.6	77%	0.766	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	122.2	173.7	-169.9	177	179.3	-178.3	-1.1	109.3	T419	R44-T419 PolarHBondContact O-OG1 3.43Å
45	N	91.1	Very high	80.8	Confident	94 Å²	94	85.4 Å²	85.4	50%	0.503	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	31.9	-179.9	-163.8	51.7	0	0	0	115.1	Y43 G417 F418 T419	Y43-N45 PolarHBondContact O-N 2.99Å; N45-G417 PolarHBondContact ND2-O 2.9Å; N45-F418 WeakPolarHBondContact O-CA 3.15Å; N45-T419 PolarHBondContact O-N 3.4Å
46	I	94.3	Very high	81.1	Confident	28 Å²	28	85 Å²	85	14%	0.144	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-70.8	162.9	166.9	63.3	161	0	0	0	110.7	Y43 F100 L105 P421	Y43-I46 HydrophobicContact CD1-CG2 4.04Å; Y43-I46 HydrophobicContact CG-CD1 4.31Å; Y43-I46 HydrophobicContact CG-CG2 4.39Å; I46-F100 HydrophobicContact CD1-CE2 4.22Å; I46-F100 HydrophobicContact CD1-CZ 3.98Å; I46-L105 HydrophobicContact CD1-CD1 4.02Å; I46-L105 HydrophobicContact CD1-CD2 4.48Å; I46-L105 HydrophobicContact CG2-CD2 4.19Å; I46-P421 HydrophobicContact CG2-CG 4.39Å
47	P	96.1	Very high	81.7	Confident	1 Å²	1	79.3 Å²	79.3	1%	0.006	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-52.7	142.7	173.6	-26.6	36.1	0	0	0	112	I96 S98 V107 F418 I420	P47-I96 HydrophobicContact CB-CG2 3.87Å; P47-I96 HydrophobicContact CG-CG2 3.66Å; P47-S98 WeakPolarHBondContact O-CB 3.46Å; P47-S98 PolarHBondContact O-OG 3.45Å; P47-V107 HydrophobicContact CG-CG1 4.07Å; P47-V107 HydrophobicContact CG-CG2 4.01Å; P47-F418 HydrophobicContact CB-CD1 4.44Å; P47-F418 HydrophobicContact CB-CD2 4.31Å; P47-F418 HydrophobicContact CB-CG 4.22Å; P47-F418 HydrophobicContact CG-CB 3.77Å; P47-F418 HydrophobicContact CG-CD1 4.41Å; P47-F418 HydrophobicContact CG-CD2 4.09Å; P47-F418 HydrophobicContact CG-CG 3.83Å; P47-I420 HydrophobicContact CG-CD1 3.74Å
48	P	95.2	Very high	82.4	Confident	53 Å²	53	75.6 Å²	75.6	34%	0.344	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-62.1	160.6	178	30	-37.2	0	0	0	110.7	Y93 Y97 S98 F418	P48-Y93 HydrophobicContact CB-CD1 4.18Å; P48-Y93 WeakPolarHBondContact CG-O 3.44Å; P48-Y97 CarbonylContact O-C 3.4Å; P48-Y97 WeakPolarHBondContact O-CA 3.39Å; P48-Y97 WeakPolarHBondContact O-CB 3.3Å; P48-S98 PolarHBondContact O-N 3.02Å; P48-F418 HydrophobicContact CG-CZ 4.5Å
49	G	93.3	Very high	82.7	Confident	23 Å²	23	71.8 Å²	71.8	24%	0.237	35%	0.347	C	S	.	.			trans	-178.7	170.6	-179.3	0	0	0	0	0	112.8	S98	G49-S98 WeakPolarHBondContact CA-O 3.36Å
50	P	90.3	Very high	82.5	Confident	28 Å²	28	70.6 Å²	70.6	18%	0.182	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-60.5	141	176.2	25.5	-33.5	0	0	0	110.8	P52 N58 Y93 S98 L99	P50-P52 WeakPolarHBondContact O-CD 3.41Å; P50-N58 PolarHBondContact O-ND2 2.53Å; P50-Y93 WeakPolarHBondContact CA-OH 3.46Å; P50-Y93 HydrophobicContact CB-CE2 4.48Å; P50-Y93 HydrophobicContact CG-CE2 4.49Å; P50-S98 WeakPolarHBondContact CD-O 3.31Å; P50-L99 HydrophobicContact CG-CD2 3.35Å
51	R	85.2	Confident	82.3	Confident	235 Å²	235	61 Å²	61	89%	0.887	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-63.4	122	-177.4	-68.6	-176.8	179.5	168.5	1.2	110.8	N58	R51-N58 PolarHBondContact O-ND2 2.95Å
52	P	86.6	Confident	82	Confident	35 Å²	35	62 Å²	62	23%	0.227	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-74.6	148.3	-179.8	30.8	-35.3	0	0	0	111.4	P50 F100	P50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-F100 HydrophobicContact CB-CB 3.91Å; P52-F100 HydrophobicContact CB-CD2 3.82Å; P52-F100 HydrophobicContact CB-CG 4.01Å; P52-F100 HydrophobicContact CG-CD2 3.76Å; P52-F100 HydrophobicContact CG-CE2 4.1Å; P52-F100 HydrophobicContact CG-CG 4.26Å
53	W	83.3	Confident	81.7	Confident	131 Å²	131	61.3 Å²	61.3	50%	0.496	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-78.5	150.2	167.5	-70.6	17.1	0	0	0	110	V55 V56 G57 L64	W53-V55 PolarHBondContact O-N 3.19Å; W53-V56 HydrophobicContact CB-CG2 3.74Å; W53-V56 HydrophobicContact CE3-CG2 4.4Å; W53-G57 WeakPolarHBondContact CB-O 3.37Å; W53-G57 PolarHBondContact N-O 3.32Å; W53-G57 PolarHBondContact O-N 2.91Å; W53-L64 HydrophobicContact CH2-CD1 3.94Å; W53-L64 HydrophobicContact CZ3-CD1 4.19Å
54	P	79.3	Confident	81.1	Confident	45 Å²	45	61 Å²	61	29%	0.292	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.5	175	-23.1	31.7	0	0	0	111.7	L32 Y36 V56	L32-P54 HydrophobicContact CD2-CB 3.4Å; L32-P54 VanDerWaalsContact CD2-CB 3.4Å; L32-P54 HydrophobicContact CD2-CG 3.84Å; Y36-P54 HydrophobicContact CE2-CG 4.18Å; Y36-P54 WeakPolarHBondContact OH-CG 3.41Å; P54-V56 PolarHBondContact O-N 3.31Å
55	V	77.6	Confident	80.2	Confident	60 Å²	60	53.6 Å²	53.6	36%	0.364	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	-43.4	177.3	-175.1	0	0	0	0	115.4	Y31 W53 G102 F256	Y31-V55 HydrophobicContact CE1-CG2 4.22Å; W53-V55 PolarHBondContact O-N 3.19Å; V55-G102 CarbonylContact O-C 3.46Å; V55-G102 WeakPolarHBondContact O-CA 3.29Å; V55-F256 HydrophobicContact CG1-CZ 4.45Å
56	V	81.9	Confident	79	Confident	22 Å²	22	53.9 Å²	53.9	13%	0.133	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-10.3	-168.9	-58.9	0	0	0	0	113.6	W53 P54 L63 G102	W53-V56 HydrophobicContact CB-CG2 3.74Å; W53-V56 HydrophobicContact CE3-CG2 4.4Å; P54-V56 PolarHBondContact O-N 3.31Å; V56-L63 HydrophobicContact CB-CD1 3.77Å; V56-L63 HydrophobicContact CG1-CD1 3.28Å; V56-G102 PolarHBondContact O-N 3.11Å
57	G	86.2	Confident	77.5	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.01	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	71	-146.3	178.1	0	0	0	0	0	112.7	W53 F59 F100	W53-G57 WeakPolarHBondContact CB-O 3.37Å; W53-G57 PolarHBondContact N-O 3.32Å; W53-G57 PolarHBondContact O-N 2.91Å; G57-F59 PolarHBondContact O-N 2.92Å; G57-F100 CarbonylContact C-O 3.47Å; G57-F100 WeakPolarHBondContact CA-O 3.2Å
58	N	85.4	Confident	75.9	Confident	42 Å²	42	62.3 Å²	62.3	23%	0.225	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.3	179.6	-60.9	101.9	0	0	0	113.4	P50 R51 L99 F100	P50-N58 PolarHBondContact O-ND2 2.53Å; R51-N58 PolarHBondContact O-ND2 2.95Å; N58-L99 HydrophobicContact CB-CD2 4.49Å; N58-L99 WeakPolarHBondContact OD1-CA 3.36Å; N58-F100 PolarHBondContact N-O 2.73Å; N58-F100 PolarHBondContact OD1-N 3.14Å
59	F	75.7	Confident	74.2	Confident	71 Å²	71	63.5 Å²	63.5	31%	0.311	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	8.5	-178.2	-69.5	-96.3	0	0	0	113.2	G57 A61 L62 F100 V101	G57-F59 PolarHBondContact O-N 2.92Å; F59-A61 PolarHBondContact O-N 3.31Å; F59-A61 VanDerWaalsContact O-N 3.08Å; F59-L62 HydrophobicContact CB-CD1 4.33Å; F59-L62 HydrophobicContact CD1-CD1 3.7Å; F59-L62 WeakPolarHBondContact O-CB 3.48Å; F59-L62 PolarHBondContact O-N 3.03Å; F59-F100 WeakPolarHBondContact CD2-O 3.49Å; F59-V101 HydrophobicContact CD2-CB 4.3Å; F59-V101 HydrophobicContact CD2-CG2 3.44Å; F59-V101 VanDerWaalsContact CD2-CG2 3.44Å; F59-V101 HydrophobicContact CE2-CB 4.46Å; F59-V101 HydrophobicContact CE2-CG2 3.23Å; F59-V101 HydrophobicContact CG-CG2 4.35Å; F59-V101 HydrophobicContact CZ-CG2 3.97Å
60	G	66	Low	72.4	Confident	3 Å²	3	71.9 Å²	71.9	3%	0.031	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-55.5	-29	-179.1	0	0	0	0	0	114.6	L62 L63	G60-L62 VanDerWaalsContact C-N 3.26Å; G60-L62 PolarHBondContact O-N 3.38Å; G60-L63 WeakPolarHBondContact O-CB 3.29Å; G60-L63 PolarHBondContact O-N 3.35Å; G60-L63 VanDerWaalsContact O-N 3.13Å
61	A	64.6	Low	70.6	Confident	13 Å²	13	81.4 Å²	81.4	11%	0.107	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-67.8	-21.8	176.9	0	0	0	0	0	114.4	F59 L63 L64	F59-A61 PolarHBondContact O-N 3.31Å; F59-A61 VanDerWaalsContact O-N 3.08Å; A61-L63 VanDerWaalsContact C-N 3.27Å; A61-L64 PolarHBondContact O-N 3.42Å
62	L	61.8	Low	68.9	Low	80 Å²	80	77.1 Å²	77.1	42%	0.419	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-71.7	-23.1	173.1	-70	175.6	0	0	0	112.5	F59 G60 L64 V251	F59-L62 HydrophobicContact CB-CD1 4.33Å; F59-L62 HydrophobicContact CD1-CD1 3.7Å; F59-L62 WeakPolarHBondContact O-CB 3.48Å; F59-L62 PolarHBondContact O-N 3.03Å; G60-L62 VanDerWaalsContact C-N 3.26Å; G60-L62 PolarHBondContact O-N 3.38Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-V251 HydrophobicContact CD1-CG1 4.15Å
63	L	63.9	Low	66.6	Low	68 Å²	68	78.2 Å²	78.2	36%	0.356	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-83.5	-12.8	177	-68.2	167.1	0	0	0	112.5	V56 G60 A61 L252	V56-L63 HydrophobicContact CB-CD1 3.77Å; V56-L63 HydrophobicContact CG1-CD1 3.28Å; G60-L63 WeakPolarHBondContact O-CB 3.29Å; G60-L63 PolarHBondContact O-N 3.35Å; G60-L63 VanDerWaalsContact O-N 3.13Å; A61-L63 VanDerWaalsContact C-N 3.27Å; L63-L252 HydrophobicContact CD2-CD1 3.58Å; L63-L252 HydrophobicContact CD2-CD2 3.52Å; L63-L252 HydrophobicContact CD2-CG 4.15Å; L63-L252 HydrophobicContact CG-CD2 3.96Å
64	L	63.9	Low	64.7	Low	44 Å²	44	76.2 Å²	76.2	23%	0.23	38%	0.378	C	S	.	.	S	Bend	trans	-80.6	134.1	177.8	-65.5	178.3	0	0	0	110.6	W53 A61 L62 I68 F72	W53-L64 HydrophobicContact CH2-CD1 3.94Å; W53-L64 HydrophobicContact CZ3-CD1 4.19Å; A61-L64 PolarHBondContact O-N 3.42Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L64-I68 HydrophobicContact CB-CB 4.47Å; L64-I68 HydrophobicContact CB-CG2 4.4Å; L64-I68 HydrophobicContact CD1-CG2 4.26Å; L64-I68 HydrophobicContact CD2-CG2 4.24Å; L64-F72 HydrophobicContact CD1-CD2 4.26Å
65	P	63.6	Low	62.6	Low	49 Å²	49	79.8 Å²	79.8	32%	0.318	40%	0.399	S	S	.	.			trans	-52.8	146.3	172.2	-25.5	32	0	0	0	112.1	F67 I68 R69	P65-F67 HydrophobicContact CB-CD1 3.56Å; P65-F67 HydrophobicContact CB-CE1 3.18Å; P65-F67 HydrophobicContact CB-CG 4.38Å; P65-F67 HydrophobicContact CB-CZ 3.73Å; P65-F67 HydrophobicContact CG-CE1 3.92Å; P65-F67 HydrophobicContact CG-CZ 4.05Å; P65-F67 PolarHBondContact O-N 3.03Å; P65-I68 HydrophobicContact CB-CG1 4.3Å; P65-I68 HydrophobicContact CG-CD1 4.08Å; P65-I68 HydrophobicContact CG-CG1 4.36Å; P65-I68 PolarHBondContact O-N 3.33Å; P65-R69 PolarHBondContact O-N 2.98Å
66	P	64.9	Low	60.8	Low	100 Å²	100	80.2 Å²	80.2	65%	0.649	41%	0.405	S	S	*	.	H	α-helix	trans	-53.9	-33.5	-175.8	-27.9	34.1	0	0	0	114.5	R70	P66-R70 WeakPolarHBondContact O-CG 3.48Å; P66-R70 PolarHBondContact O-N 2.87Å
67	F	62.7	Low	58.6	Low	152 Å²	152	84.1 Å²	84.1	67%	0.667	43%	0.425	S	S	*	.	H	α-helix	trans	-70.7	-31.9	177.8	66.3	-93.8	0	0	0	113.1	P65	P65-F67 HydrophobicContact CB-CD1 3.56Å; P65-F67 HydrophobicContact CB-CE1 3.18Å; P65-F67 HydrophobicContact CB-CG 4.38Å; P65-F67 HydrophobicContact CB-CZ 3.73Å; P65-F67 HydrophobicContact CG-CE1 3.92Å; P65-F67 HydrophobicContact CG-CZ 4.05Å; P65-F67 PolarHBondContact O-N 3.03Å
68	I	62.5	Low	56.6	Low	53 Å²	53	94.7 Å²	94.7	27%	0.272	47%	0.465	S	S	.	.	H	α-helix	trans	-76	-41.1	175.2	-58.5	-168.2	0	0	0	109.9	L64 P65 R70 R71 F72	L64-I68 HydrophobicContact CB-CB 4.47Å; L64-I68 HydrophobicContact CB-CG2 4.4Å; L64-I68 HydrophobicContact CD1-CG2 4.26Å; L64-I68 HydrophobicContact CD2-CG2 4.24Å; P65-I68 HydrophobicContact CB-CG1 4.3Å; P65-I68 HydrophobicContact CG-CD1 4.08Å; P65-I68 HydrophobicContact CG-CG1 4.36Å; P65-I68 PolarHBondContact O-N 3.33Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 2.91Å; I68-R71 WeakPolarHBondContact O-CB 3.32Å; I68-R71 PolarHBondContact O-N 2.65Å; I68-F72 HydrophobicContact CG2-CD2 3.64Å; I68-F72 HydrophobicContact CG2-CE2 3.48Å; I68-F72 VanDerWaalsContact CG2-CE2 3.48Å; I68-F72 WeakPolarHBondContact O-CD2 3.42Å; I68-F72 PolarHBondContact O-N 3.47Å
69	R	59	Low	54.7	Low	79 Å²	79	98.5 Å²	98.5	30%	0.298	49%	0.485	S	S	.	.	H	α-helix	trans	-59.2	-39.2	179.1	-166.3	173.5	-179.2	-170.3	-4.6	113	P65 R71 F72 Q74	P65-R69 PolarHBondContact O-N 2.98Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 3.49Å; R69-F72 PolarHBondContact O-N 3.42Å; R69-Q74 HydrophobicContact CG-CB 4.02Å; R69-Q74 VanDerWaalsContact NE-OE1 3.08Å
70	R	56.1	Low	54	Low	199 Å²	199	99.4 Å²	99.4	75%	0.751	49%	0.492	S	S	*	.	H	α-helix	trans	-63	-31.9	173.3	-72.6	-179.9	-170.1	171.2	3.4	113.1	P66 I68	P66-R70 WeakPolarHBondContact O-CG 3.48Å; P66-R70 PolarHBondContact O-N 2.87Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 2.91Å
71	R	52.1	Low	54.5	Low	227 Å²	227	100 Å²	100	86%	0.857	50%	0.498	S	S	*	.	H	α-helix	trans	-78.9	-27.4	-177.6	-160.6	175.2	-175.6	156.9	1	113.1	I68 R69 G73	I68-R71 WeakPolarHBondContact O-CB 3.32Å; I68-R71 PolarHBondContact O-N 2.65Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 3.49Å; R71-G73 PolarHBondContact O-N 2.78Å
72	F	49.2	Very low	55.3	Low	146 Å²	146	102.8 Å²	102.8	64%	0.64	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	15.8	175.7	-81.3	-77.3	0	0	0	114	L64 I68 R69 Q74	L64-F72 HydrophobicContact CD1-CD2 4.26Å; I68-F72 HydrophobicContact CG2-CD2 3.64Å; I68-F72 HydrophobicContact CG2-CE2 3.48Å; I68-F72 VanDerWaalsContact CG2-CE2 3.48Å; I68-F72 WeakPolarHBondContact O-CD2 3.42Å; I68-F72 PolarHBondContact O-N 3.47Å; R69-F72 PolarHBondContact O-N 3.42Å; F72-Q74 PolarHBondContact O-N 2.92Å
73	G	39.3	Very low	56.6	Low	58 Å²	58	99.2 Å²	99.2	60%	0.598	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	7.3	177.8	0	0	0	0	0	114.3	R71 T75	R71-G73 PolarHBondContact O-N 2.78Å; G73-T75 PolarHBondContact O-N 3.16Å; G73-T75 PolarHBondContact O-OG1 3.09Å
74	Q	42.7	Very low	57.7	Low	88 Å²	88	98.4 Å²	98.4	41%	0.411	49%	0.49	S	S	.	.			trans	-76.6	66.9	162.2	-80	-163.9	-2.4	0	0	108.9	R69 F72 S76	R69-Q74 HydrophobicContact CG-CB 4.02Å; R69-Q74 VanDerWaalsContact NE-OE1 3.08Å; F72-Q74 PolarHBondContact O-N 2.92Å; Q74-S76 PolarHBondContact O-N 2.8Å
75	T	36.2	Very low	58.9	Low	120 Å²	120	98.2 Å²	98.2	74%	0.736	49%	0.494	S	S	*	.			trans	-57.3	90.3	135.3	34	0	0	0	0	105.2	G73 N77	G73-T75 PolarHBondContact O-N 3.16Å; G73-T75 PolarHBondContact O-OG1 3.09Å; T75-N77 PolarHBondContact O-N 3.35Å
76	S	39.1	Very low	60.2	Low	69 Å²	69	97 Å²	97	48%	0.483	49%	0.485	S	S	.	.			trans	-46.9	111	147.9	-175.8	0	0	0	0	103.4	Q74 R78	Q74-S76 PolarHBondContact O-N 2.8Å; S76-R78 PolarHBondContact O-N 3.45Å
77	N	35.8	Very low	61.5	Low	104 Å²	104	93.9 Å²	93.9	56%	0.556	46%	0.464	S	S	*	.			trans	-52.6	101.8	159	-103.7	-7	0	0	0	102.9	T75 N79 I80	T75-N77 PolarHBondContact O-N 3.35Å; N77-N79 PolarHBondContact O-N 3.25Å; N77-I80 HydrophobicContact CB-CD1 3.92Å; N77-I80 HydrophobicContact CB-CG1 4.17Å; N77-I80 PolarHBondContact O-N 3.09Å
78	R	44.4	Very low	63	Low	224 Å²	224	89.4 Å²	89.4	85%	0.845	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-2.3	-176.7	-87	178.2	155.1	-177.1	-9.8	111.3	S76	S76-R78 PolarHBondContact O-N 3.45Å
79	N	46.3	Very low	64.4	Low	121 Å²	121	89.7 Å²	89.7	65%	0.647	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-3.4	-174.2	-57.1	-0.5	0	0	0	113.8	N77 H509	N77-N79 PolarHBondContact O-N 3.25Å; N79-H509 PolarHBondContact O-CE1 3.3Å
80	I	60.8	Low	66	Low	90 Å²	90	86.5 Å²	86.5	46%	0.462	44%	0.443	S	S	.	.	S	Bend	trans	-105.3	122	176	-63.2	167.8	0	0	0	109.2	N77 E84 A85	N77-I80 HydrophobicContact CB-CD1 3.92Å; N77-I80 HydrophobicContact CB-CG1 4.17Å; N77-I80 PolarHBondContact O-N 3.09Å; I80-E84 WeakPolarHBondContact CA-OE2 3.16Å; I80-E84 HydrophobicContact CG2-CB 3.69Å; I80-A85 HydrophobicContact CG2-CB 4.23Å
81	G	74.9	Confident	67.8	Low	16 Å²	16	82.2 Å²	82.2	17%	0.165	44%	0.443	C	S	.	.			trans	-68	158.2	179.2	0	0	0	0	0	112.9	M83 E84 A85	G81-M83 VanDerWaalsContact C-N 3.26Å; G81-M83 PolarHBondContact O-N 2.88Å; G81-E84 PolarHBondContact N-OE2 3.34Å; G81-E84 PolarHBondContact O-N 3.44Å; G81-A85 WeakPolarHBondContact O-CB 3.29Å; G81-A85 PolarHBondContact O-N 2.85Å
82	V	82.9	Confident	69.8	Low	71 Å²	71	76 Å²	76	43%	0.43	43%	0.43	S	S	.	.	H	α-helix	trans	-57	-40.4	179.7	174.7	0	0	0	0	111.9	A85 L86 F512	V82-A85 PolarHBondContact O-N 3.45Å; V82-L86 HydrophobicContact CG1-CD1 4.12Å; V82-L86 WeakPolarHBondContact O-CG 3.39Å; V82-L86 PolarHBondContact O-N 3.32Å; V82-F512 HydrophobicContact CB-CD1 3.94Å; V82-F512 HydrophobicContact CB-CE1 4.26Å; V82-F512 HydrophobicContact CG1-CD1 4.23Å; V82-F512 HydrophobicContact CG1-CE1 4.04Å; V82-F512 HydrophobicContact CG2-CD1 4.28Å
83	M	88.1	Confident	72	Confident	5 Å²	5	72.4 Å²	72.4	3%	0.025	41%	0.413	C	S	.	.	H	α-helix	trans	-69.1	-41.9	-179.2	-55.1	143.2	-71.4	0	0	111.8	G81 A85 L86 T87 P402 L403 Y431 F512 L516	G81-M83 VanDerWaalsContact C-N 3.26Å; G81-M83 PolarHBondContact O-N 2.88Å; M83-A85 VanDerWaalsContact C-N 3.35Å; M83-L86 PolarHBondContact O-N 2.77Å; M83-T87 WeakPolarHBondContact O-CB 3.35Å; M83-T87 PolarHBondContact O-N 3.39Å; M83-T87 PolarHBondContact O-OG1 2.96Å; M83-P402 HydrophobicContact CG-CB 3.82Å; M83-P402 HydrophobicContact CG-CG 3.79Å; M83-P402 HydrophobicContact SD-CB 3.49Å; M83-P402 WeakPolarHBondContact SD-CB 3.38Å; M83-P402 HydrophobicContact SD-CG 3.26Å; M83-P402 WeakPolarHBondContact SD-CG 3.18Å; M83-L403 HydrophobicContact CG-CD2 4.44Å; M83-L403 HydrophobicContact CG-CG 4.42Å; M83-Y431 HydrophobicContact CB-CD1 4.06Å; M83-Y431 HydrophobicContact CB-CD2 4.04Å; M83-Y431 HydrophobicContact CB-CE1 4.49Å; M83-Y431 HydrophobicContact CB-CE2 4.46Å; M83-Y431 HydrophobicContact CB-CG 3.82Å; M83-Y431 HydrophobicContact SD-CD2 4.29Å; M83-F512 HydrophobicContact CE-CB 4.04Å; M83-F512 HydrophobicContact CE-CD2 4.48Å; M83-F512 HydrophobicContact CE-CG 4.25Å; M83-F512 HydrophobicContact CG-CD2 4.43Å; M83-F512 HydrophobicContact SD-CD2 4Å; M83-F512 HydrophobicContact SD-CG 4.32Å; M83-L516 HydrophobicContact CE-CD1 3.77Å; M83-L516 HydrophobicContact SD-CD1 4.1Å; M83-L516 HydrophobicContact SD-CD2 4.27Å
84	E	88.3	Confident	74.7	Confident	52 Å²	52	71.2 Å²	71.2	24%	0.243	40%	0.4	C	S	.	.	H	α-helix	trans	-62	-44.5	173.9	-69.2	164	-165.7	0	0	110.5	I80 G81 L86 T87 S88 Y431 H509	I80-E84 WeakPolarHBondContact CA-OE2 3.16Å; I80-E84 HydrophobicContact CG2-CB 3.69Å; G81-E84 PolarHBondContact N-OE2 3.34Å; G81-E84 PolarHBondContact O-N 3.44Å; E84-L86 PolarHBondContact O-N 3.48Å; E84-T87 PolarHBondContact O-N 2.82Å; E84-S88 WeakPolarHBondContact O-CB 3.34Å; E84-S88 PolarHBondContact O-N 2.77Å; E84-S88 PolarHBondContact O-OG 3.43Å; E84-Y431 HydrophobicContact CG-CE1 4.1Å; E84-Y431 VanDerWaalsContact CG-OH 3.23Å; E84-Y431 WeakPolarHBondContact CG-OH 3.05Å; E84-H509 IonicContact OE1-CE1 3.49Å; E84-H509 IonicContact OE1-ND1 3.61Å; E84-H509 PolarHBondContact OE1-ND1 2.87Å
85	A	88.4	Confident	77.3	Confident	39 Å²	39	70.8 Å²	70.8	32%	0.322	40%	0.401	S	S	.	.	H	α-helix	trans	-59.5	-48.1	177.1	0	0	0	0	0	111.4	I80 G81 V82 M83 S88 Q89	I80-A85 HydrophobicContact CG2-CB 4.23Å; G81-A85 WeakPolarHBondContact O-CB 3.29Å; G81-A85 PolarHBondContact O-N 2.85Å; V82-A85 PolarHBondContact O-N 3.45Å; M83-A85 VanDerWaalsContact C-N 3.35Å; A85-S88 PolarHBondContact O-N 2.98Å; A85-S88 PolarHBondContact O-OG 3.49Å; A85-Q89 WeakPolarHBondContact O-CG 3.14Å; A85-Q89 PolarHBondContact O-N 2.75Å
86	L	90.9	Very high	80.2	Confident	25 Å²	25	65.7 Å²	65.7	13%	0.131	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-44.8	176	-70.2	171.9	0	0	0	112	V82 M83 E84 S88 Q89 Y97 L99 L403 M427	V82-L86 HydrophobicContact CG1-CD1 4.12Å; V82-L86 WeakPolarHBondContact O-CG 3.39Å; V82-L86 PolarHBondContact O-N 3.32Å; M83-L86 PolarHBondContact O-N 2.77Å; E84-L86 PolarHBondContact O-N 3.48Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 2.86Å; L86-Q89 WeakPolarHBondContact O-CB 3.31Å; L86-Q89 PolarHBondContact O-N 2.83Å; L86-Q89 VanDerWaalsContact O-N 3.15Å; L86-Y97 WeakPolarHBondContact CA-OH 3.45Å; L86-Y97 WeakPolarHBondContact CB-OH 3.43Å; L86-Y97 WeakPolarHBondContact CD2-OH 3.37Å; L86-Y97 PolarHBondContact O-OH 3.41Å; L86-L99 HydrophobicContact CD2-CD1 3.6Å; L86-L403 HydrophobicContact CD1-CD1 3.52Å; L86-L403 HydrophobicContact CD1-CD2 3.88Å; L86-L403 HydrophobicContact CD1-CG 4.38Å; L86-M427 HydrophobicContact CD1-SD 4.37Å
87	T	93	Very high	83	Confident	33 Å²	33	62.4 Å²	62.4	20%	0.202	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-41.9	178.3	-55.3	0	0	0	0	111.3	M83 E84 Q89 A90 N429 Y431	M83-T87 WeakPolarHBondContact O-CB 3.35Å; M83-T87 PolarHBondContact O-N 3.39Å; M83-T87 PolarHBondContact O-OG1 2.96Å; E84-T87 PolarHBondContact O-N 2.82Å; T87-Q89 PolarHBondContact O-N 2.89Å; T87-A90 VanDerWaalsContact O-CB 3.25Å; T87-A90 WeakPolarHBondContact O-CB 3.43Å; T87-A90 PolarHBondContact O-N 3.28Å; T87-N429 PolarHBondContact OG1-ND2 2.95Å; T87-Y431 WeakPolarHBondContact OG1-CD1 3.39Å
88	S	92.5	Very high	85.8	Confident	59 Å²	59	57.7 Å²	57.7	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-28.4	178.3	74.5	0	0	0	0	113.2	E84 A85 L86 A90 S91	E84-S88 WeakPolarHBondContact O-CB 3.34Å; E84-S88 PolarHBondContact O-N 2.77Å; E84-S88 PolarHBondContact O-OG 3.43Å; A85-S88 PolarHBondContact O-N 2.98Å; A85-S88 PolarHBondContact O-OG 3.49Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 2.86Å; S88-A90 PolarHBondContact O-N 3.47Å; S88-S91 WeakPolarHBondContact O-CB 3.41Å; S88-S91 PolarHBondContact O-N 3.09Å; S88-S91 VanDerWaalsContact O-N 3.16Å; S88-S91 PolarHBondContact O-OG 2.82Å
89	Q	92.5	Very high	88.2	Confident	58 Å²	58	47.8 Å²	47.8	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-64	-25.5	175.9	-63.3	-53.8	-76.2	0	0	112.3	A85 L86 T87 S91 V92 Y93 Y97	A85-Q89 WeakPolarHBondContact O-CG 3.14Å; A85-Q89 PolarHBondContact O-N 2.75Å; L86-Q89 WeakPolarHBondContact O-CB 3.31Å; L86-Q89 PolarHBondContact O-N 2.83Å; L86-Q89 VanDerWaalsContact O-N 3.15Å; T87-Q89 PolarHBondContact O-N 2.89Å; Q89-S91 PolarHBondContact O-N 2.74Å; Q89-V92 PolarHBondContact O-N 3.28Å; Q89-Y93 HydrophobicContact CB-CD2 4.25Å; Q89-Y93 PolarHBondContact O-N 3.23Å; Q89-Y97 HydrophobicContact CB-CD1 4.4Å; Q89-Y97 HydrophobicContact CB-CE1 3.86Å; Q89-Y97 HydrophobicContact CB-CE2 4.02Å; Q89-Y97 HydrophobicContact CG-CE2 4.48Å
90	A	93.7	Very high	90.2	Very high	13 Å²	13	42.5 Å²	42.5	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-27.9	177	0	0	0	0	0	112.4	T87 S88 V92 G94 N110	T87-A90 VanDerWaalsContact O-CB 3.25Å; T87-A90 WeakPolarHBondContact O-CB 3.43Å; T87-A90 PolarHBondContact O-N 3.28Å; S88-A90 PolarHBondContact O-N 3.47Å; A90-V92 PolarHBondContact O-N 3.1Å; A90-G94 WeakPolarHBondContact CA-O 3.35Å; A90-G94 CarbonylContact O-C 3.58Å; A90-G94 WeakPolarHBondContact O-CA 3.38Å; A90-G94 PolarHBondContact O-N 3.46Å; A90-N110 HydrophobicContact CB-CB 4.04Å
91	S	92.3	Very high	91.5	Very high	108 Å²	108	39.2 Å²	39.2	76%	0.755	24%	0.24	S	C	*	.	H	α-helix	trans	-67.7	-23.8	174.2	70.8	0	0	0	0	113.5	S88 Q89	S88-S91 WeakPolarHBondContact O-CB 3.41Å; S88-S91 PolarHBondContact O-N 3.09Å; S88-S91 VanDerWaalsContact O-N 3.16Å; S88-S91 PolarHBondContact O-OG 2.82Å; Q89-S91 PolarHBondContact O-N 2.74Å
92	V	94.4	Very high	92	Very high	97 Å²	97	38.6 Å²	38.6	59%	0.588	23%	0.234	S	C	*	.	H	α-helix	trans	-96.5	-44.1	-177.6	-179.1	0	0	0	0	111.4	Q89 A90	Q89-V92 PolarHBondContact O-N 3.28Å; A90-V92 PolarHBondContact O-N 3.1Å
93	Y	95.3	Very high	92	Very high	71 Å²	71	39.3 Å²	39.3	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-107.3	-6.1	-172	-59.6	-67.5	0	0	0	113.7	P48 P50 Q89	P48-Y93 HydrophobicContact CB-CD1 4.18Å; P48-Y93 WeakPolarHBondContact CG-O 3.44Å; P50-Y93 WeakPolarHBondContact CA-OH 3.46Å; P50-Y93 HydrophobicContact CB-CE2 4.48Å; P50-Y93 HydrophobicContact CG-CE2 4.49Å; Q89-Y93 HydrophobicContact CB-CD2 4.25Å; Q89-Y93 PolarHBondContact O-N 3.23Å
94	G	96.1	Very high	92	Very high	32 Å²	32	42.1 Å²	42.1	33%	0.33	26%	0.255	S	S	.	.			trans	87.9	174.3	-172.4	0	0	0	0	0	113	A90 I96	A90-G94 WeakPolarHBondContact CA-O 3.35Å; A90-G94 CarbonylContact O-C 3.58Å; A90-G94 WeakPolarHBondContact O-CA 3.38Å; A90-G94 PolarHBondContact O-N 3.46Å; G94-I96 PolarHBondContact O-N 3.24Å
95	N	96.8	Very high	92.2	Very high	80 Å²	80	39.8 Å²	39.8	43%	0.428	24%	0.244	S	C	.	.	S	Bend	trans	-65.2	-13.3	-173.4	-72.2	-10.3	0	0	0	114.7	N110 V114	N95-N110 HydrophobicContact CB-CB 4.4Å; N95-N110 PolarHBondContact O-N 3.37Å; N95-N110 PolarHBondContact O-ND2 2.86Å; N95-V114 HydrophobicContact CB-CG2 3.98Å
96	I	98	Very high	92.6	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.062	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	113.5	174.9	-53.3	170.3	0	0	0	107.1	P47 G94 V107 L109 V114 F415 R416 F418	P47-I96 HydrophobicContact CB-CG2 3.87Å; P47-I96 HydrophobicContact CG-CG2 3.66Å; G94-I96 PolarHBondContact O-N 3.24Å; I96-V107 HydrophobicContact CG2-CG1 3.7Å; I96-L109 HydrophobicContact CG1-CD2 4.24Å; I96-L109 HydrophobicContact CG2-CD2 4.03Å; I96-V114 HydrophobicContact CD1-CG1 3.87Å; I96-V114 HydrophobicContact CG1-CG1 3.54Å; I96-V114 HydrophobicContact CG1-CG2 4.39Å; I96-F415 HydrophobicContact CD1-CD1 4.04Å; I96-F415 HydrophobicContact CD1-CE1 3.8Å; I96-R416 HydrophobicContact CD1-CB 3.64Å; I96-R416 HydrophobicContact CD1-CG 4.17Å; I96-F418 HydrophobicContact CB-CD2 4.37Å; I96-F418 HydrophobicContact CB-CE2 4.28Å; I96-F418 HydrophobicContact CD1-CD2 4.45Å; I96-F418 HydrophobicContact CG2-CD2 4.21Å
97	Y	97.3	Very high	92.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.3	179	73.3	-97.2	0	0	0	111.4	P48 L86 Q89 L99 V107 V108 N110	P48-Y97 CarbonylContact O-C 3.4Å; P48-Y97 WeakPolarHBondContact O-CA 3.39Å; P48-Y97 WeakPolarHBondContact O-CB 3.3Å; L86-Y97 WeakPolarHBondContact CA-OH 3.45Å; L86-Y97 WeakPolarHBondContact CB-OH 3.43Å; L86-Y97 WeakPolarHBondContact CD2-OH 3.37Å; L86-Y97 PolarHBondContact O-OH 3.41Å; Q89-Y97 HydrophobicContact CB-CD1 4.4Å; Q89-Y97 HydrophobicContact CB-CE1 3.86Å; Q89-Y97 HydrophobicContact CB-CE2 4.02Å; Q89-Y97 HydrophobicContact CG-CE2 4.48Å; Y97-L99 HydrophobicContact CD2-CD2 4.38Å; Y97-L99 HydrophobicContact CD2-CG 4.2Å; Y97-L99 HydrophobicContact CE2-CD1 3.88Å; Y97-L99 HydrophobicContact CE2-CD2 4Å; Y97-L99 HydrophobicContact CE2-CG 3.73Å; Y97-V107 CarbonylContact O-C 3.3Å; Y97-V107 WeakPolarHBondContact O-CA 3.47Å; Y97-V108 HydrophobicContact CD1-CB 4.29Å; Y97-V108 HydrophobicContact CD2-CB 4.45Å; Y97-V108 HydrophobicContact CD2-CG2 4.45Å; Y97-V108 HydrophobicContact CE1-CB 3.79Å; Y97-V108 HydrophobicContact CE1-CG1 3.97Å; Y97-V108 HydrophobicContact CE1-CG2 4.43Å; Y97-V108 HydrophobicContact CE2-CB 3.95Å; Y97-V108 HydrophobicContact CE2-CG2 3.74Å; Y97-V108 PolarHBondContact N-O 2.81Å; Y97-V108 PolarHBondContact O-N 3.17Å; Y97-N110 VanDerWaalsContact CE1-ND2 3.3Å; Y97-N110 WeakPolarHBondContact CE1-ND2 3.23Å
98	S	95.5	Very high	93.1	Very high	5 Å²	5	36 Å²	36	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.4	-177.5	62.4	0	0	0	0	113.4	P47 P48 G49 P50 I106	P47-S98 WeakPolarHBondContact O-CB 3.46Å; P47-S98 PolarHBondContact O-OG 3.45Å; P48-S98 PolarHBondContact O-N 3.02Å; G49-S98 WeakPolarHBondContact CA-O 3.36Å; P50-S98 WeakPolarHBondContact CD-O 3.31Å; S98-I106 CarbonylContact C-O 3.53Å; S98-I106 VanDerWaalsContact CA-O 3.24Å; S98-I106 WeakPolarHBondContact CA-O 3.16Å
99	L	93.5	Very high	93.4	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.084	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158	170.4	-62.1	174.2	0	0	0	108.9	P50 N58 L86 Y97 I106 V108	P50-L99 HydrophobicContact CG-CD2 3.35Å; N58-L99 HydrophobicContact CB-CD2 4.49Å; N58-L99 WeakPolarHBondContact OD1-CA 3.36Å; L86-L99 HydrophobicContact CD2-CD1 3.6Å; Y97-L99 HydrophobicContact CD2-CD2 4.38Å; Y97-L99 HydrophobicContact CD2-CG 4.2Å; Y97-L99 HydrophobicContact CE2-CD1 3.88Å; Y97-L99 HydrophobicContact CE2-CD2 4Å; Y97-L99 HydrophobicContact CE2-CG 3.73Å; L99-I106 HydrophobicContact CB-CB 4.37Å; L99-I106 PolarHBondContact N-O 3.25Å; L99-I106 PolarHBondContact O-N 2.98Å; L99-I106 VanDerWaalsContact O-O 3.12Å; L99-V108 HydrophobicContact CD1-CG2 3.99Å; L99-V108 HydrophobicContact CG-CG2 4.48Å
100	F	89.6	Confident	93.7	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.044	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.2	174.7	-69.9	-95.5	0	0	0	110.6	Y43 I46 P52 G57 N58 F59 Q104 L105	Y43-F100 HydrophobicContact CD2-CE1 4.18Å; Y43-F100 HydrophobicContact CD2-CZ 4.12Å; Y43-F100 AromaticContact CE2-CE1 3.76Å; Y43-F100 HydrophobicContact CE2-CE1 3.76Å; Y43-F100 HydrophobicContact CE2-CZ 4.18Å; Y43-F100 HydrophobicContact CG-CZ 4.44Å; Y43-F100 AromaticContact CZ-CE1 3.96Å; I46-F100 HydrophobicContact CD1-CE2 4.22Å; I46-F100 HydrophobicContact CD1-CZ 3.98Å; P52-F100 HydrophobicContact CB-CB 3.91Å; P52-F100 HydrophobicContact CB-CD2 3.82Å; P52-F100 HydrophobicContact CB-CG 4.01Å; P52-F100 HydrophobicContact CG-CD2 3.76Å; P52-F100 HydrophobicContact CG-CE2 4.1Å; P52-F100 HydrophobicContact CG-CG 4.26Å; G57-F100 CarbonylContact C-O 3.47Å; G57-F100 WeakPolarHBondContact CA-O 3.2Å; N58-F100 PolarHBondContact N-O 2.73Å; N58-F100 PolarHBondContact OD1-N 3.14Å; F59-F100 WeakPolarHBondContact CD2-O 3.49Å; F100-Q104 WeakPolarHBondContact CA-O 3.33Å; F100-L105 HydrophobicContact CD1-CB 4.46Å; F100-L105 HydrophobicContact CD1-CD1 4.46Å; F100-L105 HydrophobicContact CD2-CD1 4.45Å; F100-L105 HydrophobicContact CE1-CB 4.04Å; F100-L105 HydrophobicContact CE1-CD1 3.88Å; F100-L105 HydrophobicContact CE2-CD1 3.87Å; F100-L105 HydrophobicContact CZ-CD1 3.57Å
101	V	86.9	Confident	93.9	Very high	21 Å²	21	30 Å²	30	13%	0.127	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.9	164.6	175.8	0	0	0	0	106.9	F59 S103 Q104 I106 N254 I255	F59-V101 HydrophobicContact CD2-CB 4.3Å; F59-V101 HydrophobicContact CD2-CG2 3.44Å; F59-V101 VanDerWaalsContact CD2-CG2 3.44Å; F59-V101 HydrophobicContact CE2-CB 4.46Å; F59-V101 HydrophobicContact CE2-CG2 3.23Å; F59-V101 HydrophobicContact CG-CG2 4.35Å; F59-V101 HydrophobicContact CZ-CG2 3.97Å; V101-S103 PolarHBondContact O-N 2.95Å; V101-Q104 PolarHBondContact N-O 3.48Å; V101-Q104 WeakPolarHBondContact O-CB 3.44Å; V101-Q104 PolarHBondContact O-N 3.29Å; V101-I106 HydrophobicContact CB-CD1 4.16Å; V101-I106 HydrophobicContact CG2-CD1 3.44Å; V101-I106 VanDerWaalsContact CG2-CD1 3.44Å; V101-I106 HydrophobicContact CG2-CG1 4.49Å; V101-N254 HydrophobicContact CG1-CB 4.28Å; V101-I255 HydrophobicContact CG1-CD1 4.42Å; V101-I255 HydrophobicContact CG1-CG1 3.9Å
102	G	85.7	Confident	94.1	Very high	4 Å²	4	25.7 Å²	25.7	4%	0.041	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-122.5	-170.5	0	0	0	0	0	111.5	V55 V56	V55-G102 CarbonylContact O-C 3.46Å; V55-G102 WeakPolarHBondContact O-CA 3.29Å; V56-G102 PolarHBondContact O-N 3.11Å
103	S	83.1	Confident	94.2	Very high	85 Å²	85	26.5 Å²	26.5	59%	0.594	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-9.2	172.1	55.6	0	0	0	0	114.3	V101	V101-S103 PolarHBondContact O-N 2.95Å
104	Q	88.8	Confident	94.3	Very high	64 Å²	64	23.5 Å²	23.5	30%	0.299	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.8	-174.6	-175.9	61.8	58.5	0	0	110.7	F100 V101 G423 V425	F100-Q104 WeakPolarHBondContact CA-O 3.33Å; V101-Q104 PolarHBondContact N-O 3.48Å; V101-Q104 WeakPolarHBondContact O-CB 3.44Å; V101-Q104 PolarHBondContact O-N 3.29Å; Q104-G423 PolarHBondContact NE2-O 2.96Å; Q104-V425 HydrophobicContact CG-CG2 3.7Å
105	L	92.9	Very high	94.4	Very high	3 Å²	3	22 Å²	22	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.9	170.8	178.3	62.8	0	0	0	109.8	Y43 I46 F100 P421 T424 V425	Y43-L105 HydrophobicContact CD1-CD2 3.92Å; Y43-L105 HydrophobicContact CE1-CB 4.23Å; Y43-L105 HydrophobicContact CE1-CD2 3.87Å; I46-L105 HydrophobicContact CD1-CD1 4.02Å; I46-L105 HydrophobicContact CD1-CD2 4.48Å; I46-L105 HydrophobicContact CG2-CD2 4.19Å; F100-L105 HydrophobicContact CD1-CB 4.46Å; F100-L105 HydrophobicContact CD1-CD1 4.46Å; F100-L105 HydrophobicContact CD2-CD1 4.45Å; F100-L105 HydrophobicContact CE1-CB 4.04Å; F100-L105 HydrophobicContact CE1-CD1 3.88Å; F100-L105 HydrophobicContact CE2-CD1 3.87Å; F100-L105 HydrophobicContact CZ-CD1 3.57Å; L105-P421 HydrophobicContact CD2-CG 4.32Å; L105-T424 HydrophobicContact CB-CG2 4.38Å; L105-T424 HydrophobicContact CD2-CG2 3.97Å; L105-T424 HydrophobicContact CG-CG2 3.81Å; L105-V425 PolarHBondContact O-N 3.44Å
106	I	95.3	Very high	94.5	Very high	16 Å²	16	20.8 Å²	20.8	8%	0.082	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.5	173.1	-52.1	-174.2	0	0	0	107.8	S98 L99 V101 V108 V425 M427	S98-I106 CarbonylContact C-O 3.53Å; S98-I106 VanDerWaalsContact CA-O 3.24Å; S98-I106 WeakPolarHBondContact CA-O 3.16Å; L99-I106 HydrophobicContact CB-CB 4.37Å; L99-I106 PolarHBondContact N-O 3.25Å; L99-I106 PolarHBondContact O-N 2.98Å; L99-I106 VanDerWaalsContact O-O 3.12Å; V101-I106 HydrophobicContact CB-CD1 4.16Å; V101-I106 HydrophobicContact CG2-CD1 3.44Å; V101-I106 VanDerWaalsContact CG2-CD1 3.44Å; V101-I106 HydrophobicContact CG2-CG1 4.49Å; I106-V108 HydrophobicContact CG2-CG2 4.46Å; I106-V425 CarbonylContact C-O 3.44Å; I106-V425 VanDerWaalsContact CA-O 3.31Å; I106-V425 WeakPolarHBondContact CA-O 3.34Å; I106-V425 HydrophobicContact CB-CB 4.35Å; I106-V425 HydrophobicContact CG1-CB 4.02Å; I106-V425 HydrophobicContact CG1-CG1 4.39Å; I106-V425 HydrophobicContact CG1-CG2 4.44Å; I106-V425 HydrophobicContact CG2-CB 4.31Å; I106-V425 HydrophobicContact CG2-CG1 4.16Å; I106-M427 HydrophobicContact CG2-CB 4.12Å; I106-M427 HydrophobicContact CG2-CE 4.24Å
107	V	97.7	Very high	94.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.9	171.7	171.7	0	0	0	0	108.4	P47 I96 Y97 L109 I420 T424 V425 I426 M427	P47-V107 HydrophobicContact CG-CG1 4.07Å; P47-V107 HydrophobicContact CG-CG2 4.01Å; I96-V107 HydrophobicContact CG2-CG1 3.7Å; Y97-V107 CarbonylContact O-C 3.3Å; Y97-V107 WeakPolarHBondContact O-CA 3.47Å; V107-L109 HydrophobicContact CG1-CD2 3.88Å; V107-I420 HydrophobicContact CG1-CD1 4.37Å; V107-I420 HydrophobicContact CG2-CD1 4.17Å; V107-T424 HydrophobicContact CB-CG2 4.2Å; V107-T424 HydrophobicContact CG2-CG2 3.65Å; V107-V425 PolarHBondContact N-O 3.32Å; V107-I426 HydrophobicContact CB-CD1 3.96Å; V107-I426 HydrophobicContact CG1-CD1 4.48Å; V107-I426 WeakPolarHBondContact O-CA 3.37Å; V107-M427 PolarHBondContact O-N 3.45Å
108	V	98.2	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.6	179.4	-171.6	0	0	0	0	108.9	Y97 L99 I106 M427 N429	Y97-V108 HydrophobicContact CD1-CB 4.29Å; Y97-V108 HydrophobicContact CD2-CB 4.45Å; Y97-V108 HydrophobicContact CD2-CG2 4.45Å; Y97-V108 HydrophobicContact CE1-CB 3.79Å; Y97-V108 HydrophobicContact CE1-CG1 3.97Å; Y97-V108 HydrophobicContact CE1-CG2 4.43Å; Y97-V108 HydrophobicContact CE2-CB 3.95Å; Y97-V108 HydrophobicContact CE2-CG2 3.74Å; Y97-V108 PolarHBondContact N-O 2.81Å; Y97-V108 PolarHBondContact O-N 3.17Å; L99-V108 HydrophobicContact CD1-CG2 3.99Å; L99-V108 HydrophobicContact CG-CG2 4.48Å; I106-V108 HydrophobicContact CG2-CG2 4.46Å; V108-M427 WeakPolarHBondContact CA-O 3.29Å; V108-M427 HydrophobicContact CG2-CB 4.41Å; V108-M427 HydrophobicContact CG2-SD 4.43Å; V108-N429 HydrophobicContact CG1-CB 4.19Å
109	L	98.4	Very high	94.6	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.9	179.6	-53.9	-175.7	0	0	0	109.6	I96 V107 V114 V115 A118 F415 I426 M427 N429	I96-L109 HydrophobicContact CG1-CD2 4.24Å; I96-L109 HydrophobicContact CG2-CD2 4.03Å; V107-L109 HydrophobicContact CG1-CD2 3.88Å; L109-V114 HydrophobicContact CB-CG1 3.94Å; L109-V114 HydrophobicContact CD2-CG1 3.86Å; L109-V114 HydrophobicContact CG-CG1 4.32Å; L109-V115 HydrophobicContact CB-CG2 3.98Å; L109-A118 HydrophobicContact CD1-CB 3.44Å; L109-A118 VanDerWaalsContact CD1-CB 3.44Å; L109-F415 HydrophobicContact CD2-CE1 4.14Å; L109-I426 HydrophobicContact CD1-CG2 3.46Å; L109-I426 VanDerWaalsContact CD1-CG2 3.46Å; L109-I426 HydrophobicContact CG-CG2 3.86Å; L109-M427 PolarHBondContact N-O 2.95Å; L109-N429 VanDerWaalsContact O-CB 3.3Å; L109-N429 WeakPolarHBondContact O-CB 3.47Å; L109-N429 PolarHBondContact O-N 3.4Å
110	N	98.1	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.			trans	-117.8	148.8	-177	-60.1	-89.6	0	0	0	110.7	A90 N95 Y97 V114 N429 S432	A90-N110 HydrophobicContact CB-CB 4.04Å; N95-N110 HydrophobicContact CB-CB 4.4Å; N95-N110 PolarHBondContact O-N 3.37Å; N95-N110 PolarHBondContact O-ND2 2.86Å; Y97-N110 VanDerWaalsContact CE1-ND2 3.3Å; Y97-N110 WeakPolarHBondContact CE1-ND2 3.23Å; N110-V114 WeakPolarHBondContact O-CB 3.47Å; N110-N429 PolarHBondContact OD1-ND2 3.12Å; N110-S432 WeakPolarHBondContact CB-OG 3.28Å
111	G	97.1	Very high	95.1	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	75.9	152.1	-177.6	0	0	0	0	0	114.3	E113 V115 S432	G111-E113 PolarHBondContact O-N 3.47Å; G111-V115 WeakPolarHBondContact O-CG2 3.26Å; G111-V115 PolarHBondContact O-N 3.43Å; G111-S432 PolarHBondContact N-OG 3.37Å; G111-S432 VanDerWaalsContact N-OG 3.14Å
112	Y	97.6	Very high	95.5	Very high	19 Å²	19	29.7 Å²	29.7	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-48	-172.4	176.5	-116.9	0	0	0	112.9	V114 V115 K116 V433 E462 I465	Y112-V114 PolarHBondContact O-N 3.06Å; Y112-V115 PolarHBondContact O-N 3.49Å; Y112-K116 HydrophobicContact CE1-CD 3.76Å; Y112-K116 HydrophobicContact CE2-CB 4.29Å; Y112-K116 HydrophobicContact CE2-CD 4.45Å; Y112-K116 VanDerWaalsContact O-CB 3.29Å; Y112-K116 WeakPolarHBondContact O-CB 3.5Å; Y112-K116 PolarHBondContact O-N 3.1Å; Y112-K116 WeakPolarHBondContact OH-CD 3.48Å; Y112-K116 WeakPolarHBondContact OH-CE 3.48Å; Y112-K116 PolarHBondContact OH-NZ 3.5Å; Y112-K116 VanDerWaalsContact OH-NZ 3.16Å; Y112-V433 HydrophobicContact CD2-CG1 4.05Å; Y112-E462 HydrophobicContact CE1-CB 4.47Å; Y112-E462 WeakPolarHBondContact CE2-O 3.23Å; Y112-E462 VanDerWaalsContact CZ-O 3.29Å; Y112-E462 VanDerWaalsContact OH-CB 3.32Å; Y112-E462 WeakPolarHBondContact OH-CB 3.41Å; Y112-E462 PolarHBondContact OH-O 3.01Å; Y112-E462 VanDerWaalsContact OH-O 3.09Å; Y112-I465 HydrophobicContact CD2-CD1 4.35Å; Y112-I465 HydrophobicContact CE2-CG2 4.25Å
113	E	97.1	Very high	96	Very high	114 Å²	114	30.6 Å²	30.6	53%	0.533	16%	0.164	S	C	.	.	H	α-helix	trans	-60.4	-42.1	-174.5	-69.2	-56.4	133	0	0	113	G111 D117	G111-E113 PolarHBondContact O-N 3.47Å; E113-D117 WeakPolarHBondContact O-CB 3.46Å; E113-D117 PolarHBondContact O-N 2.87Å
114	V	97.7	Very high	96.6	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-69.3	-43.1	179.9	179.9	0	0	0	0	110.7	N95 I96 L109 N110 Y112 A118 F415	N95-V114 HydrophobicContact CB-CG2 3.98Å; I96-V114 HydrophobicContact CD1-CG1 3.87Å; I96-V114 HydrophobicContact CG1-CG1 3.54Å; I96-V114 HydrophobicContact CG1-CG2 4.39Å; L109-V114 HydrophobicContact CB-CG1 3.94Å; L109-V114 HydrophobicContact CD2-CG1 3.86Å; L109-V114 HydrophobicContact CG-CG1 4.32Å; N110-V114 WeakPolarHBondContact O-CB 3.47Å; Y112-V114 PolarHBondContact O-N 3.06Å; V114-A118 PolarHBondContact O-N 2.89Å; V114-A118 VanDerWaalsContact O-N 3.09Å; V114-F415 HydrophobicContact CG1-CE1 4.03Å; V114-F415 HydrophobicContact CG1-CZ 4.34Å
115	V	98.1	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-43.5	178.8	172.1	0	0	0	0	111.1	L109 G111 Y112 A118 L119 P428 L430 V433 I465 I469	L109-V115 HydrophobicContact CB-CG2 3.98Å; G111-V115 WeakPolarHBondContact O-CG2 3.26Å; G111-V115 PolarHBondContact O-N 3.43Å; Y112-V115 PolarHBondContact O-N 3.49Å; V115-A118 PolarHBondContact O-N 2.56Å; V115-L119 HydrophobicContact CG1-CD1 3.85Å; V115-L119 HydrophobicContact CG1-CG 4.36Å; V115-L119 WeakPolarHBondContact O-CB 3.44Å; V115-L119 WeakPolarHBondContact O-CG 3.19Å; V115-L119 PolarHBondContact O-N 3.04Å; V115-P428 HydrophobicContact CG1-CB 4.13Å; V115-P428 HydrophobicContact CG2-CB 4.27Å; V115-L430 HydrophobicContact CG1-CD2 4.42Å; V115-V433 HydrophobicContact CB-CG2 4.13Å; V115-V433 HydrophobicContact CG2-CG2 3.81Å; V115-I465 HydrophobicContact CG1-CD1 4.09Å; V115-I469 HydrophobicContact CG1-CD1 4.27Å
116	K	97.8	Very high	97.2	Very high	55 Å²	55	29 Å²	29	24%	0.239	15%	0.151	C	C	.	.	H	α-helix	trans	-58.4	-48.1	175.3	-173.4	-174.7	-166.5	161.2	0	111.2	Y112 A118 L119 S120 N121 E462 I469	Y112-K116 HydrophobicContact CE1-CD 3.76Å; Y112-K116 HydrophobicContact CE2-CB 4.29Å; Y112-K116 HydrophobicContact CE2-CD 4.45Å; Y112-K116 VanDerWaalsContact O-CB 3.29Å; Y112-K116 WeakPolarHBondContact O-CB 3.5Å; Y112-K116 PolarHBondContact O-N 3.1Å; Y112-K116 WeakPolarHBondContact OH-CD 3.48Å; Y112-K116 WeakPolarHBondContact OH-CE 3.48Å; Y112-K116 PolarHBondContact OH-NZ 3.5Å; Y112-K116 VanDerWaalsContact OH-NZ 3.16Å; K116-A118 PolarHBondContact O-N 3.28Å; K116-L119 PolarHBondContact O-N 2.97Å; K116-S120 WeakPolarHBondContact O-CA 3.31Å; K116-S120 VanDerWaalsContact O-CB 3.24Å; K116-S120 WeakPolarHBondContact O-CB 3.47Å; K116-S120 PolarHBondContact O-N 2.92Å; K116-N121 PolarHBondContact O-N 3.29Å; K116-E462 IonicContact NZ-OE2 3.33Å; K116-E462 PolarHBondContact NZ-OE2 3.12Å; K116-I469 HydrophobicContact CB-CD1 4.26Å
117	D	97.8	Very high	97.3	Very high	23 Å²	23	28.3 Å²	28.3	12%	0.123	15%	0.148	C	C	.	.	I	π-helix	trans	-63.8	-42.7	-177.8	-169.4	24	0	0	0	112.5	E113 N121 H122 F415 R416	E113-D117 WeakPolarHBondContact O-CB 3.46Å; E113-D117 PolarHBondContact O-N 2.87Å; D117-N121 WeakPolarHBondContact O-CB 3.35Å; D117-N121 PolarHBondContact O-N 3.47Å; D117-N121 WeakPolarHBondContact OD1-CB 3.49Å; D117-N121 PolarHBondContact OD1-ND2 3.27Å; D117-H122 PolarHBondContact O-N 3.45Å; D117-H122 VanDerWaalsContact O-N 3.14Å; D117-H122 PolarHBondContact O-ND1 2.95Å; D117-H122 IonicContact OD1-CE1 3.33Å; D117-H122 PolarHBondContact OD1-CE1 3.36Å; D117-H122 IonicContact OD1-ND1 2.83Å; D117-H122 PolarHBondContact OD1-ND1 3.36Å; D117-F415 HydrophobicContact CB-CE2 4.27Å; D117-F415 HydrophobicContact CB-CZ 4.28Å; D117-R416 IonicContact OD2-CZ 2.67Å; D117-R416 IonicContact OD2-NE 3.13Å; D117-R416 PolarHBondContact OD2-NE 3.08Å; D117-R416 IonicContact OD2-NH2 2.72Å; D117-R416 PolarHBondContact OD2-NH2 3.34Å; D117-R416 VanDerWaalsContact OD2-NH2 3.13Å
118	A	98	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-66.7	-52.8	175.2	0	0	0	0	0	112.2	L109 V114 V115 K116 H122 F126 F415	L109-A118 HydrophobicContact CD1-CB 3.44Å; L109-A118 VanDerWaalsContact CD1-CB 3.44Å; V114-A118 PolarHBondContact O-N 2.89Å; V114-A118 VanDerWaalsContact O-N 3.09Å; V115-A118 PolarHBondContact O-N 2.56Å; K116-A118 PolarHBondContact O-N 3.28Å; A118-H122 CarbonylContact O-C 3.52Å; A118-F126 HydrophobicContact CB-CD2 3.86Å; A118-F126 HydrophobicContact CB-CE2 4.21Å; A118-F126 HydrophobicContact CB-CG 4.39Å; A118-F126 WeakPolarHBondContact O-CD2 3.45Å; A118-F415 HydrophobicContact CB-CE1 4.39Å; A118-F415 HydrophobicContact CB-CE2 4.16Å; A118-F415 HydrophobicContact CB-CZ 3.78Å
119	L	97.5	Very high	97.2	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	16%	0.156	C	C	.	.	I	π-helix	trans	-84.4	-26.1	-167.3	-60.3	-173.4	0	0	0	114.2	V115 K116 P428 I469 G470	V115-L119 HydrophobicContact CG1-CD1 3.85Å; V115-L119 HydrophobicContact CG1-CG 4.36Å; V115-L119 WeakPolarHBondContact O-CB 3.44Å; V115-L119 WeakPolarHBondContact O-CG 3.19Å; V115-L119 PolarHBondContact O-N 3.04Å; K116-L119 PolarHBondContact O-N 2.97Å; L119-P428 HydrophobicContact CD1-CB 4.2Å; L119-P428 HydrophobicContact CD1-CG 3.89Å; L119-P428 HydrophobicContact CD2-CG 4.23Å; L119-P428 HydrophobicContact CG-CG 4.43Å; L119-I469 HydrophobicContact CB-CD1 4.24Å; L119-I469 HydrophobicContact CB-CG1 3.87Å; L119-I469 HydrophobicContact CD1-CG1 3.99Å; L119-G470 WeakPolarHBondContact O-CA 3.36Å
120	S	96.1	Very high	97	Very high	48 Å²	48	30.3 Å²	30.3	34%	0.336	16%	0.158	S	C	.	.	I	π-helix	trans	-107.6	-41.5	-177.1	-54.9	0	0	0	0	113.2	K116 P123	K116-S120 WeakPolarHBondContact O-CA 3.31Å; K116-S120 VanDerWaalsContact O-CB 3.24Å; K116-S120 WeakPolarHBondContact O-CB 3.47Å; K116-S120 PolarHBondContact O-N 2.92Å; S120-P123 WeakPolarHBondContact O-CD 3.3Å
121	N	96.8	Very high	96.6	Very high	103 Å²	103	34.4 Å²	34.4	55%	0.551	18%	0.18	S	C	*	.	I	π-helix	trans	-86.4	-27.1	-178.2	-57	-20.3	0	0	0	112.6	K116 D117 P123	K116-N121 PolarHBondContact O-N 3.29Å; D117-N121 WeakPolarHBondContact O-CB 3.35Å; D117-N121 PolarHBondContact O-N 3.47Å; D117-N121 WeakPolarHBondContact OD1-CB 3.49Å; D117-N121 PolarHBondContact OD1-ND2 3.27Å; N121-P123 VanDerWaalsContact O-CD 3.29Å; N121-P123 WeakPolarHBondContact O-CD 3.09Å
122	H	96.9	Very high	96.3	Very high	70 Å²	70	35.5 Å²	35.5	32%	0.324	19%	0.186	S	C	.	.	S	Bend	trans	-119	49.1	178	-60.3	86.1	0	0	0	113.2	D117 A118 D124 V125 F126	D117-H122 PolarHBondContact O-N 3.45Å; D117-H122 VanDerWaalsContact O-N 3.14Å; D117-H122 PolarHBondContact O-ND1 2.95Å; D117-H122 IonicContact OD1-CE1 3.33Å; D117-H122 PolarHBondContact OD1-CE1 3.36Å; D117-H122 IonicContact OD1-ND1 2.83Å; D117-H122 PolarHBondContact OD1-ND1 3.36Å; A118-H122 CarbonylContact O-C 3.52Å; H122-D124 VanDerWaalsContact C-N 3.28Å; H122-D124 PolarHBondContact O-N 3.38Å; H122-V125 PolarHBondContact O-N 3.36Å; H122-F126 HydrophobicContact CB-CD2 3.7Å; H122-F126 HydrophobicContact CB-CE2 3.87Å; H122-F126 PolarHBondContact O-N 2.91Å; H122-F126 VanDerWaalsContact O-N 3.15Å
123	P	95.1	Very high	96	Very high	23 Å²	23	36.3 Å²	36.3	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-71.5	-22.6	-170.3	33.4	-37.8	0	0	0	112.7	S120 N121 V125 S127 R471	S120-P123 WeakPolarHBondContact O-CD 3.3Å; N121-P123 VanDerWaalsContact O-CD 3.29Å; N121-P123 WeakPolarHBondContact O-CD 3.09Å; P123-V125 VanDerWaalsContact C-N 3.3Å; P123-S127 WeakPolarHBondContact O-CB 3.24Å; P123-S127 PolarHBondContact O-N 2.61Å; P123-S127 PolarHBondContact O-OG 3.31Å; P123-R471 HydrophobicContact CB-CG 3.89Å
124	D	95.5	Very high	95.8	Very high	104 Å²	104	31.1 Å²	31.1	56%	0.556	17%	0.17	S	C	*	.	H	α-helix	trans	-67.7	-31.5	174.8	-69	-63.5	0	0	0	112.8	H122 S410 R471	H122-D124 VanDerWaalsContact C-N 3.28Å; H122-D124 PolarHBondContact O-N 3.38Å; D124-S410 PolarHBondContact O-OG 3.47Å; D124-R471 IonicContact OD1-CZ 3.9Å; D124-R471 IonicContact OD1-NH1 3.12Å; D124-R471 PolarHBondContact OD1-NH1 3.26Å; D124-R471 IonicContact OD1-NH2 3.04Å; D124-R471 PolarHBondContact OD1-NH2 3.01Å; D124-R471 IonicContact OD2-CZ 3.75Å; D124-R471 IonicContact OD2-NH2 3.72Å; D124-R471 PolarHBondContact OD2-NH2 2.87Å
125	V	97.2	Very high	95.4	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.067	18%	0.175	C	C	.	.	H	α-helix	trans	-87.6	-45.1	-178	-175.1	0	0	0	0	111.2	H122 P123 A409 S410 E411 T413	H122-V125 PolarHBondContact O-N 3.36Å; P123-V125 VanDerWaalsContact C-N 3.3Å; V125-A409 HydrophobicContact CG1-CB 4.46Å; V125-A409 WeakPolarHBondContact O-CA 3.47Å; V125-S410 WeakPolarHBondContact CA-OG 3.37Å; V125-S410 PolarHBondContact O-N 2.98Å; V125-S410 PolarHBondContact O-OG 3.36Å; V125-E411 HydrophobicContact CG1-CG 4.16Å; V125-E411 HydrophobicContact CG2-CG 4.21Å; V125-T413 HydrophobicContact CG1-CG2 3.78Å
126	F	97.9	Very high	95.1	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.013	18%	0.182	C	C	.	.	H	α-helix	trans	-103.8	10.7	-167.3	-60.4	-58.7	0	0	0	114.9	A118 H122 H407 A409 T413 F415 I420 I426	A118-F126 HydrophobicContact CB-CD2 3.86Å; A118-F126 HydrophobicContact CB-CE2 4.21Å; A118-F126 HydrophobicContact CB-CG 4.39Å; A118-F126 WeakPolarHBondContact O-CD2 3.45Å; H122-F126 HydrophobicContact CB-CD2 3.7Å; H122-F126 HydrophobicContact CB-CE2 3.87Å; H122-F126 PolarHBondContact O-N 2.91Å; H122-F126 VanDerWaalsContact O-N 3.15Å; F126-H407 WeakPolarHBondContact O-CB 3.39Å; F126-H407 PolarHBondContact O-ND1 3.39Å; F126-A409 HydrophobicContact CD1-CB 4.25Å; F126-A409 HydrophobicContact CE1-CB 4.08Å; F126-T413 HydrophobicContact CE1-CG2 4.4Å; F126-T413 HydrophobicContact CZ-CG2 3.88Å; F126-F415 AromaticContact CE2-CD2 3.81Å; F126-F415 HydrophobicContact CE2-CD2 3.81Å; F126-F415 HydrophobicContact CE2-CE2 4.2Å; F126-F415 HydrophobicContact CE2-CG 4.16Å; F126-F415 HydrophobicContact CZ-CB 4.08Å; F126-F415 HydrophobicContact CZ-CD2 4.14Å; F126-F415 HydrophobicContact CZ-CG 4.02Å; F126-I420 HydrophobicContact CE1-CG2 4.26Å; F126-I426 HydrophobicContact CD1-CD1 4.25Å; F126-I426 HydrophobicContact CD1-CG1 3.68Å; F126-I426 HydrophobicContact CE1-CD1 4.04Å; F126-I426 HydrophobicContact CE1-CG1 4Å
127	S	97.1	Very high	94.9	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.021	18%	0.176	C	C	.	.			trans	-88.7	-3.3	178.2	-66.2	0	0	0	0	114.7	P123 R472	P123-S127 WeakPolarHBondContact O-CB 3.24Å; P123-S127 PolarHBondContact O-N 2.61Å; P123-S127 PolarHBondContact O-OG 3.31Å; S127-R472 PolarHBondContact O-NE 3.35Å; S127-R472 PolarHBondContact O-NH2 2.68Å
128	D	97.6	Very high	94.6	Very high	26 Å²	26	32.7 Å²	32.7	14%	0.139	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-79.3	169.8	-177	-152.6	-3.5	0	0	0	112.6	P148 Y149 H407 M408	D128-P148 VanDerWaalsContact OD1-CA 3.24Å; D128-P148 WeakPolarHBondContact OD1-CA 3.44Å; D128-P148 WeakPolarHBondContact OD1-CB 3.3Å; D128-Y149 PolarHBondContact OD1-N 3.06Å; D128-H407 CarbonylContact O-C 2.96Å; D128-H407 WeakPolarHBondContact O-CA 3.43Å; D128-M408 HydrophobicContact CB-CB 4.27Å; D128-M408 HydrophobicContact CB-CE 3.79Å; D128-M408 VanDerWaalsContact CG-CE 3.42Å; D128-M408 PolarHBondContact O-N 2.98Å; D128-M408 WeakPolarHBondContact OD2-CE 3.43Å
129	R	96.8	Very high	94.3	Very high	13 Å²	13	33.5 Å²	33.5	5%	0.049	19%	0.186	C	C	.	.			trans	-114.7	134.7	178.8	-70	-62.5	-172.6	-134.3	-2.1	111.3	V145 F146 A147 I405 P406 H407	R129-V145 PolarHBondContact NE-O 2.87Å; R129-F146 WeakPolarHBondContact CB-O 3.38Å; R129-A147 WeakPolarHBondContact CG-O 3.18Å; R129-I405 PolarHBondContact NH1-O 3.43Å; R129-P406 WeakPolarHBondContact CD-O 3.36Å; R129-P406 PolarHBondContact NH1-O 3.06Å; R129-H407 PolarHBondContact NH1-CD2 3.16Å; R129-H407 VanDerWaalsContact NH1-CD2 3.28Å; R129-H407 PolarHBondContact NH1-CE1 2.89Å; R129-H407 PolarHBondContact NH1-ND1 3.03Å; R129-H407 PolarHBondContact NH1-NE2 3.05Å
130	P	93.9	Very high	94.1	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.039	21%	0.207	C	C	.	.			trans	-74.2	151.5	-175.9	30.9	-35.1	0	0	0	112	V132 P406 M408 V425	P130-V132 VanDerWaalsContact C-N 3.29Å; P130-V132 HydrophobicContact CB-CG2 3.98Å; P130-V132 HydrophobicContact CG-CG2 3.82Å; P130-V132 PolarHBondContact O-N 2.8Å; P130-V132 VanDerWaalsContact O-N 3.08Å; P130-P406 WeakPolarHBondContact CD-O 3.23Å; P130-P406 HydrophobicContact CG-CB 3.95Å; P130-M408 HydrophobicContact CB-CB 4.06Å; P130-M408 HydrophobicContact CB-CG 4.39Å; P130-M408 HydrophobicContact CB-SD 4.49Å; P130-V425 HydrophobicContact CB-CG2 3.67Å; P130-V425 HydrophobicContact CG-CG1 4.35Å; P130-V425 HydrophobicContact CG-CG2 4.16Å
131	D	90.2	Very high	94	Very high	86 Å²	86	39.7 Å²	39.7	46%	0.46	20%	0.204	S	C	.	.			trans	-84	74.4	172.6	-161	-13.5	0	0	0	110.2	S136 R141	D131-S136 WeakPolarHBondContact OD1-CB 3.43Å; D131-S136 PolarHBondContact OD1-OG 3.24Å; D131-R141 IonicContact OD2-CZ 3.38Å; D131-R141 IonicContact OD2-NH1 2.83Å; D131-R141 PolarHBondContact OD2-NH1 3.47Å
132	V	90.3	Very high	93.9	Very high	24 Å²	24	37.9 Å²	37.9	15%	0.145	19%	0.192	C	C	.	.			trans	-87.2	123.8	178.6	173.8	0	0	0	0	108.6	P130 T134 I135 S136 N254	P130-V132 VanDerWaalsContact C-N 3.29Å; P130-V132 HydrophobicContact CB-CG2 3.98Å; P130-V132 HydrophobicContact CG-CG2 3.82Å; P130-V132 PolarHBondContact O-N 2.8Å; P130-V132 VanDerWaalsContact O-N 3.08Å; V132-T134 PolarHBondContact O-N 3.25Å; V132-I135 HydrophobicContact CB-CB 4.2Å; V132-I135 HydrophobicContact CB-CD1 3.91Å; V132-I135 HydrophobicContact CB-CG1 4.31Å; V132-I135 HydrophobicContact CG1-CD1 4.07Å; V132-I135 HydrophobicContact CG1-CG1 4.3Å; V132-I135 HydrophobicContact CG2-CD1 4.36Å; V132-I135 PolarHBondContact O-N 3.32Å; V132-S136 PolarHBondContact O-N 2.69Å; V132-S136 PolarHBondContact O-OG 3.11Å; V132-N254 WeakPolarHBondContact CG1-OD1 3.22Å
133	P	91.9	Very high	93.9	Very high	36 Å²	36	34.6 Å²	34.6	23%	0.234	18%	0.176	C	C	.	.	H	α-helix	trans	-52.3	-47.7	-170.3	-31.1	35.4	0	0	0	115.2	I135 S136 I137 I253 P257	P133-I135 VanDerWaalsContact C-N 3.34Å; P133-I135 PolarHBondContact O-N 2.96Å; P133-S136 PolarHBondContact O-N 2.78Å; P133-I137 WeakPolarHBondContact O-CB 3.49Å; P133-I137 WeakPolarHBondContact O-CD1 3.42Å; P133-I137 WeakPolarHBondContact O-CG1 3.12Å; P133-I137 PolarHBondContact O-N 2.84Å; P133-I253 HydrophobicContact CB-CG2 4.48Å; P133-P257 HydrophobicContact CB-CB 4.15Å; P133-P257 HydrophobicContact CB-CG 3.77Å; P133-P257 HydrophobicContact CG-CG 3.94Å
134	T	90.8	Very high	93.9	Very high	6 Å²	6	34 Å²	34	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-45.2	178.4	-58.6	0	0	0	0	111.5	V132 I137 L138 I253 N254 L270	V132-T134 PolarHBondContact O-N 3.25Å; T134-I137 PolarHBondContact O-N 3.47Å; T134-L138 HydrophobicContact CG2-CD1 3.92Å; T134-L138 VanDerWaalsContact O-CG 3.25Å; T134-L138 WeakPolarHBondContact O-CG 3.44Å; T134-L138 PolarHBondContact O-N 2.85Å; T134-L138 VanDerWaalsContact O-N 3.13Å; T134-I253 VanDerWaalsContact OG1-CB 3.3Å; T134-I253 WeakPolarHBondContact OG1-CB 3.47Å; T134-I253 VanDerWaalsContact OG1-CG2 3.3Å; T134-I253 WeakPolarHBondContact OG1-CG2 3.12Å; T134-N254 WeakPolarHBondContact CB-OD1 3.41Å; T134-N254 PolarHBondContact N-OD1 3.18Å; T134-N254 VanDerWaalsContact N-OD1 3.15Å; T134-N254 PolarHBondContact OG1-OD1 3.42Å; T134-L270 HydrophobicContact CG2-CD2 4.25Å
135	I	89.8	Confident	94	Very high	30 Å²	30	30.8 Å²	30.8	15%	0.154	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-45.9	179.7	-69.3	167.3	0	0	0	110.2	V132 P133 I137 L138 T139 F146	V132-I135 HydrophobicContact CB-CB 4.2Å; V132-I135 HydrophobicContact CB-CD1 3.91Å; V132-I135 HydrophobicContact CB-CG1 4.31Å; V132-I135 HydrophobicContact CG1-CD1 4.07Å; V132-I135 HydrophobicContact CG1-CG1 4.3Å; V132-I135 HydrophobicContact CG2-CD1 4.36Å; V132-I135 PolarHBondContact O-N 3.32Å; P133-I135 VanDerWaalsContact C-N 3.34Å; P133-I135 PolarHBondContact O-N 2.96Å; I135-I137 VanDerWaalsContact C-N 3.32Å; I135-I137 PolarHBondContact O-N 2.86Å; I135-L138 PolarHBondContact O-N 2.79Å; I135-T139 HydrophobicContact CG2-CG2 4.31Å; I135-T139 WeakPolarHBondContact O-CB 3.26Å; I135-T139 WeakPolarHBondContact O-CG2 3.48Å; I135-T139 PolarHBondContact O-N 2.76Å; I135-T139 PolarHBondContact O-OG1 3.34Å; I135-F146 HydrophobicContact CB-CD1 4.49Å; I135-F146 HydrophobicContact CD1-CD1 3.75Å; I135-F146 HydrophobicContact CD1-CE1 3.44Å; I135-F146 VanDerWaalsContact CD1-CE1 3.44Å; I135-F146 HydrophobicContact CD1-CZ 4.14Å; I135-F146 HydrophobicContact CG1-CD1 4.23Å; I135-F146 HydrophobicContact CG1-CE1 4.05Å; I135-F146 HydrophobicContact CG1-CZ 4.38Å; I135-F146 HydrophobicContact CG2-CB 3.56Å; I135-F146 HydrophobicContact CG2-CD1 3.49Å; I135-F146 VanDerWaalsContact CG2-CD1 3.49Å; I135-F146 HydrophobicContact CG2-CD2 4.08Å; I135-F146 HydrophobicContact CG2-CE1 4.16Å; I135-F146 HydrophobicContact CG2-CG 3.43Å; I135-F146 VanDerWaalsContact CG2-CG 3.43Å
136	S	92.6	Very high	93.9	Very high	21 Å²	21	31.6 Å²	31.6	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-34.1	-179.4	-64.5	0	0	0	0	112.6	D131 V132 P133 K140 R141	D131-S136 WeakPolarHBondContact OD1-CB 3.43Å; D131-S136 PolarHBondContact OD1-OG 3.24Å; V132-S136 PolarHBondContact O-N 2.69Å; V132-S136 PolarHBondContact O-OG 3.11Å; P133-S136 PolarHBondContact O-N 2.78Å; S136-K140 VanDerWaalsContact O-CA 3.25Å; S136-K140 WeakPolarHBondContact O-CA 3.46Å; S136-K140 PolarHBondContact O-N 2.84Å; S136-R141 WeakPolarHBondContact OG-CD 3.24Å; S136-R141 WeakPolarHBondContact OG-CG 3.39Å
137	I	92.9	Very high	93.8	Very high	23 Å²	23	31.5 Å²	31.5	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-49.6	173.9	-70.9	164.4	0	0	0	110.5	P133 T134 I135 K140 I253 Y260	P133-I137 WeakPolarHBondContact O-CB 3.49Å; P133-I137 WeakPolarHBondContact O-CD1 3.42Å; P133-I137 WeakPolarHBondContact O-CG1 3.12Å; P133-I137 PolarHBondContact O-N 2.84Å; T134-I137 PolarHBondContact O-N 3.47Å; I135-I137 VanDerWaalsContact C-N 3.32Å; I135-I137 PolarHBondContact O-N 2.86Å; I137-K140 WeakPolarHBondContact O-CE 3.41Å; I137-K140 PolarHBondContact O-NZ 3.36Å; I137-I253 HydrophobicContact CD1-CG2 3.97Å; I137-Y260 HydrophobicContact CD1-CD1 4.43Å; I137-Y260 HydrophobicContact CD1-CD2 4.48Å; I137-Y260 HydrophobicContact CD1-CG 4.04Å; I137-Y260 HydrophobicContact CG2-CD1 3.96Å; I137-Y260 HydrophobicContact CG2-CD2 3.77Å; I137-Y260 HydrophobicContact CG2-CE1 3.75Å; I137-Y260 HydrophobicContact CG2-CE2 3.52Å; I137-Y260 HydrophobicContact CG2-CG 3.98Å
138	L	91.4	Very high	93.8	Very high	44 Å²	44	33.5 Å²	33.5	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-75.2	-36.9	-173.7	-65	174.3	0	0	0	113.6	T134 I135 Y260 L270 E274	T134-L138 HydrophobicContact CG2-CD1 3.92Å; T134-L138 VanDerWaalsContact O-CG 3.25Å; T134-L138 WeakPolarHBondContact O-CG 3.44Å; T134-L138 PolarHBondContact O-N 2.85Å; T134-L138 VanDerWaalsContact O-N 3.13Å; I135-L138 PolarHBondContact O-N 2.79Å; L138-Y260 HydrophobicContact CD2-CE2 4.44Å; L138-L270 HydrophobicContact CD1-CD1 4.28Å; L138-L270 HydrophobicContact CD2-CD1 4.48Å; L138-L270 HydrophobicContact CD2-CG 4.47Å; L138-E274 HydrophobicContact CD2-CB 3.98Å; L138-E274 HydrophobicContact CD2-CG 3.86Å; L138-E274 WeakPolarHBondContact CD2-OE2 3.43Å
139	T	92	Very high	93.7	Very high	17 Å²	17	35.2 Å²	35.2	10%	0.104	18%	0.176	C	C	.	.	H	α-helix	trans	-108.2	-11	-170.2	67.5	0	0	0	0	113.6	I135 R141 K142 F146 Y328	I135-T139 HydrophobicContact CG2-CG2 4.31Å; I135-T139 WeakPolarHBondContact O-CB 3.26Å; I135-T139 WeakPolarHBondContact O-CG2 3.48Å; I135-T139 PolarHBondContact O-N 2.76Å; I135-T139 PolarHBondContact O-OG1 3.34Å; T139-R141 PolarHBondContact O-N 2.76Å; T139-R141 PolarHBondContact OG1-N 2.83Å; T139-K142 PolarHBondContact O-N 2.83Å; T139-F146 HydrophobicContact CG2-CB 4.43Å; T139-F146 HydrophobicContact CG2-CD2 3.94Å; T139-F146 HydrophobicContact CG2-CG 4.5Å; T139-Y328 VanDerWaalsContact O-CD1 3.27Å; T139-Y328 WeakPolarHBondContact O-CD1 3.49Å; T139-Y328 VanDerWaalsContact O-CE1 3.23Å; T139-Y328 WeakPolarHBondContact O-CE1 3.47Å
140	K	93.4	Very high	93.6	Very high	109 Å²	109	35.9 Å²	35.9	47%	0.474	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	22	-168.6	-53.1	-57.3	-177.5	-148.1	0	113.6	S136 I137 K142 Y328	S136-K140 VanDerWaalsContact O-CA 3.25Å; S136-K140 WeakPolarHBondContact O-CA 3.46Å; S136-K140 PolarHBondContact O-N 2.84Å; I137-K140 WeakPolarHBondContact O-CE 3.41Å; I137-K140 PolarHBondContact O-NZ 3.36Å; K140-K142 HydrophobicContact CB-CG 4.5Å; K140-K142 PolarHBondContact O-N 3.25Å; K140-Y328 HydrophobicContact CB-CE2 4.42Å; K140-Y328 HydrophobicContact CG-CE1 4.36Å; K140-Y328 HydrophobicContact CG-CE2 4.48Å; K140-Y328 WeakPolarHBondContact CG-OH 3.3Å
141	R	93.6	Very high	93.7	Very high	75 Å²	75	41.8 Å²	41.8	28%	0.283	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.4	-174.4	-52.6	177.9	64.2	-168.8	-4.7	113	D131 S136 T139 A147 P148	D131-R141 IonicContact OD2-CZ 3.38Å; D131-R141 IonicContact OD2-NH1 2.83Å; D131-R141 PolarHBondContact OD2-NH1 3.47Å; S136-R141 WeakPolarHBondContact OG-CD 3.24Å; S136-R141 WeakPolarHBondContact OG-CG 3.39Å; T139-R141 PolarHBondContact O-N 2.76Å; T139-R141 PolarHBondContact OG1-N 2.83Å; R141-A147 WeakPolarHBondContact O-CA 3.45Å; R141-P148 VanDerWaalsContact O-CD 3.29Å; R141-P148 WeakPolarHBondContact O-CD 3.21Å
142	K	95.4	Very high	94	Very high	66 Å²	66	40.9 Å²	40.9	29%	0.287	22%	0.215	S	C	.	.			trans	-105.7	177.2	173	-65.3	-176.7	-177	-174.7	0	110.1	T139 K140 D324 Y325 Y328	T139-K142 PolarHBondContact O-N 2.83Å; K140-K142 HydrophobicContact CB-CG 4.5Å; K140-K142 PolarHBondContact O-N 3.25Å; K142-D324 VanDerWaalsContact CD-OD2 3.31Å; K142-D324 WeakPolarHBondContact CD-OD2 3.37Å; K142-D324 WeakPolarHBondContact CE-OD2 3.34Å; K142-D324 IonicContact NZ-OD2 3.38Å; K142-D324 PolarHBondContact NZ-OD2 3.05Å; K142-Y325 HydrophobicContact CB-CD2 3.92Å; K142-Y325 HydrophobicContact CB-CE2 3.84Å; K142-Y325 HydrophobicContact CB-CG 4.44Å; K142-Y325 HydrophobicContact CD-CD2 3.92Å; K142-Y325 HydrophobicContact CD-CE2 4.44Å; K142-Y325 HydrophobicContact CG-CD2 3.84Å; K142-Y325 HydrophobicContact CG-CE2 3.86Å; K142-Y328 HydrophobicContact CB-CD2 3.44Å; K142-Y328 VanDerWaalsContact CB-CD2 3.44Å; K142-Y328 HydrophobicContact CB-CE2 4.09Å; K142-Y328 HydrophobicContact CB-CG 3.77Å; K142-Y328 HydrophobicContact CD-CD2 3.89Å; K142-Y328 HydrophobicContact CD-CE2 3.88Å; K142-Y328 HydrophobicContact CG-CD2 4.24Å; K142-Y328 HydrophobicContact CG-CE2 4.48Å
143	G	95.7	Very high	94.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	87.5	-151.2	-174.9	0	0	0	0	0	113.4	A147 Y325	G143-A147 WeakPolarHBondContact O-CB 3.11Å; G143-Y325 WeakPolarHBondContact O-CE1 3.49Å; G143-Y325 PolarHBondContact O-OH 3.43Å
144	I	96.9	Very high	94.5	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.056	22%	0.224	C	C	.	.	S	Bend	trans	-114.2	-36.4	-175.1	-56.8	-58.2	0	0	0	111.9	W153 Q156 R157 I329 D332	I144-W153 PolarHBondContact O-NE1 2.96Å; I144-Q156 HydrophobicContact CD1-CB 3.81Å; I144-R157 HydrophobicContact CD1-CB 4.25Å; I144-I329 HydrophobicContact CD1-CG1 4.32Å; I144-I329 HydrophobicContact CG1-CG1 4.21Å; I144-D332 PolarHBondContact N-OD2 3.14Å
145	V	95.8	Very high	94.8	Very high	37 Å²	37	50.7 Å²	50.7	22%	0.224	25%	0.248	C	C	.	.	S	Bend	trans	-77.6	-52.6	-169	177.6	0	0	0	0	111	R129 D332 I405	R129-V145 PolarHBondContact NE-O 2.87Å; V145-D332 HydrophobicContact CG2-CB 3.93Å; V145-D332 PolarHBondContact N-OD2 3.47Å; V145-I405 HydrophobicContact CG1-CG1 4.31Å; V145-I405 HydrophobicContact CG1-CG2 4.19Å
146	F	95.3	Very high	95.2	Very high	28 Å²	28	49.2 Å²	49.2	12%	0.123	24%	0.24	C	C	.	.	S	Bend	trans	-105.1	-1.4	-174.5	-66.1	-71.9	0	0	0	114.4	R129 I135 T139 I405 L514	R129-F146 WeakPolarHBondContact CB-O 3.38Å; I135-F146 HydrophobicContact CB-CD1 4.49Å; I135-F146 HydrophobicContact CD1-CD1 3.75Å; I135-F146 HydrophobicContact CD1-CE1 3.44Å; I135-F146 VanDerWaalsContact CD1-CE1 3.44Å; I135-F146 HydrophobicContact CD1-CZ 4.14Å; I135-F146 HydrophobicContact CG1-CD1 4.23Å; I135-F146 HydrophobicContact CG1-CE1 4.05Å; I135-F146 HydrophobicContact CG1-CZ 4.38Å; I135-F146 HydrophobicContact CG2-CB 3.56Å; I135-F146 HydrophobicContact CG2-CD1 3.49Å; I135-F146 VanDerWaalsContact CG2-CD1 3.49Å; I135-F146 HydrophobicContact CG2-CD2 4.08Å; I135-F146 HydrophobicContact CG2-CE1 4.16Å; I135-F146 HydrophobicContact CG2-CG 3.43Å; I135-F146 VanDerWaalsContact CG2-CG 3.43Å; T139-F146 HydrophobicContact CG2-CB 4.43Å; T139-F146 HydrophobicContact CG2-CD2 3.94Å; T139-F146 HydrophobicContact CG2-CG 4.5Å; F146-I405 HydrophobicContact CD1-CG2 4.11Å; F146-I405 HydrophobicContact CE1-CG2 3.64Å; F146-I405 HydrophobicContact CZ-CG2 4.25Å; F146-L514 HydrophobicContact CZ-CD2 4.38Å
147	A	96.5	Very high	95.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-66.1	139.4	176.4	0	0	0	0	0	112.3	R129 R141 G143 R472	R129-A147 WeakPolarHBondContact CG-O 3.18Å; R141-A147 WeakPolarHBondContact O-CA 3.45Å; G143-A147 WeakPolarHBondContact O-CB 3.11Å; A147-R472 PolarHBondContact O-NH1 2.83Å; A147-R472 PolarHBondContact O-NH2 2.76Å
148	P	96.3	Very high	95.6	Very high	46 Å²	46	56.9 Å²	56.9	30%	0.299	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-61.1	152.9	-179.8	26.7	-34.2	0	0	0	111.4	D128 R141 G150 W153	D128-P148 VanDerWaalsContact OD1-CA 3.24Å; D128-P148 WeakPolarHBondContact OD1-CA 3.44Å; D128-P148 WeakPolarHBondContact OD1-CB 3.3Å; R141-P148 VanDerWaalsContact O-CD 3.29Å; R141-P148 WeakPolarHBondContact O-CD 3.21Å; P148-G150 PolarHBondContact O-N 3.36Å; P148-W153 VanDerWaalsContact O-CB 3.29Å; P148-W153 WeakPolarHBondContact O-CB 3.49Å
149	Y	96.2	Very high	95.9	Very high	61 Å²	61	56.2 Å²	56.2	24%	0.239	26%	0.264	C	S	.	.	S	Bend	trans	-70	129.7	177.8	-168.8	-100.2	0	0	0	109.6	D128 W153 R154 R471 R472	D128-Y149 PolarHBondContact OD1-N 3.06Å; Y149-W153 AromaticContact CD2-CE3 3.77Å; Y149-W153 HydrophobicContact CD2-CE3 3.77Å; Y149-W153 AromaticContact CD2-CZ3 3.78Å; Y149-W153 HydrophobicContact CD2-CZ3 3.78Å; Y149-W153 AromaticContact CE2-CE3 3.85Å; Y149-W153 HydrophobicContact CE2-CE3 3.85Å; Y149-W153 HydrophobicContact CE2-CH2 4.44Å; Y149-W153 AromaticContact CE2-CZ3 3.51Å; Y149-W153 HydrophobicContact CE2-CZ3 3.51Å; Y149-R154 HydrophobicContact CE2-CG 4.45Å; Y149-R471 HydrophobicContact CE2-CB 4.32Å; Y149-R471 WeakPolarHBondContact OH-CD 3.43Å; Y149-R471 PolarHBondContact OH-NH1 2.83Å; Y149-R472 VanDerWaalsContact CB-NH2 3.26Å
150	G	95.3	Very high	96.2	Very high	27 Å²	27	55.4 Å²	55.4	28%	0.278	26%	0.259	S	S	.	.	S	Bend	trans	173.4	-175.4	-180	0	0	0	0	0	112.4	P148 V152 W153 R154	P148-G150 PolarHBondContact O-N 3.36Å; G150-V152 VanDerWaalsContact C-N 3.34Å; G150-V152 PolarHBondContact O-N 2.83Å; G150-W153 PolarHBondContact O-N 2.77Å; G150-R154 VanDerWaalsContact O-CG 3.31Å; G150-R154 WeakPolarHBondContact O-CG 3.36Å; G150-R154 PolarHBondContact O-N 3.03Å
151	L	95.6	Very high	96.3	Very high	130 Å²	130	53 Å²	53	68%	0.681	25%	0.25	S	C	*	.	H	α-helix	trans	-59.5	-43.8	-179.3	-67.7	174.3	0	0	0	112.1	R154 K155	L151-R154 PolarHBondContact O-N 3.22Å; L151-K155 WeakPolarHBondContact O-CG 3.42Å; L151-K155 PolarHBondContact O-N 2.9Å
152	V	95.9	Very high	96.4	Very high	67 Å²	67	51.6 Å²	51.6	41%	0.406	25%	0.254	S	S	.	.	H	α-helix	trans	-57.8	-55	177.8	173.4	0	0	0	0	110.7	G150 R154 K155 Q156 Y325	G150-V152 VanDerWaalsContact C-N 3.34Å; G150-V152 PolarHBondContact O-N 2.83Å; V152-R154 VanDerWaalsContact C-N 3.31Å; V152-R154 PolarHBondContact O-N 2.91Å; V152-K155 PolarHBondContact O-N 2.71Å; V152-Q156 HydrophobicContact CG1-CG 4.16Å; V152-Q156 WeakPolarHBondContact O-CB 3.42Å; V152-Q156 VanDerWaalsContact O-CG 3.22Å; V152-Q156 WeakPolarHBondContact O-CG 3.35Å; V152-Q156 PolarHBondContact O-N 3Å; V152-Y325 HydrophobicContact CG1-CE2 3.96Å
153	W	97	Very high	96.4	Very high	11 Å²	11	48.7 Å²	48.7	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-40.4	179.6	175.2	80.8	0	0	0	112.6	I144 P148 Y149 G150 Q156 R157 R471 R472	I144-W153 PolarHBondContact O-NE1 2.96Å; P148-W153 VanDerWaalsContact O-CB 3.29Å; P148-W153 WeakPolarHBondContact O-CB 3.49Å; Y149-W153 AromaticContact CD2-CE3 3.77Å; Y149-W153 HydrophobicContact CD2-CE3 3.77Å; Y149-W153 AromaticContact CD2-CZ3 3.78Å; Y149-W153 HydrophobicContact CD2-CZ3 3.78Å; Y149-W153 AromaticContact CE2-CE3 3.85Å; Y149-W153 HydrophobicContact CE2-CE3 3.85Å; Y149-W153 HydrophobicContact CE2-CH2 4.44Å; Y149-W153 AromaticContact CE2-CZ3 3.51Å; Y149-W153 HydrophobicContact CE2-CZ3 3.51Å; G150-W153 PolarHBondContact O-N 2.77Å; W153-Q156 PolarHBondContact O-N 3.25Å; W153-R157 HydrophobicContact CZ2-CB 4.37Å; W153-R157 HydrophobicContact CZ2-CG 4.36Å; W153-R157 VanDerWaalsContact O-CB 3.23Å; W153-R157 WeakPolarHBondContact O-CB 3.41Å; W153-R157 PolarHBondContact O-N 3.38Å; W153-R471 WeakPolarHBondContact CH2-O 3.19Å; W153-R472 VanDerWaalsContact CD2-NH1 3.26Å; W153-R472 VanDerWaalsContact CZ2-CD 3.47Å; W153-R472 VanDerWaalsContact CZ2-NH1 3.27Å
154	R	97	Very high	96.3	Very high	139 Å²	139	48.8 Å²	48.8	53%	0.525	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-44.3	177.3	-72.2	175.1	67.2	-167.9	0	111.8	Y149 G150 L151 V152 K158	Y149-R154 HydrophobicContact CE2-CG 4.45Å; G150-R154 VanDerWaalsContact O-CG 3.31Å; G150-R154 WeakPolarHBondContact O-CG 3.36Å; G150-R154 PolarHBondContact O-N 3.03Å; L151-R154 PolarHBondContact O-N 3.22Å; V152-R154 VanDerWaalsContact C-N 3.31Å; V152-R154 PolarHBondContact O-N 2.91Å; R154-K158 WeakPolarHBondContact O-CB 3.31Å; R154-K158 PolarHBondContact O-N 3.39Å
155	K	96.6	Very high	96.1	Very high	122 Å²	122	52.3 Å²	52.3	53%	0.53	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-52	175.7	-76.2	-175.8	175.9	-170.2	0	110.4	L151 V152 R157 K158 F159	L151-K155 WeakPolarHBondContact O-CG 3.42Å; L151-K155 PolarHBondContact O-N 2.9Å; V152-K155 PolarHBondContact O-N 2.71Å; K155-R157 PolarHBondContact O-N 2.95Å; K155-K158 PolarHBondContact O-N 3.24Å; K155-F159 WeakPolarHBondContact O-CB 3.4Å; K155-F159 PolarHBondContact O-N 2.65Å
156	Q	97.6	Very high	95.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-48.1	-177.8	-67.9	-67.9	5.7	0	0	112.5	I144 V152 W153 K158 F159 C160 Y304 S320 Y325 I329	I144-Q156 HydrophobicContact CD1-CB 3.81Å; V152-Q156 HydrophobicContact CG1-CG 4.16Å; V152-Q156 WeakPolarHBondContact O-CB 3.42Å; V152-Q156 VanDerWaalsContact O-CG 3.22Å; V152-Q156 WeakPolarHBondContact O-CG 3.35Å; V152-Q156 PolarHBondContact O-N 3Å; W153-Q156 PolarHBondContact O-N 3.25Å; Q156-K158 PolarHBondContact O-N 3.21Å; Q156-F159 PolarHBondContact O-N 3.49Å; Q156-C160 WeakPolarHBondContact O-CB 3.29Å; Q156-C160 PolarHBondContact O-N 3.28Å; Q156-C160 PolarHBondContact O-SG 2.97Å; Q156-Y304 PolarHBondContact NE2-OH 3.06Å; Q156-Y304 VanDerWaalsContact OE1-CE2 3.23Å; Q156-S320 PolarHBondContact NE2-O 2.82Å; Q156-Y325 HydrophobicContact CB-CE1 4.09Å; Q156-Y325 HydrophobicContact CG-CD1 4.07Å; Q156-Y325 HydrophobicContact CG-CE1 3.53Å; Q156-I329 HydrophobicContact CB-CD1 4.46Å
157	R	97.7	Very high	95.4	Very high	41 Å²	41	57.1 Å²	57.1	16%	0.155	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-44.1	175.9	178.8	176	174.6	101.5	-0.8	112.2	I144 W153 K155 H161 V473 M475	I144-R157 HydrophobicContact CD1-CB 4.25Å; W153-R157 HydrophobicContact CZ2-CB 4.37Å; W153-R157 HydrophobicContact CZ2-CG 4.36Å; W153-R157 VanDerWaalsContact O-CB 3.23Å; W153-R157 WeakPolarHBondContact O-CB 3.41Å; W153-R157 PolarHBondContact O-N 3.38Å; K155-R157 PolarHBondContact O-N 2.95Å; R157-H161 VanDerWaalsContact O-CB 3.23Å; R157-H161 WeakPolarHBondContact O-CB 3.47Å; R157-H161 PolarHBondContact O-N 3.16Å; R157-V473 PolarHBondContact NH1-O 3.08Å; R157-V473 PolarHBondContact NH2-O 3.14Å; R157-M475 HydrophobicContact CG-SD 4.06Å
158	K	97.4	Very high	94.8	Very high	163 Å²	163	57.1 Å²	57.1	71%	0.709	28%	0.278	S	S	*	.	H	α-helix	trans	-61.5	-46.4	179.7	-177.2	-176.8	177.2	-171.8	0	110.5	R154 K155 Q156 A162	R154-K158 WeakPolarHBondContact O-CB 3.31Å; R154-K158 PolarHBondContact O-N 3.39Å; K155-K158 PolarHBondContact O-N 3.24Å; Q156-K158 PolarHBondContact O-N 3.21Å; K158-A162 VanDerWaalsContact O-CB 3.26Å; K158-A162 WeakPolarHBondContact O-CB 3.14Å; K158-A162 PolarHBondContact O-N 3.23Å
159	F	97.6	Very high	94.3	Very high	30 Å²	30	55.1 Å²	55.1	13%	0.132	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-57.3	176.7	-179.7	-91.4	0	0	0	111	K155 Q156 H161 A162 T163 L300 M303 Y304 E307 F321	K155-F159 WeakPolarHBondContact O-CB 3.4Å; K155-F159 PolarHBondContact O-N 2.65Å; Q156-F159 PolarHBondContact O-N 3.49Å; F159-H161 VanDerWaalsContact C-N 3.33Å; F159-H161 PolarHBondContact O-N 3.26Å; F159-A162 PolarHBondContact O-N 3.32Å; F159-A162 VanDerWaalsContact O-N 3.14Å; F159-T163 WeakPolarHBondContact O-CB 3.11Å; F159-T163 PolarHBondContact O-N 2.7Å; F159-T163 PolarHBondContact O-OG1 2.83Å; F159-T163 VanDerWaalsContact O-OG1 3.06Å; F159-L300 HydrophobicContact CE1-CD1 4.25Å; F159-M303 HydrophobicContact CZ-CB 4.28Å; F159-M303 WeakPolarHBondContact CZ-O 3.3Å; F159-Y304 AromaticContact CD1-CD2 4Å; F159-Y304 HydrophobicContact CD1-CD2 4Å; F159-Y304 AromaticContact CE1-CD2 3.76Å; F159-Y304 HydrophobicContact CE1-CD2 3.76Å; F159-Y304 HydrophobicContact CE1-CG 4.25Å; F159-E307 HydrophobicContact CD2-CG 4.21Å; F159-E307 HydrophobicContact CE2-CB 3.72Å; F159-E307 HydrophobicContact CE2-CG 3.73Å; F159-E307 HydrophobicContact CZ-CB 3.85Å; F159-E307 HydrophobicContact CZ-CG 4.29Å; F159-F321 HydrophobicContact CB-CE1 4.15Å; F159-F321 HydrophobicContact CB-CZ 4.02Å; F159-F321 AromaticContact CD1-CE1 3.92Å; F159-F321 HydrophobicContact CD1-CE1 3.92Å; F159-F321 AromaticContact CD2-CE1 3.94Å; F159-F321 HydrophobicContact CD2-CE1 3.94Å; F159-F321 HydrophobicContact CD2-CZ 4.12Å; F159-F321 HydrophobicContact CE1-CE1 4.33Å; F159-F321 HydrophobicContact CE2-CE1 4.33Å; F159-F321 AromaticContact CG-CE1 3.72Å; F159-F321 HydrophobicContact CG-CE1 3.72Å; F159-F321 HydrophobicContact CG-CZ 4.01Å
160	C	97.4	Very high	93.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-45.9	-177.8	-63.3	0	0	0	0	112.2	Q156 T163 L164 L300 I329 M475	Q156-C160 WeakPolarHBondContact O-CB 3.29Å; Q156-C160 PolarHBondContact O-N 3.28Å; Q156-C160 PolarHBondContact O-SG 2.97Å; C160-T163 PolarHBondContact O-N 3.38Å; C160-L164 WeakPolarHBondContact O-CB 3.19Å; C160-L164 WeakPolarHBondContact O-CD1 3.5Å; C160-L164 WeakPolarHBondContact O-CG 3.47Å; C160-L164 PolarHBondContact O-N 3.08Å; C160-L300 HydrophobicContact CB-CD1 4.37Å; C160-I329 VanDerWaalsContact SG-CG2 3.56Å; C160-M475 HydrophobicContact CB-CE 4.13Å; C160-M475 HydrophobicContact CB-SD 4.24Å
161	H	95.6	Very high	92.8	Very high	59 Å²	59	57.9 Å²	57.9	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-65.7	-40.1	179.5	-176.7	-100.1	0	0	0	112.4	R157 F159 R165 M475	R157-H161 VanDerWaalsContact O-CB 3.23Å; R157-H161 WeakPolarHBondContact O-CB 3.47Å; R157-H161 PolarHBondContact O-N 3.16Å; F159-H161 VanDerWaalsContact C-N 3.33Å; F159-H161 PolarHBondContact O-N 3.26Å; H161-R165 VanDerWaalsContact CE1-CD 3.44Å; H161-R165 WeakPolarHBondContact CE1-CD 3.16Å; H161-R165 WeakPolarHBondContact O-CB 3.45Å; H161-R165 VanDerWaalsContact O-CG 3.28Å; H161-R165 WeakPolarHBondContact O-CG 3.49Å; H161-R165 PolarHBondContact O-N 3.21Å; H161-R165 VanDerWaalsContact O-N 3.11Å; H161-M475 HydrophobicContact CB-CG 3.97Å; H161-M475 HydrophobicContact CB-SD 3.91Å
162	A	95.6	Very high	92.3	Very high	45 Å²	45	56.5 Å²	56.5	37%	0.372	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-46	176.3	0	0	0	0	0	111.3	K158 F159 R165 N166	K158-A162 VanDerWaalsContact O-CB 3.26Å; K158-A162 WeakPolarHBondContact O-CB 3.14Å; K158-A162 PolarHBondContact O-N 3.23Å; F159-A162 PolarHBondContact O-N 3.32Å; F159-A162 VanDerWaalsContact O-N 3.14Å; A162-R165 WeakPolarHBondContact O-CB 3.4Å; A162-R165 PolarHBondContact O-N 3.32Å; A162-N166 PolarHBondContact O-N 3.25Å; A162-N166 VanDerWaalsContact O-N 3.1Å
163	T	95	Very high	91.9	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-47.1	179.3	-58.3	0	0	0	0	112	F159 C160 R165 N166 F167 L300 M303	F159-T163 WeakPolarHBondContact O-CB 3.11Å; F159-T163 PolarHBondContact O-N 2.7Å; F159-T163 PolarHBondContact O-OG1 2.83Å; F159-T163 VanDerWaalsContact O-OG1 3.06Å; C160-T163 PolarHBondContact O-N 3.38Å; T163-R165 VanDerWaalsContact C-N 3.27Å; T163-R165 PolarHBondContact O-N 2.82Å; T163-N166 WeakPolarHBondContact O-CA 3.44Å; T163-N166 WeakPolarHBondContact O-CB 3.38Å; T163-N166 PolarHBondContact O-N 3.18Å; T163-F167 HydrophobicContact CG2-CD2 3.83Å; T163-F167 HydrophobicContact CG2-CE2 3.58Å; T163-F167 VanDerWaalsContact O-CD2 3.3Å; T163-F167 WeakPolarHBondContact O-CD2 3.43Å; T163-F167 PolarHBondContact O-N 3.27Å; T163-F167 VanDerWaalsContact O-N 3.1Å; T163-L300 HydrophobicContact CG2-CB 4.44Å; T163-L300 HydrophobicContact CG2-CD1 3.57Å; T163-M303 HydrophobicContact CG2-CB 3.68Å; T163-M303 HydrophobicContact CG2-CG 3.74Å
164	L	94.1	Very high	91.5	Very high	2 Å²	2	57 Å²	57	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-37.8	176.5	-70.4	167.9	0	0	0	111.9	C160 N166 F167 G168 L169 L218 I219 L300 L333 M475	C160-L164 WeakPolarHBondContact O-CB 3.19Å; C160-L164 WeakPolarHBondContact O-CD1 3.5Å; C160-L164 WeakPolarHBondContact O-CG 3.47Å; C160-L164 PolarHBondContact O-N 3.08Å; L164-N166 VanDerWaalsContact C-N 3.28Å; L164-N166 PolarHBondContact O-N 2.54Å; L164-F167 CarbonylContact O-C 3.35Å; L164-F167 PolarHBondContact O-N 2.93Å; L164-G168 PolarHBondContact O-N 2.72Å; L164-G168 VanDerWaalsContact O-N 3.16Å; L164-L169 VanDerWaalsContact C-CB 3.44Å; L164-L169 HydrophobicContact CB-CB 3.91Å; L164-L169 HydrophobicContact CB-CD1 3.65Å; L164-L169 HydrophobicContact CB-CG 4.4Å; L164-L169 HydrophobicContact CD1-CD1 4Å; L164-L169 HydrophobicContact CG-CD1 4.39Å; L164-L169 WeakPolarHBondContact O-CB 3.48Å; L164-L169 PolarHBondContact O-N 2.9Å; L164-L218 HydrophobicContact CD2-CB 3.84Å; L164-L218 HydrophobicContact CD2-CD1 4.37Å; L164-I219 HydrophobicContact CD2-CG2 3.95Å; L164-L300 HydrophobicContact CD2-CD2 4.47Å; L164-L333 HydrophobicContact CD1-CD1 4.22Å; L164-M475 HydrophobicContact CD1-CE 3.45Å; L164-M475 VanDerWaalsContact CD1-CE 3.45Å
165	R	91.8	Very high	91.3	Very high	84 Å²	84	51.3 Å²	51.3	32%	0.317	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-33	173.7	-77	177.8	73	84.1	0.5	112.6	H161 A162 T163 G168 L169 R171 Q478	H161-R165 VanDerWaalsContact CE1-CD 3.44Å; H161-R165 WeakPolarHBondContact CE1-CD 3.16Å; H161-R165 WeakPolarHBondContact O-CB 3.45Å; H161-R165 VanDerWaalsContact O-CG 3.28Å; H161-R165 WeakPolarHBondContact O-CG 3.49Å; H161-R165 PolarHBondContact O-N 3.21Å; H161-R165 VanDerWaalsContact O-N 3.11Å; A162-R165 WeakPolarHBondContact O-CB 3.4Å; A162-R165 PolarHBondContact O-N 3.32Å; T163-R165 VanDerWaalsContact C-N 3.27Å; T163-R165 PolarHBondContact O-N 2.82Å; R165-G168 PolarHBondContact O-N 2.66Å; R165-L169 HydrophobicContact CG-CD2 4.08Å; R165-R171 PolarHBondContact O-NE 3.29Å; R165-R171 VanDerWaalsContact O-NE 3.12Å; R165-R171 PolarHBondContact O-NH2 3.42Å; R165-Q478 VanDerWaalsContact NH1-OE1 3.12Å
166	N	90.3	Very high	91.1	Very high	109 Å²	109	49.2 Å²	49.2	58%	0.583	26%	0.255	S	S	*	.	H	α-helix	trans	-68	-40.4	175.4	-67.8	-15.3	0	0	0	111.4	A162 T163 L164 G168	A162-N166 PolarHBondContact O-N 3.25Å; A162-N166 VanDerWaalsContact O-N 3.1Å; T163-N166 WeakPolarHBondContact O-CA 3.44Å; T163-N166 WeakPolarHBondContact O-CB 3.38Å; T163-N166 PolarHBondContact O-N 3.18Å; L164-N166 VanDerWaalsContact C-N 3.28Å; L164-N166 PolarHBondContact O-N 2.54Å; N166-G168 PolarHBondContact O-N 2.72Å
167	F	87.9	Confident	90.9	Very high	57 Å²	57	50.1 Å²	50.1	25%	0.25	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.6	174.8	-69.1	-68.4	0	0	0	114.7	T163 L164 L218 R298 D299 M303	T163-F167 HydrophobicContact CG2-CD2 3.83Å; T163-F167 HydrophobicContact CG2-CE2 3.58Å; T163-F167 VanDerWaalsContact O-CD2 3.3Å; T163-F167 WeakPolarHBondContact O-CD2 3.43Å; T163-F167 PolarHBondContact O-N 3.27Å; T163-F167 VanDerWaalsContact O-N 3.1Å; L164-F167 CarbonylContact O-C 3.35Å; L164-F167 PolarHBondContact O-N 2.93Å; F167-L218 HydrophobicContact CB-CD2 3.6Å; F167-L218 WeakPolarHBondContact O-CD2 3.25Å; F167-R298 VanDerWaalsContact CE1-O 3.28Å; F167-R298 WeakPolarHBondContact CE1-O 3.46Å; F167-D299 WeakPolarHBondContact CE2-O 3.4Å; F167-D299 VanDerWaalsContact CZ-CA 3.41Å; F167-D299 WeakPolarHBondContact CZ-O 3.14Å; F167-M303 HydrophobicContact CE2-CG 3.66Å; F167-M303 HydrophobicContact CZ-CG 3.83Å
168	G	82.5	Confident	90.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	110.9	7.1	169.3	0	0	0	0	0	115.9	L164 R165 N166 G170 R171 S173 L174	L164-G168 PolarHBondContact O-N 2.72Å; L164-G168 VanDerWaalsContact O-N 3.16Å; R165-G168 PolarHBondContact O-N 2.66Å; N166-G168 PolarHBondContact O-N 2.72Å; G168-G170 PolarHBondContact O-N 3.07Å; G168-R171 WeakPolarHBondContact O-CB 3.48Å; G168-R171 PolarHBondContact O-N 3.12Å; G168-S173 WeakPolarHBondContact CA-OG 3.48Å; G168-L174 WeakPolarHBondContact O-CD1 3.23Å; G168-L174 WeakPolarHBondContact O-CG 3.14Å
169	L	85.3	Confident	90.7	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	118.1	171.4	-177.4	151.4	0	0	0	109.8	L164 R165 Q478 L479	L164-L169 VanDerWaalsContact C-CB 3.44Å; L164-L169 HydrophobicContact CB-CB 3.91Å; L164-L169 HydrophobicContact CB-CD1 3.65Å; L164-L169 HydrophobicContact CB-CG 4.4Å; L164-L169 HydrophobicContact CD1-CD1 4Å; L164-L169 HydrophobicContact CG-CD1 4.39Å; L164-L169 WeakPolarHBondContact O-CB 3.48Å; L164-L169 PolarHBondContact O-N 2.9Å; R165-L169 HydrophobicContact CG-CD2 4.08Å; L169-Q478 HydrophobicContact CD2-CB 4.26Å; L169-L479 HydrophobicContact CD1-CB 4.42Å; L169-L479 HydrophobicContact CG-CB 4.17Å
170	G	76.1	Confident	90.5	Very high	31 Å²	31	46.9 Å²	46.9	32%	0.32	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	5.3	-177.4	0	0	0	0	0	115.2	G168 M482	G168-G170 PolarHBondContact O-N 3.07Å; G170-M482 WeakPolarHBondContact CA-SD 3.4Å; G170-M482 PolarHBondContact N-SD 2.85Å
171	R	84.6	Confident	90.5	Very high	116 Å²	116	47.2 Å²	47.2	44%	0.438	25%	0.253	S	S	.	.	S	Bend	trans	-121.5	156.2	-172.7	-55.9	-173	-179.2	178.9	3.6	112.6	R165 G168 S173 L174 M482	R165-R171 PolarHBondContact O-NE 3.29Å; R165-R171 VanDerWaalsContact O-NE 3.12Å; R165-R171 PolarHBondContact O-NH2 3.42Å; G168-R171 WeakPolarHBondContact O-CB 3.48Å; G168-R171 PolarHBondContact O-N 3.12Å; R171-S173 PolarHBondContact O-N 3.28Å; R171-S173 VanDerWaalsContact O-N 3.11Å; R171-L174 PolarHBondContact O-N 3.1Å; R171-M482 WeakPolarHBondContact O-CE 3.5Å
172	L	84.9	Confident	90.5	Very high	100 Å²	100	45.1 Å²	45.1	52%	0.524	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-58.4	-23	177.7	-64.9	173.1	0	0	0	113.8	L174 E175 L378 T379	L172-L174 PolarHBondContact O-N 2.97Å; L172-E175 VanDerWaalsContact O-CB 3.24Å; L172-E175 WeakPolarHBondContact O-CB 3.34Å; L172-E175 PolarHBondContact O-N 3.36Å; L172-E175 VanDerWaalsContact O-N 3.07Å; L172-L378 HydrophobicContact CD2-CB 3.78Å; L172-L378 HydrophobicContact CD2-CD1 4.23Å; L172-T379 HydrophobicContact CD1-CG2 4.4Å; L172-T379 HydrophobicContact CD2-CG2 4.17Å
173	S	87.5	Confident	90.5	Very high	81 Å²	81	45.3 Å²	45.3	57%	0.566	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-62.9	-22	179.1	57.9	0	0	0	0	114	G168 R171	G168-S173 WeakPolarHBondContact CA-OG 3.48Å; R171-S173 PolarHBondContact O-N 3.28Å; R171-S173 VanDerWaalsContact O-N 3.11Å
174	L	90.1	Very high	90.5	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.047	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-86.7	-15.7	175.2	-83.7	-179.5	0	0	0	114.2	G168 R171 L172 P176 C177 I178 L218 L479 M482	G168-L174 WeakPolarHBondContact O-CD1 3.23Å; G168-L174 WeakPolarHBondContact O-CG 3.14Å; R171-L174 PolarHBondContact O-N 3.1Å; L172-L174 PolarHBondContact O-N 2.97Å; L174-P176 VanDerWaalsContact C-CD 3.47Å; L174-C177 WeakPolarHBondContact O-CB 3.25Å; L174-C177 PolarHBondContact O-N 3.3Å; L174-I178 PolarHBondContact O-N 3.16Å; L174-L218 HydrophobicContact CD1-CD1 3.82Å; L174-L218 HydrophobicContact CD1-CD2 4.02Å; L174-L218 HydrophobicContact CD1-CG 4.27Å; L174-L218 HydrophobicContact CD2-CD2 3.81Å; L174-L218 HydrophobicContact CD2-CG 4.13Å; L174-L218 HydrophobicContact CG-CD2 4.32Å; L174-L479 HydrophobicContact CD1-CD1 3.66Å; L174-M482 HydrophobicContact CB-CE 4.12Å
175	E	92.6	Very high	90.7	Very high	19 Å²	19	47.6 Å²	47.6	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-55.1	-43	-177	-178.3	174.7	140.5	0	0	113.1	L172 C177 I178 Q179 S377 L378 L486	L172-E175 VanDerWaalsContact O-CB 3.24Å; L172-E175 WeakPolarHBondContact O-CB 3.34Å; L172-E175 PolarHBondContact O-N 3.36Å; L172-E175 VanDerWaalsContact O-N 3.07Å; E175-C177 VanDerWaalsContact C-N 3.28Å; E175-C177 PolarHBondContact O-N 2.89Å; E175-I178 PolarHBondContact O-N 3.09Å; E175-Q179 HydrophobicContact CG-CG 4.13Å; E175-Q179 WeakPolarHBondContact O-CB 3.34Å; E175-Q179 WeakPolarHBondContact O-CG 3.47Å; E175-Q179 PolarHBondContact O-N 3.27Å; E175-Q179 PolarHBondContact OE1-NE2 3.02Å; E175-S377 WeakPolarHBondContact OE1-CA 3.41Å; E175-S377 WeakPolarHBondContact OE1-CB 3.33Å; E175-S377 PolarHBondContact OE1-OG 2.85Å; E175-S377 PolarHBondContact OE2-OG 2.74Å; E175-L378 HydrophobicContact CB-CD1 4.47Å; E175-L378 PolarHBondContact OE2-N 3.1Å; E175-L486 HydrophobicContact CB-CD1 4.28Å; E175-L486 HydrophobicContact CG-CD1 3.86Å; E175-L486 HydrophobicContact CG-CD2 4.23Å
176	P	92.6	Very high	90.8	Very high	78 Å²	78	47.4 Å²	47.4	51%	0.506	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-35.4	177.1	-24.5	35.4	0	0	0	113.5	L174 Q180	L174-P176 VanDerWaalsContact C-CD 3.47Å; P176-Q180 WeakPolarHBondContact O-CB 3.27Å; P176-Q180 PolarHBondContact O-N 3.44Å
177	C	92.8	Very high	91.1	Very high	19 Å²	19	46.7 Å²	46.7	13%	0.128	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-47.3	178	-176.6	0	0	0	0	110.8	L174 E175 Q180 G181	L174-C177 WeakPolarHBondContact O-CB 3.25Å; L174-C177 PolarHBondContact O-N 3.3Å; E175-C177 VanDerWaalsContact C-N 3.28Å; E175-C177 PolarHBondContact O-N 2.89Å; C177-Q180 PolarHBondContact O-N 3.06Å; C177-G181 PolarHBondContact O-N 3.4Å; C177-G181 VanDerWaalsContact O-N 3.15Å
178	I	95.6	Very high	91.4	Very high	4 Å²	4	45 Å²	45	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-49.4	178.5	-59.8	167.6	0	0	0	109.9	L174 E175 Q180 G181 V182 V214 M482 E483 L486	L174-I178 PolarHBondContact O-N 3.16Å; E175-I178 PolarHBondContact O-N 3.09Å; I178-Q180 VanDerWaalsContact C-N 3.3Å; I178-Q180 PolarHBondContact O-N 3.18Å; I178-G181 CarbonylContact O-C 3.59Å; I178-G181 WeakPolarHBondContact O-CA 3.08Å; I178-G181 PolarHBondContact O-N 3.25Å; I178-V182 HydrophobicContact CG2-CG2 4.36Å; I178-V182 WeakPolarHBondContact O-CG2 3.18Å; I178-V182 PolarHBondContact O-N 2.91Å; I178-V214 HydrophobicContact CG1-CG1 4.05Å; I178-V214 HydrophobicContact CG1-CG2 3.75Å; I178-M482 HydrophobicContact CD1-CB 4.38Å; I178-E483 HydrophobicContact CD1-CG 3.84Å; I178-E483 HydrophobicContact CG1-CG 4.21Å; I178-L486 HydrophobicContact CB-CD1 4.03Å; I178-L486 HydrophobicContact CD1-CD1 3.77Å; I178-L486 HydrophobicContact CG1-CD1 4.5Å; I178-L486 HydrophobicContact CG2-CB 3.73Å; I178-L486 HydrophobicContact CG2-CD1 3.96Å
179	Q	95	Very high	92	Very high	48 Å²	48	45.1 Å²	45.1	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-38.1	179.3	-75.8	173.7	-15.2	0	0	112.5	E175 G181 V182 A183 P376	E175-Q179 HydrophobicContact CG-CG 4.13Å; E175-Q179 WeakPolarHBondContact O-CB 3.34Å; E175-Q179 WeakPolarHBondContact O-CG 3.47Å; E175-Q179 PolarHBondContact O-N 3.27Å; E175-Q179 PolarHBondContact OE1-NE2 3.02Å; Q179-G181 VanDerWaalsContact C-N 3.34Å; Q179-V182 PolarHBondContact O-N 3.47Å; Q179-A183 WeakPolarHBondContact O-CB 3.3Å; Q179-A183 PolarHBondContact O-N 3.48Å; Q179-P376 PolarHBondContact NE2-O 3.21Å
180	Q	94.4	Very high	92.5	Very high	114 Å²	114	47.3 Å²	47.3	53%	0.533	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-38.8	174.1	-172.9	176.3	1.2	0	0	111.9	P176 C177 I178 A183 A184	P176-Q180 WeakPolarHBondContact O-CB 3.27Å; P176-Q180 PolarHBondContact O-N 3.44Å; C177-Q180 PolarHBondContact O-N 3.06Å; I178-Q180 VanDerWaalsContact C-N 3.3Å; I178-Q180 PolarHBondContact O-N 3.18Å; Q180-A183 PolarHBondContact O-N 2.95Å; Q180-A184 PolarHBondContact O-N 3.44Å
181	G	95.4	Very high	93.4	Very high	6 Å²	6	51 Å²	51	6%	0.062	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-47.6	171.4	0	0	0	0	0	111.9	C177 I178 Q179 A183 A184 V185	C177-G181 PolarHBondContact O-N 3.4Å; C177-G181 VanDerWaalsContact O-N 3.15Å; I178-G181 CarbonylContact O-C 3.59Å; I178-G181 WeakPolarHBondContact O-CA 3.08Å; I178-G181 PolarHBondContact O-N 3.25Å; Q179-G181 VanDerWaalsContact C-N 3.34Å; G181-A183 PolarHBondContact O-N 3.34Å; G181-A184 PolarHBondContact O-N 3.15Å; G181-V185 WeakPolarHBondContact O-CG2 3.45Å; G181-V185 PolarHBondContact O-N 3.24Å
182	V	96.8	Very high	93.8	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.097	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-44.3	177.2	176.3	0	0	0	0	111.7	I178 Q179 A184 V185 K186 T487 L491	I178-V182 HydrophobicContact CG2-CG2 4.36Å; I178-V182 WeakPolarHBondContact O-CG2 3.18Å; I178-V182 PolarHBondContact O-N 2.91Å; Q179-V182 PolarHBondContact O-N 3.47Å; V182-A184 VanDerWaalsContact C-N 3.34Å; V182-A184 PolarHBondContact O-N 2.93Å; V182-V185 PolarHBondContact O-N 3.27Å; V182-K186 WeakPolarHBondContact O-CB 3.06Å; V182-K186 PolarHBondContact O-N 3.14Å; V182-T487 HydrophobicContact CG2-CG2 4.25Å; V182-L491 HydrophobicContact CG1-CD2 4.24Å; V182-L491 HydrophobicContact CG1-CG 4.26Å
183	A	95.4	Very high	94.1	Very high	49 Å²	49	43.4 Å²	43.4	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-40.9	177.5	0	0	0	0	0	112.1	Q179 Q180 G181 T187	Q179-A183 WeakPolarHBondContact O-CB 3.3Å; Q179-A183 PolarHBondContact O-N 3.48Å; Q180-A183 PolarHBondContact O-N 2.95Å; G181-A183 PolarHBondContact O-N 3.34Å; A183-T187 WeakPolarHBondContact O-CB 3.48Å; A183-T187 PolarHBondContact O-N 3.3Å; A183-T187 PolarHBondContact O-OG1 2.86Å
184	A	95.4	Very high	94.3	Very high	51 Å²	51	42.6 Å²	42.6	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-64.7	-45.9	175.5	0	0	0	0	0	111.5	Q180 G181 V182 T187 E188	Q180-A184 PolarHBondContact O-N 3.44Å; G181-A184 PolarHBondContact O-N 3.15Å; V182-A184 VanDerWaalsContact C-N 3.34Å; V182-A184 PolarHBondContact O-N 2.93Å; A184-T187 PolarHBondContact O-N 3.16Å; A184-E188 WeakPolarHBondContact O-CB 3.46Å; A184-E188 PolarHBondContact O-N 3.17Å
185	V	96.9	Very high	94.4	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-48.6	176.8	173	0	0	0	0	111.1	G181 V182 T187 E188 L189 L206 I207 A210 L491	G181-V185 WeakPolarHBondContact O-CG2 3.45Å; G181-V185 PolarHBondContact O-N 3.24Å; V182-V185 PolarHBondContact O-N 3.27Å; V185-T187 VanDerWaalsContact C-N 3.35Å; V185-T187 PolarHBondContact O-N 3.14Å; V185-E188 PolarHBondContact O-N 3.18Å; V185-L189 HydrophobicContact CG1-CD1 3.58Å; V185-L189 HydrophobicContact CG1-CG 4.02Å; V185-L189 VanDerWaalsContact O-CB 3.29Å; V185-L189 WeakPolarHBondContact O-CB 3.49Å; V185-L189 VanDerWaalsContact O-CG 3.28Å; V185-L189 WeakPolarHBondContact O-CG 3.34Å; V185-L189 PolarHBondContact O-N 3.09Å; V185-L206 HydrophobicContact CG1-CB 4.34Å; V185-L206 HydrophobicContact CG2-CB 4.19Å; V185-I207 HydrophobicContact CG1-CD1 3.75Å; V185-I207 HydrophobicContact CG2-CD1 4.41Å; V185-A210 HydrophobicContact CG2-CB 3.56Å; V185-L491 HydrophobicContact CB-CD2 4.47Å; V185-L491 HydrophobicContact CG1-CD2 3.98Å
186	K	95.4	Very high	94.1	Very high	81 Å²	81	54 Å²	54	35%	0.352	30%	0.296	S	S	.	.	H	α-helix	trans	-53.2	-53.2	176.7	171.9	-170.4	170	174.3	0	111	V182 E188 L189 L190 L491 A494	V182-K186 WeakPolarHBondContact O-CB 3.06Å; V182-K186 PolarHBondContact O-N 3.14Å; K186-E188 VanDerWaalsContact C-N 3.34Å; K186-E188 PolarHBondContact O-N 2.95Å; K186-L189 PolarHBondContact O-N 3.04Å; K186-L190 HydrophobicContact CG-CD1 4.1Å; K186-L190 WeakPolarHBondContact O-CG 3.33Å; K186-L190 PolarHBondContact O-N 2.65Å; K186-L190 VanDerWaalsContact O-N 3.1Å; K186-L491 HydrophobicContact CB-CD2 4.4Å; K186-A494 HydrophobicContact CD-CB 3.55Å; K186-A494 HydrophobicContact CG-CB 4.22Å
187	T	95.4	Very high	93.7	Very high	93 Å²	93	52 Å²	52	57%	0.571	29%	0.29	S	S	*	.	H	α-helix	trans	-59.6	-47.3	-176.1	-56.9	0	0	0	0	110.7	A183 A184 V185 R191	A183-T187 WeakPolarHBondContact O-CB 3.48Å; A183-T187 PolarHBondContact O-N 3.3Å; A183-T187 PolarHBondContact O-OG1 2.86Å; A184-T187 PolarHBondContact O-N 3.16Å; V185-T187 VanDerWaalsContact C-N 3.35Å; V185-T187 PolarHBondContact O-N 3.14Å; T187-R191 WeakPolarHBondContact O-CB 3.31Å; T187-R191 PolarHBondContact O-N 3.26Å
188	E	95.6	Very high	93.2	Very high	23 Å²	23	54.6 Å²	54.6	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-74.5	-35.4	-175.9	-171.9	55.3	-160.4	0	0	112.8	A184 V185 K186 R191 L192 L206	A184-E188 WeakPolarHBondContact O-CB 3.46Å; A184-E188 PolarHBondContact O-N 3.17Å; V185-E188 PolarHBondContact O-N 3.18Å; K186-E188 VanDerWaalsContact C-N 3.34Å; K186-E188 PolarHBondContact O-N 2.95Å; E188-R191 VanDerWaalsContact CD-NE 3.32Å; E188-R191 PolarHBondContact O-N 2.89Å; E188-R191 IonicContact OE1-CZ 3.16Å; E188-R191 IonicContact OE1-NE 3.55Å; E188-R191 PolarHBondContact OE1-NE 2.98Å; E188-R191 VanDerWaalsContact OE1-NE 3.16Å; E188-R191 IonicContact OE1-NH2 3.93Å; E188-R191 PolarHBondContact OE1-NH2 3Å; E188-R191 IonicContact OE2-CZ 3.32Å; E188-R191 IonicContact OE2-NE 3.85Å; E188-R191 PolarHBondContact OE2-NE 3.14Å; E188-R191 IonicContact OE2-NH2 2.69Å; E188-L192 HydrophobicContact CG-CD1 4.01Å; E188-L192 HydrophobicContact CG-CG 4.4Å; E188-L192 WeakPolarHBondContact O-CB 3.29Å; E188-L192 VanDerWaalsContact O-CG 3.27Å; E188-L192 WeakPolarHBondContact O-CG 3.35Å; E188-L192 PolarHBondContact O-N 3.15Å; E188-L192 WeakPolarHBondContact OE1-CG 3.37Å; E188-L206 HydrophobicContact CB-CD1 3.98Å; E188-L206 HydrophobicContact CB-CD2 4.11Å; E188-L206 HydrophobicContact CG-CD1 3.77Å; E188-L206 HydrophobicContact CG-CD2 3.55Å; E188-L206 HydrophobicContact CG-CG 4.31Å
189	L	95.2	Very high	92.7	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-45.7	173.2	-78.3	177.8	0	0	0	111.9	V185 K186 R191 N193 V201 P203 L206 F497 V525	V185-L189 HydrophobicContact CG1-CD1 3.58Å; V185-L189 HydrophobicContact CG1-CG 4.02Å; V185-L189 VanDerWaalsContact O-CB 3.29Å; V185-L189 WeakPolarHBondContact O-CB 3.49Å; V185-L189 VanDerWaalsContact O-CG 3.28Å; V185-L189 WeakPolarHBondContact O-CG 3.34Å; V185-L189 PolarHBondContact O-N 3.09Å; K186-L189 PolarHBondContact O-N 3.04Å; L189-R191 VanDerWaalsContact C-N 3.35Å; L189-N193 WeakPolarHBondContact O-CB 3.49Å; L189-N193 PolarHBondContact O-N 3.05Å; L189-V201 HydrophobicContact CD2-CB 4.37Å; L189-V201 HydrophobicContact CD2-CG1 3.95Å; L189-P203 HydrophobicContact CD2-CB 4.15Å; L189-L206 HydrophobicContact CD2-CD1 3.74Å; L189-L206 HydrophobicContact CG-CD1 3.87Å; L189-F497 HydrophobicContact CD1-CE1 4.17Å; L189-V525 HydrophobicContact CB-CG2 4.44Å
190	L	94.8	Very high	92.5	Very high	50 Å²	50	56.9 Å²	56.9	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-40.5	177.9	-71.2	171.3	0	0	0	111.4	K186 N193 G194 V525 A527	K186-L190 HydrophobicContact CG-CD1 4.1Å; K186-L190 WeakPolarHBondContact O-CG 3.33Å; K186-L190 PolarHBondContact O-N 2.65Å; K186-L190 VanDerWaalsContact O-N 3.1Å; L190-N193 PolarHBondContact O-N 2.92Å; L190-G194 PolarHBondContact O-N 2.98Å; L190-V525 HydrophobicContact CD2-CG1 4Å; L190-A527 HydrophobicContact CD1-CB 4.23Å; L190-A527 HydrophobicContact CD2-CB 4.07Å
191	R	94.9	Very high	92.5	Very high	107 Å²	107	51.6 Å²	51.6	40%	0.404	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-53.4	175.7	-166.7	-168.3	74.5	71.2	6.8	111.4	T187 E188 L189 N193 G194 E195	T187-R191 WeakPolarHBondContact O-CB 3.31Å; T187-R191 PolarHBondContact O-N 3.26Å; E188-R191 VanDerWaalsContact CD-NE 3.32Å; E188-R191 PolarHBondContact O-N 2.89Å; E188-R191 IonicContact OE1-CZ 3.16Å; E188-R191 IonicContact OE1-NE 3.55Å; E188-R191 PolarHBondContact OE1-NE 2.98Å; E188-R191 VanDerWaalsContact OE1-NE 3.16Å; E188-R191 IonicContact OE1-NH2 3.93Å; E188-R191 PolarHBondContact OE1-NH2 3Å; E188-R191 IonicContact OE2-CZ 3.32Å; E188-R191 IonicContact OE2-NE 3.85Å; E188-R191 PolarHBondContact OE2-NE 3.14Å; E188-R191 IonicContact OE2-NH2 2.69Å; L189-R191 VanDerWaalsContact C-N 3.35Å; R191-N193 VanDerWaalsContact C-N 3.31Å; R191-N193 PolarHBondContact O-N 2.85Å; R191-G194 PolarHBondContact O-N 2.91Å; R191-G194 VanDerWaalsContact O-N 3.16Å; R191-E195 IonicContact CZ-OE1 3.44Å; R191-E195 VanDerWaalsContact NH1-CD 3.3Å; R191-E195 IonicContact NH1-OE1 3.3Å; R191-E195 PolarHBondContact NH1-OE1 3.25Å; R191-E195 IonicContact NH1-OE2 2.63Å; R191-E195 IonicContact NH2-OE2 3.75Å; R191-E195 PolarHBondContact O-N 3.12Å
192	L	93.4	Very high	92.4	Very high	30 Å²	30	54.5 Å²	54.5	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-34.9	179.8	-70.9	171.3	0	0	0	112.5	E188 G194 E195 R196 V201 L206	E188-L192 HydrophobicContact CG-CD1 4.01Å; E188-L192 HydrophobicContact CG-CG 4.4Å; E188-L192 WeakPolarHBondContact O-CB 3.29Å; E188-L192 VanDerWaalsContact O-CG 3.27Å; E188-L192 WeakPolarHBondContact O-CG 3.35Å; E188-L192 PolarHBondContact O-N 3.15Å; E188-L192 WeakPolarHBondContact OE1-CG 3.37Å; L192-G194 VanDerWaalsContact C-N 3.34Å; L192-E195 PolarHBondContact O-N 3.32Å; L192-R196 WeakPolarHBondContact O-CB 3.47Å; L192-R196 WeakPolarHBondContact O-CG 3.23Å; L192-R196 PolarHBondContact O-N 3.39Å; L192-V201 HydrophobicContact CB-CB 4.42Å; L192-V201 HydrophobicContact CB-CG1 3.82Å; L192-V201 HydrophobicContact CB-CG2 3.65Å; L192-V201 HydrophobicContact CD1-CG1 3.79Å; L192-V201 HydrophobicContact CG-CG1 4.47Å; L192-L206 HydrophobicContact CD1-CD1 4.09Å
193	N	91.9	Very high	92.4	Very high	28 Å²	28	53.8 Å²	53.8	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-36.4	175.6	-170.6	86.9	0	0	0	111	L189 L190 R191 E195 R196 G197 V201 C524 V525	L189-N193 WeakPolarHBondContact O-CB 3.49Å; L189-N193 PolarHBondContact O-N 3.05Å; L190-N193 PolarHBondContact O-N 2.92Å; R191-N193 VanDerWaalsContact C-N 3.31Å; R191-N193 PolarHBondContact O-N 2.85Å; N193-E195 VanDerWaalsContact C-N 3.28Å; N193-E195 PolarHBondContact O-N 3.38Å; N193-R196 PolarHBondContact O-N 3.07Å; N193-G197 WeakPolarHBondContact O-CA 3.47Å; N193-G197 PolarHBondContact O-N 2.85Å; N193-V201 HydrophobicContact CB-CG2 3.96Å; N193-C524 WeakPolarHBondContact OD1-CA 3.37Å; N193-V525 HydrophobicContact CB-CB 4.31Å; N193-V525 VanDerWaalsContact CG-O 3.31Å; N193-V525 PolarHBondContact ND2-O 2.91Å; N193-V525 PolarHBondContact OD1-N 3.42Å
194	G	90.9	Very high	92.4	Very high	64 Å²	64	53 Å²	53	66%	0.66	31%	0.31	S	S	*	.	H	α-helix	trans	-60.7	-34.7	171.6	0	0	0	0	0	113.3	L190 R191 L192	L190-G194 PolarHBondContact O-N 2.98Å; R191-G194 PolarHBondContact O-N 2.91Å; R191-G194 VanDerWaalsContact O-N 3.16Å; L192-G194 VanDerWaalsContact C-N 3.34Å
195	E	91	Very high	92.3	Very high	128 Å²	128	57.8 Å²	57.8	60%	0.598	32%	0.317	S	S	*	.	H	α-helix	trans	-77.1	-37.8	176.8	-66.5	178.8	162.1	0	0	113.3	R191 L192 N193	R191-E195 IonicContact CZ-OE1 3.44Å; R191-E195 VanDerWaalsContact NH1-CD 3.3Å; R191-E195 IonicContact NH1-OE1 3.3Å; R191-E195 PolarHBondContact NH1-OE1 3.25Å; R191-E195 IonicContact NH1-OE2 2.63Å; R191-E195 IonicContact NH2-OE2 3.75Å; R191-E195 PolarHBondContact O-N 3.12Å; L192-E195 PolarHBondContact O-N 3.32Å; N193-E195 VanDerWaalsContact C-N 3.28Å; N193-E195 PolarHBondContact O-N 3.38Å
196	R	86.6	Confident	92.2	Very high	140 Å²	140	58.3 Å²	58.3	53%	0.528	32%	0.32	S	S	.	.	H	α-helix	trans	-95.7	-17.2	-173.3	-67.4	-171.4	176.3	-164	-0.2	114.4	L192 N193 A198 C199 G200	L192-R196 WeakPolarHBondContact O-CB 3.47Å; L192-R196 WeakPolarHBondContact O-CG 3.23Å; L192-R196 PolarHBondContact O-N 3.39Å; N193-R196 PolarHBondContact O-N 3.07Å; R196-A198 PolarHBondContact O-N 3.02Å; R196-C199 HydrophobicContact CB-CB 4.46Å; R196-C199 PolarHBondContact O-N 3.2Å; R196-G200 VanDerWaalsContact CD-O 3.23Å; R196-G200 WeakPolarHBondContact CD-O 3.4Å
197	G	85.2	Confident	92.3	Very high	36 Å²	36	54.5 Å²	54.5	37%	0.371	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	53	-128.6	-177.6	0	0	0	0	0	112.5	N193 C199 G200	N193-G197 WeakPolarHBondContact O-CA 3.47Å; N193-G197 PolarHBondContact O-N 2.85Å; G197-C199 PolarHBondContact O-N 2.91Å; G197-C199 VanDerWaalsContact O-N 3.1Å; G197-G200 PolarHBondContact O-N 3Å
198	A	82.9	Confident	92.4	Very high	73 Å²	73	51 Å²	51	60%	0.603	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-64.4	-13.3	-175.4	0	0	0	0	0	114.9	R196 G200 P500	R196-A198 PolarHBondContact O-N 3.02Å; A198-G200 PolarHBondContact O-N 2.96Å; A198-P500 WeakPolarHBondContact O-CB 3.42Å
199	C	84.8	Confident	92.4	Very high	99 Å²	99	50.5 Å²	50.5	67%	0.669	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-72.6	-16.9	177.4	-65.8	0	0	0	0	113.3	R196 G197	R196-C199 HydrophobicContact CB-CB 4.46Å; R196-C199 PolarHBondContact O-N 3.2Å; G197-C199 PolarHBondContact O-N 2.91Å; G197-C199 VanDerWaalsContact O-N 3.1Å
200	G	90.2	Very high	92.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	29%	0.286	C	S	.	.			trans	69.1	179.3	-177	0	0	0	0	0	114.6	R196 G197 A198 L523	R196-G200 VanDerWaalsContact CD-O 3.23Å; R196-G200 WeakPolarHBondContact CD-O 3.4Å; G197-G200 PolarHBondContact O-N 3Å; A198-G200 PolarHBondContact O-N 2.96Å; G200-L523 CarbonylContact C-O 3.56Å; G200-L523 VanDerWaalsContact CA-O 3.23Å; G200-L523 WeakPolarHBondContact CA-O 3.44Å
201	V	94.1	Very high	92.6	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-127.2	139.9	-175.8	-174.9	0	0	0	0	109.6	L189 L192 N193 P203 A522 L523	L189-V201 HydrophobicContact CD2-CB 4.37Å; L189-V201 HydrophobicContact CD2-CG1 3.95Å; L192-V201 HydrophobicContact CB-CB 4.42Å; L192-V201 HydrophobicContact CB-CG1 3.82Å; L192-V201 HydrophobicContact CB-CG2 3.65Å; L192-V201 HydrophobicContact CD1-CG1 3.79Å; L192-V201 HydrophobicContact CG-CG1 4.47Å; N193-V201 HydrophobicContact CB-CG2 3.96Å; V201-P203 WeakPolarHBondContact O-CD 3.25Å; V201-A522 WeakPolarHBondContact O-CA 3.23Å; V201-L523 PolarHBondContact N-O 3.41Å; V201-L523 PolarHBondContact O-N 3.16Å
202	D	94.4	Very high	92.7	Very high	66 Å²	66	43.8 Å²	43.8	35%	0.353	26%	0.255	S	S	.	.			trans	-81.6	114	170.1	-179.7	-11.1	0	0	0	109.4	S204	D202-S204 VanDerWaalsContact C-N 3.28Å; D202-S204 PolarHBondContact O-N 2.93Å; D202-S204 WeakPolarHBondContact OD1-CB 3.39Å; D202-S204 PolarHBondContact OD1-N 3.19Å; D202-S204 PolarHBondContact OD1-OG 3.15Å
203	P	95.6	Very high	92.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	25%	0.25	C	S	.	.			trans	-77	-12.1	-176.9	31.9	-35	0	0	0	113.5	L189 V201 R205 L206 I207 L346 F521 L523	L189-P203 HydrophobicContact CD2-CB 4.15Å; V201-P203 WeakPolarHBondContact O-CD 3.25Å; P203-R205 VanDerWaalsContact C-N 3.33Å; P203-R205 PolarHBondContact O-N 3.33Å; P203-L206 PolarHBondContact O-N 3.13Å; P203-L206 VanDerWaalsContact O-N 3.13Å; P203-I207 HydrophobicContact CB-CG1 4.14Å; P203-I207 WeakPolarHBondContact O-CG1 3.44Å; P203-I207 PolarHBondContact O-N 3.06Å; P203-L346 HydrophobicContact CB-CD2 4.2Å; P203-L346 HydrophobicContact CG-CD2 3.75Å; P203-F521 HydrophobicContact CG-CE2 4.25Å; P203-F521 HydrophobicContact CG-CZ 4.13Å; P203-L523 HydrophobicContact CG-CD1 4.1Å
204	S	94.9	Very high	93	Very high	33 Å²	33	41.7 Å²	41.7	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-54	-45.2	-165.2	-54.9	0	0	0	0	113.5	D202 S208	D202-S204 VanDerWaalsContact C-N 3.28Å; D202-S204 PolarHBondContact O-N 2.93Å; D202-S204 WeakPolarHBondContact OD1-CB 3.39Å; D202-S204 PolarHBondContact OD1-N 3.19Å; D202-S204 PolarHBondContact OD1-OG 3.15Å; S204-S208 WeakPolarHBondContact O-CB 3.46Å; S204-S208 PolarHBondContact O-N 2.9Å
205	R	93.8	Very high	93.3	Very high	151 Å²	151	39 Å²	39	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-70.4	-39	-177.4	-71.6	-179.2	166.8	175.7	-5.1	113.3	P203 N209 D236	P203-R205 VanDerWaalsContact C-N 3.33Å; P203-R205 PolarHBondContact O-N 3.33Å; R205-N209 WeakPolarHBondContact O-CB 3.46Å; R205-N209 PolarHBondContact O-N 3.45Å; R205-D236 IonicContact NH2-OD2 2.75Å
206	L	95.8	Very high	93.5	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-70.7	-45.3	-179.2	-63.7	175.2	0	0	0	110.5	V185 E188 L189 L192 P203 N209 A210	V185-L206 HydrophobicContact CG1-CB 4.34Å; V185-L206 HydrophobicContact CG2-CB 4.19Å; E188-L206 HydrophobicContact CB-CD1 3.98Å; E188-L206 HydrophobicContact CB-CD2 4.11Å; E188-L206 HydrophobicContact CG-CD1 3.77Å; E188-L206 HydrophobicContact CG-CD2 3.55Å; E188-L206 HydrophobicContact CG-CG 4.31Å; L189-L206 HydrophobicContact CD2-CD1 3.74Å; L189-L206 HydrophobicContact CG-CD1 3.87Å; L192-L206 HydrophobicContact CD1-CD1 4.09Å; P203-L206 PolarHBondContact O-N 3.13Å; P203-L206 VanDerWaalsContact O-N 3.13Å; L206-N209 PolarHBondContact O-N 3.41Å; L206-A210 WeakPolarHBondContact O-CB 3.33Å; L206-A210 PolarHBondContact O-N 2.95Å
207	I	97.5	Very high	93.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-47.6	175.2	-61.6	-63.7	0	0	0	110.3	V185 P203 N209 A210 V211 T342 V345 L346 L349 T487 L491	V185-I207 HydrophobicContact CG1-CD1 3.75Å; V185-I207 HydrophobicContact CG2-CD1 4.41Å; P203-I207 HydrophobicContact CB-CG1 4.14Å; P203-I207 WeakPolarHBondContact O-CG1 3.44Å; P203-I207 PolarHBondContact O-N 3.06Å; I207-N209 VanDerWaalsContact C-N 3.33Å; I207-N209 PolarHBondContact O-N 3.22Å; I207-A210 PolarHBondContact O-N 3.33Å; I207-V211 HydrophobicContact CG2-CG2 4.22Å; I207-V211 WeakPolarHBondContact O-CB 3.39Å; I207-V211 WeakPolarHBondContact O-CG2 3.47Å; I207-V211 PolarHBondContact O-N 2.79Å; I207-T342 HydrophobicContact CG2-CG2 4.17Å; I207-V345 HydrophobicContact CD1-CG1 3.97Å; I207-V345 HydrophobicContact CG1-CG1 4.41Å; I207-V345 HydrophobicContact CG2-CB 3.87Å; I207-V345 HydrophobicContact CG2-CG1 3.76Å; I207-L346 HydrophobicContact CB-CD2 4.21Å; I207-L346 HydrophobicContact CG1-CD2 4.06Å; I207-L346 HydrophobicContact CG2-CD2 4.48Å; I207-L346 HydrophobicContact CG2-CG 4.44Å; I207-L349 HydrophobicContact CD1-CD1 4.25Å; I207-L349 HydrophobicContact CG1-CD1 4.41Å; I207-T487 HydrophobicContact CD1-CG2 4.47Å; I207-L491 HydrophobicContact CD1-CD1 4.01Å
208	S	96.6	Very high	94.4	Very high	19 Å²	19	26 Å²	26	13%	0.133	15%	0.154	C	C	.	.	H	α-helix	trans	-57.6	-44.6	178.8	-174	0	0	0	0	112.2	S204 S212 T342	S204-S208 WeakPolarHBondContact O-CB 3.46Å; S204-S208 PolarHBondContact O-N 2.9Å; S208-S212 WeakPolarHBondContact O-CB 3.38Å; S208-S212 PolarHBondContact O-N 3.4Å; S208-S212 PolarHBondContact O-OG 3.35Å; S208-T342 WeakPolarHBondContact CA-OG1 3.02Å
209	N	96.9	Very high	95	Very high	13 Å²	13	22.6 Å²	22.6	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-46.6	176.7	179.7	-93.3	0	0	0	112.6	R205 L206 I207 S212 N213 F224 H226 F231 L235	R205-N209 WeakPolarHBondContact O-CB 3.46Å; R205-N209 PolarHBondContact O-N 3.45Å; L206-N209 PolarHBondContact O-N 3.41Å; I207-N209 VanDerWaalsContact C-N 3.33Å; I207-N209 PolarHBondContact O-N 3.22Å; N209-S212 PolarHBondContact O-N 2.82Å; N209-N213 WeakPolarHBondContact O-CB 3.37Å; N209-N213 PolarHBondContact O-N 3.44Å; N209-N213 PolarHBondContact O-ND2 2.79Å; N209-N213 PolarHBondContact OD1-ND2 3.44Å; N209-N213 VanDerWaalsContact OD1-ND2 3.08Å; N209-F224 PolarHBondContact ND2-O 2.97Å; N209-H226 HydrophobicContact CB-CB 4.22Å; N209-H226 VanDerWaalsContact CG-CA 3.5Å; N209-H226 WeakPolarHBondContact ND2-CA 3.23Å; N209-H226 WeakPolarHBondContact OD1-CA 3.32Å; N209-H226 WeakPolarHBondContact OD1-CB 3.44Å; N209-F231 VanDerWaalsContact ND2-CD1 3.35Å; N209-F231 WeakPolarHBondContact ND2-CD1 3.04Å; N209-F231 WeakPolarHBondContact ND2-CE1 3.39Å; N209-L235 HydrophobicContact CB-CD1 4.43Å
210	A	96.8	Very high	95.5	Very high	15 Å²	15	18 Å²	18	12%	0.124	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-47	-177.5	0	0	0	0	0	112.1	V185 L206 I207 N213	V185-A210 HydrophobicContact CG2-CB 3.56Å; L206-A210 WeakPolarHBondContact O-CB 3.33Å; L206-A210 PolarHBondContact O-N 2.95Å; I207-A210 PolarHBondContact O-N 3.33Å; A210-N213 PolarHBondContact O-N 2.95Å
211	V	96.4	Very high	95.6	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-46.7	175.4	167.9	0	0	0	0	111	I207 N213 V214 I215 G337 T341	I207-V211 HydrophobicContact CG2-CG2 4.22Å; I207-V211 WeakPolarHBondContact O-CB 3.39Å; I207-V211 WeakPolarHBondContact O-CG2 3.47Å; I207-V211 PolarHBondContact O-N 2.79Å; V211-N213 PolarHBondContact O-N 3.47Å; V211-V214 WeakPolarHBondContact O-CB 3.32Å; V211-V214 PolarHBondContact O-N 2.76Å; V211-I215 PolarHBondContact O-N 3.09Å; V211-G337 WeakPolarHBondContact CG1-O 3.24Å; V211-T341 HydrophobicContact CB-CG2 4.45Å; V211-T341 HydrophobicContact CG1-CG2 3.64Å; V211-T341 HydrophobicContact CG2-CG2 3.89Å
212	S	97	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-36.8	179.6	-62.2	0	0	0	0	112.2	S208 N209 V214 I215 C216 L235 T338	S208-S212 WeakPolarHBondContact O-CB 3.38Å; S208-S212 PolarHBondContact O-N 3.4Å; S208-S212 PolarHBondContact O-OG 3.35Å; N209-S212 PolarHBondContact O-N 2.82Å; S212-V214 VanDerWaalsContact C-N 3.25Å; S212-V214 PolarHBondContact O-N 3.01Å; S212-I215 VanDerWaalsContact O-CG2 3.22Å; S212-I215 WeakPolarHBondContact O-CG2 3.4Å; S212-I215 PolarHBondContact O-N 2.95Å; S212-C216 VanDerWaalsContact O-CB 3.29Å; S212-C216 WeakPolarHBondContact O-CB 3.45Å; S212-C216 PolarHBondContact O-N 3.42Å; S212-C216 PolarHBondContact O-SG 3.05Å; S212-L235 WeakPolarHBondContact OG-CD2 3.03Å; S212-T338 WeakPolarHBondContact CA-OG1 3.21Å; S212-T338 WeakPolarHBondContact CB-OG1 3.49Å; S212-T338 WeakPolarHBondContact OG-CB 3.35Å; S212-T338 WeakPolarHBondContact OG-CG2 3.38Å; S212-T338 PolarHBondContact OG-OG1 3.28Å
213	N	96.4	Very high	95.4	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.053	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-27.8	177.2	-84.2	-34.8	0	0	0	113.7	N209 A210 V211 S217 R223 F224	N209-N213 WeakPolarHBondContact O-CB 3.37Å; N209-N213 PolarHBondContact O-N 3.44Å; N209-N213 PolarHBondContact O-ND2 2.79Å; N209-N213 PolarHBondContact OD1-ND2 3.44Å; N209-N213 VanDerWaalsContact OD1-ND2 3.08Å; A210-N213 PolarHBondContact O-N 2.95Å; V211-N213 PolarHBondContact O-N 3.47Å; N213-S217 WeakPolarHBondContact O-CB 3.45Å; N213-S217 PolarHBondContact O-N 3.47Å; N213-R223 HydrophobicContact CB-CB 4.5Å; N213-R223 HydrophobicContact CB-CG 4.27Å; N213-R223 WeakPolarHBondContact OD1-CA 3.39Å; N213-F224 PolarHBondContact ND2-O 3.25Å; N213-F224 PolarHBondContact OD1-N 3.39Å; N213-F224 PolarHBondContact OD1-O 3.3Å
214	V	96.1	Very high	95.2	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-53.3	175	179.6	0	0	0	0	109.5	I178 V211 S212 S217 L218 L479 E483	I178-V214 HydrophobicContact CG1-CG1 4.05Å; I178-V214 HydrophobicContact CG1-CG2 3.75Å; V211-V214 WeakPolarHBondContact O-CB 3.32Å; V211-V214 PolarHBondContact O-N 2.76Å; S212-V214 VanDerWaalsContact C-N 3.25Å; S212-V214 PolarHBondContact O-N 3.01Å; V214-S217 PolarHBondContact O-N 3.27Å; V214-S217 PolarHBondContact O-OG 3.21Å; V214-L218 PolarHBondContact O-N 3.46Å; V214-L479 HydrophobicContact CG1-CD1 3.98Å; V214-E483 WeakPolarHBondContact CB-OE2 3.39Å; V214-E483 HydrophobicContact CG1-CG 4.21Å
215	I	96.1	Very high	95.1	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-42	178.7	-169.3	56.1	0	0	0	111.3	V211 S212 S217 L218 I219 L333 F334 L479	V211-I215 PolarHBondContact O-N 3.09Å; S212-I215 VanDerWaalsContact O-CG2 3.22Å; S212-I215 WeakPolarHBondContact O-CG2 3.4Å; S212-I215 PolarHBondContact O-N 2.95Å; I215-S217 VanDerWaalsContact C-N 3.26Å; I215-S217 PolarHBondContact O-N 3.26Å; I215-L218 HydrophobicContact CD1-CD1 4.44Å; I215-L218 WeakPolarHBondContact O-CB 3.43Å; I215-L218 PolarHBondContact O-N 2.9Å; I215-I219 HydrophobicContact CD1-CG1 4.5Å; I215-I219 HydrophobicContact CD1-CG2 4.08Å; I215-I219 HydrophobicContact CG1-CD1 4.44Å; I215-I219 HydrophobicContact CG1-CG1 4.17Å; I215-I219 WeakPolarHBondContact O-CG1 3.44Å; I215-I219 PolarHBondContact O-N 3.02Å; I215-L333 WeakPolarHBondContact CG1-O 3.47Å; I215-F334 HydrophobicContact CG2-CD2 4.16Å; I215-L479 HydrophobicContact CD1-CD2 4.38Å
216	C	96.1	Very high	94.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.3	-37.2	175.3	-71.1	0	0	0	0	112.6	S212 L218 I219 L220 G221 Q222 F224 F334	S212-C216 VanDerWaalsContact O-CB 3.29Å; S212-C216 WeakPolarHBondContact O-CB 3.45Å; S212-C216 PolarHBondContact O-N 3.42Å; S212-C216 PolarHBondContact O-SG 3.05Å; C216-L218 VanDerWaalsContact C-N 3.27Å; C216-L218 PolarHBondContact O-N 3.39Å; C216-I219 PolarHBondContact O-N 2.82Å; C216-L220 HydrophobicContact CB-CD1 4.19Å; C216-L220 CarbonylContact O-C 3.33Å; C216-L220 VanDerWaalsContact O-CA 3.31Å; C216-L220 WeakPolarHBondContact O-CA 3.43Å; C216-L220 VanDerWaalsContact O-CB 3.31Å; C216-L220 WeakPolarHBondContact O-CB 3.2Å; C216-L220 PolarHBondContact O-N 3.29Å; C216-G221 PolarHBondContact O-N 2.87Å; C216-Q222 CarbonylContact C-O 3.59Å; C216-Q222 WeakPolarHBondContact CB-O 3.43Å; C216-F224 HydrophobicContact CB-CD2 4.44Å; C216-F224 HydrophobicContact CB-CE2 4.2Å; C216-F334 VanDerWaalsContact SG-CE2 3.52Å
217	S	95.1	Very high	94.4	Very high	30 Å²	30	28.3 Å²	28.3	21%	0.21	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-33.1	175.6	75.3	0	0	0	0	112.9	N213 V214 I215 G221 Q222	N213-S217 WeakPolarHBondContact O-CB 3.45Å; N213-S217 PolarHBondContact O-N 3.47Å; V214-S217 PolarHBondContact O-N 3.27Å; V214-S217 PolarHBondContact O-OG 3.21Å; I215-S217 VanDerWaalsContact C-N 3.26Å; I215-S217 PolarHBondContact O-N 3.26Å; S217-G221 PolarHBondContact O-N 3.12Å; S217-Q222 PolarHBondContact N-O 2.96Å
218	L	95.3	Very high	94.2	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-81	-33.2	-179.7	-72.5	175	0	0	0	113.7	L164 F167 L174 V214 I215 C216 D299 L300 L479	L164-L218 HydrophobicContact CD2-CB 3.84Å; L164-L218 HydrophobicContact CD2-CD1 4.37Å; F167-L218 HydrophobicContact CB-CD2 3.6Å; F167-L218 WeakPolarHBondContact O-CD2 3.25Å; L174-L218 HydrophobicContact CD1-CD1 3.82Å; L174-L218 HydrophobicContact CD1-CD2 4.02Å; L174-L218 HydrophobicContact CD1-CG 4.27Å; L174-L218 HydrophobicContact CD2-CD2 3.81Å; L174-L218 HydrophobicContact CD2-CG 4.13Å; L174-L218 HydrophobicContact CG-CD2 4.32Å; V214-L218 PolarHBondContact O-N 3.46Å; I215-L218 HydrophobicContact CD1-CD1 4.44Å; I215-L218 WeakPolarHBondContact O-CB 3.43Å; I215-L218 PolarHBondContact O-N 2.9Å; C216-L218 VanDerWaalsContact C-N 3.27Å; C216-L218 PolarHBondContact O-N 3.39Å; L218-D299 WeakPolarHBondContact O-CB 3.43Å; L218-L300 PolarHBondContact O-N 2.77Å; L218-L300 VanDerWaalsContact O-N 3.09Å; L218-L479 HydrophobicContact CD1-CD1 4.44Å; L218-L479 HydrophobicContact CD1-CD2 3.78Å
219	I	96.1	Very high	94.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-106.6	-22.4	-172.9	55	142.6	0	0	0	114.1	L164 I215 C216 L300 T301 I330 L333 F334	L164-I219 HydrophobicContact CD2-CG2 3.95Å; I215-I219 HydrophobicContact CD1-CG1 4.5Å; I215-I219 HydrophobicContact CD1-CG2 4.08Å; I215-I219 HydrophobicContact CG1-CD1 4.44Å; I215-I219 HydrophobicContact CG1-CG1 4.17Å; I215-I219 WeakPolarHBondContact O-CG1 3.44Å; I215-I219 PolarHBondContact O-N 3.02Å; C216-I219 PolarHBondContact O-N 2.82Å; I219-L300 HydrophobicContact CB-CB 4.47Å; I219-L300 HydrophobicContact CG2-CB 4.16Å; I219-L300 HydrophobicContact CG2-CD2 3.79Å; I219-T301 PolarHBondContact O-OG1 2.94Å; I219-I330 HydrophobicContact CB-CD1 4.07Å; I219-I330 HydrophobicContact CD1-CG2 4Å; I219-L333 HydrophobicContact CG2-CB 4.18Å; I219-L333 HydrophobicContact CG2-CD1 3.83Å; I219-F334 HydrophobicContact CD1-CB 3.87Å
220	L	94.9	Very high	93.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-128.5	0	-175.2	-47.2	176.8	0	0	0	113.3	C216 Q222 F224 I284 H288 I330	C216-L220 HydrophobicContact CB-CD1 4.19Å; C216-L220 CarbonylContact O-C 3.33Å; C216-L220 VanDerWaalsContact O-CA 3.31Å; C216-L220 WeakPolarHBondContact O-CA 3.43Å; C216-L220 VanDerWaalsContact O-CB 3.31Å; C216-L220 WeakPolarHBondContact O-CB 3.2Å; C216-L220 PolarHBondContact O-N 3.29Å; L220-Q222 HydrophobicContact CB-CG 3.94Å; L220-Q222 WeakPolarHBondContact O-CG 3.46Å; L220-Q222 PolarHBondContact O-N 3.42Å; L220-F224 HydrophobicContact CD1-CE2 4.38Å; L220-I284 HydrophobicContact CB-CG2 4.27Å; L220-I284 HydrophobicContact CD1-CD1 4.01Å; L220-I284 HydrophobicContact CD1-CG2 4.42Å; L220-I284 HydrophobicContact CD2-CG2 3.82Å; L220-I284 HydrophobicContact CG-CG2 4.38Å; L220-H288 PolarHBondContact O-CE1 2.67Å; L220-H288 VanDerWaalsContact O-CE1 3.31Å; L220-H288 PolarHBondContact O-NE2 3.12Å; L220-H288 VanDerWaalsContact O-NE2 3.15Å; L220-I330 HydrophobicContact CD2-CG2 3.59Å
221	G	92.3	Very high	93.8	Very high	40 Å²	40	37.8 Å²	37.8	41%	0.412	20%	0.197	S	C	.	.	S	Bend	trans	63.4	11.5	177.6	0	0	0	0	0	114.8	C216 S217 D299	C216-G221 PolarHBondContact O-N 2.87Å; S217-G221 PolarHBondContact O-N 3.12Å; G221-D299 WeakPolarHBondContact CA-OD2 3.1Å; G221-D299 PolarHBondContact N-OD2 3.09Å
222	Q	91.4	Very high	93.6	Very high	71 Å²	71	41.8 Å²	41.8	33%	0.332	21%	0.212	S	C	.	.			trans	-140.6	161.7	-170.8	70.8	-174.9	-24.8	0	0	112.6	C216 S217 L220 F224	C216-Q222 CarbonylContact C-O 3.59Å; C216-Q222 WeakPolarHBondContact CB-O 3.43Å; S217-Q222 PolarHBondContact N-O 2.96Å; L220-Q222 HydrophobicContact CB-CG 3.94Å; L220-Q222 WeakPolarHBondContact O-CG 3.46Å; L220-Q222 PolarHBondContact O-N 3.42Å; Q222-F224 HydrophobicContact CG-CE2 3.91Å; Q222-F224 HydrophobicContact CG-CZ 3.82Å
223	R	91.6	Very high	93.5	Very high	98 Å²	98	43.2 Å²	43.2	37%	0.37	23%	0.227	S	C	.	.			trans	-131.7	147.8	178.5	-66	172	66.1	-178.4	6.5	109.9	N213	N213-R223 HydrophobicContact CB-CB 4.5Å; N213-R223 HydrophobicContact CB-CG 4.27Å; N213-R223 WeakPolarHBondContact OD1-CA 3.39Å
224	F	93.2	Very high	93.4	Very high	24 Å²	24	43.2 Å²	43.2	11%	0.105	23%	0.227	C	C	.	.			trans	-113	134	-175.6	-59.7	-86.4	0	0	0	110	N209 N213 C216 L220 Q222 F231 F280 I284	N209-F224 PolarHBondContact ND2-O 2.97Å; N213-F224 PolarHBondContact ND2-O 3.25Å; N213-F224 PolarHBondContact OD1-N 3.39Å; N213-F224 PolarHBondContact OD1-O 3.3Å; C216-F224 HydrophobicContact CB-CD2 4.44Å; C216-F224 HydrophobicContact CB-CE2 4.2Å; L220-F224 HydrophobicContact CD1-CE2 4.38Å; Q222-F224 HydrophobicContact CG-CE2 3.91Å; Q222-F224 HydrophobicContact CG-CZ 3.82Å; F224-F231 HydrophobicContact CB-CB 3.87Å; F224-F231 HydrophobicContact CB-CD1 3.38Å; F224-F231 HydrophobicContact CB-CD2 3.88Å; F224-F231 HydrophobicContact CB-CE1 3.74Å; F224-F231 HydrophobicContact CB-CE2 4.21Å; F224-F231 HydrophobicContact CB-CG 3.44Å; F224-F231 VanDerWaalsContact CB-CG 3.44Å; F224-F231 HydrophobicContact CB-CZ 4.13Å; F224-F231 HydrophobicContact CD1-CB 4.11Å; F224-F231 AromaticContact CD1-CD2 3.9Å; F224-F231 HydrophobicContact CD1-CD2 3.9Å; F224-F231 HydrophobicContact CD1-CE2 4.5Å; F224-F231 HydrophobicContact CD1-CG 4.06Å; F224-F231 HydrophobicContact CD2-CD1 4.29Å; F224-F231 AromaticContact CD2-CD2 3.48Å; F224-F231 HydrophobicContact CD2-CD2 3.48Å; F224-F231 VanDerWaalsContact CD2-CD2 3.48Å; F224-F231 HydrophobicContact CD2-CE1 4.08Å; F224-F231 AromaticContact CD2-CE2 3.24Å; F224-F231 HydrophobicContact CD2-CE2 3.24Å; F224-F231 AromaticContact CD2-CG 3.99Å; F224-F231 HydrophobicContact CD2-CG 3.99Å; F224-F231 AromaticContact CD2-CZ 3.55Å; F224-F231 HydrophobicContact CD2-CZ 3.55Å; F224-F231 HydrophobicContact CE1-CD2 4.3Å; F224-F231 AromaticContact CE2-CD2 3.92Å; F224-F231 HydrophobicContact CE2-CD2 3.92Å; F224-F231 AromaticContact CE2-CE2 3.63Å; F224-F231 HydrophobicContact CE2-CE2 3.63Å; F224-F231 HydrophobicContact CE2-CZ 4.29Å; F224-F231 HydrophobicContact CG-CB 4.05Å; F224-F231 AromaticContact CG-CD1 3.95Å; F224-F231 HydrophobicContact CG-CD1 3.95Å; F224-F231 AromaticContact CG-CD2 3.46Å; F224-F231 HydrophobicContact CG-CD2 3.46Å; F224-F231 VanDerWaalsContact CG-CD2 3.46Å; F224-F231 HydrophobicContact CG-CE1 4.18Å; F224-F231 AromaticContact CG-CE2 3.73Å; F224-F231 HydrophobicContact CG-CE2 3.73Å; F224-F231 AromaticContact CG-CG 3.56Å; F224-F231 HydrophobicContact CG-CG 3.56Å; F224-F231 HydrophobicContact CG-CZ 4.07Å; F224-F231 HydrophobicContact CZ-CD2 4.31Å; F224-F231 HydrophobicContact CZ-CE2 4.4Å; F224-F280 HydrophobicContact CE1-CE2 4.48Å; F224-F280 HydrophobicContact CE1-CZ 4.21Å; F224-F280 AromaticContact CZ-CZ 3.91Å; F224-F280 HydrophobicContact CZ-CZ 3.91Å; F224-I284 HydrophobicContact CZ-CD1 4.27Å
225	H	91	Very high	93.4	Very high	109 Å²	109	43.6 Å²	43.6	51%	0.505	23%	0.229	S	C	.	.			trans	-62	143.6	176.3	-166.7	-103.8	0	0	0	110	E227 D228	H225-E227 IonicContact CE1-OE2 3.72Å; H225-E227 PolarHBondContact CE1-OE2 3.46Å; H225-E227 WeakPolarHBondContact ND1-CB 3.5Å; H225-E227 PolarHBondContact ND1-N 3.31Å; H225-E227 VanDerWaalsContact ND1-N 3.2Å; H225-E227 IonicContact ND1-OE2 3.64Å; H225-E227 PolarHBondContact O-N 3.02Å; H225-D228 VanDerWaalsContact O-CB 3.27Å; H225-D228 WeakPolarHBondContact O-CB 3.39Å; H225-D228 PolarHBondContact O-N 3.39Å
226	H	87.3	Confident	93.2	Very high	36 Å²	36	47 Å²	47	17%	0.167	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.3	-178.9	69.9	-78.7	0	0	0	113.3	N209 R232	N209-H226 HydrophobicContact CB-CB 4.22Å; N209-H226 VanDerWaalsContact CG-CA 3.5Å; N209-H226 WeakPolarHBondContact ND2-CA 3.23Å; N209-H226 WeakPolarHBondContact OD1-CA 3.32Å; N209-H226 WeakPolarHBondContact OD1-CB 3.44Å; H226-R232 PolarHBondContact O-NE 3.5Å; H226-R232 PolarHBondContact O-NH2 3.19Å
227	E	88.7	Confident	93.1	Very high	111 Å²	111	49 Å²	49	52%	0.519	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-3.3	174.1	-56.9	-174.7	129.1	0	0	115.3	H225 P229 R232	H225-E227 IonicContact CE1-OE2 3.72Å; H225-E227 PolarHBondContact CE1-OE2 3.46Å; H225-E227 WeakPolarHBondContact ND1-CB 3.5Å; H225-E227 PolarHBondContact ND1-N 3.31Å; H225-E227 VanDerWaalsContact ND1-N 3.2Å; H225-E227 IonicContact ND1-OE2 3.64Å; H225-E227 PolarHBondContact O-N 3.02Å; E227-P229 VanDerWaalsContact O-CD 3.29Å; E227-P229 WeakPolarHBondContact O-CD 3.1Å; E227-P229 VanDerWaalsContact O-N 3.14Å; E227-R232 VanDerWaalsContact CA-CZ 3.5Å
228	D	93.3	Very high	92.9	Very high	44 Å²	44	47.7 Å²	47.7	24%	0.235	25%	0.248	C	C	.	.			trans	-61	115.3	178.1	-176.9	-26.1	0	0	0	110.3	H225 E230 F231 R232	H225-D228 VanDerWaalsContact O-CB 3.27Å; H225-D228 WeakPolarHBondContact O-CB 3.39Å; H225-D228 PolarHBondContact O-N 3.39Å; D228-E230 WeakPolarHBondContact OD1-CA 3.34Å; D228-E230 WeakPolarHBondContact OD1-CB 3.22Å; D228-E230 PolarHBondContact OD1-N 3.15Å; D228-F231 HydrophobicContact CB-CB 3.97Å; D228-F231 PolarHBondContact OD1-N 3Å; D228-F231 VanDerWaalsContact OD1-N 3.13Å; D228-R232 WeakPolarHBondContact O-CB 3.36Å; D228-R232 VanDerWaalsContact O-CG 3.26Å; D228-R232 WeakPolarHBondContact O-CG 3.44Å; D228-R232 PolarHBondContact O-N 3.48Å
229	P	93.4	Very high	92.7	Very high	107 Å²	107	49 Å²	49	70%	0.695	26%	0.257	S	S	*	.	H	α-helix	trans	-70.9	-30.6	-176.9	29.4	-34.5	0	0	0	112.9	E227 G233	E227-P229 VanDerWaalsContact O-CD 3.29Å; E227-P229 WeakPolarHBondContact O-CD 3.1Å; E227-P229 VanDerWaalsContact O-N 3.14Å; P229-G233 PolarHBondContact O-N 3.07Å
230	E	93.5	Very high	92.4	Very high	95 Å²	95	53.6 Å²	53.6	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-67	-51.5	176.3	-176.2	176	-158.2	0	0	108.6	D228 G233 I234 F280 K283	D228-E230 WeakPolarHBondContact OD1-CA 3.34Å; D228-E230 WeakPolarHBondContact OD1-CB 3.22Å; D228-E230 PolarHBondContact OD1-N 3.15Å; E230-G233 PolarHBondContact O-N 2.93Å; E230-I234 WeakPolarHBondContact O-CG1 3.26Å; E230-I234 PolarHBondContact O-N 3.14Å; E230-F280 HydrophobicContact CG-CD2 4.33Å; E230-F280 HydrophobicContact CG-CE2 4.46Å; E230-K283 IonicContact OE1-NZ 3.69Å; E230-K283 PolarHBondContact OE1-NZ 3.21Å; E230-K283 IonicContact OE2-NZ 3.58Å; E230-K283 PolarHBondContact OE2-NZ 2.87Å
231	F	93.9	Very high	92.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-44.2	-179.3	-168.7	-115.8	0	0	0	112.6	N209 F224 D228 G233 I234 L235 F280 F334	N209-F231 VanDerWaalsContact ND2-CD1 3.35Å; N209-F231 WeakPolarHBondContact ND2-CD1 3.04Å; N209-F231 WeakPolarHBondContact ND2-CE1 3.39Å; F224-F231 HydrophobicContact CB-CB 3.87Å; F224-F231 HydrophobicContact CB-CD1 3.38Å; F224-F231 HydrophobicContact CB-CD2 3.88Å; F224-F231 HydrophobicContact CB-CE1 3.74Å; F224-F231 HydrophobicContact CB-CE2 4.21Å; F224-F231 HydrophobicContact CB-CG 3.44Å; F224-F231 VanDerWaalsContact CB-CG 3.44Å; F224-F231 HydrophobicContact CB-CZ 4.13Å; F224-F231 HydrophobicContact CD1-CB 4.11Å; F224-F231 AromaticContact CD1-CD2 3.9Å; F224-F231 HydrophobicContact CD1-CD2 3.9Å; F224-F231 HydrophobicContact CD1-CE2 4.5Å; F224-F231 HydrophobicContact CD1-CG 4.06Å; F224-F231 HydrophobicContact CD2-CD1 4.29Å; F224-F231 AromaticContact CD2-CD2 3.48Å; F224-F231 HydrophobicContact CD2-CD2 3.48Å; F224-F231 VanDerWaalsContact CD2-CD2 3.48Å; F224-F231 HydrophobicContact CD2-CE1 4.08Å; F224-F231 AromaticContact CD2-CE2 3.24Å; F224-F231 HydrophobicContact CD2-CE2 3.24Å; F224-F231 AromaticContact CD2-CG 3.99Å; F224-F231 HydrophobicContact CD2-CG 3.99Å; F224-F231 AromaticContact CD2-CZ 3.55Å; F224-F231 HydrophobicContact CD2-CZ 3.55Å; F224-F231 HydrophobicContact CE1-CD2 4.3Å; F224-F231 AromaticContact CE2-CD2 3.92Å; F224-F231 HydrophobicContact CE2-CD2 3.92Å; F224-F231 AromaticContact CE2-CE2 3.63Å; F224-F231 HydrophobicContact CE2-CE2 3.63Å; F224-F231 HydrophobicContact CE2-CZ 4.29Å; F224-F231 HydrophobicContact CG-CB 4.05Å; F224-F231 AromaticContact CG-CD1 3.95Å; F224-F231 HydrophobicContact CG-CD1 3.95Å; F224-F231 AromaticContact CG-CD2 3.46Å; F224-F231 HydrophobicContact CG-CD2 3.46Å; F224-F231 VanDerWaalsContact CG-CD2 3.46Å; F224-F231 HydrophobicContact CG-CE1 4.18Å; F224-F231 AromaticContact CG-CE2 3.73Å; F224-F231 HydrophobicContact CG-CE2 3.73Å; F224-F231 AromaticContact CG-CG 3.56Å; F224-F231 HydrophobicContact CG-CG 3.56Å; F224-F231 HydrophobicContact CG-CZ 4.07Å; F224-F231 HydrophobicContact CZ-CD2 4.31Å; F224-F231 HydrophobicContact CZ-CE2 4.4Å; D228-F231 HydrophobicContact CB-CB 3.97Å; D228-F231 PolarHBondContact OD1-N 3Å; D228-F231 VanDerWaalsContact OD1-N 3.13Å; F231-G233 VanDerWaalsContact C-N 3.28Å; F231-G233 PolarHBondContact O-N 3.33Å; F231-I234 PolarHBondContact O-N 3.22Å; F231-I234 VanDerWaalsContact O-N 3.12Å; F231-L235 HydrophobicContact CD1-CD1 3.92Å; F231-L235 HydrophobicContact CD1-CG 4.3Å; F231-L235 HydrophobicContact CE1-CD1 3.71Å; F231-L235 HydrophobicContact CE1-CD2 4.26Å; F231-L235 HydrophobicContact CE1-CG 4.15Å; F231-L235 HydrophobicContact CE2-CD2 4.48Å; F231-L235 HydrophobicContact CZ-CD1 4.36Å; F231-L235 HydrophobicContact CZ-CD2 4.08Å; F231-L235 HydrophobicContact CZ-CG 4.4Å; F231-L235 WeakPolarHBondContact O-CG 3.33Å; F231-L235 PolarHBondContact O-N 2.89Å; F231-F280 HydrophobicContact CD2-CZ 4.01Å; F231-F280 HydrophobicContact CE2-CZ 4.46Å; F231-F334 HydrophobicContact CE2-CE2 4.16Å; F231-F334 AromaticContact CE2-CZ 3.62Å; F231-F334 HydrophobicContact CE2-CZ 3.62Å; F231-F334 HydrophobicContact CZ-CE2 4.28Å; F231-F334 HydrophobicContact CZ-CZ 4.14Å
232	R	92.6	Very high	92.1	Very high	87 Å²	87	53.3 Å²	53.3	33%	0.328	27%	0.266	S	S	.	.	H	α-helix	trans	-54.8	-45.4	172.7	-79.4	176.7	171.5	172.4	2.9	111.7	H226 E227 D228 I234 L235 D236	H226-R232 PolarHBondContact O-NE 3.5Å; H226-R232 PolarHBondContact O-NH2 3.19Å; E227-R232 VanDerWaalsContact CA-CZ 3.5Å; D228-R232 WeakPolarHBondContact O-CB 3.36Å; D228-R232 VanDerWaalsContact O-CG 3.26Å; D228-R232 WeakPolarHBondContact O-CG 3.44Å; D228-R232 PolarHBondContact O-N 3.48Å; R232-I234 VanDerWaalsContact C-N 3.31Å; R232-I234 PolarHBondContact O-N 3.45Å; R232-L235 PolarHBondContact O-N 2.85Å; R232-D236 PolarHBondContact O-N 3.44Å
233	G	94.6	Very high	91.9	Very high	30 Å²	30	50.9 Å²	50.9	31%	0.309	26%	0.255	S	S	.	.	H	α-helix	trans	-59.4	-42.2	177.2	0	0	0	0	0	112.3	P229 E230 F231 D236 L237	P229-G233 PolarHBondContact O-N 3.07Å; E230-G233 PolarHBondContact O-N 2.93Å; F231-G233 VanDerWaalsContact C-N 3.28Å; F231-G233 PolarHBondContact O-N 3.33Å; G233-D236 PolarHBondContact O-N 2.91Å; G233-L237 WeakPolarHBondContact O-CB 3.25Å; G233-L237 WeakPolarHBondContact O-CG 3.27Å; G233-L237 PolarHBondContact O-N 3.42Å
234	I	95.3	Very high	91.7	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-44.4	177.1	-65.7	-63.2	0	0	0	111.8	E230 F231 R232 D236 L237 M238 F280 F334	E230-I234 WeakPolarHBondContact O-CG1 3.26Å; E230-I234 PolarHBondContact O-N 3.14Å; F231-I234 PolarHBondContact O-N 3.22Å; F231-I234 VanDerWaalsContact O-N 3.12Å; R232-I234 VanDerWaalsContact C-N 3.31Å; R232-I234 PolarHBondContact O-N 3.45Å; I234-D236 PolarHBondContact O-N 3.34Å; I234-L237 HydrophobicContact CD1-CD1 4.39Å; I234-L237 PolarHBondContact O-N 3.13Å; I234-M238 HydrophobicContact CG2-CG 4.39Å; I234-M238 HydrophobicContact CG2-SD 3.78Å; I234-M238 VanDerWaalsContact O-CG 3.25Å; I234-M238 WeakPolarHBondContact O-CG 3.09Å; I234-M238 PolarHBondContact O-N 3.23Å; I234-F280 HydrophobicContact CD1-CB 3.64Å; I234-F280 HydrophobicContact CD1-CD1 4.37Å; I234-F280 HydrophobicContact CD1-CD2 4.25Å; I234-F280 HydrophobicContact CD1-CG 3.85Å; I234-F280 HydrophobicContact CG1-CB 4.14Å; I234-F280 HydrophobicContact CG1-CD1 4.14Å; I234-F280 HydrophobicContact CG1-CD2 3.82Å; I234-F280 HydrophobicContact CG1-CE2 4.22Å; I234-F280 HydrophobicContact CG1-CG 3.77Å; I234-F280 HydrophobicContact CG2-CD1 4.05Å; I234-F280 HydrophobicContact CG2-CE1 4.18Å; I234-F334 HydrophobicContact CG2-CE1 3.85Å; I234-F334 HydrophobicContact CG2-CZ 4.28Å
235	L	94.7	Very high	91.2	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-44	177.3	-61.9	179.9	0	0	0	112.1	N209 S212 F231 R232 L237 M238 S239 F334 T338	N209-L235 HydrophobicContact CB-CD1 4.43Å; S212-L235 WeakPolarHBondContact OG-CD2 3.03Å; F231-L235 HydrophobicContact CD1-CD1 3.92Å; F231-L235 HydrophobicContact CD1-CG 4.3Å; F231-L235 HydrophobicContact CE1-CD1 3.71Å; F231-L235 HydrophobicContact CE1-CD2 4.26Å; F231-L235 HydrophobicContact CE1-CG 4.15Å; F231-L235 HydrophobicContact CE2-CD2 4.48Å; F231-L235 HydrophobicContact CZ-CD1 4.36Å; F231-L235 HydrophobicContact CZ-CD2 4.08Å; F231-L235 HydrophobicContact CZ-CG 4.4Å; F231-L235 WeakPolarHBondContact O-CG 3.33Å; F231-L235 PolarHBondContact O-N 2.89Å; R232-L235 PolarHBondContact O-N 2.85Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.31Å; L235-M238 HydrophobicContact CD2-SD 4.25Å; L235-M238 PolarHBondContact O-N 3.43Å; L235-S239 PolarHBondContact O-N 2.82Å; L235-S239 VanDerWaalsContact O-N 3.17Å; L235-F334 HydrophobicContact CD2-CE2 4.26Å; L235-F334 HydrophobicContact CD2-CZ 4.09Å; L235-T338 HydrophobicContact CD2-CG2 3.84Å
236	D	93.3	Very high	90.7	Very high	79 Å²	79	44.2 Å²	44.2	42%	0.422	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-41.4	176.4	-76.2	-10.8	0	0	0	110.8	R205 R232 G233 I234 R240	R205-D236 IonicContact NH2-OD2 2.75Å; R232-D236 PolarHBondContact O-N 3.44Å; G233-D236 PolarHBondContact O-N 2.91Å; I234-D236 PolarHBondContact O-N 3.34Å; D236-R240 WeakPolarHBondContact O-CB 3.47Å; D236-R240 PolarHBondContact O-N 2.95Å
237	L	93.6	Very high	90.3	Very high	41 Å²	41	46.9 Å²	46.9	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-38.3	176.5	-72.9	170	0	0	0	112.6	G233 I234 L235 G241 V273 D276	G233-L237 WeakPolarHBondContact O-CB 3.25Å; G233-L237 WeakPolarHBondContact O-CG 3.27Å; G233-L237 PolarHBondContact O-N 3.42Å; I234-L237 HydrophobicContact CD1-CD1 4.39Å; I234-L237 PolarHBondContact O-N 3.13Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.31Å; L237-G241 PolarHBondContact O-N 3.5Å; L237-V273 HydrophobicContact CB-CG1 4.41Å; L237-V273 HydrophobicContact CD2-CG2 3.77Å; L237-V273 WeakPolarHBondContact O-CG1 3.23Å; L237-D276 HydrophobicContact CD1-CB 3.79Å
238	M	92	Very high	90.1	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-53	178.2	-71.8	161.3	70.4	0	0	111.2	I234 L235 R240 G241 L242 I277 F334 I335 T338	I234-M238 HydrophobicContact CG2-CG 4.39Å; I234-M238 HydrophobicContact CG2-SD 3.78Å; I234-M238 VanDerWaalsContact O-CG 3.25Å; I234-M238 WeakPolarHBondContact O-CG 3.09Å; I234-M238 PolarHBondContact O-N 3.23Å; L235-M238 HydrophobicContact CD2-SD 4.25Å; L235-M238 PolarHBondContact O-N 3.43Å; M238-R240 VanDerWaalsContact C-N 3.3Å; M238-R240 PolarHBondContact O-N 3.11Å; M238-G241 PolarHBondContact O-N 2.82Å; M238-L242 PolarHBondContact O-N 3.47Å; M238-I277 HydrophobicContact CG-CD1 3.87Å; M238-I277 HydrophobicContact CG-CG1 4.47Å; M238-F334 HydrophobicContact CE-CB 4.49Å; M238-F334 HydrophobicContact CE-CD1 3.83Å; M238-F334 HydrophobicContact CE-CD2 3.89Å; M238-F334 HydrophobicContact CE-CE1 3.94Å; M238-F334 HydrophobicContact CE-CE2 3.98Å; M238-F334 HydrophobicContact CE-CG 3.8Å; M238-F334 HydrophobicContact CE-CZ 4Å; M238-F334 HydrophobicContact SD-CD1 3.97Å; M238-F334 HydrophobicContact SD-CE1 3.55Å; M238-F334 VanDerWaalsContact SD-CE1 3.55Å; M238-F334 HydrophobicContact SD-CE2 4.27Å; M238-F334 HydrophobicContact SD-CZ 3.71Å; M238-I335 VanDerWaalsContact CE-CA 3.41Å; M238-I335 HydrophobicContact CE-CB 4.02Å; M238-I335 HydrophobicContact CE-CG1 3.54Å; M238-I335 HydrophobicContact CG-CG1 4.14Å; M238-T338 HydrophobicContact CE-CG2 4.16Å
239	S	90.3	Very high	89.7	Confident	29 Å²	29	44.1 Å²	44.1	20%	0.203	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-44.2	178	-171.3	0	0	0	0	110.8	L235 G241 L242 E243	L235-S239 PolarHBondContact O-N 2.82Å; L235-S239 VanDerWaalsContact O-N 3.17Å; S239-G241 PolarHBondContact O-N 3.06Å; S239-L242 PolarHBondContact O-N 2.87Å; S239-E243 PolarHBondContact O-N 3.09Å
240	R	90.6	Very high	89.4	Confident	97 Å²	97	39 Å²	39	37%	0.366	21%	0.209	S	C	.	.	H	α-helix	trans	-64	-38.2	177.8	-177.1	56.4	-178.8	168.8	4.3	112.9	D236 M238 L242 E243 I244 E269	D236-R240 WeakPolarHBondContact O-CB 3.47Å; D236-R240 PolarHBondContact O-N 2.95Å; M238-R240 VanDerWaalsContact C-N 3.3Å; M238-R240 PolarHBondContact O-N 3.11Å; R240-L242 VanDerWaalsContact C-N 3.34Å; R240-L242 PolarHBondContact O-N 3Å; R240-E243 IonicContact NH1-OE2 2.76Å; R240-E243 PolarHBondContact O-N 3.01Å; R240-I244 HydrophobicContact CG-CD1 3.7Å; R240-I244 HydrophobicContact CG-CG1 4.19Å; R240-I244 VanDerWaalsContact O-CG1 3.25Å; R240-I244 WeakPolarHBondContact O-CG1 3.43Å; R240-I244 PolarHBondContact O-N 2.87Å; R240-E269 IonicContact CZ-OE1 3.88Å; R240-E269 IonicContact NE-OE1 2.67Å; R240-E269 PolarHBondContact NE-OE1 3.42Å; R240-E269 IonicContact NH2-OE1 2.82Å; R240-E269 PolarHBondContact NH2-OE1 3.33Å; R240-E269 VanDerWaalsContact NH2-OE1 3.09Å; R240-E269 IonicContact NH2-OE2 3.3Å; R240-E269 PolarHBondContact NH2-OE2 2.9Å
241	G	90.3	Very high	89.1	Confident	10 Å²	10	36 Å²	36	10%	0.103	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-40.9	177.1	0	0	0	0	0	113	L237 M238 S239 E243 C245	L237-G241 PolarHBondContact O-N 3.5Å; M238-G241 PolarHBondContact O-N 2.82Å; S239-G241 PolarHBondContact O-N 3.06Å; G241-E243 VanDerWaalsContact C-N 3.34Å; G241-C245 PolarHBondContact O-N 2.98Å; G241-C245 PolarHBondContact O-SG 3.05Å
242	L	89	Confident	88.8	Confident	26 Å²	26	37 Å²	37	14%	0.136	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-36.6	176.6	-64	178.8	0	0	0	112.1	M238 S239 R240 I335 D339 G513 L514 T515	M238-L242 PolarHBondContact O-N 3.47Å; S239-L242 PolarHBondContact O-N 2.87Å; R240-L242 VanDerWaalsContact C-N 3.34Å; R240-L242 PolarHBondContact O-N 3Å; L242-I335 HydrophobicContact CD1-CG2 4.13Å; L242-I335 HydrophobicContact CD2-CG2 4.3Å; L242-I335 HydrophobicContact CG-CG2 4.5Å; L242-D339 HydrophobicContact CD1-CB 3.93Å; L242-D339 WeakPolarHBondContact CD1-OD2 3.34Å; L242-G513 WeakPolarHBondContact O-CA 3.27Å; L242-L514 HydrophobicContact CB-CB 4.32Å; L242-L514 HydrophobicContact CD2-CB 3.97Å; L242-L514 HydrophobicContact CD2-CD2 3.82Å; L242-L514 PolarHBondContact O-N 3.18Å; L242-T515 HydrophobicContact CD1-CG2 4.47Å
243	E	86.9	Confident	88.7	Confident	21 Å²	21	32.9 Å²	32.9	10%	0.098	19%	0.187	C	C	.	.	H	α-helix	trans	-72.9	-44	177	-71.1	174.2	-150.9	0	0	112.9	S239 R240 G241 C245 I246 N247 R511	S239-E243 PolarHBondContact O-N 3.09Å; R240-E243 IonicContact NH1-OE2 2.76Å; R240-E243 PolarHBondContact O-N 3.01Å; G241-E243 VanDerWaalsContact C-N 3.34Å; E243-C245 VanDerWaalsContact C-N 3.25Å; E243-C245 PolarHBondContact O-N 2.95Å; E243-I246 PolarHBondContact O-N 2.64Å; E243-N247 WeakPolarHBondContact O-CB 3.25Å; E243-N247 PolarHBondContact O-N 3.12Å; E243-R511 IonicContact OE1-CZ 2.56Å; E243-R511 IonicContact OE1-NH1 3.77Å; E243-R511 PolarHBondContact OE1-NH1 3.38Å; E243-R511 IonicContact OE1-NH2 2.69Å; E243-R511 PolarHBondContact OE1-NH2 2.69Å; E243-R511 IonicContact OE2-NH1 2.65Å; E243-R511 PolarHBondContact OE2-NH1 3.05Å
244	I	87.8	Confident	88.5	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-40.2	-177.7	-71.4	164.3	0	0	0	110.7	R240 I246 S248 A250 A266 E269 L270 V273	R240-I244 HydrophobicContact CG-CD1 3.7Å; R240-I244 HydrophobicContact CG-CG1 4.19Å; R240-I244 VanDerWaalsContact O-CG1 3.25Å; R240-I244 WeakPolarHBondContact O-CG1 3.43Å; R240-I244 PolarHBondContact O-N 2.87Å; I244-I246 PolarHBondContact O-N 2.76Å; I244-I246 VanDerWaalsContact O-N 3.1Å; I244-S248 WeakPolarHBondContact CG2-OG 3.44Å; I244-S248 VanDerWaalsContact O-CB 3.31Å; I244-S248 WeakPolarHBondContact O-CB 3.38Å; I244-S248 PolarHBondContact O-N 2.75Å; I244-S248 PolarHBondContact O-OG 3.27Å; I244-A250 HydrophobicContact CG2-CB 3.85Å; I244-A266 HydrophobicContact CG2-CB 4.31Å; I244-E269 HydrophobicContact CD1-CB 4.18Å; I244-E269 HydrophobicContact CD1-CG 3.56Å; I244-E269 WeakPolarHBondContact CD1-OE1 3.5Å; I244-L270 HydrophobicContact CG2-CB 4.13Å; I244-L270 HydrophobicContact CG2-CD1 4.43Å; I244-V273 HydrophobicContact CD1-CG2 4.37Å
245	C	83.8	Confident	88.1	Confident	28 Å²	28	34.1 Å²	34.1	19%	0.189	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-25.2	-177	-74.2	0	0	0	0	113.9	G241 E243	G241-C245 PolarHBondContact O-N 2.98Å; G241-C245 PolarHBondContact O-SG 3.05Å; E243-C245 VanDerWaalsContact C-N 3.25Å; E243-C245 PolarHBondContact O-N 2.95Å
246	I	79.7	Confident	87.9	Confident	61 Å²	61	38 Å²	38	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-120.6	-40.9	-172.1	-69.1	170	0	0	0	112.2	E243 I244 F512 G513	E243-I246 PolarHBondContact O-N 2.64Å; I244-I246 PolarHBondContact O-N 2.76Å; I244-I246 VanDerWaalsContact O-N 3.1Å; I246-F512 HydrophobicContact CG2-CD1 4.25Å; I246-F512 HydrophobicContact CG2-CE1 4Å; I246-G513 VanDerWaalsContact CD1-C 3.43Å; I246-G513 WeakPolarHBondContact CD1-O 3.43Å
247	N	79	Confident	87.9	Confident	92 Å²	92	37 Å²	37	49%	0.492	20%	0.201	S	C	.	.	H	α-helix	trans	-94.2	10.8	-174.1	-67.8	-33.4	0	0	0	114.7	E243 F512	E243-N247 WeakPolarHBondContact O-CB 3.25Å; E243-N247 PolarHBondContact O-N 3.12Å; N247-F512 PolarHBondContact ND2-O 3.16Å; N247-F512 PolarHBondContact OD1-O 3.48Å; N247-F512 VanDerWaalsContact OD1-O 3.09Å
248	S	83.6	Confident	87.8	Confident	20 Å²	20	41.8 Å²	41.8	14%	0.14	23%	0.226	C	C	.	.	S	Bend	trans	-130.1	169.3	-177.8	88.6	0	0	0	0	111.7	I244 A250 V251 A266	I244-S248 WeakPolarHBondContact CG2-OG 3.44Å; I244-S248 VanDerWaalsContact O-CB 3.31Å; I244-S248 WeakPolarHBondContact O-CB 3.38Å; I244-S248 PolarHBondContact O-N 2.75Å; I244-S248 PolarHBondContact O-OG 3.27Å; S248-A250 PolarHBondContact O-N 2.93Å; S248-A250 WeakPolarHBondContact OG-CB 3.43Å; S248-A250 PolarHBondContact OG-N 3.3Å; S248-V251 WeakPolarHBondContact O-CG1 3.33Å; S248-V251 PolarHBondContact O-N 2.83Å; S248-V251 VanDerWaalsContact O-N 3.11Å; S248-A266 VanDerWaalsContact OG-CB 3.28Å; S248-A266 WeakPolarHBondContact OG-CB 3.19Å
249	P	85.6	Confident	87.9	Confident	78 Å²	78	43.6 Å²	43.6	51%	0.506	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-54.7	-13.6	169.7	-25.9	35.8	0	0	0	114.6	V251 L252 F267	P249-V251 PolarHBondContact O-N 3.33Å; P249-L252 VanDerWaalsContact O-CB 3.23Å; P249-L252 WeakPolarHBondContact O-CB 3.43Å; P249-L252 WeakPolarHBondContact O-CG 3.45Å; P249-L252 PolarHBondContact O-N 3.31Å; P249-F267 HydrophobicContact CB-CZ 4.25Å; P249-F267 WeakPolarHBondContact O-CE1 3.12Å; P249-F267 WeakPolarHBondContact O-CZ 3.14Å
250	A	87.1	Confident	88.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-59.5	-23.8	173.3	0	0	0	0	0	113.4	I244 S248 L252 I253 A266 L270	I244-A250 HydrophobicContact CG2-CB 3.85Å; S248-A250 PolarHBondContact O-N 2.93Å; S248-A250 WeakPolarHBondContact OG-CB 3.43Å; S248-A250 PolarHBondContact OG-N 3.3Å; A250-L252 PolarHBondContact O-N 3.14Å; A250-L252 VanDerWaalsContact O-N 3.08Å; A250-I253 HydrophobicContact CB-CD1 4.17Å; A250-I253 VanDerWaalsContact O-CB 3.27Å; A250-I253 WeakPolarHBondContact O-CB 3.27Å; A250-I253 WeakPolarHBondContact O-CD1 3.49Å; A250-I253 WeakPolarHBondContact O-CG1 3.25Å; A250-I253 PolarHBondContact O-N 3.38Å; A250-A266 HydrophobicContact CB-CB 4.25Å; A250-L270 HydrophobicContact CB-CD2 4.33Å
251	V	87	Confident	88.2	Confident	30 Å²	30	45.8 Å²	45.8	18%	0.182	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.7	173.6	74.6	0	0	0	0	112.3	L62 S248 P249 I253 N254	L62-V251 HydrophobicContact CD1-CG1 4.15Å; S248-V251 WeakPolarHBondContact O-CG1 3.33Å; S248-V251 PolarHBondContact O-N 2.83Å; S248-V251 VanDerWaalsContact O-N 3.11Å; P249-V251 PolarHBondContact O-N 3.33Å; V251-I253 PolarHBondContact O-N 3.14Å; V251-N254 WeakPolarHBondContact O-CB 3.44Å; V251-N254 PolarHBondContact O-N 2.93Å; V251-N254 VanDerWaalsContact O-N 3.17Å; V251-N254 PolarHBondContact O-ND2 3.11Å
252	L	88.4	Confident	88.4	Confident	22 Å²	22	47.7 Å²	47.7	12%	0.115	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-68.5	-16.1	178	-60.1	177.3	0	0	0	113.4	L63 P249 A250 N254 I255 F256 L259	L63-L252 HydrophobicContact CD2-CD1 3.58Å; L63-L252 HydrophobicContact CD2-CD2 3.52Å; L63-L252 HydrophobicContact CD2-CG 4.15Å; L63-L252 HydrophobicContact CG-CD2 3.96Å; P249-L252 VanDerWaalsContact O-CB 3.23Å; P249-L252 WeakPolarHBondContact O-CB 3.43Å; P249-L252 WeakPolarHBondContact O-CG 3.45Å; P249-L252 PolarHBondContact O-N 3.31Å; A250-L252 PolarHBondContact O-N 3.14Å; A250-L252 VanDerWaalsContact O-N 3.08Å; L252-N254 PolarHBondContact O-N 3.47Å; L252-I255 HydrophobicContact CD2-CD1 4.26Å; L252-I255 PolarHBondContact O-N 3.33Å; L252-F256 PolarHBondContact O-N 3.27Å; L252-L259 HydrophobicContact CB-CD1 3.56Å
253	I	91.1	Very high	88.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-57.1	-32.4	171.2	-63.5	166.5	0	0	0	110.2	P133 T134 I137 A250 V251 I255 F256 P257 L259 Y260 F267 L270	P133-I253 HydrophobicContact CB-CG2 4.48Å; T134-I253 VanDerWaalsContact OG1-CB 3.3Å; T134-I253 WeakPolarHBondContact OG1-CB 3.47Å; T134-I253 VanDerWaalsContact OG1-CG2 3.3Å; T134-I253 WeakPolarHBondContact OG1-CG2 3.12Å; I137-I253 HydrophobicContact CD1-CG2 3.97Å; A250-I253 HydrophobicContact CB-CD1 4.17Å; A250-I253 VanDerWaalsContact O-CB 3.27Å; A250-I253 WeakPolarHBondContact O-CB 3.27Å; A250-I253 WeakPolarHBondContact O-CD1 3.49Å; A250-I253 WeakPolarHBondContact O-CG1 3.25Å; A250-I253 PolarHBondContact O-N 3.38Å; V251-I253 PolarHBondContact O-N 3.14Å; I253-I255 PolarHBondContact O-N 2.99Å; I253-F256 CarbonylContact O-C 3.59Å; I253-F256 VanDerWaalsContact O-C 3.3Å; I253-F256 PolarHBondContact O-N 2.92Å; I253-P257 VanDerWaalsContact O-CA 3.25Å; I253-P257 WeakPolarHBondContact O-CA 3.28Å; I253-P257 VanDerWaalsContact O-N 3.16Å; I253-L259 HydrophobicContact CG1-CB 4.29Å; I253-Y260 HydrophobicContact CD1-CD2 4.23Å; I253-F267 HydrophobicContact CD1-CD1 3.96Å; I253-F267 HydrophobicContact CD1-CE1 4.36Å; I253-F267 HydrophobicContact CG1-CD1 3.87Å; I253-F267 HydrophobicContact CG1-CE1 3.86Å; I253-L270 HydrophobicContact CD1-CD2 3.75Å
254	N	89.4	Confident	89	Confident	40 Å²	40	55.4 Å²	55.4	21%	0.214	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-68.2	-18.3	177.7	-63.8	-38.2	0	0	0	113.5	V101 V132 T134 V251 L252	V101-N254 HydrophobicContact CG1-CB 4.28Å; V132-N254 WeakPolarHBondContact CG1-OD1 3.22Å; T134-N254 WeakPolarHBondContact CB-OD1 3.41Å; T134-N254 PolarHBondContact N-OD1 3.18Å; T134-N254 VanDerWaalsContact N-OD1 3.15Å; T134-N254 PolarHBondContact OG1-OD1 3.42Å; V251-N254 WeakPolarHBondContact O-CB 3.44Å; V251-N254 PolarHBondContact O-N 2.93Å; V251-N254 VanDerWaalsContact O-N 3.17Å; V251-N254 PolarHBondContact O-ND2 3.11Å; L252-N254 PolarHBondContact O-N 3.47Å
255	I	87.9	Confident	89.1	Confident	26 Å²	26	58 Å²	58	13%	0.133	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-44.9	174.6	-55	175.8	0	0	0	109.7	V101 L252 I253	V101-I255 HydrophobicContact CG1-CD1 4.42Å; V101-I255 HydrophobicContact CG1-CG1 3.9Å; L252-I255 HydrophobicContact CD2-CD1 4.26Å; L252-I255 PolarHBondContact O-N 3.33Å; I253-I255 PolarHBondContact O-N 2.99Å
256	F	90.2	Very high	89.5	Confident	92 Å²	92	57.2 Å²	57.2	40%	0.404	31%	0.312	S	S	.	.			trans	-127.2	89.8	-178.2	-59.5	-72.3	0	0	0	110.2	V55 L252 I253 L258 L259	V55-F256 HydrophobicContact CG1-CZ 4.45Å; L252-F256 PolarHBondContact O-N 3.27Å; I253-F256 CarbonylContact O-C 3.59Å; I253-F256 VanDerWaalsContact O-C 3.3Å; I253-F256 PolarHBondContact O-N 2.92Å; F256-L258 PolarHBondContact O-N 3.47Å; F256-L258 VanDerWaalsContact O-N 3.09Å; F256-L259 HydrophobicContact CB-CD1 3.85Å; F256-L259 HydrophobicContact CB-CG 3.86Å; F256-L259 HydrophobicContact CD2-CD1 4.46Å; F256-L259 WeakPolarHBondContact O-CB 3.18Å; F256-L259 VanDerWaalsContact O-CG 3.32Å; F256-L259 WeakPolarHBondContact O-CG 3.32Å; F256-L259 PolarHBondContact O-N 2.71Å
257	P	92.1	Very high	90.2	Very high	60 Å²	60	55 Å²	55	39%	0.39	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-59.1	-28.9	-173	-27.6	35.6	0	0	0	114.5	P133 I253 L259 Y260	P133-P257 HydrophobicContact CB-CB 4.15Å; P133-P257 HydrophobicContact CB-CG 3.77Å; P133-P257 HydrophobicContact CG-CG 3.94Å; I253-P257 VanDerWaalsContact O-CA 3.25Å; I253-P257 WeakPolarHBondContact O-CA 3.28Å; I253-P257 VanDerWaalsContact O-N 3.16Å; P257-L259 PolarHBondContact O-N 3.2Å; P257-L259 VanDerWaalsContact O-N 3.14Å; P257-Y260 VanDerWaalsContact O-CB 3.28Å; P257-Y260 WeakPolarHBondContact O-CB 3.39Å; P257-Y260 PolarHBondContact O-N 2.72Å
258	L	93.3	Very high	90.9	Very high	141 Å²	141	57.2 Å²	57.2	74%	0.738	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-60.7	-23	178.4	-65.7	176.2	0	0	0	113.5	F256 Y260 Y261	F256-L258 PolarHBondContact O-N 3.47Å; F256-L258 VanDerWaalsContact O-N 3.09Å; L258-Y260 PolarHBondContact O-N 3.2Å; L258-Y260 VanDerWaalsContact O-N 3.17Å; L258-Y261 PolarHBondContact O-N 3.14Å; L258-Y261 VanDerWaalsContact O-N 3.11Å
259	L	93	Very high	91.4	Very high	41 Å²	41	59.4 Å²	59.4	22%	0.215	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.8	-26.5	176.1	-63	179.2	0	0	0	112	L252 I253 F256 P257 Y261 L262 F267	L252-L259 HydrophobicContact CB-CD1 3.56Å; I253-L259 HydrophobicContact CG1-CB 4.29Å; F256-L259 HydrophobicContact CB-CD1 3.85Å; F256-L259 HydrophobicContact CB-CG 3.86Å; F256-L259 HydrophobicContact CD2-CD1 4.46Å; F256-L259 WeakPolarHBondContact O-CB 3.18Å; F256-L259 VanDerWaalsContact O-CG 3.32Å; F256-L259 WeakPolarHBondContact O-CG 3.32Å; F256-L259 PolarHBondContact O-N 2.71Å; P257-L259 PolarHBondContact O-N 3.2Å; P257-L259 VanDerWaalsContact O-N 3.14Å; L259-Y261 PolarHBondContact O-N 2.7Å; L259-Y261 VanDerWaalsContact O-N 3.12Å; L259-L262 HydrophobicContact CB-CD1 4.26Å; L259-L262 HydrophobicContact CD2-CD1 3.46Å; L259-L262 VanDerWaalsContact CD2-CD1 3.46Å; L259-L262 HydrophobicContact CD2-CG 4.49Å; L259-L262 HydrophobicContact CG-CD1 4.47Å; L259-L262 WeakPolarHBondContact O-CB 3.18Å; L259-L262 PolarHBondContact O-N 2.83Å; L259-L262 VanDerWaalsContact O-N 3.1Å; L259-F267 HydrophobicContact CB-CD1 4.04Å; L259-F267 HydrophobicContact CB-CE1 3.59Å; L259-F267 HydrophobicContact CB-CE2 4.46Å; L259-F267 HydrophobicContact CB-CZ 3.83Å; L259-F267 HydrophobicContact CD1-CE1 4.28Å; L259-F267 HydrophobicContact CD1-CZ 4.02Å; L259-F267 HydrophobicContact CG-CZ 4.38Å; L259-F267 WeakPolarHBondContact O-CB 3.33Å; L259-F267 VanDerWaalsContact O-CD1 3.29Å; L259-F267 WeakPolarHBondContact O-CD1 3.39Å; L259-F267 WeakPolarHBondContact O-CG 3.45Å
260	Y	94.2	Very high	91.7	Very high	21 Å²	21	55.9 Å²	55.9	8%	0.082	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-56	-28.9	176.3	169.6	-93.6	0	0	0	112.6	I137 L138 I253 P257 L258 L270 R271 E274	I137-Y260 HydrophobicContact CD1-CD1 4.43Å; I137-Y260 HydrophobicContact CD1-CD2 4.48Å; I137-Y260 HydrophobicContact CD1-CG 4.04Å; I137-Y260 HydrophobicContact CG2-CD1 3.96Å; I137-Y260 HydrophobicContact CG2-CD2 3.77Å; I137-Y260 HydrophobicContact CG2-CE1 3.75Å; I137-Y260 HydrophobicContact CG2-CE2 3.52Å; I137-Y260 HydrophobicContact CG2-CG 3.98Å; L138-Y260 HydrophobicContact CD2-CE2 4.44Å; I253-Y260 HydrophobicContact CD1-CD2 4.23Å; P257-Y260 VanDerWaalsContact O-CB 3.28Å; P257-Y260 WeakPolarHBondContact O-CB 3.39Å; P257-Y260 PolarHBondContact O-N 2.72Å; L258-Y260 PolarHBondContact O-N 3.2Å; L258-Y260 VanDerWaalsContact O-N 3.17Å; Y260-L270 HydrophobicContact CD2-CD2 4.48Å; Y260-R271 HydrophobicContact CD2-CG 4.15Å; Y260-R271 HydrophobicContact CE1-CG 3.98Å; Y260-R271 HydrophobicContact CE2-CG 3.56Å; Y260-R271 VanDerWaalsContact CZ-CG 3.46Å; Y260-R271 VanDerWaalsContact O-CD 3.23Å; Y260-R271 WeakPolarHBondContact O-CD 3.43Å; Y260-R271 PolarHBondContact O-NH1 3.09Å; Y260-E274 WeakPolarHBondContact CE2-OE2 3.34Å; Y260-E274 PolarHBondContact OH-OE2 2.88Å
261	Y	93.9	Very high	92.1	Very high	151 Å²	151	58.6 Å²	58.6	59%	0.592	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-89.3	-3.6	-177.6	-61.3	-76.3	0	0	0	114.2	L258 L259 R271	L258-Y261 PolarHBondContact O-N 3.14Å; L258-Y261 VanDerWaalsContact O-N 3.11Å; L259-Y261 PolarHBondContact O-N 2.7Å; L259-Y261 VanDerWaalsContact O-N 3.12Å; Y261-R271 PolarHBondContact O-NH2 2.67Å
262	L	94.3	Very high	92.4	Very high	51 Å²	51	63.1 Å²	63.1	27%	0.267	31%	0.31	S	S	.	.			trans	-67	133.9	-176.2	-68.6	176.3	0	0	0	112.2	L259 F264 F267 R271	L259-L262 HydrophobicContact CB-CD1 4.26Å; L259-L262 HydrophobicContact CD2-CD1 3.46Å; L259-L262 VanDerWaalsContact CD2-CD1 3.46Å; L259-L262 HydrophobicContact CD2-CG 4.49Å; L259-L262 HydrophobicContact CG-CD1 4.47Å; L259-L262 WeakPolarHBondContact O-CB 3.18Å; L259-L262 PolarHBondContact O-N 2.83Å; L259-L262 VanDerWaalsContact O-N 3.1Å; L262-F264 HydrophobicContact CB-CD1 4.41Å; L262-F264 HydrophobicContact CB-CE1 4.03Å; L262-F264 HydrophobicContact CB-CZ 4.1Å; L262-F264 HydrophobicContact CD1-CE1 4.36Å; L262-F264 HydrophobicContact CD1-CE2 4.23Å; L262-F264 HydrophobicContact CD1-CZ 3.73Å; L262-F264 HydrophobicContact CD2-CE1 4.11Å; L262-F264 HydrophobicContact CD2-CZ 4.25Å; L262-F264 HydrophobicContact CG-CE1 4.4Å; L262-F264 HydrophobicContact CG-CZ 4.26Å; L262-F264 PolarHBondContact O-N 3.45Å; L262-F264 VanDerWaalsContact O-N 3.1Å; L262-F267 HydrophobicContact CB-CB 4.24Å; L262-F267 HydrophobicContact CB-CD2 4.03Å; L262-F267 HydrophobicContact CB-CG 4.35Å; L262-F267 HydrophobicContact CD1-CD2 4.04Å; L262-F267 HydrophobicContact CD1-CE2 4.07Å; L262-R271 VanDerWaalsContact O-CZ 3.27Å; L262-R271 PolarHBondContact O-NH1 3.4Å; L262-R271 PolarHBondContact O-NH2 2.82Å
263	P	94.1	Very high	92.7	Very high	87 Å²	87	62.4 Å²	62.4	57%	0.565	31%	0.307	S	S	*	.	S	Bend	trans	-82.1	19.8	-171.5	34.7	-37.6	0	0	0	114.5	R268	P263-R268 WeakPolarHBondContact O-CD 3.43Å
264	F	92.9	Very high	92.8	Very high	121 Å²	121	64.4 Å²	64.4	53%	0.531	32%	0.316	S	S	.	.	S	Bend	trans	-138.4	161.6	-176	54.9	-98.9	0	0	0	113.2	L262 R268	L262-F264 HydrophobicContact CB-CD1 4.41Å; L262-F264 HydrophobicContact CB-CE1 4.03Å; L262-F264 HydrophobicContact CB-CZ 4.1Å; L262-F264 HydrophobicContact CD1-CE1 4.36Å; L262-F264 HydrophobicContact CD1-CE2 4.23Å; L262-F264 HydrophobicContact CD1-CZ 3.73Å; L262-F264 HydrophobicContact CD2-CE1 4.11Å; L262-F264 HydrophobicContact CD2-CZ 4.25Å; L262-F264 HydrophobicContact CG-CE1 4.4Å; L262-F264 HydrophobicContact CG-CZ 4.26Å; L262-F264 PolarHBondContact O-N 3.45Å; L262-F264 VanDerWaalsContact O-N 3.1Å; F264-R268 PolarHBondContact O-N 2.99Å
265	G	91.8	Very high	93.1	Very high	55 Å²	55	68.8 Å²	68.8	57%	0.567	33%	0.33	S	S	*	.	H	α-helix	trans	56.2	-145.8	174.8	0	0	0	0	0	114.1	F267 R268 E269	G265-F267 PolarHBondContact O-N 2.87Å; G265-R268 PolarHBondContact O-N 2.97Å; G265-E269 PolarHBondContact O-N 3.32Å; G265-E269 VanDerWaalsContact O-N 3.13Å
266	A	91.2	Very high	93.5	Very high	12 Å²	12	69.6 Å²	69.6	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-27.8	-177.7	0	0	0	0	0	113.7	I244 S248 A250 E269 L270	I244-A266 HydrophobicContact CG2-CB 4.31Å; S248-A266 VanDerWaalsContact OG-CB 3.28Å; S248-A266 WeakPolarHBondContact OG-CB 3.19Å; A250-A266 HydrophobicContact CB-CB 4.25Å; A266-E269 PolarHBondContact O-N 3.29Å; A266-L270 WeakPolarHBondContact O-CB 3.43Å; A266-L270 PolarHBondContact O-N 3.23Å
267	F	93.5	Very high	93.6	Very high	15 Å²	15	66.2 Å²	66.2	7%	0.066	32%	0.32	C	S	.	.	H	α-helix	trans	-68.6	-44.9	178.1	-50.6	-66.7	0	0	0	111.5	P249 I253 L259 L262 G265 E269 R271	P249-F267 HydrophobicContact CB-CZ 4.25Å; P249-F267 WeakPolarHBondContact O-CE1 3.12Å; P249-F267 WeakPolarHBondContact O-CZ 3.14Å; I253-F267 HydrophobicContact CD1-CD1 3.96Å; I253-F267 HydrophobicContact CD1-CE1 4.36Å; I253-F267 HydrophobicContact CG1-CD1 3.87Å; I253-F267 HydrophobicContact CG1-CE1 3.86Å; L259-F267 HydrophobicContact CB-CD1 4.04Å; L259-F267 HydrophobicContact CB-CE1 3.59Å; L259-F267 HydrophobicContact CB-CE2 4.46Å; L259-F267 HydrophobicContact CB-CZ 3.83Å; L259-F267 HydrophobicContact CD1-CE1 4.28Å; L259-F267 HydrophobicContact CD1-CZ 4.02Å; L259-F267 HydrophobicContact CG-CZ 4.38Å; L259-F267 WeakPolarHBondContact O-CB 3.33Å; L259-F267 VanDerWaalsContact O-CD1 3.29Å; L259-F267 WeakPolarHBondContact O-CD1 3.39Å; L259-F267 WeakPolarHBondContact O-CG 3.45Å; L262-F267 HydrophobicContact CB-CB 4.24Å; L262-F267 HydrophobicContact CB-CD2 4.03Å; L262-F267 HydrophobicContact CB-CG 4.35Å; L262-F267 HydrophobicContact CD1-CD2 4.04Å; L262-F267 HydrophobicContact CD1-CE2 4.07Å; G265-F267 PolarHBondContact O-N 2.87Å; F267-E269 VanDerWaalsContact C-N 3.34Å; F267-R271 VanDerWaalsContact C-NH1 3.31Å; F267-R271 WeakPolarHBondContact O-CG 3.47Å; F267-R271 PolarHBondContact O-N 3.48Å; F267-R271 PolarHBondContact O-NH1 3.16Å
268	R	94.4	Very high	93.8	Very high	138 Å²	138	65.1 Å²	65.1	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-41.7	173.7	179.8	-176.1	-180	-178.8	2	111.2	P263 F264 G265 R271 R272	P263-R268 WeakPolarHBondContact O-CD 3.43Å; F264-R268 PolarHBondContact O-N 2.99Å; G265-R268 PolarHBondContact O-N 2.97Å; R268-R271 PolarHBondContact O-N 2.76Å; R268-R272 PolarHBondContact O-N 2.69Å
269	E	93.7	Very high	94	Very high	66 Å²	66	62.4 Å²	62.4	31%	0.308	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-48.4	178.7	-163.8	-177.5	172.2	0	0	110.9	R240 I244 G265 A266 F267 R271 R272 V273	R240-E269 IonicContact CZ-OE1 3.88Å; R240-E269 IonicContact NE-OE1 2.67Å; R240-E269 PolarHBondContact NE-OE1 3.42Å; R240-E269 IonicContact NH2-OE1 2.82Å; R240-E269 PolarHBondContact NH2-OE1 3.33Å; R240-E269 VanDerWaalsContact NH2-OE1 3.09Å; R240-E269 IonicContact NH2-OE2 3.3Å; R240-E269 PolarHBondContact NH2-OE2 2.9Å; I244-E269 HydrophobicContact CD1-CB 4.18Å; I244-E269 HydrophobicContact CD1-CG 3.56Å; I244-E269 WeakPolarHBondContact CD1-OE1 3.5Å; G265-E269 PolarHBondContact O-N 3.32Å; G265-E269 VanDerWaalsContact O-N 3.13Å; A266-E269 PolarHBondContact O-N 3.29Å; F267-E269 VanDerWaalsContact C-N 3.34Å; E269-R271 PolarHBondContact O-N 3.23Å; E269-R272 WeakPolarHBondContact O-CB 3.37Å; E269-R272 PolarHBondContact O-N 3.39Å; E269-R272 VanDerWaalsContact O-N 3.1Å; E269-V273 WeakPolarHBondContact O-CG2 3.26Å; E269-V273 PolarHBondContact O-N 3.41Å
270	L	93.4	Very high	94.1	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-45.8	177.3	-176.8	60.8	0	0	0	112.3	T134 L138 I244 A250 I253 Y260 A266 R272 V273 E274	T134-L270 HydrophobicContact CG2-CD2 4.25Å; L138-L270 HydrophobicContact CD1-CD1 4.28Å; L138-L270 HydrophobicContact CD2-CD1 4.48Å; L138-L270 HydrophobicContact CD2-CG 4.47Å; I244-L270 HydrophobicContact CG2-CB 4.13Å; I244-L270 HydrophobicContact CG2-CD1 4.43Å; A250-L270 HydrophobicContact CB-CD2 4.33Å; I253-L270 HydrophobicContact CD1-CD2 3.75Å; Y260-L270 HydrophobicContact CD2-CD2 4.48Å; A266-L270 WeakPolarHBondContact O-CB 3.43Å; A266-L270 PolarHBondContact O-N 3.23Å; L270-R272 VanDerWaalsContact C-N 3.29Å; L270-R272 PolarHBondContact O-N 2.72Å; L270-V273 PolarHBondContact O-N 2.91Å; L270-E274 PolarHBondContact O-N 3.36Å
271	R	94.5	Very high	94.1	Very high	57 Å²	57	59.9 Å²	59.9	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-33.5	176.3	-69.2	-159	-55.7	-67	3.9	113	Y260 Y261 L262 F267 R268 E269 R275	Y260-R271 HydrophobicContact CD2-CG 4.15Å; Y260-R271 HydrophobicContact CE1-CG 3.98Å; Y260-R271 HydrophobicContact CE2-CG 3.56Å; Y260-R271 VanDerWaalsContact CZ-CG 3.46Å; Y260-R271 VanDerWaalsContact O-CD 3.23Å; Y260-R271 WeakPolarHBondContact O-CD 3.43Å; Y260-R271 PolarHBondContact O-NH1 3.09Å; Y261-R271 PolarHBondContact O-NH2 2.67Å; L262-R271 VanDerWaalsContact O-CZ 3.27Å; L262-R271 PolarHBondContact O-NH1 3.4Å; L262-R271 PolarHBondContact O-NH2 2.82Å; F267-R271 VanDerWaalsContact C-NH1 3.31Å; F267-R271 WeakPolarHBondContact O-CG 3.47Å; F267-R271 PolarHBondContact O-N 3.48Å; F267-R271 PolarHBondContact O-NH1 3.16Å; R268-R271 PolarHBondContact O-N 2.76Å; E269-R271 PolarHBondContact O-N 3.23Å; R271-R275 VanDerWaalsContact O-CB 3.3Å; R271-R275 WeakPolarHBondContact O-CB 3.33Å; R271-R275 PolarHBondContact O-N 2.85Å
272	R	94.2	Very high	94.2	Very high	125 Å²	125	58.3 Å²	58.3	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-48.5	175.4	178.5	-177.1	-73.6	172.3	-7.9	110.3	R268 E269 L270 E274 R275 D276	R268-R272 PolarHBondContact O-N 2.69Å; E269-R272 WeakPolarHBondContact O-CB 3.37Å; E269-R272 PolarHBondContact O-N 3.39Å; E269-R272 VanDerWaalsContact O-N 3.1Å; L270-R272 VanDerWaalsContact C-N 3.29Å; L270-R272 PolarHBondContact O-N 2.72Å; R272-E274 PolarHBondContact O-N 3.39Å; R272-R275 PolarHBondContact O-N 3.41Å; R272-D276 VanDerWaalsContact CG-OD2 3.23Å; R272-D276 WeakPolarHBondContact CG-OD2 3.46Å; R272-D276 PolarHBondContact O-N 2.98Å
273	V	93.5	Very high	94.3	Very high	8 Å²	8	61.3 Å²	61.3	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-54.8	-51.9	176.4	171	0	0	0	0	110.5	L237 I244 E269 L270 R275 D276 I277	L237-V273 HydrophobicContact CB-CG1 4.41Å; L237-V273 HydrophobicContact CD2-CG2 3.77Å; L237-V273 WeakPolarHBondContact O-CG1 3.23Å; I244-V273 HydrophobicContact CD1-CG2 4.37Å; E269-V273 WeakPolarHBondContact O-CG2 3.26Å; E269-V273 PolarHBondContact O-N 3.41Å; L270-V273 PolarHBondContact O-N 2.91Å; V273-R275 PolarHBondContact O-N 3.25Å; V273-D276 PolarHBondContact O-N 3.27Å; V273-I277 HydrophobicContact CG1-CD1 3.74Å; V273-I277 WeakPolarHBondContact O-CG1 3.33Å; V273-I277 PolarHBondContact O-N 3.08Å
274	E	93.9	Very high	94.4	Very high	41 Å²	41	57.7 Å²	57.7	19%	0.192	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-47.3	177.9	-178.1	-170.7	176.2	0	0	111.9	L138 Y260 L270 R272 T278	L138-E274 HydrophobicContact CD2-CB 3.98Å; L138-E274 HydrophobicContact CD2-CG 3.86Å; L138-E274 WeakPolarHBondContact CD2-OE2 3.43Å; Y260-E274 WeakPolarHBondContact CE2-OE2 3.34Å; Y260-E274 PolarHBondContact OH-OE2 2.88Å; L270-E274 PolarHBondContact O-N 3.36Å; R272-E274 PolarHBondContact O-N 3.39Å; E274-T278 VanDerWaalsContact O-CB 3.24Å; E274-T278 WeakPolarHBondContact O-CB 3.21Å; E274-T278 PolarHBondContact O-N 3.47Å; E274-T278 PolarHBondContact O-OG1 2.9Å
275	R	95.4	Very high	94.5	Very high	132 Å²	132	52.1 Å²	52.1	50%	0.498	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-47.5	-179.4	-176.1	-174	59.1	66.7	13.4	111.9	R271 R272 V273 T278 V279	R271-R275 VanDerWaalsContact O-CB 3.3Å; R271-R275 WeakPolarHBondContact O-CB 3.33Å; R271-R275 PolarHBondContact O-N 2.85Å; R272-R275 PolarHBondContact O-N 3.41Å; V273-R275 PolarHBondContact O-N 3.25Å; R275-T278 WeakPolarHBondContact O-CB 3.44Å; R275-T278 PolarHBondContact O-N 2.88Å; R275-V279 HydrophobicContact CG-CG2 4.44Å; R275-V279 VanDerWaalsContact O-CG2 3.22Å; R275-V279 WeakPolarHBondContact O-CG2 3.47Å; R275-V279 PolarHBondContact O-N 3.45Å
276	D	95.3	Very high	94.8	Very high	44 Å²	44	55.1 Å²	55.1	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-40.7	-174.8	-70.7	-32.7	0	0	0	111.5	L237 R272 V273 T278 V279 F280	L237-D276 HydrophobicContact CD1-CB 3.79Å; R272-D276 VanDerWaalsContact CG-OD2 3.23Å; R272-D276 WeakPolarHBondContact CG-OD2 3.46Å; R272-D276 PolarHBondContact O-N 2.98Å; V273-D276 PolarHBondContact O-N 3.27Å; D276-T278 VanDerWaalsContact C-N 3.32Å; D276-T278 PolarHBondContact O-N 3.23Å; D276-V279 PolarHBondContact O-N 2.87Å; D276-F280 WeakPolarHBondContact O-CB 3.24Å; D276-F280 PolarHBondContact O-N 2.89Å
277	I	94.1	Very high	95	Very high	21 Å²	21	57.5 Å²	57.5	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-42.1	171.2	-66.5	172.5	0	0	0	110.5	M238 V273 V279 F280 L281	M238-I277 HydrophobicContact CG-CD1 3.87Å; M238-I277 HydrophobicContact CG-CG1 4.47Å; V273-I277 HydrophobicContact CG1-CD1 3.74Å; V273-I277 WeakPolarHBondContact O-CG1 3.33Å; V273-I277 PolarHBondContact O-N 3.08Å; I277-V279 PolarHBondContact O-N 3.35Å; I277-F280 PolarHBondContact O-N 3.27Å; I277-L281 HydrophobicContact CG2-CD1 3.91Å; I277-L281 HydrophobicContact CG2-CG 4.28Å; I277-L281 WeakPolarHBondContact O-CG 3.45Å; I277-L281 PolarHBondContact O-N 3.43Å
278	T	95.1	Very high	95.2	Very high	36 Å²	36	57.2 Å²	57.2	22%	0.221	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-46.6	178.7	-62.8	0	0	0	0	111.8	E274 R275 D276 K282 F327	E274-T278 VanDerWaalsContact O-CB 3.24Å; E274-T278 WeakPolarHBondContact O-CB 3.21Å; E274-T278 PolarHBondContact O-N 3.47Å; E274-T278 PolarHBondContact O-OG1 2.9Å; R275-T278 WeakPolarHBondContact O-CB 3.44Å; R275-T278 PolarHBondContact O-N 2.88Å; D276-T278 VanDerWaalsContact C-N 3.32Å; D276-T278 PolarHBondContact O-N 3.23Å; T278-K282 HydrophobicContact CG2-CD 4.01Å; T278-K282 HydrophobicContact CG2-CG 4.36Å; T278-K282 WeakPolarHBondContact O-CB 3.44Å; T278-K282 WeakPolarHBondContact O-CG 3.27Å; T278-K282 PolarHBondContact O-N 3.3Å; T278-F327 HydrophobicContact CG2-CE2 3.94Å; T278-F327 HydrophobicContact CG2-CZ 3.8Å
279	V	96.6	Very high	95.2	Very high	84 Å²	84	53.4 Å²	53.4	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-46.3	179.4	170.8	0	0	0	0	110.4	R275 D276 I277 K283	R275-V279 HydrophobicContact CG-CG2 4.44Å; R275-V279 VanDerWaalsContact O-CG2 3.22Å; R275-V279 WeakPolarHBondContact O-CG2 3.47Å; R275-V279 PolarHBondContact O-N 3.45Å; D276-V279 PolarHBondContact O-N 2.87Å; I277-V279 PolarHBondContact O-N 3.35Å; V279-K283 WeakPolarHBondContact O-CB 3.49Å; V279-K283 PolarHBondContact O-N 2.88Å
280	F	95.3	Very high	95.3	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-51.3	179	177.5	-101.4	0	0	0	112.2	F224 E230 F231 I234 D276 I277 K282 K283 I284 F334	F224-F280 HydrophobicContact CE1-CE2 4.48Å; F224-F280 HydrophobicContact CE1-CZ 4.21Å; F224-F280 AromaticContact CZ-CZ 3.91Å; F224-F280 HydrophobicContact CZ-CZ 3.91Å; E230-F280 HydrophobicContact CG-CD2 4.33Å; E230-F280 HydrophobicContact CG-CE2 4.46Å; F231-F280 HydrophobicContact CD2-CZ 4.01Å; F231-F280 HydrophobicContact CE2-CZ 4.46Å; I234-F280 HydrophobicContact CD1-CB 3.64Å; I234-F280 HydrophobicContact CD1-CD1 4.37Å; I234-F280 HydrophobicContact CD1-CD2 4.25Å; I234-F280 HydrophobicContact CD1-CG 3.85Å; I234-F280 HydrophobicContact CG1-CB 4.14Å; I234-F280 HydrophobicContact CG1-CD1 4.14Å; I234-F280 HydrophobicContact CG1-CD2 3.82Å; I234-F280 HydrophobicContact CG1-CE2 4.22Å; I234-F280 HydrophobicContact CG1-CG 3.77Å; I234-F280 HydrophobicContact CG2-CD1 4.05Å; I234-F280 HydrophobicContact CG2-CE1 4.18Å; D276-F280 WeakPolarHBondContact O-CB 3.24Å; D276-F280 PolarHBondContact O-N 2.89Å; I277-F280 PolarHBondContact O-N 3.27Å; F280-K282 PolarHBondContact O-N 3.37Å; F280-K283 PolarHBondContact O-N 2.96Å; F280-I284 HydrophobicContact CD1-CD1 3.98Å; F280-I284 HydrophobicContact CD2-CD1 4.45Å; F280-I284 HydrophobicContact CE1-CD1 3.47Å; F280-I284 VanDerWaalsContact CE1-CD1 3.47Å; F280-I284 HydrophobicContact CE2-CD1 4Å; F280-I284 HydrophobicContact CG-CD1 4.45Å; F280-I284 HydrophobicContact CZ-CD1 3.49Å; F280-I284 VanDerWaalsContact CZ-CD1 3.49Å; F280-I284 WeakPolarHBondContact O-CG1 3.21Å; F280-I284 PolarHBondContact O-N 2.96Å; F280-F334 HydrophobicContact CD1-CE1 4.48Å; F280-F334 AromaticContact CE1-CE1 3.92Å; F280-F334 HydrophobicContact CE1-CE1 3.92Å
281	L	95.1	Very high	95.5	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-40.3	-178.6	-67.9	-179.3	0	0	0	112.6	I277 I284 I285 F327 I330 F334	I277-L281 HydrophobicContact CG2-CD1 3.91Å; I277-L281 HydrophobicContact CG2-CG 4.28Å; I277-L281 WeakPolarHBondContact O-CG 3.45Å; I277-L281 PolarHBondContact O-N 3.43Å; L281-I284 PolarHBondContact O-N 3.31Å; L281-I285 WeakPolarHBondContact O-CG1 3.26Å; L281-I285 PolarHBondContact O-N 3.48Å; L281-F327 HydrophobicContact CB-CD2 4.04Å; L281-F327 HydrophobicContact CB-CE2 3.82Å; L281-F327 HydrophobicContact CD1-CE2 4.1Å; L281-I330 HydrophobicContact CD2-CG2 3.91Å; L281-F334 HydrophobicContact CD2-CD1 4.11Å
282	K	96.2	Very high	95.5	Very high	117 Å²	117	58.4 Å²	58.4	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-42.1	177.8	-77.5	-171.4	173.6	-167.8	0	112.3	T278 F280 I284 I285 E286 F327	T278-K282 HydrophobicContact CG2-CD 4.01Å; T278-K282 HydrophobicContact CG2-CG 4.36Å; T278-K282 WeakPolarHBondContact O-CB 3.44Å; T278-K282 WeakPolarHBondContact O-CG 3.27Å; T278-K282 PolarHBondContact O-N 3.3Å; F280-K282 PolarHBondContact O-N 3.37Å; K282-I284 PolarHBondContact O-N 3.4Å; K282-I285 PolarHBondContact O-N 3.25Å; K282-E286 VanDerWaalsContact O-CB 3.29Å; K282-E286 WeakPolarHBondContact O-CB 3.49Å; K282-E286 PolarHBondContact O-N 3.21Å; K282-F327 HydrophobicContact CG-CD2 4.07Å; K282-F327 HydrophobicContact CG-CE2 4.21Å
283	K	96.2	Very high	95.6	Very high	114 Å²	114	56 Å²	56	50%	0.496	29%	0.289	S	S	.	.	H	α-helix	trans	-56.1	-39.5	174.2	178.3	-175.7	171.5	-167.8	0	111.5	E230 V279 F280 S287	E230-K283 IonicContact OE1-NZ 3.69Å; E230-K283 PolarHBondContact OE1-NZ 3.21Å; E230-K283 IonicContact OE2-NZ 3.58Å; E230-K283 PolarHBondContact OE2-NZ 2.87Å; V279-K283 WeakPolarHBondContact O-CB 3.49Å; V279-K283 PolarHBondContact O-N 2.88Å; F280-K283 PolarHBondContact O-N 2.96Å; K283-S287 WeakPolarHBondContact O-CB 3.4Å; K283-S287 PolarHBondContact O-N 3.01Å
284	I	95.1	Very high	95.5	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.062	31%	0.311	C	S	.	.	H	α-helix	trans	-72.5	-45.3	179.3	-63.5	172.2	0	0	0	111.3	L220 F224 F280 L281 K282 E286 S287 H288	L220-I284 HydrophobicContact CB-CG2 4.27Å; L220-I284 HydrophobicContact CD1-CD1 4.01Å; L220-I284 HydrophobicContact CD1-CG2 4.42Å; L220-I284 HydrophobicContact CD2-CG2 3.82Å; L220-I284 HydrophobicContact CG-CG2 4.38Å; F224-I284 HydrophobicContact CZ-CD1 4.27Å; F280-I284 HydrophobicContact CD1-CD1 3.98Å; F280-I284 HydrophobicContact CD2-CD1 4.45Å; F280-I284 HydrophobicContact CE1-CD1 3.47Å; F280-I284 VanDerWaalsContact CE1-CD1 3.47Å; F280-I284 HydrophobicContact CE2-CD1 4Å; F280-I284 HydrophobicContact CG-CD1 4.45Å; F280-I284 HydrophobicContact CZ-CD1 3.49Å; F280-I284 VanDerWaalsContact CZ-CD1 3.49Å; F280-I284 WeakPolarHBondContact O-CG1 3.21Å; F280-I284 PolarHBondContact O-N 2.96Å; L281-I284 PolarHBondContact O-N 3.31Å; K282-I284 PolarHBondContact O-N 3.4Å; I284-E286 VanDerWaalsContact C-N 3.32Å; I284-E286 PolarHBondContact O-N 2.96Å; I284-S287 WeakPolarHBondContact O-CB 3.26Å; I284-S287 PolarHBondContact O-N 3.31Å; I284-H288 PolarHBondContact O-N 2.81Å; I284-H288 PolarHBondContact O-ND1 3.17Å
285	I	96.1	Very high	95.5	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-42.4	177.7	-67.7	166.9	0	0	0	110.8	L281 K282 S287 H288 S289 E323 L326 F327	L281-I285 WeakPolarHBondContact O-CG1 3.26Å; L281-I285 PolarHBondContact O-N 3.48Å; K282-I285 PolarHBondContact O-N 3.25Å; I285-S287 VanDerWaalsContact C-N 3.34Å; I285-S287 PolarHBondContact O-N 3.24Å; I285-H288 PolarHBondContact O-N 2.85Å; I285-H288 VanDerWaalsContact O-N 3.14Å; I285-S289 PolarHBondContact O-N 3.23Å; I285-E323 HydrophobicContact CG2-CG 3.87Å; I285-L326 HydrophobicContact CG2-CD2 4.37Å; I285-F327 HydrophobicContact CD1-CB 4Å; I285-F327 HydrophobicContact CD1-CD2 4.3Å
286	E	96.9	Very high	95.4	Very high	119 Å²	119	63.6 Å²	63.6	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-60.6	-43.3	174.8	-177.5	175.8	-164.6	0	0	111.3	K282 I284 H288 S289 N290	K282-E286 VanDerWaalsContact O-CB 3.29Å; K282-E286 WeakPolarHBondContact O-CB 3.49Å; K282-E286 PolarHBondContact O-N 3.21Å; I284-E286 VanDerWaalsContact C-N 3.32Å; I284-E286 PolarHBondContact O-N 2.96Å; E286-H288 VanDerWaalsContact C-N 3.3Å; E286-H288 PolarHBondContact O-N 2.82Å; E286-S289 PolarHBondContact O-N 2.82Å; E286-N290 WeakPolarHBondContact O-CB 3.4Å; E286-N290 VanDerWaalsContact O-CG 3.3Å; E286-N290 PolarHBondContact O-N 3.06Å; E286-N290 PolarHBondContact O-ND2 3.38Å
287	S	96.5	Very high	95.3	Very high	62 Å²	62	63.1 Å²	63.1	43%	0.434	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-39.4	173.8	-172.5	0	0	0	0	112.4	K283 I284 I285 T291	K283-S287 WeakPolarHBondContact O-CB 3.4Å; K283-S287 PolarHBondContact O-N 3.01Å; I284-S287 WeakPolarHBondContact O-CB 3.26Å; I284-S287 PolarHBondContact O-N 3.31Å; I285-S287 VanDerWaalsContact C-N 3.34Å; I285-S287 PolarHBondContact O-N 3.24Å; S287-T291 WeakPolarHBondContact O-CB 3.29Å; S287-T291 WeakPolarHBondContact O-CG2 3.4Å; S287-T291 PolarHBondContact O-N 3.08Å; S287-T291 PolarHBondContact O-OG1 3.16Å
288	H	96.9	Very high	95.3	Very high	8 Å²	8	66.6 Å²	66.6	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-67.2	-46	177.2	-75.1	66.5	0	0	0	111	L220 I284 I285 E286 N290 T291 L292 D299 T301 D302 L305	L220-H288 PolarHBondContact O-CE1 2.67Å; L220-H288 VanDerWaalsContact O-CE1 3.31Å; L220-H288 PolarHBondContact O-NE2 3.12Å; L220-H288 VanDerWaalsContact O-NE2 3.15Å; I284-H288 PolarHBondContact O-N 2.81Å; I284-H288 PolarHBondContact O-ND1 3.17Å; I285-H288 PolarHBondContact O-N 2.85Å; I285-H288 VanDerWaalsContact O-N 3.14Å; E286-H288 VanDerWaalsContact C-N 3.3Å; E286-H288 PolarHBondContact O-N 2.82Å; H288-N290 VanDerWaalsContact C-N 3.29Å; H288-N290 PolarHBondContact O-N 3.28Å; H288-T291 CarbonylContact O-C 3.59Å; H288-T291 PolarHBondContact O-N 3.35Å; H288-T291 VanDerWaalsContact O-N 3.11Å; H288-L292 WeakPolarHBondContact O-CA 3.36Å; H288-L292 WeakPolarHBondContact O-CB 3.28Å; H288-L292 PolarHBondContact O-N 2.9Å; H288-D299 IonicContact CD2-OD1 2.72Å; H288-D299 IonicContact CD2-OD2 3.46Å; H288-D299 IonicContact NE2-OD1 3.29Å; H288-D299 IonicContact NE2-OD2 3.54Å; H288-D299 PolarHBondContact NE2-OD2 3.29Å; H288-T301 HydrophobicContact CB-CG2 3.63Å; H288-D302 IonicContact CD2-OD1 3.45Å; H288-D302 PolarHBondContact CD2-OD1 3.14Å; H288-D302 IonicContact CG-OD1 3.66Å; H288-L305 HydrophobicContact CB-CD1 4.03Å
289	S	95	Very high	95.4	Very high	59 Å²	59	64.9 Å²	64.9	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-55.9	-43.5	176.3	-168.6	0	0	0	0	112.2	I285 E286 T291	I285-S289 PolarHBondContact O-N 3.23Å; E286-S289 PolarHBondContact O-N 2.82Å; S289-T291 VanDerWaalsContact C-N 3.33Å; S289-T291 PolarHBondContact O-N 3.37Å
290	N	96.4	Very high	95.4	Very high	123 Å²	123	60.9 Å²	60.9	66%	0.658	32%	0.321	S	S	*	.	H	α-helix	trans	-72.5	-22	180	-70.1	-28.5	0	0	0	114.3	E286 H288	E286-N290 WeakPolarHBondContact O-CB 3.4Å; E286-N290 VanDerWaalsContact O-CG 3.3Å; E286-N290 PolarHBondContact O-N 3.06Å; E286-N290 PolarHBondContact O-ND2 3.38Å; H288-N290 VanDerWaalsContact C-N 3.29Å; H288-N290 PolarHBondContact O-N 3.28Å
291	T	96.4	Very high	95.5	Very high	70 Å²	70	60.5 Å²	60.5	43%	0.429	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	16.1	-175.2	59.9	0	0	0	0	112.7	S287 H288 S289 D293 R298	S287-T291 WeakPolarHBondContact O-CB 3.29Å; S287-T291 WeakPolarHBondContact O-CG2 3.4Å; S287-T291 PolarHBondContact O-N 3.08Å; S287-T291 PolarHBondContact O-OG1 3.16Å; H288-T291 CarbonylContact O-C 3.59Å; H288-T291 PolarHBondContact O-N 3.35Å; H288-T291 VanDerWaalsContact O-N 3.11Å; S289-T291 VanDerWaalsContact C-N 3.33Å; S289-T291 PolarHBondContact O-N 3.37Å; T291-D293 PolarHBondContact O-N 3.5Å; T291-R298 PolarHBondContact OG1-NH1 3.04Å; T291-R298 PolarHBondContact OG1-NH2 3.44Å; T291-R298 VanDerWaalsContact OG1-NH2 3.14Å
292	L	96.3	Very high	95.6	Very high	39 Å²	39	60.4 Å²	60.4	20%	0.204	32%	0.319	C	S	.	.			trans	-65.9	120.7	-176.1	-176.8	64	0	0	0	110.1	H288 D302 L305 M306 L309	H288-L292 WeakPolarHBondContact O-CA 3.36Å; H288-L292 WeakPolarHBondContact O-CB 3.28Å; H288-L292 PolarHBondContact O-N 2.9Å; L292-D302 HydrophobicContact CD1-CB 3.7Å; L292-L305 HydrophobicContact CD2-CB 4.06Å; L292-M306 HydrophobicContact CD1-CG 4.19Å; L292-M306 HydrophobicContact CD2-CG 4.38Å; L292-L309 HydrophobicContact CD2-CD1 3.91Å
293	D	94.7	Very high	95.7	Very high	73 Å²	73	57.2 Å²	57.2	39%	0.39	31%	0.306	S	S	.	.			trans	-110.2	105.6	171.3	-177.9	-2.1	0	0	0	108.9	T291 D295 N296	T291-D293 PolarHBondContact O-N 3.5Å; D293-D295 PolarHBondContact O-N 3.44Å; D293-D295 PolarHBondContact OD1-N 3.46Å; D293-D295 VanDerWaalsContact OD1-N 3.09Å; D293-N296 CarbonylContact O-C 3.53Å; D293-N296 PolarHBondContact O-N 2.74Å; D293-N296 VanDerWaalsContact O-N 3.14Å
294	P	92.3	Very high	95.8	Very high	80 Å²	80	51.8 Å²	51.8	52%	0.519	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.3	-178.9	-24.7	34.9	0	0	0	114.4	M306	P294-M306 HydrophobicContact CB-CE 4.43Å; P294-M306 WeakPolarHBondContact O-CE 3.3Å
295	D	93.1	Very high	95.9	Very high	155 Å²	155	51.3 Å²	51.3	83%	0.829	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-19.6	-178.7	-67.8	-36.4	0	0	0	112.1	D293	D293-D295 PolarHBondContact O-N 3.44Å; D293-D295 PolarHBondContact OD1-N 3.46Å; D293-D295 VanDerWaalsContact OD1-N 3.09Å
296	N	93.4	Very high	95.9	Very high	106 Å²	106	53.6 Å²	53.6	57%	0.567	29%	0.292	S	S	*	.	S	Bend	trans	-140.4	69.9	-177.3	-173.2	58.2	0	0	0	112.4	D293 R298	D293-N296 CarbonylContact O-C 3.53Å; D293-N296 PolarHBondContact O-N 2.74Å; D293-N296 VanDerWaalsContact O-N 3.14Å; N296-R298 PolarHBondContact O-N 2.64Å
297	P	93.6	Very high	95.9	Very high	35 Å²	35	51.2 Å²	51.2	23%	0.227	28%	0.281	C	S	.	.			trans	-64.2	128.6	176.7	25.2	-33	0	0	0	111.4	D302 M303 M306	P297-D302 HydrophobicContact CB-CB 4.01Å; P297-M303 HydrophobicContact CB-CG 4.01Å; P297-M303 HydrophobicContact CB-SD 3.59Å; P297-M303 VanDerWaalsContact CB-SD 3.59Å; P297-M303 HydrophobicContact CG-CG 4.5Å; P297-M303 HydrophobicContact CG-SD 3.52Å; P297-M303 VanDerWaalsContact CG-SD 3.52Å; P297-M306 HydrophobicContact CB-SD 3.75Å; P297-M306 HydrophobicContact CG-SD 4.15Å
298	R	94.4	Very high	95.8	Very high	93 Å²	93	49.1 Å²	49.1	35%	0.351	26%	0.264	S	S	.	.			trans	-83.5	-32.8	-172.3	-61.6	167	-67.5	-164.4	-5.6	113.4	F167 T291 N296 D302	F167-R298 VanDerWaalsContact CE1-O 3.28Å; F167-R298 WeakPolarHBondContact CE1-O 3.46Å; T291-R298 PolarHBondContact OG1-NH1 3.04Å; T291-R298 PolarHBondContact OG1-NH2 3.44Å; T291-R298 VanDerWaalsContact OG1-NH2 3.14Å; N296-R298 PolarHBondContact O-N 2.64Å; R298-D302 WeakPolarHBondContact CB-OD2 3.23Å; R298-D302 WeakPolarHBondContact CG-OD2 3.44Å; R298-D302 IonicContact CZ-OD1 2.98Å; R298-D302 IonicContact CZ-OD2 2.71Å; R298-D302 PolarHBondContact N-OD2 2.92Å; R298-D302 IonicContact NE-OD1 3.89Å; R298-D302 IonicContact NE-OD2 3.6Å; R298-D302 PolarHBondContact NE-OD2 2.86Å; R298-D302 IonicContact NH2-OD1 3.93Å; R298-D302 PolarHBondContact NH2-OD1 3.01Å; R298-D302 IonicContact NH2-OD2 3.6Å; R298-D302 PolarHBondContact NH2-OD2 3.02Å
299	D	96	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-163.1	-173.2	-166.9	54.2	63.1	0	0	0	112.6	F167 L218 G221 H288 T301 D302 M303	F167-D299 WeakPolarHBondContact CE2-O 3.4Å; F167-D299 VanDerWaalsContact CZ-CA 3.41Å; F167-D299 WeakPolarHBondContact CZ-O 3.14Å; L218-D299 WeakPolarHBondContact O-CB 3.43Å; G221-D299 WeakPolarHBondContact CA-OD2 3.1Å; G221-D299 PolarHBondContact N-OD2 3.09Å; H288-D299 IonicContact CD2-OD1 2.72Å; H288-D299 IonicContact CD2-OD2 3.46Å; H288-D299 IonicContact NE2-OD1 3.29Å; H288-D299 IonicContact NE2-OD2 3.54Å; H288-D299 PolarHBondContact NE2-OD2 3.29Å; D299-T301 VanDerWaalsContact C-N 3.3Å; D299-T301 PolarHBondContact O-N 3.29Å; D299-T301 VanDerWaalsContact OD1-CA 3.32Å; D299-T301 WeakPolarHBondContact OD1-CA 3.45Å; D299-T301 WeakPolarHBondContact OD1-CB 3.03Å; D299-T301 PolarHBondContact OD1-N 2.72Å; D299-D302 PolarHBondContact OD1-N 3.05Å; D299-D302 VanDerWaalsContact OD1-N 3.12Å; D299-M303 WeakPolarHBondContact O-CG 3.37Å; D299-M303 PolarHBondContact O-N 2.99Å; D299-M303 VanDerWaalsContact O-N 3.15Å
300	L	97.2	Very high	95.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-37.7	176.6	-178.8	69.4	0	0	0	113.4	F159 C160 T163 L164 L218 I219 Y304 I329 I330 L333	F159-L300 HydrophobicContact CE1-CD1 4.25Å; C160-L300 HydrophobicContact CB-CD1 4.37Å; T163-L300 HydrophobicContact CG2-CB 4.44Å; T163-L300 HydrophobicContact CG2-CD1 3.57Å; L164-L300 HydrophobicContact CD2-CD2 4.47Å; L218-L300 PolarHBondContact O-N 2.77Å; L218-L300 VanDerWaalsContact O-N 3.09Å; I219-L300 HydrophobicContact CB-CB 4.47Å; I219-L300 HydrophobicContact CG2-CB 4.16Å; I219-L300 HydrophobicContact CG2-CD2 3.79Å; L300-Y304 VanDerWaalsContact O-CB 3.29Å; L300-Y304 WeakPolarHBondContact O-CB 3.47Å; L300-Y304 PolarHBondContact O-N 3.01Å; L300-I329 HydrophobicContact CD2-CG2 4.15Å; L300-I330 HydrophobicContact CD2-CD1 4.27Å; L300-L333 HydrophobicContact CD2-CD1 3.25Å
301	T	97.7	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.5	-49.7	-177.5	-62.6	0	0	0	0	109.7	I219 H288 D299 M303 Y304 L305 L326 I330	I219-T301 PolarHBondContact O-OG1 2.94Å; H288-T301 HydrophobicContact CB-CG2 3.63Å; D299-T301 VanDerWaalsContact C-N 3.3Å; D299-T301 PolarHBondContact O-N 3.29Å; D299-T301 VanDerWaalsContact OD1-CA 3.32Å; D299-T301 WeakPolarHBondContact OD1-CA 3.45Å; D299-T301 WeakPolarHBondContact OD1-CB 3.03Å; D299-T301 PolarHBondContact OD1-N 2.72Å; T301-M303 PolarHBondContact O-N 2.8Å; T301-Y304 PolarHBondContact O-N 2.92Å; T301-L305 HydrophobicContact CG2-CD1 4.19Å; T301-L305 WeakPolarHBondContact O-CG 3.44Å; T301-L305 PolarHBondContact O-N 2.71Å; T301-L326 HydrophobicContact CG2-CD2 4.08Å; T301-I330 WeakPolarHBondContact OG1-CD1 3.39Å
302	D	97.6	Very high	95.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-48.7	176.6	-76.4	-10	0	0	0	111.7	H288 L292 P297 R298 D299 Y304 L305 M306	H288-D302 IonicContact CD2-OD1 3.45Å; H288-D302 PolarHBondContact CD2-OD1 3.14Å; H288-D302 IonicContact CG-OD1 3.66Å; L292-D302 HydrophobicContact CD1-CB 3.7Å; P297-D302 HydrophobicContact CB-CB 4.01Å; R298-D302 WeakPolarHBondContact CB-OD2 3.23Å; R298-D302 WeakPolarHBondContact CG-OD2 3.44Å; R298-D302 IonicContact CZ-OD1 2.98Å; R298-D302 IonicContact CZ-OD2 2.71Å; R298-D302 PolarHBondContact N-OD2 2.92Å; R298-D302 IonicContact NE-OD1 3.89Å; R298-D302 IonicContact NE-OD2 3.6Å; R298-D302 PolarHBondContact NE-OD2 2.86Å; R298-D302 IonicContact NH2-OD1 3.93Å; R298-D302 PolarHBondContact NH2-OD1 3.01Å; R298-D302 IonicContact NH2-OD2 3.6Å; R298-D302 PolarHBondContact NH2-OD2 3.02Å; D299-D302 PolarHBondContact OD1-N 3.05Å; D299-D302 VanDerWaalsContact OD1-N 3.12Å; D302-Y304 VanDerWaalsContact C-N 3.25Å; D302-Y304 PolarHBondContact O-N 2.95Å; D302-L305 PolarHBondContact O-N 3.31Å; D302-L305 VanDerWaalsContact O-N 3.17Å; D302-M306 VanDerWaalsContact O-CG 3.31Å; D302-M306 WeakPolarHBondContact O-CG 3.21Å; D302-M306 PolarHBondContact O-N 3.14Å
303	M	97.7	Very high	95.3	Very high	50 Å²	50	52.4 Å²	52.4	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-38.4	178.9	-73.3	-65	-64.5	0	0	112.1	F159 T163 F167 P297 D299 T301 M306 E307	F159-M303 HydrophobicContact CZ-CB 4.28Å; F159-M303 WeakPolarHBondContact CZ-O 3.3Å; T163-M303 HydrophobicContact CG2-CB 3.68Å; T163-M303 HydrophobicContact CG2-CG 3.74Å; F167-M303 HydrophobicContact CE2-CG 3.66Å; F167-M303 HydrophobicContact CZ-CG 3.83Å; P297-M303 HydrophobicContact CB-CG 4.01Å; P297-M303 HydrophobicContact CB-SD 3.59Å; P297-M303 VanDerWaalsContact CB-SD 3.59Å; P297-M303 HydrophobicContact CG-CG 4.5Å; P297-M303 HydrophobicContact CG-SD 3.52Å; P297-M303 VanDerWaalsContact CG-SD 3.52Å; D299-M303 WeakPolarHBondContact O-CG 3.37Å; D299-M303 PolarHBondContact O-N 2.99Å; D299-M303 VanDerWaalsContact O-N 3.15Å; T301-M303 PolarHBondContact O-N 2.8Å; M303-M306 HydrophobicContact SD-SD 4.44Å; M303-E307 PolarHBondContact O-N 3.32Å
304	Y	97.9	Very high	95.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-42.4	177.8	-167.5	-75.8	0	0	0	111.9	Q156 F159 L300 T301 D302 M306 E307 M308 F321 T322 L326 I329	Q156-Y304 PolarHBondContact NE2-OH 3.06Å; Q156-Y304 VanDerWaalsContact OE1-CE2 3.23Å; F159-Y304 AromaticContact CD1-CD2 4Å; F159-Y304 HydrophobicContact CD1-CD2 4Å; F159-Y304 AromaticContact CE1-CD2 3.76Å; F159-Y304 HydrophobicContact CE1-CD2 3.76Å; F159-Y304 HydrophobicContact CE1-CG 4.25Å; L300-Y304 VanDerWaalsContact O-CB 3.29Å; L300-Y304 WeakPolarHBondContact O-CB 3.47Å; L300-Y304 PolarHBondContact O-N 3.01Å; T301-Y304 PolarHBondContact O-N 2.92Å; D302-Y304 VanDerWaalsContact C-N 3.25Å; D302-Y304 PolarHBondContact O-N 2.95Å; Y304-M306 VanDerWaalsContact C-N 3.29Å; Y304-M306 PolarHBondContact O-N 3.03Å; Y304-E307 PolarHBondContact O-N 3.12Å; Y304-M308 WeakPolarHBondContact O-CB 3.29Å; Y304-M308 PolarHBondContact O-N 3.11Å; Y304-F321 HydrophobicContact CD1-CD1 4.37Å; Y304-F321 AromaticContact CD2-CD1 3.99Å; Y304-F321 HydrophobicContact CD2-CD1 3.99Å; Y304-F321 HydrophobicContact CD2-CE1 4.15Å; Y304-F321 HydrophobicContact CE1-CB 4.26Å; Y304-F321 AromaticContact CE1-CD1 3.97Å; Y304-F321 HydrophobicContact CE1-CD1 3.97Å; Y304-F321 AromaticContact CE2-CD1 3.56Å; Y304-F321 HydrophobicContact CE2-CD1 3.56Å; Y304-F321 AromaticContact CE2-CE1 3.84Å; Y304-F321 HydrophobicContact CE2-CE1 3.84Å; Y304-F321 HydrophobicContact CG-CD1 4.39Å; Y304-F321 AromaticContact CZ-CD1 3.56Å; Y304-T322 WeakPolarHBondContact CE1-O 3.31Å; Y304-T322 PolarHBondContact OH-O 3.17Å; Y304-L326 HydrophobicContact CD1-CB 3.74Å; Y304-L326 HydrophobicContact CD1-CD1 3.85Å; Y304-L326 HydrophobicContact CD1-CD2 3.84Å; Y304-L326 HydrophobicContact CD1-CG 4.01Å; Y304-L326 HydrophobicContact CD2-CD1 4.06Å; Y304-L326 HydrophobicContact CE1-CB 3.63Å; Y304-L326 HydrophobicContact CE1-CD1 4.43Å; Y304-L326 HydrophobicContact CE1-CG 4.41Å; Y304-L326 HydrophobicContact CG-CB 4.36Å; Y304-L326 HydrophobicContact CG-CD1 3.63Å; Y304-L326 HydrophobicContact CG-CD2 4.32Å; Y304-L326 HydrophobicContact CG-CG 4.31Å; Y304-I329 HydrophobicContact CD2-CD1 4.24Å; Y304-I329 HydrophobicContact CE2-CD1 3.45Å; Y304-I329 VanDerWaalsContact CE2-CD1 3.45Å
305	L	97.2	Very high	95.1	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-41	175.8	-69.5	173.5	0	0	0	110.7	H288 L292 T301 D302 M308 L309 L326	H288-L305 HydrophobicContact CB-CD1 4.03Å; L292-L305 HydrophobicContact CD2-CB 4.06Å; T301-L305 HydrophobicContact CG2-CD1 4.19Å; T301-L305 WeakPolarHBondContact O-CG 3.44Å; T301-L305 PolarHBondContact O-N 2.71Å; D302-L305 PolarHBondContact O-N 3.31Å; D302-L305 VanDerWaalsContact O-N 3.17Å; L305-M308 HydrophobicContact CD2-CE 3.81Å; L305-M308 WeakPolarHBondContact O-CB 3.45Å; L305-M308 PolarHBondContact O-N 3.18Å; L305-L309 VanDerWaalsContact O-CG 3.3Å; L305-L309 WeakPolarHBondContact O-CG 3.45Å; L305-L309 PolarHBondContact O-N 3.07Å; L305-L326 HydrophobicContact CD2-CD2 3.78Å; L305-L326 HydrophobicContact CG-CD2 3.98Å
306	M	96.7	Very high	95	Very high	51 Å²	51	48.4 Å²	48.4	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-46.1	174.2	-69	169	68.9	0	0	112.4	L292 P294 P297 D302 M303 Y304 M308 L309 A310	L292-M306 HydrophobicContact CD1-CG 4.19Å; L292-M306 HydrophobicContact CD2-CG 4.38Å; P294-M306 HydrophobicContact CB-CE 4.43Å; P294-M306 WeakPolarHBondContact O-CE 3.3Å; P297-M306 HydrophobicContact CB-SD 3.75Å; P297-M306 HydrophobicContact CG-SD 4.15Å; D302-M306 VanDerWaalsContact O-CG 3.31Å; D302-M306 WeakPolarHBondContact O-CG 3.21Å; D302-M306 PolarHBondContact O-N 3.14Å; M303-M306 HydrophobicContact SD-SD 4.44Å; Y304-M306 VanDerWaalsContact C-N 3.29Å; Y304-M306 PolarHBondContact O-N 3.03Å; M306-M308 VanDerWaalsContact C-N 3.32Å; M306-M308 PolarHBondContact O-N 2.98Å; M306-L309 PolarHBondContact O-N 2.69Å; M306-A310 WeakPolarHBondContact O-CB 3.49Å; M306-A310 PolarHBondContact O-N 3.06Å
307	E	96.4	Very high	94.2	Very high	69 Å²	69	52.4 Å²	52.4	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-40.8	177	-177.3	65.8	-157.9	0	0	111.6	F159 M303 Y304 A310 Q311 F321	F159-E307 HydrophobicContact CD2-CG 4.21Å; F159-E307 HydrophobicContact CE2-CB 3.72Å; F159-E307 HydrophobicContact CE2-CG 3.73Å; F159-E307 HydrophobicContact CZ-CB 3.85Å; F159-E307 HydrophobicContact CZ-CG 4.29Å; M303-E307 PolarHBondContact O-N 3.32Å; Y304-E307 PolarHBondContact O-N 3.12Å; E307-A310 PolarHBondContact O-N 3.26Å; E307-Q311 WeakPolarHBondContact O-CG 3.24Å; E307-Q311 PolarHBondContact O-N 3.03Å; E307-Q311 PolarHBondContact OE1-NE2 2.93Å; E307-F321 HydrophobicContact CB-CD1 4.24Å; E307-F321 HydrophobicContact CB-CE1 4.38Å; E307-F321 HydrophobicContact CG-CD1 3.71Å; E307-F321 HydrophobicContact CG-CD2 4.46Å; E307-F321 HydrophobicContact CG-CE1 3.64Å; E307-F321 HydrophobicContact CG-CE2 4.39Å; E307-F321 HydrophobicContact CG-CG 4.12Å; E307-F321 HydrophobicContact CG-CZ 3.99Å
308	M	95.8	Very high	93.6	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-59.8	-49.1	174.1	175	-178.1	76.2	0	0	111.4	Y304 L305 M306 A310 Q311 Q312 F321 E323	Y304-M308 WeakPolarHBondContact O-CB 3.29Å; Y304-M308 PolarHBondContact O-N 3.11Å; L305-M308 HydrophobicContact CD2-CE 3.81Å; L305-M308 WeakPolarHBondContact O-CB 3.45Å; L305-M308 PolarHBondContact O-N 3.18Å; M306-M308 VanDerWaalsContact C-N 3.32Å; M306-M308 PolarHBondContact O-N 2.98Å; M308-A310 VanDerWaalsContact C-N 3.34Å; M308-A310 PolarHBondContact O-N 3.35Å; M308-Q311 PolarHBondContact O-N 2.9Å; M308-Q312 VanDerWaalsContact O-CG 3.31Å; M308-Q312 WeakPolarHBondContact O-CG 3.35Å; M308-Q312 PolarHBondContact O-N 3.42Å; M308-F321 HydrophobicContact CB-CB 4.23Å; M308-F321 WeakPolarHBondContact CG-O 3.27Å; M308-E323 HydrophobicContact SD-CB 4.33Å; M308-E323 PolarHBondContact SD-N 2.93Å; M308-E323 VanDerWaalsContact SD-N 3.44Å
309	L	94.8	Very high	93.4	Very high	87 Å²	87	55.4 Å²	55.4	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-38.9	178.9	-69.9	172.3	0	0	0	111.9	L292 L305 M306 Q312 A313	L292-L309 HydrophobicContact CD2-CD1 3.91Å; L305-L309 VanDerWaalsContact O-CG 3.3Å; L305-L309 WeakPolarHBondContact O-CG 3.45Å; L305-L309 PolarHBondContact O-N 3.07Å; M306-L309 PolarHBondContact O-N 2.69Å; L309-Q312 PolarHBondContact O-N 2.68Å; L309-A313 WeakPolarHBondContact O-CB 3.3Å; L309-A313 PolarHBondContact O-N 3.27Å
310	A	94.8	Very high	93.2	Very high	55 Å²	55	56.4 Å²	56.4	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-44.9	177.3	0	0	0	0	0	112	M306 E307 M308 A313 A314	M306-A310 WeakPolarHBondContact O-CB 3.49Å; M306-A310 PolarHBondContact O-N 3.06Å; E307-A310 PolarHBondContact O-N 3.26Å; M308-A310 VanDerWaalsContact C-N 3.34Å; M308-A310 PolarHBondContact O-N 3.35Å; A310-A313 PolarHBondContact O-N 3.48Å; A310-A314 WeakPolarHBondContact O-CB 3.39Å; A310-A314 PolarHBondContact O-N 3.13Å
311	Q	94.7	Very high	93.1	Very high	18 Å²	18	56.9 Å²	56.9	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-67.5	-35.8	177.2	-71.6	-179.8	24.3	0	0	112.3	E307 M308 A314 G315 E316 S319 F321	E307-Q311 WeakPolarHBondContact O-CG 3.24Å; E307-Q311 PolarHBondContact O-N 3.03Å; E307-Q311 PolarHBondContact OE1-NE2 2.93Å; M308-Q311 PolarHBondContact O-N 2.9Å; Q311-A314 PolarHBondContact O-N 2.48Å; Q311-G315 PolarHBondContact O-N 3.37Å; Q311-E316 HydrophobicContact CB-CB 4.35Å; Q311-E316 WeakPolarHBondContact O-CB 3.18Å; Q311-E316 PolarHBondContact O-N 3.19Å; Q311-S319 PolarHBondContact OE1-OG 2.98Å; Q311-F321 VanDerWaalsContact NE2-CE2 3.31Å; Q311-F321 VanDerWaalsContact OE1-CD2 3.3Å
312	Q	92	Very high	93	Very high	114 Å²	114	59.5 Å²	59.5	53%	0.533	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-44.7	172.5	-74	175	-1.1	0	0	111.9	M308 L309 A314 G315	M308-Q312 VanDerWaalsContact O-CG 3.31Å; M308-Q312 WeakPolarHBondContact O-CG 3.35Å; M308-Q312 PolarHBondContact O-N 3.42Å; L309-Q312 PolarHBondContact O-N 2.68Å; Q312-A314 VanDerWaalsContact C-N 3.27Å; Q312-A314 PolarHBondContact O-N 2.99Å; Q312-G315 PolarHBondContact O-N 3.44Å
313	A	92.8	Very high	92.8	Very high	93 Å²	93	64 Å²	64	77%	0.769	37%	0.369	S	S	*	.	H	α-helix	trans	-64.3	-31.6	176.6	0	0	0	0	0	112.6	L309 A310 G315	L309-A313 WeakPolarHBondContact O-CB 3.3Å; L309-A313 PolarHBondContact O-N 3.27Å; A310-A313 PolarHBondContact O-N 3.48Å; A313-G315 PolarHBondContact O-N 3.3Å
314	A	93.6	Very high	92.7	Very high	75 Å²	75	65 Å²	65	62%	0.62	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.8	172.9	0	0	0	0	0	113.8	A310 Q311 Q312	A310-A314 WeakPolarHBondContact O-CB 3.39Å; A310-A314 PolarHBondContact O-N 3.13Å; Q311-A314 PolarHBondContact O-N 2.48Å; Q312-A314 VanDerWaalsContact C-N 3.27Å; Q312-A314 PolarHBondContact O-N 2.99Å
315	G	90.6	Very high	92.6	Very high	53 Å²	53	65.9 Å²	65.9	55%	0.546	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	21.6	179.1	0	0	0	0	0	114.4	Q311 Q312 A313 Q317	Q311-G315 PolarHBondContact O-N 3.37Å; Q312-G315 PolarHBondContact O-N 3.44Å; A313-G315 PolarHBondContact O-N 3.3Å; G315-Q317 PolarHBondContact O-N 2.79Å
316	E	91.1	Very high	92.6	Very high	96 Å²	96	65.8 Å²	65.8	45%	0.449	38%	0.378	S	S	.	.			trans	-70.9	99.6	176.3	-67.4	-168.1	-156	0	0	111	Q311 D318	Q311-E316 HydrophobicContact CB-CB 4.35Å; Q311-E316 WeakPolarHBondContact O-CB 3.18Å; Q311-E316 PolarHBondContact O-N 3.19Å; E316-D318 PolarHBondContact O-N 3.35Å
317	Q	75.1	Confident	92.6	Very high	190 Å²	190	64.4 Å²	64.4	89%	0.888	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.7	-176.5	-66.9	-173.9	-11.6	0	0	114.2	G315	G315-Q317 PolarHBondContact O-N 2.79Å
318	D	82.1	Confident	92.7	Very high	166 Å²	166	62.5 Å²	62.5	89%	0.888	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	33.2	-177.1	-70.3	-35.5	0	0	0	112.7	E316 S320	E316-D318 PolarHBondContact O-N 3.35Å; D318-S320 PolarHBondContact O-N 2.98Å
319	S	89.4	Confident	92.8	Very high	26 Å²	26	61.6 Å²	61.6	18%	0.182	36%	0.357	C	S	.	.			trans	-60.3	135.2	177.4	173.6	0	0	0	0	111.5	Q311 F321	Q311-S319 PolarHBondContact OE1-OG 2.98Å; S319-F321 PolarHBondContact OG-N 3.46Å
320	S	92.3	Very high	92.9	Very high	20 Å²	20	57.5 Å²	57.5	14%	0.14	34%	0.335	C	S	.	.	S	Bend	trans	-78.1	-10.3	170.3	60.6	0	0	0	0	113.6	Q156 D318 T322	Q156-S320 PolarHBondContact NE2-O 2.82Å; D318-S320 PolarHBondContact O-N 2.98Å; S320-T322 PolarHBondContact O-N 2.67Å
321	F	95.4	Very high	93	Very high	11 Å²	11	55.3 Å²	55.3	5%	0.048	32%	0.319	C	S	.	.			trans	-86.7	98.9	-179.7	-71.6	-99	0	0	0	109.2	F159 Y304 E307 M308 Q311 S319	F159-F321 HydrophobicContact CB-CE1 4.15Å; F159-F321 HydrophobicContact CB-CZ 4.02Å; F159-F321 AromaticContact CD1-CE1 3.92Å; F159-F321 HydrophobicContact CD1-CE1 3.92Å; F159-F321 AromaticContact CD2-CE1 3.94Å; F159-F321 HydrophobicContact CD2-CE1 3.94Å; F159-F321 HydrophobicContact CD2-CZ 4.12Å; F159-F321 HydrophobicContact CE1-CE1 4.33Å; F159-F321 HydrophobicContact CE2-CE1 4.33Å; F159-F321 AromaticContact CG-CE1 3.72Å; F159-F321 HydrophobicContact CG-CE1 3.72Å; F159-F321 HydrophobicContact CG-CZ 4.01Å; Y304-F321 HydrophobicContact CD1-CD1 4.37Å; Y304-F321 AromaticContact CD2-CD1 3.99Å; Y304-F321 HydrophobicContact CD2-CD1 3.99Å; Y304-F321 HydrophobicContact CD2-CE1 4.15Å; Y304-F321 HydrophobicContact CE1-CB 4.26Å; Y304-F321 AromaticContact CE1-CD1 3.97Å; Y304-F321 HydrophobicContact CE1-CD1 3.97Å; Y304-F321 AromaticContact CE2-CD1 3.56Å; Y304-F321 HydrophobicContact CE2-CD1 3.56Å; Y304-F321 AromaticContact CE2-CE1 3.84Å; Y304-F321 HydrophobicContact CE2-CE1 3.84Å; Y304-F321 HydrophobicContact CG-CD1 4.39Å; Y304-F321 AromaticContact CZ-CD1 3.56Å; E307-F321 HydrophobicContact CB-CD1 4.24Å; E307-F321 HydrophobicContact CB-CE1 4.38Å; E307-F321 HydrophobicContact CG-CD1 3.71Å; E307-F321 HydrophobicContact CG-CD2 4.46Å; E307-F321 HydrophobicContact CG-CE1 3.64Å; E307-F321 HydrophobicContact CG-CE2 4.39Å; E307-F321 HydrophobicContact CG-CG 4.12Å; E307-F321 HydrophobicContact CG-CZ 3.99Å; M308-F321 HydrophobicContact CB-CB 4.23Å; M308-F321 WeakPolarHBondContact CG-O 3.27Å; Q311-F321 VanDerWaalsContact NE2-CE2 3.31Å; Q311-F321 VanDerWaalsContact OE1-CD2 3.3Å; S319-F321 PolarHBondContact OG-N 3.46Å
322	T	95.1	Very high	93.1	Very high	55 Å²	55	55.3 Å²	55.3	34%	0.337	32%	0.319	S	S	.	.			trans	-131.3	154.7	175.8	65	0	0	0	0	110.1	Y304 S320 D324 Y325 L326	Y304-T322 WeakPolarHBondContact CE1-O 3.31Å; Y304-T322 PolarHBondContact OH-O 3.17Å; S320-T322 PolarHBondContact O-N 2.67Å; T322-D324 PolarHBondContact O-N 3.25Å; T322-Y325 PolarHBondContact O-N 3.47Å; T322-Y325 WeakPolarHBondContact OG1-CB 3.09Å; T322-Y325 PolarHBondContact OG1-N 2.93Å; T322-L326 PolarHBondContact O-N 3.07Å
323	E	94.4	Very high	93.4	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-58.4	-37.1	174.9	-167.6	-174.6	143.3	0	0	111.8	I285 M308 Y325 L326 F327	I285-E323 HydrophobicContact CG2-CG 3.87Å; M308-E323 HydrophobicContact SD-CB 4.33Å; M308-E323 PolarHBondContact SD-N 2.93Å; M308-E323 VanDerWaalsContact SD-N 3.44Å; E323-Y325 VanDerWaalsContact C-N 3.34Å; E323-Y325 PolarHBondContact O-N 3.47Å; E323-L326 WeakPolarHBondContact O-CB 3.15Å; E323-L326 PolarHBondContact O-N 3.5Å; E323-F327 PolarHBondContact O-N 2.95Å
324	D	94.4	Very high	93.5	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-39.2	174.5	179.8	78.8	0	0	0	111.9	K142 T322 F327 Y328	K142-D324 VanDerWaalsContact CD-OD2 3.31Å; K142-D324 WeakPolarHBondContact CD-OD2 3.37Å; K142-D324 WeakPolarHBondContact CE-OD2 3.34Å; K142-D324 IonicContact NZ-OD2 3.38Å; K142-D324 PolarHBondContact NZ-OD2 3.05Å; T322-D324 PolarHBondContact O-N 3.25Å; D324-F327 WeakPolarHBondContact O-CB 3.3Å; D324-Y328 WeakPolarHBondContact O-CD2 3.3Å; D324-Y328 WeakPolarHBondContact O-CE2 3.32Å
325	Y	96.3	Very high	93.6	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.078	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-35.5	175.5	-151.9	-74.4	0	0	0	111.9	K142 G143 V152 Q156 T322 E323 F327 Y328 I329	K142-Y325 HydrophobicContact CB-CD2 3.92Å; K142-Y325 HydrophobicContact CB-CE2 3.84Å; K142-Y325 HydrophobicContact CB-CG 4.44Å; K142-Y325 HydrophobicContact CD-CD2 3.92Å; K142-Y325 HydrophobicContact CD-CE2 4.44Å; K142-Y325 HydrophobicContact CG-CD2 3.84Å; K142-Y325 HydrophobicContact CG-CE2 3.86Å; G143-Y325 WeakPolarHBondContact O-CE1 3.49Å; G143-Y325 PolarHBondContact O-OH 3.43Å; V152-Y325 HydrophobicContact CG1-CE2 3.96Å; Q156-Y325 HydrophobicContact CB-CE1 4.09Å; Q156-Y325 HydrophobicContact CG-CD1 4.07Å; Q156-Y325 HydrophobicContact CG-CE1 3.53Å; T322-Y325 PolarHBondContact O-N 3.47Å; T322-Y325 WeakPolarHBondContact OG1-CB 3.09Å; T322-Y325 PolarHBondContact OG1-N 2.93Å; E323-Y325 VanDerWaalsContact C-N 3.34Å; E323-Y325 PolarHBondContact O-N 3.47Å; Y325-F327 VanDerWaalsContact C-N 3.32Å; Y325-F327 PolarHBondContact O-N 3.15Å; Y325-Y328 PolarHBondContact O-N 3.31Å; Y325-I329 HydrophobicContact CD1-CD1 3.63Å; Y325-I329 HydrophobicContact CD1-CG1 3.92Å; Y325-I329 HydrophobicContact CE1-CD1 3.98Å; Y325-I329 HydrophobicContact CE1-CG1 4.11Å; Y325-I329 WeakPolarHBondContact O-CG1 3.42Å; Y325-I329 PolarHBondContact O-N 3.19Å; Y325-I329 VanDerWaalsContact O-N 3.09Å
326	L	97.3	Very high	93.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-44.7	173.5	176.6	56.2	0	0	0	111.3	I285 T301 Y304 L305 T322 E323 Y328 I329 I330	I285-L326 HydrophobicContact CG2-CD2 4.37Å; T301-L326 HydrophobicContact CG2-CD2 4.08Å; Y304-L326 HydrophobicContact CD1-CB 3.74Å; Y304-L326 HydrophobicContact CD1-CD1 3.85Å; Y304-L326 HydrophobicContact CD1-CD2 3.84Å; Y304-L326 HydrophobicContact CD1-CG 4.01Å; Y304-L326 HydrophobicContact CD2-CD1 4.06Å; Y304-L326 HydrophobicContact CE1-CB 3.63Å; Y304-L326 HydrophobicContact CE1-CD1 4.43Å; Y304-L326 HydrophobicContact CE1-CG 4.41Å; Y304-L326 HydrophobicContact CG-CB 4.36Å; Y304-L326 HydrophobicContact CG-CD1 3.63Å; Y304-L326 HydrophobicContact CG-CD2 4.32Å; Y304-L326 HydrophobicContact CG-CG 4.31Å; L305-L326 HydrophobicContact CD2-CD2 3.78Å; L305-L326 HydrophobicContact CG-CD2 3.98Å; T322-L326 PolarHBondContact O-N 3.07Å; E323-L326 WeakPolarHBondContact O-CB 3.15Å; E323-L326 PolarHBondContact O-N 3.5Å; L326-Y328 VanDerWaalsContact C-N 3.29Å; L326-Y328 PolarHBondContact O-N 2.99Å; L326-I329 WeakPolarHBondContact O-CB 3.42Å; L326-I329 PolarHBondContact O-N 2.79Å; L326-I330 HydrophobicContact CD1-CD1 3.95Å; L326-I330 HydrophobicContact CD1-CG1 3.68Å; L326-I330 HydrophobicContact CG-CG1 4.16Å; L326-I330 WeakPolarHBondContact O-CG1 3.39Å; L326-I330 PolarHBondContact O-N 3.39Å
327	F	97.3	Very high	94.1	Very high	23 Å²	23	40.7 Å²	40.7	10%	0.101	22%	0.22	C	C	.	.	H	α-helix	trans	-51	-47.5	176.1	167	-96.8	0	0	0	112.6	T278 L281 K282 I285 E323 D324 Y325 G331	T278-F327 HydrophobicContact CG2-CE2 3.94Å; T278-F327 HydrophobicContact CG2-CZ 3.8Å; L281-F327 HydrophobicContact CB-CD2 4.04Å; L281-F327 HydrophobicContact CB-CE2 3.82Å; L281-F327 HydrophobicContact CD1-CE2 4.1Å; K282-F327 HydrophobicContact CG-CD2 4.07Å; K282-F327 HydrophobicContact CG-CE2 4.21Å; I285-F327 HydrophobicContact CD1-CB 4Å; I285-F327 HydrophobicContact CD1-CD2 4.3Å; E323-F327 PolarHBondContact O-N 2.95Å; D324-F327 WeakPolarHBondContact O-CB 3.3Å; Y325-F327 VanDerWaalsContact C-N 3.32Å; Y325-F327 PolarHBondContact O-N 3.15Å; F327-G331 PolarHBondContact O-N 3.19Å
328	Y	97.4	Very high	95.2	Very high	28 Å²	28	31.8 Å²	31.8	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-70.7	-33.4	177.8	-64.2	-75.5	0	0	0	112.8	T139 K140 K142 D324 Y325 L326 D332	T139-Y328 VanDerWaalsContact O-CD1 3.27Å; T139-Y328 WeakPolarHBondContact O-CD1 3.49Å; T139-Y328 VanDerWaalsContact O-CE1 3.23Å; T139-Y328 WeakPolarHBondContact O-CE1 3.47Å; K140-Y328 HydrophobicContact CB-CE2 4.42Å; K140-Y328 HydrophobicContact CG-CE1 4.36Å; K140-Y328 HydrophobicContact CG-CE2 4.48Å; K140-Y328 WeakPolarHBondContact CG-OH 3.3Å; K142-Y328 HydrophobicContact CB-CD2 3.44Å; K142-Y328 VanDerWaalsContact CB-CD2 3.44Å; K142-Y328 HydrophobicContact CB-CE2 4.09Å; K142-Y328 HydrophobicContact CB-CG 3.77Å; K142-Y328 HydrophobicContact CD-CD2 3.89Å; K142-Y328 HydrophobicContact CD-CE2 3.88Å; K142-Y328 HydrophobicContact CG-CD2 4.24Å; K142-Y328 HydrophobicContact CG-CE2 4.48Å; D324-Y328 WeakPolarHBondContact O-CD2 3.3Å; D324-Y328 WeakPolarHBondContact O-CE2 3.32Å; Y325-Y328 PolarHBondContact O-N 3.31Å; L326-Y328 VanDerWaalsContact C-N 3.29Å; L326-Y328 PolarHBondContact O-N 2.99Å; Y328-D332 VanDerWaalsContact O-CB 3.25Å; Y328-D332 WeakPolarHBondContact O-CB 3.5Å; Y328-D332 VanDerWaalsContact O-CG 3.3Å; Y328-D332 PolarHBondContact O-N 3.07Å
329	I	97.9	Very high	95.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-49.2	174.5	-71.7	170.9	0	0	0	110.5	I144 Q156 C160 L300 Y304 Y325 L326 G331 D332 L333	I144-I329 HydrophobicContact CD1-CG1 4.32Å; I144-I329 HydrophobicContact CG1-CG1 4.21Å; Q156-I329 HydrophobicContact CB-CD1 4.46Å; C160-I329 VanDerWaalsContact SG-CG2 3.56Å; L300-I329 HydrophobicContact CD2-CG2 4.15Å; Y304-I329 HydrophobicContact CD2-CD1 4.24Å; Y304-I329 HydrophobicContact CE2-CD1 3.45Å; Y304-I329 VanDerWaalsContact CE2-CD1 3.45Å; Y325-I329 HydrophobicContact CD1-CD1 3.63Å; Y325-I329 HydrophobicContact CD1-CG1 3.92Å; Y325-I329 HydrophobicContact CE1-CD1 3.98Å; Y325-I329 HydrophobicContact CE1-CG1 4.11Å; Y325-I329 WeakPolarHBondContact O-CG1 3.42Å; Y325-I329 PolarHBondContact O-N 3.19Å; Y325-I329 VanDerWaalsContact O-N 3.09Å; L326-I329 WeakPolarHBondContact O-CB 3.42Å; L326-I329 PolarHBondContact O-N 2.79Å; I329-G331 PolarHBondContact O-N 2.97Å; I329-D332 PolarHBondContact O-N 3.27Å; I329-L333 HydrophobicContact CG2-CD1 3.86Å; I329-L333 HydrophobicContact CG2-CG 4.4Å; I329-L333 VanDerWaalsContact O-CG 3.27Å; I329-L333 WeakPolarHBondContact O-CG 3.45Å; I329-L333 PolarHBondContact O-N 3.46Å
330	I	97.5	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.9	-44.6	179.8	-63.4	-57	0	0	0	110.5	I219 L220 L281 L300 T301 L326 L333 F334	I219-I330 HydrophobicContact CB-CD1 4.07Å; I219-I330 HydrophobicContact CD1-CG2 4Å; L220-I330 HydrophobicContact CD2-CG2 3.59Å; L281-I330 HydrophobicContact CD2-CG2 3.91Å; L300-I330 HydrophobicContact CD2-CD1 4.27Å; T301-I330 WeakPolarHBondContact OG1-CD1 3.39Å; L326-I330 HydrophobicContact CD1-CD1 3.95Å; L326-I330 HydrophobicContact CD1-CG1 3.68Å; L326-I330 HydrophobicContact CG-CG1 4.16Å; L326-I330 WeakPolarHBondContact O-CG1 3.39Å; L326-I330 PolarHBondContact O-N 3.39Å; I330-L333 PolarHBondContact O-N 3.3Å; I330-F334 WeakPolarHBondContact O-CB 3.45Å; I330-F334 PolarHBondContact O-N 2.87Å
331	G	96.7	Very high	96.6	Very high	10 Å²	10	23.9 Å²	23.9	10%	0.103	13%	0.134	C	C	.	.	H	α-helix	trans	-59.4	-46.6	175.1	0	0	0	0	0	113	F327 I329 I335	F327-G331 PolarHBondContact O-N 3.19Å; I329-G331 PolarHBondContact O-N 2.97Å; G331-I335 WeakPolarHBondContact O-CB 3.46Å; G331-I335 WeakPolarHBondContact O-CG1 3.5Å; G331-I335 PolarHBondContact O-N 2.66Å
332	D	96.6	Very high	96.7	Very high	18 Å²	18	23.8 Å²	23.8	10%	0.096	13%	0.134	C	C	.	.	H	α-helix	trans	-59.5	-48.7	177.5	-86.5	-2.1	0	0	0	111.8	I144 V145 Y328 I329 A336	I144-D332 PolarHBondContact N-OD2 3.14Å; V145-D332 HydrophobicContact CG2-CB 3.93Å; V145-D332 PolarHBondContact N-OD2 3.47Å; Y328-D332 VanDerWaalsContact O-CB 3.25Å; Y328-D332 WeakPolarHBondContact O-CB 3.5Å; Y328-D332 VanDerWaalsContact O-CG 3.3Å; Y328-D332 PolarHBondContact O-N 3.07Å; I329-D332 PolarHBondContact O-N 3.27Å; D332-A336 WeakPolarHBondContact O-CB 3.28Å; D332-A336 PolarHBondContact O-N 3.02Å
333	L	97.4	Very high	96.8	Very high	18 Å²	18	21.5 Å²	21.5	9%	0.094	12%	0.12	C	C	.	.	H	α-helix	trans	-69.1	-40	-177.5	-65	177.4	0	0	0	111.9	L164 I215 I219 L300 I329 I330 G337 M475	L164-L333 HydrophobicContact CD1-CD1 4.22Å; I215-L333 WeakPolarHBondContact CG1-O 3.47Å; I219-L333 HydrophobicContact CG2-CB 4.18Å; I219-L333 HydrophobicContact CG2-CD1 3.83Å; L300-L333 HydrophobicContact CD2-CD1 3.25Å; I329-L333 HydrophobicContact CG2-CD1 3.86Å; I329-L333 HydrophobicContact CG2-CG 4.4Å; I329-L333 VanDerWaalsContact O-CG 3.27Å; I329-L333 WeakPolarHBondContact O-CG 3.45Å; I329-L333 PolarHBondContact O-N 3.46Å; I330-L333 PolarHBondContact O-N 3.3Å; L333-G337 PolarHBondContact O-N 3.02Å; L333-M475 HydrophobicContact CD2-CE 3.33Å
334	F	96.8	Very high	97	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-51.9	178.1	-174.9	-155.3	0	0	0	111.1	I215 C216 I219 F231 I234 L235 M238 F280 L281 I330 T338	I215-F334 HydrophobicContact CG2-CD2 4.16Å; C216-F334 VanDerWaalsContact SG-CE2 3.52Å; I219-F334 HydrophobicContact CD1-CB 3.87Å; F231-F334 HydrophobicContact CE2-CE2 4.16Å; F231-F334 AromaticContact CE2-CZ 3.62Å; F231-F334 HydrophobicContact CE2-CZ 3.62Å; F231-F334 HydrophobicContact CZ-CE2 4.28Å; F231-F334 HydrophobicContact CZ-CZ 4.14Å; I234-F334 HydrophobicContact CG2-CE1 3.85Å; I234-F334 HydrophobicContact CG2-CZ 4.28Å; L235-F334 HydrophobicContact CD2-CE2 4.26Å; L235-F334 HydrophobicContact CD2-CZ 4.09Å; M238-F334 HydrophobicContact CE-CB 4.49Å; M238-F334 HydrophobicContact CE-CD1 3.83Å; M238-F334 HydrophobicContact CE-CD2 3.89Å; M238-F334 HydrophobicContact CE-CE1 3.94Å; M238-F334 HydrophobicContact CE-CE2 3.98Å; M238-F334 HydrophobicContact CE-CG 3.8Å; M238-F334 HydrophobicContact CE-CZ 4Å; M238-F334 HydrophobicContact SD-CD1 3.97Å; M238-F334 HydrophobicContact SD-CE1 3.55Å; M238-F334 VanDerWaalsContact SD-CE1 3.55Å; M238-F334 HydrophobicContact SD-CE2 4.27Å; M238-F334 HydrophobicContact SD-CZ 3.71Å; F280-F334 HydrophobicContact CD1-CE1 4.48Å; F280-F334 AromaticContact CE1-CE1 3.92Å; F280-F334 HydrophobicContact CE1-CE1 3.92Å; L281-F334 HydrophobicContact CD2-CD1 4.11Å; I330-F334 WeakPolarHBondContact O-CB 3.45Å; I330-F334 PolarHBondContact O-N 2.87Å; F334-T338 WeakPolarHBondContact CE2-OG1 3.22Å; F334-T338 WeakPolarHBondContact O-CB 3.41Å; F334-T338 PolarHBondContact O-N 2.87Å; F334-T338 PolarHBondContact O-OG1 2.88Å; F334-T338 VanDerWaalsContact O-OG1 3.13Å
335	I	95.6	Very high	97.2	Very high	50 Å²	50	14.1 Å²	14.1	26%	0.256	8%	0.084	S	C	.	.	H	α-helix	trans	-63.8	-46	179.3	-63.2	167.8	0	0	0	111.3	M238 L242 G331 D339	M238-I335 VanDerWaalsContact CE-CA 3.41Å; M238-I335 HydrophobicContact CE-CB 4.02Å; M238-I335 HydrophobicContact CE-CG1 3.54Å; M238-I335 HydrophobicContact CG-CG1 4.14Å; L242-I335 HydrophobicContact CD1-CG2 4.13Å; L242-I335 HydrophobicContact CD2-CG2 4.3Å; L242-I335 HydrophobicContact CG-CG2 4.5Å; G331-I335 WeakPolarHBondContact O-CB 3.46Å; G331-I335 WeakPolarHBondContact O-CG1 3.5Å; G331-I335 PolarHBondContact O-N 2.66Å; I335-D339 PolarHBondContact O-N 3.23Å
336	A	96.2	Very high	97.3	Very high	41 Å²	41	13.3 Å²	13.3	34%	0.339	8%	0.082	S	C	.	.	H	α-helix	trans	-64.6	-44.8	-177.9	0	0	0	0	0	112.2	D332 T340	D332-A336 WeakPolarHBondContact O-CB 3.28Å; D332-A336 PolarHBondContact O-N 3.02Å; A336-T340 WeakPolarHBondContact O-CB 3.21Å; A336-T340 WeakPolarHBondContact O-CG2 3.33Å; A336-T340 PolarHBondContact O-OG1 2.69Å
337	G	96.1	Very high	97.4	Very high	14 Å²	14	13.4 Å²	13.4	14%	0.144	8%	0.082	C	C	.	.	H	α-helix	trans	-68.9	-38.7	180	0	0	0	0	0	112.9	V211 L333 T341	V211-G337 WeakPolarHBondContact CG1-O 3.24Å; L333-G337 PolarHBondContact O-N 3.02Å; G337-T341 WeakPolarHBondContact O-CB 3.38Å; G337-T341 PolarHBondContact O-OG1 3.4Å
338	T	97.3	Very high	97.5	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.018	8%	0.077	C	C	.	.	H	α-helix	trans	-72.4	-62.6	-179.7	-72.6	0	0	0	0	112.6	S212 L235 M238 F334 T342	S212-T338 WeakPolarHBondContact CA-OG1 3.21Å; S212-T338 WeakPolarHBondContact CB-OG1 3.49Å; S212-T338 WeakPolarHBondContact OG-CB 3.35Å; S212-T338 WeakPolarHBondContact OG-CG2 3.38Å; S212-T338 PolarHBondContact OG-OG1 3.28Å; L235-T338 HydrophobicContact CD2-CG2 3.84Å; M238-T338 HydrophobicContact CE-CG2 4.16Å; F334-T338 WeakPolarHBondContact CE2-OG1 3.22Å; F334-T338 WeakPolarHBondContact O-CB 3.41Å; F334-T338 PolarHBondContact O-N 2.87Å; F334-T338 PolarHBondContact O-OG1 2.88Å; F334-T338 VanDerWaalsContact O-OG1 3.13Å; T338-T342 WeakPolarHBondContact O-CB 3.31Å; T338-T342 PolarHBondContact O-N 3.13Å; T338-T342 PolarHBondContact O-OG1 2.88Å
339	D	96.1	Very high	97.5	Very high	9 Å²	9	11 Å²	11	5%	0.048	7%	0.072	C	C	.	.	H	α-helix	trans	-73.2	-39.4	-163	-171.2	84.4	0	0	0	111.6	L242 I335 N343 T515	L242-D339 HydrophobicContact CD1-CB 3.93Å; L242-D339 WeakPolarHBondContact CD1-OD2 3.34Å; I335-D339 PolarHBondContact O-N 3.23Å; D339-N343 WeakPolarHBondContact O-CB 3.41Å; D339-N343 VanDerWaalsContact O-CG 3.29Å; D339-N343 PolarHBondContact O-N 3.4Å; D339-N343 PolarHBondContact O-ND2 2.98Å; D339-N343 PolarHBondContact OD2-ND2 3.13Å; D339-T515 VanDerWaalsContact OD2-CB 3.3Å; D339-T515 WeakPolarHBondContact OD2-CB 3.43Å; D339-T515 VanDerWaalsContact OD2-CG2 3.24Å; D339-T515 WeakPolarHBondContact OD2-CG2 3.37Å; D339-T515 PolarHBondContact OD2-OG1 3.4Å
340	T	97.8	Very high	97.5	Very high	34 Å²	34	11 Å²	11	21%	0.209	7%	0.072	C	C	.	.	H	α-helix	trans	-69.3	-45.4	-178	68.4	0	0	0	0	112.6	A336 S344 V401 T515	A336-T340 WeakPolarHBondContact O-CB 3.21Å; A336-T340 WeakPolarHBondContact O-CG2 3.33Å; A336-T340 PolarHBondContact O-OG1 2.69Å; T340-S344 WeakPolarHBondContact O-CB 3.47Å; T340-S344 PolarHBondContact O-N 2.96Å; T340-S344 PolarHBondContact O-OG 3.05Å; T340-V401 HydrophobicContact CG2-CG2 4.23Å; T340-T515 HydrophobicContact CG2-CG2 3.92Å
341	T	98.3	Very high	97.6	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-70.1	-41.4	179.5	-59.9	0	0	0	0	110.7	V211 G337 N343 S344 V345 E483	V211-T341 HydrophobicContact CB-CG2 4.45Å; V211-T341 HydrophobicContact CG1-CG2 3.64Å; V211-T341 HydrophobicContact CG2-CG2 3.89Å; G337-T341 WeakPolarHBondContact O-CB 3.38Å; G337-T341 PolarHBondContact O-OG1 3.4Å; T341-N343 PolarHBondContact O-N 3.45Å; T341-S344 PolarHBondContact O-N 3.34Å; T341-V345 HydrophobicContact CG2-CG2 4.46Å; T341-V345 WeakPolarHBondContact O-CG2 3.24Å; T341-V345 PolarHBondContact O-N 3.47Å; T341-E483 HydrophobicContact CG2-CB 3.81Å
342	T	98.3	Very high	97.6	Very high	8 Å²	8	11.3 Å²	11.3	5%	0.049	7%	0.07	C	C	.	.	H	α-helix	trans	-56	-54.4	175.2	-62.2	0	0	0	0	111.2	I207 S208 T338 S344 V345 L346	I207-T342 HydrophobicContact CG2-CG2 4.17Å; S208-T342 WeakPolarHBondContact CA-OG1 3.02Å; T338-T342 WeakPolarHBondContact O-CB 3.31Å; T338-T342 PolarHBondContact O-N 3.13Å; T338-T342 PolarHBondContact O-OG1 2.88Å; T342-S344 VanDerWaalsContact C-N 3.28Å; T342-S344 PolarHBondContact O-N 2.71Å; T342-V345 PolarHBondContact O-N 3.29Å; T342-L346 HydrophobicContact CG2-CD1 3.78Å; T342-L346 HydrophobicContact CG2-CG 4.33Å; T342-L346 VanDerWaalsContact O-CG 3.26Å; T342-L346 WeakPolarHBondContact O-CG 3.31Å; T342-L346 PolarHBondContact O-N 3.32Å
343	N	98.1	Very high	97.6	Very high	7 Å²	7	10.8 Å²	10.8	4%	0.037	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-37.9	-179.5	-72.9	-35.6	0	0	0	111.8	D339 T341 L346 W347 V400 A517	D339-N343 WeakPolarHBondContact O-CB 3.41Å; D339-N343 VanDerWaalsContact O-CG 3.29Å; D339-N343 PolarHBondContact O-N 3.4Å; D339-N343 PolarHBondContact O-ND2 2.98Å; D339-N343 PolarHBondContact OD2-ND2 3.13Å; T341-N343 PolarHBondContact O-N 3.45Å; N343-L346 PolarHBondContact O-N 3.45Å; N343-W347 WeakPolarHBondContact O-CB 3.42Å; N343-W347 PolarHBondContact O-N 3.46Å; N343-V400 HydrophobicContact CB-CG2 3.77Å; N343-A517 VanDerWaalsContact OD1-CB 3.23Å; N343-A517 WeakPolarHBondContact OD1-CB 3.43Å
344	S	98.6	Very high	97.6	Very high	9 Å²	9	12.1 Å²	12.1	6%	0.063	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-45.2	176.6	-60.4	0	0	0	0	112.2	T340 T341 T342 W347 V348	T340-S344 WeakPolarHBondContact O-CB 3.47Å; T340-S344 PolarHBondContact O-N 2.96Å; T340-S344 PolarHBondContact O-OG 3.05Å; T341-S344 PolarHBondContact O-N 3.34Å; T342-S344 VanDerWaalsContact C-N 3.28Å; T342-S344 PolarHBondContact O-N 2.71Å; S344-W347 PolarHBondContact O-N 2.86Å; S344-V348 WeakPolarHBondContact O-CG2 3.35Å; S344-V348 PolarHBondContact O-N 3.39Å
345	V	98.7	Very high	97.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64	-44.5	175.8	173.3	0	0	0	0	110.8	I207 T341 T342 W347 V348 L349 L484 T487	I207-V345 HydrophobicContact CD1-CG1 3.97Å; I207-V345 HydrophobicContact CG1-CG1 4.41Å; I207-V345 HydrophobicContact CG2-CB 3.87Å; I207-V345 HydrophobicContact CG2-CG1 3.76Å; T341-V345 HydrophobicContact CG2-CG2 4.46Å; T341-V345 WeakPolarHBondContact O-CG2 3.24Å; T341-V345 PolarHBondContact O-N 3.47Å; T342-V345 PolarHBondContact O-N 3.29Å; V345-W347 VanDerWaalsContact C-N 3.33Å; V345-W347 PolarHBondContact O-N 2.65Å; V345-V348 PolarHBondContact O-N 2.8Å; V345-V348 VanDerWaalsContact O-N 3.12Å; V345-L349 HydrophobicContact CG1-CD1 4.18Å; V345-L349 HydrophobicContact CG1-CG 4.35Å; V345-L349 WeakPolarHBondContact O-CG 3.35Å; V345-L349 PolarHBondContact O-N 3.05Å; V345-L484 HydrophobicContact CG2-CD2 3.65Å; V345-T487 HydrophobicContact CG1-CG2 3.88Å; V345-T487 HydrophobicContact CG2-CG2 4.23Å
346	L	98.4	Very high	97.6	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-62.1	-40.7	179.1	-67.7	172.9	0	0	0	112.1	P203 I207 T342 N343 L349 L350 P518 F521	P203-L346 HydrophobicContact CB-CD2 4.2Å; P203-L346 HydrophobicContact CG-CD2 3.75Å; I207-L346 HydrophobicContact CB-CD2 4.21Å; I207-L346 HydrophobicContact CG1-CD2 4.06Å; I207-L346 HydrophobicContact CG2-CD2 4.48Å; I207-L346 HydrophobicContact CG2-CG 4.44Å; T342-L346 HydrophobicContact CG2-CD1 3.78Å; T342-L346 HydrophobicContact CG2-CG 4.33Å; T342-L346 VanDerWaalsContact O-CG 3.26Å; T342-L346 WeakPolarHBondContact O-CG 3.31Å; T342-L346 PolarHBondContact O-N 3.32Å; N343-L346 PolarHBondContact O-N 3.45Å; L346-L349 PolarHBondContact O-N 3.45Å; L346-L350 WeakPolarHBondContact O-CB 3.44Å; L346-L350 PolarHBondContact O-N 2.91Å; L346-P518 HydrophobicContact CB-CG 3.68Å; L346-P518 HydrophobicContact CD1-CG 4.4Å; L346-F521 HydrophobicContact CB-CE1 4.28Å; L346-F521 HydrophobicContact CB-CZ 4.36Å; L346-F521 HydrophobicContact CD2-CZ 4.38Å; L346-F521 WeakPolarHBondContact O-CZ 3.4Å
347	W	98.6	Very high	97.7	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-45.4	171.7	-81.6	123.4	0	0	0	111.9	N343 S344 V345 L349 L350 Y351 V394 T398 L508 L516 P518	N343-W347 WeakPolarHBondContact O-CB 3.42Å; N343-W347 PolarHBondContact O-N 3.46Å; S344-W347 PolarHBondContact O-N 2.86Å; V345-W347 VanDerWaalsContact C-N 3.33Å; V345-W347 PolarHBondContact O-N 2.65Å; W347-L349 PolarHBondContact O-N 2.81Å; W347-L350 HydrophobicContact CE3-CD2 3.98Å; W347-L350 HydrophobicContact CZ3-CD2 3.81Å; W347-L350 PolarHBondContact O-N 3.41Å; W347-Y351 HydrophobicContact CE3-CD2 4.17Å; W347-Y351 AromaticContact CE3-CE2 3.78Å; W347-Y351 HydrophobicContact CE3-CE2 3.78Å; W347-Y351 HydrophobicContact CZ3-CE2 4.21Å; W347-Y351 WeakPolarHBondContact O-CD2 3.37Å; W347-Y351 PolarHBondContact O-N 3.13Å; W347-V394 HydrophobicContact CB-CG1 3.74Å; W347-T398 HydrophobicContact CB-CG2 3.89Å; W347-T398 HydrophobicContact CD2-CG2 3.5Å; W347-T398 HydrophobicContact CE3-CG2 3.78Å; W347-T398 HydrophobicContact CG-CG2 3.56Å; W347-T398 HydrophobicContact CZ3-CG2 4.48Å; W347-L508 WeakPolarHBondContact CH2-O 3.4Å; W347-L508 HydrophobicContact CZ3-CD2 3.9Å; W347-L516 HydrophobicContact CZ2-CD2 4.2Å; W347-L516 HydrophobicContact CZ2-CG 4.05Å; W347-L516 PolarHBondContact NE1-O 3.39Å; W347-P518 HydrophobicContact CD2-CB 4.02Å; W347-P518 HydrophobicContact CD2-CG 4.36Å; W347-P518 HydrophobicContact CE3-CB 4.07Å; W347-P518 HydrophobicContact CH2-CB 4.05Å; W347-P518 VanDerWaalsContact CZ2-CA 3.47Å; W347-P518 HydrophobicContact CZ2-CB 3.99Å; W347-P518 HydrophobicContact CZ3-CB 4.08Å
348	V	98.7	Very high	97.9	Very high	2 Å²	2	21 Å²	21	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-60.2	-46.6	178.7	174.4	0	0	0	0	111	S344 V345 L350 Y351 L352 I391 V394 V488	S344-V348 WeakPolarHBondContact O-CG2 3.35Å; S344-V348 PolarHBondContact O-N 3.39Å; V345-V348 PolarHBondContact O-N 2.8Å; V345-V348 VanDerWaalsContact O-N 3.12Å; V348-L350 VanDerWaalsContact C-N 3.33Å; V348-L350 PolarHBondContact O-N 3.17Å; V348-Y351 PolarHBondContact O-N 2.89Å; V348-L352 HydrophobicContact CG1-CD1 3.76Å; V348-L352 HydrophobicContact CG1-CG 4.28Å; V348-L352 WeakPolarHBondContact O-CB 3.46Å; V348-L352 VanDerWaalsContact O-CG 3.31Å; V348-L352 WeakPolarHBondContact O-CG 3.29Å; V348-L352 PolarHBondContact O-N 2.85Å; V348-I391 HydrophobicContact CG1-CG1 4.47Å; V348-I391 HydrophobicContact CG2-CG2 4.5Å; V348-V394 HydrophobicContact CB-CG1 4.48Å; V348-V394 HydrophobicContact CG2-CB 3.87Å; V348-V394 HydrophobicContact CG2-CG1 3.79Å; V348-V394 HydrophobicContact CG2-CG2 4.27Å; V348-V488 HydrophobicContact CB-CG2 4.05Å; V348-V488 HydrophobicContact CG1-CB 4.33Å; V348-V488 HydrophobicContact CG1-CG1 3.69Å; V348-V488 HydrophobicContact CG1-CG2 3.61Å; V348-V488 HydrophobicContact CG2-CG2 4.45Å
349	L	98.4	Very high	97.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-41.1	177.1	-66	178.5	0	0	0	112.1	I207 V345 L346 W347 A353 L491 F497 L523	I207-L349 HydrophobicContact CD1-CD1 4.25Å; I207-L349 HydrophobicContact CG1-CD1 4.41Å; V345-L349 HydrophobicContact CG1-CD1 4.18Å; V345-L349 HydrophobicContact CG1-CG 4.35Å; V345-L349 WeakPolarHBondContact O-CG 3.35Å; V345-L349 PolarHBondContact O-N 3.05Å; L346-L349 PolarHBondContact O-N 3.45Å; W347-L349 PolarHBondContact O-N 2.81Å; L349-A353 VanDerWaalsContact O-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CB 3.49Å; L349-A353 PolarHBondContact O-N 3.21Å; L349-L491 HydrophobicContact CD1-CD1 4.3Å; L349-L491 HydrophobicContact CD2-CD1 4.26Å; L349-F497 HydrophobicContact CD2-CD2 4.12Å; L349-F497 HydrophobicContact CD2-CE1 4.46Å; L349-F497 HydrophobicContact CD2-CE2 3.9Å; L349-F497 HydrophobicContact CD2-CZ 4.08Å; L349-L523 HydrophobicContact CB-CD1 4.1Å
350	L	98.1	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-47.7	177.8	177.3	56.4	0	0	0	112	L346 W347 V348 A353 L354 L499 P506 L508 P518 F521	L346-L350 WeakPolarHBondContact O-CB 3.44Å; L346-L350 PolarHBondContact O-N 2.91Å; W347-L350 HydrophobicContact CE3-CD2 3.98Å; W347-L350 HydrophobicContact CZ3-CD2 3.81Å; W347-L350 PolarHBondContact O-N 3.41Å; V348-L350 VanDerWaalsContact C-N 3.33Å; V348-L350 PolarHBondContact O-N 3.17Å; L350-A353 PolarHBondContact O-N 3.11Å; L350-L354 HydrophobicContact CD1-CD1 3.88Å; L350-L354 HydrophobicContact CD1-CG 4.25Å; L350-L354 HydrophobicContact CG-CD1 3.98Å; L350-L354 WeakPolarHBondContact O-CB 3.47Å; L350-L354 WeakPolarHBondContact O-CG 3.49Å; L350-L354 PolarHBondContact O-N 3.22Å; L350-L499 HydrophobicContact CD1-CD2 4.49Å; L350-P506 HydrophobicContact CD1-CB 3.95Å; L350-P506 HydrophobicContact CD1-CG 3.79Å; L350-P506 HydrophobicContact CD2-CB 4.45Å; L350-L508 HydrophobicContact CD2-CD2 3.99Å; L350-L508 HydrophobicContact CG-CD2 4.32Å; L350-P518 HydrophobicContact CD2-CB 4.09Å; L350-F521 HydrophobicContact CB-CD2 4.43Å; L350-F521 HydrophobicContact CB-CE1 4.27Å; L350-F521 HydrophobicContact CB-CE2 3.9Å; L350-F521 HydrophobicContact CB-CZ 3.82Å; L350-F521 HydrophobicContact CD1-CD2 3.91Å; L350-F521 HydrophobicContact CD1-CE2 4.21Å; L350-F521 HydrophobicContact CD1-CG 4.15Å; L350-F521 HydrophobicContact CD2-CD1 4.41Å
351	Y	98.1	Very high	98	Very high	14 Å²	14	26.7 Å²	26.7	6%	0.055	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-45.6	177.3	-88.5	-92.7	0	0	0	111.1	W347 V348 A353 L354 Y355 V394 L397 T398 F446 L508	W347-Y351 HydrophobicContact CE3-CD2 4.17Å; W347-Y351 AromaticContact CE3-CE2 3.78Å; W347-Y351 HydrophobicContact CE3-CE2 3.78Å; W347-Y351 HydrophobicContact CZ3-CE2 4.21Å; W347-Y351 WeakPolarHBondContact O-CD2 3.37Å; W347-Y351 PolarHBondContact O-N 3.13Å; V348-Y351 PolarHBondContact O-N 2.89Å; Y351-A353 VanDerWaalsContact C-N 3.29Å; Y351-A353 PolarHBondContact O-N 3.44Å; Y351-L354 CarbonylContact O-C 3.44Å; Y351-L354 PolarHBondContact O-N 2.66Å; Y351-L354 VanDerWaalsContact O-N 3.08Å; Y351-Y355 HydrophobicContact CD1-CD2 4.28Å; Y351-Y355 AromaticContact CD1-CE2 3.95Å; Y351-Y355 HydrophobicContact CD1-CE2 3.95Å; Y351-Y355 HydrophobicContact CE1-CE2 4.43Å; Y351-Y355 VanDerWaalsContact O-CD2 3.27Å; Y351-Y355 WeakPolarHBondContact O-CD2 3.04Å; Y351-Y355 PolarHBondContact O-N 3.09Å; Y351-V394 HydrophobicContact CD2-CG1 3.92Å; Y351-V394 HydrophobicContact CD2-CG2 4.2Å; Y351-V394 HydrophobicContact CE2-CG1 4.43Å; Y351-V394 HydrophobicContact CG-CG1 4.48Å; Y351-V394 HydrophobicContact CG-CG2 3.92Å; Y351-L397 HydrophobicContact CD1-CD1 4.45Å; Y351-L397 HydrophobicContact CE1-CD1 3.68Å; Y351-T398 HydrophobicContact CD2-CG2 4.38Å; Y351-T398 HydrophobicContact CE2-CG2 3.58Å; Y351-F446 HydrophobicContact CD1-CB 4.13Å; Y351-F446 HydrophobicContact CD1-CD1 4.28Å; Y351-F446 AromaticContact CD1-CD2 3.94Å; Y351-F446 HydrophobicContact CD1-CD2 3.94Å; Y351-F446 HydrophobicContact CD1-CE2 4.47Å; Y351-F446 AromaticContact CD1-CG 3.85Å; Y351-F446 HydrophobicContact CD1-CG 3.85Å; Y351-F446 HydrophobicContact CE1-CB 4.2Å; Y351-F446 HydrophobicContact CE1-CD2 4.44Å; Y351-F446 HydrophobicContact CE1-CG 4.37Å; Y351-L508 HydrophobicContact CE1-CD1 4.42Å; Y351-L508 HydrophobicContact CE2-CD2 4.21Å
352	L	98.1	Very high	98	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-31.2	179	-66.4	177.8	0	0	0	113	V348 Y355 I358 Q359 V488 L492	V348-L352 HydrophobicContact CG1-CD1 3.76Å; V348-L352 HydrophobicContact CG1-CG 4.28Å; V348-L352 WeakPolarHBondContact O-CB 3.46Å; V348-L352 VanDerWaalsContact O-CG 3.31Å; V348-L352 WeakPolarHBondContact O-CG 3.29Å; V348-L352 PolarHBondContact O-N 2.85Å; L352-Y355 CarbonylContact O-C 3.59Å; L352-I358 HydrophobicContact CD2-CG2 3.96Å; L352-Q359 HydrophobicContact CB-CB 4.19Å; L352-Q359 HydrophobicContact CB-CG 4.16Å; L352-Q359 HydrophobicContact CD2-CB 4.48Å; L352-Q359 PolarHBondContact O-NE2 3.1Å; L352-V488 HydrophobicContact CD1-CG1 4.34Å; L352-L492 HydrophobicContact CD1-CD1 3.44Å; L352-L492 VanDerWaalsContact CD1-CD1 3.44Å; L352-L492 HydrophobicContact CD1-CD2 4.16Å; L352-L492 HydrophobicContact CD1-CG 4.33Å
353	A	96.9	Very high	98.1	Very high	6 Å²	6	26.8 Å²	26.8	5%	0.05	14%	0.135	C	C	.	.	H	α-helix	trans	-70.1	-31.5	172.1	0	0	0	0	0	112.9	L349 L350 Y351 F497 L499 L523	L349-A353 VanDerWaalsContact O-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CB 3.49Å; L349-A353 PolarHBondContact O-N 3.21Å; L350-A353 PolarHBondContact O-N 3.11Å; Y351-A353 VanDerWaalsContact C-N 3.29Å; Y351-A353 PolarHBondContact O-N 3.44Å; A353-F497 HydrophobicContact CB-CB 4.39Å; A353-L499 HydrophobicContact CB-CD2 4.33Å; A353-L523 HydrophobicContact CB-CD2 3.54Å
354	L	96.2	Very high	98.1	Very high	46 Å²	46	29.1 Å²	29.1	24%	0.241	16%	0.156	C	C	.	.	H	α-helix	trans	-78.5	-25.2	176	-77.6	165.5	0	0	0	113.5	L350 Y351 P356 L499 A505 L508	L350-L354 HydrophobicContact CD1-CD1 3.88Å; L350-L354 HydrophobicContact CD1-CG 4.25Å; L350-L354 HydrophobicContact CG-CD1 3.98Å; L350-L354 WeakPolarHBondContact O-CB 3.47Å; L350-L354 WeakPolarHBondContact O-CG 3.49Å; L350-L354 PolarHBondContact O-N 3.22Å; Y351-L354 CarbonylContact O-C 3.44Å; Y351-L354 PolarHBondContact O-N 2.66Å; Y351-L354 VanDerWaalsContact O-N 3.08Å; L354-P356 VanDerWaalsContact C-CD 3.48Å; L354-P356 WeakPolarHBondContact O-CD 3.25Å; L354-L499 HydrophobicContact CD2-CD1 3.58Å; L354-L499 HydrophobicContact CG-CD1 4.29Å; L354-A505 HydrophobicContact CD2-CB 4.2Å; L354-L508 HydrophobicContact CD1-CD1 4.38Å; L354-L508 HydrophobicContact CD1-CD2 3.7Å; L354-L508 HydrophobicContact CD1-CG 4.36Å
355	Y	97.1	Very high	98	Very high	92 Å²	92	29.2 Å²	29.2	36%	0.361	16%	0.155	S	C	.	.			trans	-122.5	74.6	-179.6	-65.2	-92.7	0	0	0	110.8	Y351 L352 D357 I358 Q359 F446	Y351-Y355 HydrophobicContact CD1-CD2 4.28Å; Y351-Y355 AromaticContact CD1-CE2 3.95Å; Y351-Y355 HydrophobicContact CD1-CE2 3.95Å; Y351-Y355 HydrophobicContact CE1-CE2 4.43Å; Y351-Y355 VanDerWaalsContact O-CD2 3.27Å; Y351-Y355 WeakPolarHBondContact O-CD2 3.04Å; Y351-Y355 PolarHBondContact O-N 3.09Å; L352-Y355 CarbonylContact O-C 3.59Å; Y355-D357 VanDerWaalsContact C-N 3.29Å; Y355-D357 PolarHBondContact O-N 2.94Å; Y355-I358 PolarHBondContact O-N 2.62Å; Y355-I358 VanDerWaalsContact O-N 3.16Å; Y355-Q359 PolarHBondContact O-N 2.96Å; Y355-Q359 VanDerWaalsContact O-N 3.15Å; Y355-F446 AromaticContact CD1-CD1 3.99Å; Y355-F446 HydrophobicContact CD1-CD1 3.99Å; Y355-F446 AromaticContact CD2-CD1 3.5Å; Y355-F446 HydrophobicContact CD2-CD1 3.5Å; Y355-F446 HydrophobicContact CD2-CE1 4.09Å; Y355-F446 HydrophobicContact CD2-CG 4.3Å; Y355-F446 HydrophobicContact CE1-CB 4.35Å; Y355-F446 HydrophobicContact CE1-CD1 4.31Å; Y355-F446 HydrophobicContact CE2-CB 4.01Å; Y355-F446 AromaticContact CE2-CD1 3.88Å; Y355-F446 HydrophobicContact CE2-CD1 3.88Å; Y355-F446 HydrophobicContact CE2-CG 4.25Å; Y355-F446 AromaticContact CG-CD1 3.58Å; Y355-F446 HydrophobicContact CG-CD1 3.58Å; Y355-F446 HydrophobicContact CG-CE1 4.08Å
356	P	96.4	Very high	98	Very high	33 Å²	33	29.2 Å²	29.2	21%	0.214	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-36.7	-175.2	-27.4	36.2	0	0	0	114.9	L354 I358 Q359 D360 R498	L354-P356 VanDerWaalsContact C-CD 3.48Å; L354-P356 WeakPolarHBondContact O-CD 3.25Å; P356-I358 VanDerWaalsContact C-N 3.27Å; P356-I358 PolarHBondContact O-N 2.91Å; P356-Q359 CarbonylContact O-C 3.53Å; P356-Q359 WeakPolarHBondContact O-CA 3.46Å; P356-Q359 WeakPolarHBondContact O-CB 3.4Å; P356-Q359 PolarHBondContact O-N 3.48Å; P356-D360 VanDerWaalsContact O-CG 3.24Å; P356-D360 PolarHBondContact O-N 3.33Å; P356-R498 VanDerWaalsContact CB-NH1 3.3Å
357	D	98.1	Very high	98	Very high	135 Å²	135	29.9 Å²	29.9	72%	0.722	16%	0.159	S	C	*	.	H	α-helix	trans	-61.3	-39.4	-179.8	-55.6	-30	0	0	0	111.4	Y355 D360 E361	Y355-D357 VanDerWaalsContact C-N 3.29Å; Y355-D357 PolarHBondContact O-N 2.94Å; D357-D360 PolarHBondContact O-N 3.5Å; D357-E361 PolarHBondContact O-N 2.84Å
358	I	98.5	Very high	97.9	Very high	33 Å²	33	38.7 Å²	38.7	17%	0.169	19%	0.192	C	C	.	.	H	α-helix	trans	-69.3	-38.8	175.1	-59.1	-61.5	0	0	0	110.8	L352 Y355 P356 D360 E361 V362 F386 F446 P448	L352-I358 HydrophobicContact CD2-CG2 3.96Å; Y355-I358 PolarHBondContact O-N 2.62Å; Y355-I358 VanDerWaalsContact O-N 3.16Å; P356-I358 VanDerWaalsContact C-N 3.27Å; P356-I358 PolarHBondContact O-N 2.91Å; I358-D360 VanDerWaalsContact C-N 3.33Å; I358-E361 PolarHBondContact O-N 3.49Å; I358-V362 WeakPolarHBondContact O-CG2 3.39Å; I358-V362 PolarHBondContact O-N 3.3Å; I358-F386 HydrophobicContact CD1-CZ 4.16Å; I358-F386 HydrophobicContact CG2-CE1 4.11Å; I358-F386 HydrophobicContact CG2-CZ 4.15Å; I358-F446 HydrophobicContact CB-CE1 4.13Å; I358-F446 HydrophobicContact CG1-CE1 4.06Å; I358-F446 HydrophobicContact CG2-CE1 3.82Å; I358-F446 HydrophobicContact CG2-CZ 4.07Å; I358-P448 HydrophobicContact CD1-CG 4.36Å; I358-P448 HydrophobicContact CG2-CG 3.77Å
359	Q	98.6	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-44	175.3	-168.8	-175.6	154.3	0	0	111.3	L352 Y355 P356 E361 V362 Q363 L492 F497	L352-Q359 HydrophobicContact CB-CB 4.19Å; L352-Q359 HydrophobicContact CB-CG 4.16Å; L352-Q359 HydrophobicContact CD2-CB 4.48Å; L352-Q359 PolarHBondContact O-NE2 3.1Å; Y355-Q359 PolarHBondContact O-N 2.96Å; Y355-Q359 VanDerWaalsContact O-N 3.15Å; P356-Q359 CarbonylContact O-C 3.53Å; P356-Q359 WeakPolarHBondContact O-CA 3.46Å; P356-Q359 WeakPolarHBondContact O-CB 3.4Å; P356-Q359 PolarHBondContact O-N 3.48Å; Q359-E361 VanDerWaalsContact C-N 3.31Å; Q359-E361 PolarHBondContact O-N 3.04Å; Q359-V362 PolarHBondContact O-N 3.25Å; Q359-Q363 VanDerWaalsContact O-CB 3.26Å; Q359-Q363 WeakPolarHBondContact O-CB 3.36Å; Q359-Q363 VanDerWaalsContact O-CG 3.23Å; Q359-Q363 WeakPolarHBondContact O-CG 3.43Å; Q359-Q363 PolarHBondContact O-N 3.24Å; Q359-L492 HydrophobicContact CG-CD2 3.77Å; Q359-F497 PolarHBondContact NE2-O 2.92Å
360	D	98.3	Very high	97.8	Very high	65 Å²	65	41.8 Å²	41.8	35%	0.348	21%	0.211	S	C	.	.	H	α-helix	trans	-64.9	-36.3	179.5	-66.4	-16.6	0	0	0	110.7	P356 D357 I358 Q363 A364 R498	P356-D360 VanDerWaalsContact O-CG 3.24Å; P356-D360 PolarHBondContact O-N 3.33Å; D357-D360 PolarHBondContact O-N 3.5Å; I358-D360 VanDerWaalsContact C-N 3.33Å; D360-Q363 WeakPolarHBondContact O-CB 3.49Å; D360-Q363 PolarHBondContact O-N 3.25Å; D360-A364 WeakPolarHBondContact O-CB 3.16Å; D360-A364 PolarHBondContact O-N 2.92Å; D360-R498 IonicContact OD1-NH2 3.96Å; D360-R498 IonicContact OD2-NH2 3.58Å
361	E	98.2	Very high	97.6	Very high	101 Å²	101	42.7 Å²	42.7	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-68.6	-43.6	174.2	-171.2	174	-178.5	0	0	112.9	D357 I358 Q359 Q363 A364 E365 F386	D357-E361 PolarHBondContact O-N 2.84Å; I358-E361 PolarHBondContact O-N 3.49Å; Q359-E361 VanDerWaalsContact C-N 3.31Å; Q359-E361 PolarHBondContact O-N 3.04Å; E361-Q363 VanDerWaalsContact C-N 3.3Å; E361-Q363 PolarHBondContact O-N 3.03Å; E361-A364 PolarHBondContact O-N 2.56Å; E361-E365 PolarHBondContact O-N 2.99Å; E361-F386 HydrophobicContact CB-CD1 4.23Å; E361-F386 HydrophobicContact CB-CE1 3.57Å; E361-F386 HydrophobicContact CB-CZ 3.96Å; E361-F386 HydrophobicContact CG-CD1 3.78Å; E361-F386 HydrophobicContact CG-CD2 4.41Å; E361-F386 HydrophobicContact CG-CE1 3.47Å; E361-F386 VanDerWaalsContact CG-CE1 3.47Å; E361-F386 HydrophobicContact CG-CE2 4.16Å; E361-F386 HydrophobicContact CG-CG 4.25Å; E361-F386 HydrophobicContact CG-CZ 3.68Å; E361-F386 WeakPolarHBondContact OE1-CE2 3.46Å; E361-F386 WeakPolarHBondContact OE2-CE2 3.38Å; E361-F386 WeakPolarHBondContact OE2-CZ 3.23Å
362	V	98.6	Very high	97.2	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-46.2	171.9	169.5	0	0	0	0	110.5	I358 Q359 A364 E365 I366 F386 T387 A390 L492	I358-V362 WeakPolarHBondContact O-CG2 3.39Å; I358-V362 PolarHBondContact O-N 3.3Å; Q359-V362 PolarHBondContact O-N 3.25Å; V362-A364 PolarHBondContact O-N 3.39Å; V362-E365 PolarHBondContact O-N 2.59Å; V362-I366 HydrophobicContact CG1-CD1 3.76Å; V362-I366 HydrophobicContact CG1-CG1 4.5Å; V362-I366 VanDerWaalsContact O-CG1 3.3Å; V362-I366 WeakPolarHBondContact O-CG1 3.45Å; V362-I366 PolarHBondContact O-N 2.94Å; V362-F386 HydrophobicContact CG2-CD1 3.71Å; V362-F386 HydrophobicContact CG2-CE1 3.71Å; V362-T387 HydrophobicContact CG1-CG2 3.9Å; V362-A390 HydrophobicContact CG2-CB 3.93Å; V362-L492 HydrophobicContact CB-CD1 4.35Å; V362-L492 HydrophobicContact CG1-CD1 3.45Å; V362-L492 VanDerWaalsContact CG1-CD1 3.45Å
363	Q	98.6	Very high	96.7	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-42.1	179	-82.7	-174.2	7.2	0	0	112.7	Q359 D360 E361 I366 D367 L492 C495 T496	Q359-Q363 VanDerWaalsContact O-CB 3.26Å; Q359-Q363 WeakPolarHBondContact O-CB 3.36Å; Q359-Q363 VanDerWaalsContact O-CG 3.23Å; Q359-Q363 WeakPolarHBondContact O-CG 3.43Å; Q359-Q363 PolarHBondContact O-N 3.24Å; D360-Q363 WeakPolarHBondContact O-CB 3.49Å; D360-Q363 PolarHBondContact O-N 3.25Å; E361-Q363 VanDerWaalsContact C-N 3.3Å; E361-Q363 PolarHBondContact O-N 3.03Å; Q363-I366 PolarHBondContact O-N 2.9Å; Q363-D367 WeakPolarHBondContact O-CB 3.41Å; Q363-D367 VanDerWaalsContact O-CG 3.26Å; Q363-D367 PolarHBondContact O-N 2.94Å; Q363-L492 HydrophobicContact CG-CB 4.27Å; Q363-C495 PolarHBondContact NE2-O 3.31Å; Q363-C495 VanDerWaalsContact NE2-O 3.14Å; Q363-T496 PolarHBondContact NE2-OG1 3.41Å; Q363-T496 VanDerWaalsContact NE2-OG1 3.08Å; Q363-T496 PolarHBondContact OE1-OG1 3.3Å
364	A	98.2	Very high	96.5	Very high	57 Å²	57	61.3 Å²	61.3	47%	0.471	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-39.4	176.3	0	0	0	0	0	112.1	D360 E361 V362 D367 R368	D360-A364 WeakPolarHBondContact O-CB 3.16Å; D360-A364 PolarHBondContact O-N 2.92Å; E361-A364 PolarHBondContact O-N 2.56Å; V362-A364 PolarHBondContact O-N 3.39Å; A364-D367 PolarHBondContact O-N 2.69Å; A364-R368 WeakPolarHBondContact O-CB 3.4Å; A364-R368 PolarHBondContact O-N 3.46Å
365	E	98.3	Very high	96.4	Very high	11 Å²	11	62.4 Å²	62.4	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-47.7	174.5	-171.3	-173.2	-125	0	0	111.5	E361 V362 D367 R368 V369 L384 P385 F386 T387	E361-E365 PolarHBondContact O-N 2.99Å; V362-E365 PolarHBondContact O-N 2.59Å; E365-D367 PolarHBondContact O-N 2.93Å; E365-R368 PolarHBondContact O-N 3.01Å; E365-V369 WeakPolarHBondContact O-CB 3.29Å; E365-V369 WeakPolarHBondContact O-CG2 3.35Å; E365-V369 PolarHBondContact O-N 2.82Å; E365-L384 HydrophobicContact CG-CD2 3.78Å; E365-L384 VanDerWaalsContact OE2-C 3.28Å; E365-L384 WeakPolarHBondContact OE2-CA 3.46Å; E365-P385 WeakPolarHBondContact OE1-CD 3.5Å; E365-F386 VanDerWaalsContact OE1-CB 3.29Å; E365-F386 WeakPolarHBondContact OE1-CB 3.44Å; E365-F386 PolarHBondContact OE1-N 2.95Å; E365-F386 PolarHBondContact OE2-N 2.77Å; E365-T387 WeakPolarHBondContact OE2-CB 3.23Å; E365-T387 PolarHBondContact OE2-N 3.47Å; E365-T387 PolarHBondContact OE2-OG1 2.97Å
366	I	98.4	Very high	96.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-47	177.3	-68.5	165.2	0	0	0	110.6	V362 Q363 R368 V369 V370 G371 L384 L492 Q493	V362-I366 HydrophobicContact CG1-CD1 3.76Å; V362-I366 HydrophobicContact CG1-CG1 4.5Å; V362-I366 VanDerWaalsContact O-CG1 3.3Å; V362-I366 WeakPolarHBondContact O-CG1 3.45Å; V362-I366 PolarHBondContact O-N 2.94Å; Q363-I366 PolarHBondContact O-N 2.9Å; I366-R368 VanDerWaalsContact C-N 3.33Å; I366-R368 PolarHBondContact O-N 3.2Å; I366-V369 PolarHBondContact O-N 3.17Å; I366-V370 HydrophobicContact CG2-CB 4.42Å; I366-V370 WeakPolarHBondContact O-CA 3.41Å; I366-V370 WeakPolarHBondContact O-CB 3.5Å; I366-V370 PolarHBondContact O-N 3.4Å; I366-G371 PolarHBondContact O-N 2.9Å; I366-L384 HydrophobicContact CG1-CD1 4.29Å; I366-L384 HydrophobicContact CG1-CD2 4.43Å; I366-L492 HydrophobicContact CD1-CB 3.97Å; I366-Q493 HydrophobicContact CG2-CB 3.87Å; I366-Q493 HydrophobicContact CG2-CG 3.96Å
367	D	97.5	Very high	96.4	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-40.2	179.8	-75.8	-20.8	0	0	0	112	Q363 A364 E365 G371 R372 R528 F533	Q363-D367 WeakPolarHBondContact O-CB 3.41Å; Q363-D367 VanDerWaalsContact O-CG 3.26Å; Q363-D367 PolarHBondContact O-N 2.94Å; A364-D367 PolarHBondContact O-N 2.69Å; E365-D367 PolarHBondContact O-N 2.93Å; D367-G371 WeakPolarHBondContact O-CA 3.34Å; D367-G371 PolarHBondContact O-N 3.46Å; D367-G371 VanDerWaalsContact O-N 3.15Å; D367-R372 IonicContact OD1-CZ 3.57Å; D367-R372 IonicContact OD1-NE 3.74Å; D367-R372 PolarHBondContact OD1-NE 3.05Å; D367-R372 IonicContact OD1-NH2 2.68Å; D367-R372 IonicContact OD2-CZ 3.48Å; D367-R372 IonicContact OD2-NE 3.54Å; D367-R372 IonicContact OD2-NH2 3.88Å; D367-R372 PolarHBondContact OD2-NH2 3.25Å; D367-R528 IonicContact OD1-CZ 3.51Å; D367-R528 IonicContact OD1-NH1 3.58Å; D367-R528 PolarHBondContact OD1-NH1 2.66Å; D367-R528 IonicContact OD1-NH2 3.05Å; D367-R528 IonicContact OD2-CZ 3.73Å; D367-R528 IonicContact OD2-NH1 2.79Å; D367-R528 IonicContact OD2-NH2 3.12Å; D367-R528 PolarHBondContact OD2-NH2 3.38Å; D367-F533 HydrophobicContact CB-CE2 4.16Å
368	R	97.1	Very high	96.2	Very high	186 Å²	186	52.3 Å²	52.3	70%	0.702	25%	0.251	S	S	*	.	H	α-helix	trans	-67.2	-40.3	178.9	-178.5	-178.7	64.3	-162.8	-2.9	112.9	A364 E365 I366	A364-R368 WeakPolarHBondContact O-CB 3.4Å; A364-R368 PolarHBondContact O-N 3.46Å; E365-R368 PolarHBondContact O-N 3.01Å; I366-R368 VanDerWaalsContact C-N 3.33Å; I366-R368 PolarHBondContact O-N 3.2Å
369	V	97.2	Very high	96.1	Very high	52 Å²	52	55.2 Å²	55.2	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-94.8	-44.6	-169.8	174.1	0	0	0	0	112.2	E365 I366 L384	E365-V369 WeakPolarHBondContact O-CB 3.29Å; E365-V369 WeakPolarHBondContact O-CG2 3.35Å; E365-V369 PolarHBondContact O-N 2.82Å; I366-V369 PolarHBondContact O-N 3.17Å; V369-L384 HydrophobicContact CB-CD2 3.66Å; V369-L384 HydrophobicContact CG1-CD2 3.89Å; V369-L384 HydrophobicContact CG1-CG 4.39Å; V369-L384 HydrophobicContact CG2-CD2 3.97Å
370	V	96.9	Very high	96	Very high	15 Å²	15	55.9 Å²	55.9	9%	0.091	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-35.5	-176.3	-174.7	0	0	0	0	110.9	I366 R374 P376 D380 L384	I366-V370 HydrophobicContact CG2-CB 4.42Å; I366-V370 WeakPolarHBondContact O-CA 3.41Å; I366-V370 WeakPolarHBondContact O-CB 3.5Å; I366-V370 PolarHBondContact O-N 3.4Å; V370-R374 HydrophobicContact CG1-CG 4.36Å; V370-P376 HydrophobicContact CG1-CB 4.48Å; V370-P376 HydrophobicContact CG1-CG 4.39Å; V370-D380 HydrophobicContact CG2-CB 3.97Å; V370-L384 HydrophobicContact CG2-CD1 4.08Å; V370-L384 HydrophobicContact CG2-CD2 4.47Å
371	G	94.4	Very high	95.8	Very high	20 Å²	20	55.6 Å²	55.6	21%	0.206	27%	0.268	C	S	.	.			trans	72.4	-163.5	-169.3	0	0	0	0	0	112	I366 D367 Q493	I366-G371 PolarHBondContact O-N 2.9Å; D367-G371 WeakPolarHBondContact O-CA 3.34Å; D367-G371 PolarHBondContact O-N 3.46Å; D367-G371 VanDerWaalsContact O-N 3.15Å; G371-Q493 PolarHBondContact O-NE2 3.06Å
372	R	89.1	Confident	95.6	Very high	52 Å²	52	54.3 Å²	54.3	20%	0.196	28%	0.281	C	S	.	.	S	Bend	trans	-114	-1.9	-177.7	-60.2	-169.3	-179.1	-179.6	10.3	115	D367 S529	D367-R372 IonicContact OD1-CZ 3.57Å; D367-R372 IonicContact OD1-NE 3.74Å; D367-R372 PolarHBondContact OD1-NE 3.05Å; D367-R372 IonicContact OD1-NH2 2.68Å; D367-R372 IonicContact OD2-CZ 3.48Å; D367-R372 IonicContact OD2-NE 3.54Å; D367-R372 IonicContact OD2-NH2 3.88Å; D367-R372 PolarHBondContact OD2-NH2 3.25Å; R372-S529 PolarHBondContact NH1-O 3.18Å
373	R	88.4	Confident	95.6	Very high	258 Å²	258	57.5 Å²	57.5	97%	0.974	30%	0.304	S	S	*	.	S	Bend	trans	-82.5	-17	-175.3	-65.6	-175.2	-178.1	179.9	1.4	114.7
374	R	93.1	Very high	95.5	Very high	103 Å²	103	57 Å²	57	39%	0.389	30%	0.302	S	S	.	.	S	Bend	trans	-141.4	152.6	179.2	66.4	171.3	-178	85.2	-3.6	109.8	V370 D380 Q493	V370-R374 HydrophobicContact CG1-CG 4.36Å; R374-D380 IonicContact CZ-OD1 3.09Å; R374-D380 IonicContact CZ-OD2 2.62Å; R374-D380 IonicContact NH1-OD1 2.79Å; R374-D380 IonicContact NH1-OD2 3.39Å; R374-D380 PolarHBondContact NH1-OD2 2.86Å; R374-D380 IonicContact NH2-OD1 3.38Å; R374-D380 PolarHBondContact NH2-OD1 3.45Å; R374-D380 IonicContact NH2-OD2 3.84Å; R374-D380 PolarHBondContact NH2-OD2 2.88Å; R374-Q493 PolarHBondContact O-NE2 3.04Å
375	P	94.1	Very high	95.5	Very high	68 Å²	68	55.7 Å²	55.7	44%	0.442	29%	0.288	S	S	.	.			trans	-64.4	155.9	171.9	28.4	-35	0	0	0	111.4
376	P	96.3	Very high	95.5	Very high	3 Å²	3	56 Å²	56	2%	0.019	29%	0.29	C	S	.	.			trans	-61.6	143.2	169.5	-21.4	35.6	0	0	0	110.8	Q179 V370 L486 S489 Q493	Q179-P376 PolarHBondContact NE2-O 3.21Å; V370-P376 HydrophobicContact CG1-CB 4.48Å; V370-P376 HydrophobicContact CG1-CG 4.39Å; P376-L486 WeakPolarHBondContact O-CD2 3.49Å; P376-S489 WeakPolarHBondContact CB-OG 3.29Å; P376-Q493 HydrophobicContact CG-CB 4.35Å
377	S	95.8	Very high	95.5	Very high	18 Å²	18	56 Å²	56	13%	0.126	29%	0.29	C	S	.	.			trans	-119	157.7	179.3	-176.9	0	0	0	0	110.9	E175 T379 D380 F485	E175-S377 WeakPolarHBondContact OE1-CA 3.41Å; E175-S377 WeakPolarHBondContact OE1-CB 3.33Å; E175-S377 PolarHBondContact OE1-OG 2.85Å; E175-S377 PolarHBondContact OE2-OG 2.74Å; S377-T379 PolarHBondContact O-N 3.1Å; S377-T379 VanDerWaalsContact O-N 3.14Å; S377-T379 PolarHBondContact OG-OG1 3.32Å; S377-D380 PolarHBondContact N-OD2 3Å; S377-D380 VanDerWaalsContact O-CB 3.3Å; S377-D380 WeakPolarHBondContact O-CB 3.44Å; S377-D380 PolarHBondContact O-N 2.95Å; S377-F485 WeakPolarHBondContact O-CE1 3.35Å
378	L	94.6	Very high	95.6	Very high	27 Å²	27	56.4 Å²	56.4	14%	0.141	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-61.8	-22.6	176.4	-70	169.8	0	0	0	113.1	L172 E175 D380 R381 M482 F485 L486	L172-L378 HydrophobicContact CD2-CB 3.78Å; L172-L378 HydrophobicContact CD2-CD1 4.23Å; E175-L378 HydrophobicContact CB-CD1 4.47Å; E175-L378 PolarHBondContact OE2-N 3.1Å; L378-D380 PolarHBondContact O-N 2.59Å; L378-R381 VanDerWaalsContact O-CB 3.29Å; L378-R381 WeakPolarHBondContact O-CB 3.49Å; L378-R381 PolarHBondContact O-N 3.29Å; L378-M482 HydrophobicContact CD1-CB 4.2Å; L378-M482 HydrophobicContact CD1-CE 3.31Å; L378-M482 HydrophobicContact CD1-CG 3.72Å; L378-M482 HydrophobicContact CD1-SD 4.1Å; L378-M482 HydrophobicContact CD2-CB 3.78Å; L378-M482 HydrophobicContact CD2-CG 3.66Å; L378-M482 HydrophobicContact CG-CG 4.37Å; L378-F485 HydrophobicContact CD2-CD1 4.09Å; L378-L486 HydrophobicContact CD1-CD1 4.21Å; L378-L486 HydrophobicContact CD2-CD1 3.91Å; L378-L486 HydrophobicContact CD2-CD2 4.19Å; L378-L486 HydrophobicContact CD2-CG 3.78Å; L378-L486 HydrophobicContact CG-CD1 3.85Å; L378-L486 HydrophobicContact CG-CD2 4.11Å; L378-L486 HydrophobicContact CG-CG 4.05Å
379	T	95.9	Very high	95.6	Very high	95 Å²	95	47.5 Å²	47.5	58%	0.583	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-68	-24.3	173.8	56.7	0	0	0	0	112.5	L172 S377 R381	L172-T379 HydrophobicContact CD1-CG2 4.4Å; L172-T379 HydrophobicContact CD2-CG2 4.17Å; S377-T379 PolarHBondContact O-N 3.1Å; S377-T379 VanDerWaalsContact O-N 3.14Å; S377-T379 PolarHBondContact OG-OG1 3.32Å; T379-R381 VanDerWaalsContact C-N 3.31Å
380	D	96.6	Very high	95.7	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-77.1	-19.2	177.8	-58.3	-47.3	0	0	0	112.6	V370 R374 S377 L378 G382 S383 L384	V370-D380 HydrophobicContact CG2-CB 3.97Å; R374-D380 IonicContact CZ-OD1 3.09Å; R374-D380 IonicContact CZ-OD2 2.62Å; R374-D380 IonicContact NH1-OD1 2.79Å; R374-D380 IonicContact NH1-OD2 3.39Å; R374-D380 PolarHBondContact NH1-OD2 2.86Å; R374-D380 IonicContact NH2-OD1 3.38Å; R374-D380 PolarHBondContact NH2-OD1 3.45Å; R374-D380 IonicContact NH2-OD2 3.84Å; R374-D380 PolarHBondContact NH2-OD2 2.88Å; S377-D380 PolarHBondContact N-OD2 3Å; S377-D380 VanDerWaalsContact O-CB 3.3Å; S377-D380 WeakPolarHBondContact O-CB 3.44Å; S377-D380 PolarHBondContact O-N 2.95Å; L378-D380 PolarHBondContact O-N 2.59Å; D380-G382 VanDerWaalsContact C-N 3.29Å; D380-G382 PolarHBondContact O-N 3.22Å; D380-S383 CarbonylContact O-C 3.43Å; D380-S383 WeakPolarHBondContact O-CA 3.43Å; D380-S383 WeakPolarHBondContact O-CB 3.32Å; D380-S383 PolarHBondContact O-N 3.33Å; D380-L384 HydrophobicContact CB-CD1 4.28Å; D380-L384 PolarHBondContact O-N 3.24Å
381	R	94.9	Very high	95.8	Very high	59 Å²	59	45 Å²	45	22%	0.223	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-53.7	-42.8	-172.3	180	178	171.4	179.6	7.7	113.6	L378 T379 S383 L384 E388 F485	L378-R381 VanDerWaalsContact O-CB 3.29Å; L378-R381 WeakPolarHBondContact O-CB 3.49Å; L378-R381 PolarHBondContact O-N 3.29Å; T379-R381 VanDerWaalsContact C-N 3.31Å; R381-S383 PolarHBondContact O-N 3.02Å; R381-L384 PolarHBondContact O-N 3.39Å; R381-E388 WeakPolarHBondContact CG-OE2 3.17Å; R381-E388 IonicContact CZ-OE1 2.76Å; R381-E388 VanDerWaalsContact CZ-OE1 3.3Å; R381-E388 IonicContact CZ-OE2 3.2Å; R381-E388 VanDerWaalsContact NE-CD 3.28Å; R381-E388 IonicContact NE-OE1 2.85Å; R381-E388 PolarHBondContact NE-OE1 3.38Å; R381-E388 VanDerWaalsContact NE-OE1 3.12Å; R381-E388 IonicContact NE-OE2 3.59Å; R381-E388 PolarHBondContact NE-OE2 2.95Å; R381-E388 IonicContact NH2-OE1 3.62Å; R381-E388 PolarHBondContact NH2-OE1 3.4Å; R381-E388 IonicContact NH2-OE2 3.61Å; R381-F485 HydrophobicContact CB-CD1 4.19Å; R381-F485 HydrophobicContact CB-CD2 4.18Å; R381-F485 HydrophobicContact CB-CE1 3.86Å; R381-F485 HydrophobicContact CB-CE2 3.83Å; R381-F485 HydrophobicContact CB-CG 4.34Å; R381-F485 HydrophobicContact CB-CZ 3.65Å; R381-F485 HydrophobicContact CG-CD2 3.88Å; R381-F485 HydrophobicContact CG-CE2 3.91Å; R381-F485 HydrophobicContact CG-CG 4.18Å; R381-F485 HydrophobicContact CG-CZ 4.25Å
382	G	94.1	Very high	96	Very high	74 Å²	74	44.7 Å²	44.7	76%	0.763	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-65.8	-17.8	178.2	0	0	0	0	0	114.2	D380	D380-G382 VanDerWaalsContact C-N 3.29Å; D380-G382 PolarHBondContact O-N 3.22Å
383	S	97.2	Very high	96.4	Very high	70 Å²	70	42.2 Å²	42.2	49%	0.49	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-104.1	2.5	-179.4	-56.2	0	0	0	0	113.1	D380 R381 P385	D380-S383 CarbonylContact O-C 3.43Å; D380-S383 WeakPolarHBondContact O-CA 3.43Å; D380-S383 WeakPolarHBondContact O-CB 3.32Å; D380-S383 PolarHBondContact O-N 3.33Å; R381-S383 PolarHBondContact O-N 3.02Å; S383-P385 VanDerWaalsContact O-CD 3.29Å; S383-P385 WeakPolarHBondContact O-CD 3.37Å
384	L	98	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.			trans	-117.6	57	176	-62.9	179.6	0	0	0	111.5	E365 I366 V369 V370 D380 R381 F386 T387 E388 F485	E365-L384 HydrophobicContact CG-CD2 3.78Å; E365-L384 VanDerWaalsContact OE2-C 3.28Å; E365-L384 WeakPolarHBondContact OE2-CA 3.46Å; I366-L384 HydrophobicContact CG1-CD1 4.29Å; I366-L384 HydrophobicContact CG1-CD2 4.43Å; V369-L384 HydrophobicContact CB-CD2 3.66Å; V369-L384 HydrophobicContact CG1-CD2 3.89Å; V369-L384 HydrophobicContact CG1-CG 4.39Å; V369-L384 HydrophobicContact CG2-CD2 3.97Å; V370-L384 HydrophobicContact CG2-CD1 4.08Å; V370-L384 HydrophobicContact CG2-CD2 4.47Å; D380-L384 HydrophobicContact CB-CD1 4.28Å; D380-L384 PolarHBondContact O-N 3.24Å; R381-L384 PolarHBondContact O-N 3.39Å; L384-F386 VanDerWaalsContact C-N 3.34Å; L384-F386 PolarHBondContact O-N 2.61Å; L384-T387 PolarHBondContact O-N 2.96Å; L384-E388 PolarHBondContact O-N 2.84Å; L384-F485 HydrophobicContact CB-CE2 4.19Å; L384-F485 HydrophobicContact CD1-CE2 3.87Å; L384-F485 HydrophobicContact CD1-CZ 3.66Å
385	P	98.1	Very high	97.2	Very high	28 Å²	28	25.8 Å²	25.8	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-36.4	-174.2	26.7	-36.4	0	0	0	113.3	E365 S383 E388 A389 L452 G456 L458	E365-P385 WeakPolarHBondContact OE1-CD 3.5Å; S383-P385 VanDerWaalsContact O-CD 3.29Å; S383-P385 WeakPolarHBondContact O-CD 3.37Å; P385-E388 PolarHBondContact O-N 3.18Å; P385-A389 WeakPolarHBondContact O-CB 3.42Å; P385-A389 PolarHBondContact O-N 3.36Å; P385-L452 HydrophobicContact CB-CD2 3.95Å; P385-G456 WeakPolarHBondContact CB-O 3.25Å; P385-G456 VanDerWaalsContact CG-O 3.24Å; P385-G456 WeakPolarHBondContact CG-O 3.39Å; P385-L458 HydrophobicContact CB-CB 4.4Å
386	F	98.5	Very high	97.4	Very high	18 Å²	18	22.6 Å²	22.6	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-70.3	-41.7	179.4	-172.5	-94.6	0	0	0	111.5	I358 E361 V362 E365 L384 E388 A389 A390 P448 L452	I358-F386 HydrophobicContact CD1-CZ 4.16Å; I358-F386 HydrophobicContact CG2-CE1 4.11Å; I358-F386 HydrophobicContact CG2-CZ 4.15Å; E361-F386 HydrophobicContact CB-CD1 4.23Å; E361-F386 HydrophobicContact CB-CE1 3.57Å; E361-F386 HydrophobicContact CB-CZ 3.96Å; E361-F386 HydrophobicContact CG-CD1 3.78Å; E361-F386 HydrophobicContact CG-CD2 4.41Å; E361-F386 HydrophobicContact CG-CE1 3.47Å; E361-F386 VanDerWaalsContact CG-CE1 3.47Å; E361-F386 HydrophobicContact CG-CE2 4.16Å; E361-F386 HydrophobicContact CG-CG 4.25Å; E361-F386 HydrophobicContact CG-CZ 3.68Å; E361-F386 WeakPolarHBondContact OE1-CE2 3.46Å; E361-F386 WeakPolarHBondContact OE2-CE2 3.38Å; E361-F386 WeakPolarHBondContact OE2-CZ 3.23Å; V362-F386 HydrophobicContact CG2-CD1 3.71Å; V362-F386 HydrophobicContact CG2-CE1 3.71Å; E365-F386 VanDerWaalsContact OE1-CB 3.29Å; E365-F386 WeakPolarHBondContact OE1-CB 3.44Å; E365-F386 PolarHBondContact OE1-N 2.95Å; E365-F386 PolarHBondContact OE2-N 2.77Å; L384-F386 VanDerWaalsContact C-N 3.34Å; L384-F386 PolarHBondContact O-N 2.61Å; F386-E388 VanDerWaalsContact C-N 3.34Å; F386-E388 PolarHBondContact O-N 2.91Å; F386-A389 WeakPolarHBondContact O-CB 3.43Å; F386-A389 PolarHBondContact O-N 3.31Å; F386-A390 WeakPolarHBondContact O-CB 3.36Å; F386-A390 PolarHBondContact O-N 3.4Å; F386-P448 HydrophobicContact CE2-CB 4.08Å; F386-P448 HydrophobicContact CZ-CB 4.19Å; F386-P448 HydrophobicContact CZ-CG 4.29Å; F386-L452 HydrophobicContact CD2-CD1 3.72Å
387	T	98.5	Very high	97.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-57.8	-46.9	173	-55.7	0	0	0	0	111	V362 E365 L384 A390 I391	V362-T387 HydrophobicContact CG1-CG2 3.9Å; E365-T387 WeakPolarHBondContact OE2-CB 3.23Å; E365-T387 PolarHBondContact OE2-N 3.47Å; E365-T387 PolarHBondContact OE2-OG1 2.97Å; L384-T387 PolarHBondContact O-N 2.96Å; T387-A390 PolarHBondContact O-N 3.1Å; T387-I391 HydrophobicContact CG2-CD1 4.39Å; T387-I391 WeakPolarHBondContact O-CG1 3.31Å; T387-I391 PolarHBondContact O-N 3.02Å
388	E	98.3	Very high	97.3	Very high	24 Å²	24	21.9 Å²	21.9	11%	0.112	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-40.2	178	-176.6	156	-179.3	0	0	112	R381 L384 P385 F386 A390 I391 M392 L458	R381-E388 WeakPolarHBondContact CG-OE2 3.17Å; R381-E388 IonicContact CZ-OE1 2.76Å; R381-E388 VanDerWaalsContact CZ-OE1 3.3Å; R381-E388 IonicContact CZ-OE2 3.2Å; R381-E388 VanDerWaalsContact NE-CD 3.28Å; R381-E388 IonicContact NE-OE1 2.85Å; R381-E388 PolarHBondContact NE-OE1 3.38Å; R381-E388 VanDerWaalsContact NE-OE1 3.12Å; R381-E388 IonicContact NE-OE2 3.59Å; R381-E388 PolarHBondContact NE-OE2 2.95Å; R381-E388 IonicContact NH2-OE1 3.62Å; R381-E388 PolarHBondContact NH2-OE1 3.4Å; R381-E388 IonicContact NH2-OE2 3.61Å; L384-E388 PolarHBondContact O-N 2.84Å; P385-E388 PolarHBondContact O-N 3.18Å; F386-E388 VanDerWaalsContact C-N 3.34Å; F386-E388 PolarHBondContact O-N 2.91Å; E388-A390 VanDerWaalsContact C-N 3.34Å; E388-A390 PolarHBondContact O-N 2.99Å; E388-I391 PolarHBondContact O-N 3.05Å; E388-M392 HydrophobicContact CG-CG 4.35Å; E388-M392 HydrophobicContact CG-SD 3.9Å; E388-M392 WeakPolarHBondContact O-CB 3.16Å; E388-M392 VanDerWaalsContact O-CG 3.28Å; E388-M392 WeakPolarHBondContact O-CG 3.22Å; E388-M392 PolarHBondContact O-N 3.42Å; E388-L458 HydrophobicContact CB-CD1 4.18Å; E388-L458 HydrophobicContact CB-CD2 4.36Å; E388-L458 VanDerWaalsContact CD-CD2 3.44Å; E388-L458 HydrophobicContact CG-CD1 4.06Å; E388-L458 HydrophobicContact CG-CD2 3.69Å
389	A	98.5	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-40.6	175.3	0	0	0	0	0	112.5	P385 F386 M392 E393 P448 F451 L452 L458	P385-A389 WeakPolarHBondContact O-CB 3.42Å; P385-A389 PolarHBondContact O-N 3.36Å; F386-A389 WeakPolarHBondContact O-CB 3.43Å; F386-A389 PolarHBondContact O-N 3.31Å; A389-M392 PolarHBondContact O-N 2.92Å; A389-E393 WeakPolarHBondContact O-CB 3.26Å; A389-E393 PolarHBondContact O-N 3.23Å; A389-P448 HydrophobicContact CB-CB 4.24Å; A389-P448 WeakPolarHBondContact CB-O 3.38Å; A389-F451 HydrophobicContact CB-CB 3.83Å; A389-L452 HydrophobicContact CB-CD1 4.4Å; A389-L452 HydrophobicContact CB-CD2 3.89Å; A389-L452 HydrophobicContact CB-CG 3.96Å; A389-L458 HydrophobicContact CB-CD1 4.1Å
390	A	98.6	Very high	97.3	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.017	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-44	176.6	0	0	0	0	0	111.8	V362 F386 T387 E388 E393 V394 P448	V362-A390 HydrophobicContact CG2-CB 3.93Å; F386-A390 WeakPolarHBondContact O-CB 3.36Å; F386-A390 PolarHBondContact O-N 3.4Å; T387-A390 PolarHBondContact O-N 3.1Å; E388-A390 VanDerWaalsContact C-N 3.34Å; E388-A390 PolarHBondContact O-N 2.99Å; A390-E393 PolarHBondContact O-N 3.42Å; A390-V394 WeakPolarHBondContact O-CG2 3.29Å; A390-V394 PolarHBondContact O-N 3.28Å; A390-V394 VanDerWaalsContact O-N 3.13Å; A390-P448 HydrophobicContact CB-CB 4.2Å; A390-P448 HydrophobicContact CB-CG 3.98Å
391	I	98.7	Very high	97.3	Very high	11 Å²	11	17.8 Å²	17.8	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-46.3	174.7	-65.4	167.5	0	0	0	110.3	V348 T387 E388 E393 V394 Q395 L484 V488	V348-I391 HydrophobicContact CG1-CG1 4.47Å; V348-I391 HydrophobicContact CG2-CG2 4.5Å; T387-I391 HydrophobicContact CG2-CD1 4.39Å; T387-I391 WeakPolarHBondContact O-CG1 3.31Å; T387-I391 PolarHBondContact O-N 3.02Å; E388-I391 PolarHBondContact O-N 3.05Å; I391-E393 PolarHBondContact O-N 2.77Å; I391-V394 PolarHBondContact O-N 3.38Å; I391-Q395 WeakPolarHBondContact O-CG 3.38Å; I391-Q395 PolarHBondContact O-N 2.89Å; I391-L484 HydrophobicContact CG2-CB 4.19Å; I391-V488 HydrophobicContact CD1-CB 3.98Å; I391-V488 HydrophobicContact CD1-CG1 4.08Å; I391-V488 HydrophobicContact CD1-CG2 4.36Å; I391-V488 HydrophobicContact CG1-CB 4.33Å; I391-V488 HydrophobicContact CG1-CG1 4.08Å; I391-V488 HydrophobicContact CG1-CG2 4.39Å
392	M	98.6	Very high	97.3	Very high	15 Å²	15	15 Å²	15	7%	0.074	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-39.6	-180	-74.1	174.6	63.9	0	0	112.6	E388 A389 Q395 R396 F451 L458 F464	E388-M392 HydrophobicContact CG-CG 4.35Å; E388-M392 HydrophobicContact CG-SD 3.9Å; E388-M392 WeakPolarHBondContact O-CB 3.16Å; E388-M392 VanDerWaalsContact O-CG 3.28Å; E388-M392 WeakPolarHBondContact O-CG 3.22Å; E388-M392 PolarHBondContact O-N 3.42Å; A389-M392 PolarHBondContact O-N 2.92Å; M392-Q395 WeakPolarHBondContact O-CB 3.48Å; M392-Q395 PolarHBondContact O-N 3.44Å; M392-R396 PolarHBondContact O-N 3.27Å; M392-F451 HydrophobicContact CB-CD1 4.4Å; M392-F451 HydrophobicContact CB-CD2 3.98Å; M392-F451 HydrophobicContact CB-CE1 4.42Å; M392-F451 HydrophobicContact CB-CE2 4.02Å; M392-F451 HydrophobicContact CB-CG 4.17Å; M392-F451 HydrophobicContact CB-CZ 4.23Å; M392-F451 HydrophobicContact CE-CD1 3.42Å; M392-F451 VanDerWaalsContact CE-CD1 3.42Å; M392-F451 HydrophobicContact CE-CE1 3.66Å; M392-F451 HydrophobicContact CE-CG 4.1Å; M392-L458 HydrophobicContact SD-CD1 3.87Å; M392-L458 HydrophobicContact SD-CD2 4.02Å; M392-L458 HydrophobicContact SD-CG 4.28Å; M392-F464 HydrophobicContact CB-CE1 4.11Å; M392-F464 HydrophobicContact CB-CE2 4.45Å; M392-F464 HydrophobicContact CB-CZ 3.79Å; M392-F464 HydrophobicContact CE-CD1 3.6Å; M392-F464 HydrophobicContact CE-CE1 3.56Å; M392-F464 HydrophobicContact CE-CG 4.37Å; M392-F464 HydrophobicContact CE-CZ 4.31Å; M392-F464 HydrophobicContact CG-CE1 3.85Å; M392-F464 HydrophobicContact CG-CZ 3.96Å; M392-F464 VanDerWaalsContact O-CE2 3.25Å; M392-F464 WeakPolarHBondContact O-CE2 3.42Å; M392-F464 WeakPolarHBondContact O-CZ 3.44Å; M392-F464 HydrophobicContact SD-CE1 4.43Å
393	E	98.6	Very high	97.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.3	-38.5	177.7	-178.6	68.4	169.9	0	0	112.1	A389 A390 I391 R396 L397 A445 F446 N447 R450 F451	A389-E393 WeakPolarHBondContact O-CB 3.26Å; A389-E393 PolarHBondContact O-N 3.23Å; A390-E393 PolarHBondContact O-N 3.42Å; I391-E393 PolarHBondContact O-N 2.77Å; E393-R396 PolarHBondContact O-N 3.2Å; E393-R396 IonicContact OE1-CZ 3.07Å; E393-R396 IonicContact OE1-NE 2.97Å; E393-R396 IonicContact OE1-NH2 2.86Å; E393-R396 PolarHBondContact OE1-NH2 3.07Å; E393-R396 IonicContact OE2-CZ 3.56Å; E393-R396 IonicContact OE2-NE 3.37Å; E393-R396 PolarHBondContact OE2-NE 2.93Å; E393-R396 IonicContact OE2-NH2 2.94Å; E393-L397 HydrophobicContact CG-CD1 4.38Å; E393-L397 WeakPolarHBondContact O-CG 3.05Å; E393-L397 PolarHBondContact O-N 2.73Å; E393-A445 VanDerWaalsContact OE1-O 3.09Å; E393-F446 HydrophobicContact CB-CD2 4.25Å; E393-F446 HydrophobicContact CB-CE2 4Å; E393-F446 HydrophobicContact CG-CD2 3.53Å; E393-F446 HydrophobicContact CG-CE2 3.79Å; E393-N447 PolarHBondContact OE1-N 3.4Å; E393-R450 IonicContact OE1-NE 3.02Å; E393-R450 PolarHBondContact OE1-NE 3.24Å; E393-F451 HydrophobicContact CB-CD2 4.11Å; E393-F451 HydrophobicContact CB-CE2 3.95Å; E393-F451 VanDerWaalsContact OE2-CE2 3.26Å; E393-F451 WeakPolarHBondContact OE2-CE2 3.2Å
394	V	98.5	Very high	97.3	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	6%	0.055	C	C	.	.	H	α-helix	trans	-63.9	-43.2	171	177.2	0	0	0	0	111	W347 V348 Y351 A390 I391 R396 L397 T398 F446	W347-V394 HydrophobicContact CB-CG1 3.74Å; V348-V394 HydrophobicContact CB-CG1 4.48Å; V348-V394 HydrophobicContact CG2-CB 3.87Å; V348-V394 HydrophobicContact CG2-CG1 3.79Å; V348-V394 HydrophobicContact CG2-CG2 4.27Å; Y351-V394 HydrophobicContact CD2-CG1 3.92Å; Y351-V394 HydrophobicContact CD2-CG2 4.2Å; Y351-V394 HydrophobicContact CE2-CG1 4.43Å; Y351-V394 HydrophobicContact CG-CG1 4.48Å; Y351-V394 HydrophobicContact CG-CG2 3.92Å; A390-V394 WeakPolarHBondContact O-CG2 3.29Å; A390-V394 PolarHBondContact O-N 3.28Å; A390-V394 VanDerWaalsContact O-N 3.13Å; I391-V394 PolarHBondContact O-N 3.38Å; V394-R396 VanDerWaalsContact C-N 3.28Å; V394-R396 PolarHBondContact O-N 3.39Å; V394-L397 PolarHBondContact O-N 2.87Å; V394-T398 HydrophobicContact CG1-CG2 4.05Å; V394-T398 WeakPolarHBondContact O-CB 3.28Å; V394-T398 WeakPolarHBondContact O-CG2 3.42Å; V394-T398 PolarHBondContact O-N 2.9Å; V394-T398 PolarHBondContact O-OG1 3.34Å; V394-F446 HydrophobicContact CG2-CD2 4.35Å; V394-F446 HydrophobicContact CG2-CE2 3.59Å; V394-F446 HydrophobicContact CG2-CZ 4.12Å
395	Q	98.3	Very high	97.1	Very high	15 Å²	15	11 Å²	11	7%	0.07	6%	0.061	C	C	.	.	H	α-helix	trans	-59.6	-37.9	175.6	-73.1	-172.8	-54.6	0	0	112.6	I391 M392 A399 F464 P466	I391-Q395 WeakPolarHBondContact O-CG 3.38Å; I391-Q395 PolarHBondContact O-N 2.89Å; M392-Q395 WeakPolarHBondContact O-CB 3.48Å; M392-Q395 PolarHBondContact O-N 3.44Å; Q395-A399 VanDerWaalsContact O-CA 3.27Å; Q395-A399 WeakPolarHBondContact O-CA 3.46Å; Q395-A399 PolarHBondContact O-N 3.32Å; Q395-F464 HydrophobicContact CB-CE2 4.22Å; Q395-F464 HydrophobicContact CB-CZ 3.92Å; Q395-P466 HydrophobicContact CB-CB 4.37Å
396	R	98	Very high	97	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.2	-50.1	175.5	-173.5	-165.7	66.9	77.9	-3.2	111	M392 E393 V394 T398 H434 W440 P443 F451 F464	M392-R396 PolarHBondContact O-N 3.27Å; E393-R396 PolarHBondContact O-N 3.2Å; E393-R396 IonicContact OE1-CZ 3.07Å; E393-R396 IonicContact OE1-NE 2.97Å; E393-R396 IonicContact OE1-NH2 2.86Å; E393-R396 PolarHBondContact OE1-NH2 3.07Å; E393-R396 IonicContact OE2-CZ 3.56Å; E393-R396 IonicContact OE2-NE 3.37Å; E393-R396 PolarHBondContact OE2-NE 2.93Å; E393-R396 IonicContact OE2-NH2 2.94Å; V394-R396 VanDerWaalsContact C-N 3.28Å; V394-R396 PolarHBondContact O-N 3.39Å; R396-T398 PolarHBondContact O-N 2.88Å; R396-H434 HydrophobicContact CG-CB 3.7Å; R396-H434 PolarHBondContact NH1-O 3.47Å; R396-H434 WeakPolarHBondContact O-CB 3.26Å; R396-W440 HydrophobicContact CG-CH2 4.25Å; R396-W440 HydrophobicContact CG-CZ2 4.24Å; R396-W440 HydrophobicContact CG-CZ3 4.44Å; R396-P443 VanDerWaalsContact CZ-O 3.23Å; R396-P443 PolarHBondContact NH1-O 3.22Å; R396-P443 PolarHBondContact NH2-O 3.39Å; R396-F451 HydrophobicContact CB-CZ 4.36Å; R396-F464 HydrophobicContact CB-CD2 4.18Å; R396-F464 HydrophobicContact CB-CE2 3.88Å
397	L	96.9	Very high	97	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-67	-36.4	-178.3	-76.4	173.5	0	0	0	112.3	Y351 E393 V394 R435 P443 F446	Y351-L397 HydrophobicContact CD1-CD1 4.45Å; Y351-L397 HydrophobicContact CE1-CD1 3.68Å; E393-L397 HydrophobicContact CG-CD1 4.38Å; E393-L397 WeakPolarHBondContact O-CG 3.05Å; E393-L397 PolarHBondContact O-N 2.73Å; V394-L397 PolarHBondContact O-N 2.87Å; L397-R435 PolarHBondContact O-NH1 2.62Å; L397-R435 PolarHBondContact O-NH2 3.09Å; L397-P443 WeakPolarHBondContact CD2-O 3.25Å; L397-F446 HydrophobicContact CD1-CB 3.85Å; L397-F446 HydrophobicContact CD1-CD2 3.84Å; L397-F446 HydrophobicContact CD1-CG 4.32Å
398	T	94.6	Very high	96.9	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.018	6%	0.062	C	C	.	.	H	α-helix	trans	-96.9	-26.4	-172.4	60.5	0	0	0	0	112.5	W347 Y351 V394 R396 V400 L516	W347-T398 HydrophobicContact CB-CG2 3.89Å; W347-T398 HydrophobicContact CD2-CG2 3.5Å; W347-T398 HydrophobicContact CE3-CG2 3.78Å; W347-T398 HydrophobicContact CG-CG2 3.56Å; W347-T398 HydrophobicContact CZ3-CG2 4.48Å; Y351-T398 HydrophobicContact CD2-CG2 4.38Å; Y351-T398 HydrophobicContact CE2-CG2 3.58Å; V394-T398 HydrophobicContact CG1-CG2 4.05Å; V394-T398 WeakPolarHBondContact O-CB 3.28Å; V394-T398 WeakPolarHBondContact O-CG2 3.42Å; V394-T398 PolarHBondContact O-N 2.9Å; V394-T398 PolarHBondContact O-OG1 3.34Å; R396-T398 PolarHBondContact O-N 2.88Å; T398-V400 PolarHBondContact O-N 3.24Å; T398-L516 WeakPolarHBondContact O-CD2 3.37Å
399	A	94.4	Very high	96.9	Very high	3 Å²	3	10 Å²	10	3%	0.025	6%	0.057	C	C	.	.			trans	37.2	72.4	179.1	0	0	0	0	0	111.4	Q395 V401 P402	Q395-A399 VanDerWaalsContact O-CA 3.27Å; Q395-A399 WeakPolarHBondContact O-CA 3.46Å; Q395-A399 PolarHBondContact O-N 3.32Å; A399-V401 CarbonylContact O-C 3.49Å; A399-V401 VanDerWaalsContact O-C 3.3Å; A399-V401 PolarHBondContact O-N 3.41Å; A399-P402 HydrophobicContact CB-CB 4.43Å; A399-P402 VanDerWaalsContact O-CA 3.26Å; A399-P402 WeakPolarHBondContact O-CA 3.04Å; A399-P402 WeakPolarHBondContact O-CB 3.36Å; A399-P402 WeakPolarHBondContact O-CD 3.41Å
400	V	96.3	Very high	96.8	Very high	20 Å²	20	11.6 Å²	11.6	12%	0.121	7%	0.068	C	C	.	.	S	Bend	trans	-49.2	-26.6	-165.2	71.3	0	0	0	0	115.3	N343 T398 P402 T515 L516	N343-V400 HydrophobicContact CB-CG2 3.77Å; T398-V400 PolarHBondContact O-N 3.24Å; V400-P402 WeakPolarHBondContact O-CD 3.49Å; V400-T515 CarbonylContact O-C 3.48Å; V400-T515 WeakPolarHBondContact O-CA 3.48Å; V400-T515 WeakPolarHBondContact O-CB 3.16Å; V400-L516 PolarHBondContact O-N 3.47Å
401	V	96.4	Very high	96.7	Very high	27 Å²	27	16.6 Å²	16.6	16%	0.164	9%	0.091	C	C	.	.	S	Bend	trans	-116.1	79.8	166.3	-168	0	0	0	0	109.5	T340 A399 L403 S404 I405 T515	T340-V401 HydrophobicContact CG2-CG2 4.23Å; A399-V401 CarbonylContact O-C 3.49Å; A399-V401 VanDerWaalsContact O-C 3.3Å; A399-V401 PolarHBondContact O-N 3.41Å; V401-L403 VanDerWaalsContact C-N 3.34Å; V401-L403 PolarHBondContact O-N 3.21Å; V401-S404 PolarHBondContact O-N 2.97Å; V401-S404 VanDerWaalsContact O-N 3.12Å; V401-I405 HydrophobicContact CG1-CD1 4.13Å; V401-T515 HydrophobicContact CG2-CG2 4.3Å
402	P	95.2	Very high	96.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.5	-160.4	26	-34.3	0	0	0	113.8	M83 A399 V400 L430 Y431 F512 L516	M83-P402 HydrophobicContact CG-CB 3.82Å; M83-P402 HydrophobicContact CG-CG 3.79Å; M83-P402 HydrophobicContact SD-CB 3.49Å; M83-P402 WeakPolarHBondContact SD-CB 3.38Å; M83-P402 HydrophobicContact SD-CG 3.26Å; M83-P402 WeakPolarHBondContact SD-CG 3.18Å; A399-P402 HydrophobicContact CB-CB 4.43Å; A399-P402 VanDerWaalsContact O-CA 3.26Å; A399-P402 WeakPolarHBondContact O-CA 3.04Å; A399-P402 WeakPolarHBondContact O-CB 3.36Å; A399-P402 WeakPolarHBondContact O-CD 3.41Å; V400-P402 WeakPolarHBondContact O-CD 3.49Å; P402-L430 WeakPolarHBondContact O-CA 3.42Å; P402-L430 PolarHBondContact O-N 3.3Å; P402-Y431 PolarHBondContact O-N 3.18Å; P402-F512 HydrophobicContact CG-CD2 3.71Å; P402-F512 HydrophobicContact CG-CE2 3.49Å; P402-F512 VanDerWaalsContact CG-CE2 3.49Å; P402-L516 HydrophobicContact CG-CB 4.28Å
403	L	95.1	Very high	96.5	Very high	15 Å²	15	21.1 Å²	21.1	8%	0.079	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	16.8	176.2	-58.7	-177.9	0	0	0	112.9	M83 L86 V401 M427 P428 N429 F512	M83-L403 HydrophobicContact CG-CD2 4.44Å; M83-L403 HydrophobicContact CG-CG 4.42Å; L86-L403 HydrophobicContact CD1-CD1 3.52Å; L86-L403 HydrophobicContact CD1-CD2 3.88Å; L86-L403 HydrophobicContact CD1-CG 4.38Å; V401-L403 VanDerWaalsContact C-N 3.34Å; V401-L403 PolarHBondContact O-N 3.21Å; L403-M427 HydrophobicContact CB-CG 4.2Å; L403-M427 HydrophobicContact CB-SD 4.38Å; L403-M427 HydrophobicContact CD1-SD 3.97Å; L403-P428 CarbonylContact C-O 3.43Å; L403-P428 WeakPolarHBondContact CA-O 3.4Å; L403-N429 HydrophobicContact CD2-CB 4.39Å; L403-F512 HydrophobicContact CD1-CE1 4.09Å; L403-F512 HydrophobicContact CD1-CZ 3.65Å; L403-F512 HydrophobicContact CG-CZ 4.08Å
404	S	95.2	Very high	96.5	Very high	18 Å²	18	25.8 Å²	25.8	13%	0.126	15%	0.148	C	C	.	.			trans	51.8	-173.8	-170.2	-167.4	0	0	0	0	112.3	V401 P428	V401-S404 PolarHBondContact O-N 2.97Å; V401-S404 VanDerWaalsContact O-N 3.12Å; S404-P428 PolarHBondContact N-O 3.45Å
405	I	95	Very high	96.4	Very high	27 Å²	27	26 Å²	26	14%	0.138	15%	0.149	C	C	.	.	S	Bend	trans	-89	129.1	166	-57.9	-56.5	0	0	0	108	R129 V145 F146 V401 H407 L514	R129-I405 PolarHBondContact NH1-O 3.43Å; V145-I405 HydrophobicContact CG1-CG1 4.31Å; V145-I405 HydrophobicContact CG1-CG2 4.19Å; F146-I405 HydrophobicContact CD1-CG2 4.11Å; F146-I405 HydrophobicContact CE1-CG2 3.64Å; F146-I405 HydrophobicContact CZ-CG2 4.25Å; V401-I405 HydrophobicContact CG1-CD1 4.13Å; I405-H407 PolarHBondContact O-CD2 3.42Å; I405-H407 PolarHBondContact O-N 3.34Å; I405-H407 PolarHBondContact O-NE2 3.35Å; I405-L514 HydrophobicContact CD1-CD1 3.86Å; I405-L514 HydrophobicContact CD1-CD2 3.96Å; I405-L514 HydrophobicContact CD1-CG 4.07Å
406	P	94.8	Very high	96.3	Very high	24 Å²	24	31.1 Å²	31.1	16%	0.156	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-51.1	135	-177.5	-29.7	35.5	0	0	0	113.7	R129 P130 V425	R129-P406 WeakPolarHBondContact CD-O 3.36Å; R129-P406 PolarHBondContact NH1-O 3.06Å; P130-P406 WeakPolarHBondContact CD-O 3.23Å; P130-P406 HydrophobicContact CG-CB 3.95Å; P406-V425 HydrophobicContact CB-CG1 3.92Å
407	H	97.8	Very high	96.2	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.023	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	169.2	174	-73.8	-108	0	0	0	109.8	F126 D128 R129 I405 V425 I426	F126-H407 WeakPolarHBondContact O-CB 3.39Å; F126-H407 PolarHBondContact O-ND1 3.39Å; D128-H407 CarbonylContact O-C 2.96Å; D128-H407 WeakPolarHBondContact O-CA 3.43Å; R129-H407 PolarHBondContact NH1-CD2 3.16Å; R129-H407 VanDerWaalsContact NH1-CD2 3.28Å; R129-H407 PolarHBondContact NH1-CE1 2.89Å; R129-H407 PolarHBondContact NH1-ND1 3.03Å; R129-H407 PolarHBondContact NH1-NE2 3.05Å; I405-H407 PolarHBondContact O-CD2 3.42Å; I405-H407 PolarHBondContact O-N 3.34Å; I405-H407 PolarHBondContact O-NE2 3.35Å; H407-V425 CarbonylContact O-C 3.56Å; H407-V425 WeakPolarHBondContact O-CA 3.3Å; H407-I426 HydrophobicContact CB-CB 3.95Å; H407-I426 PolarHBondContact N-O 2.93Å; H407-I426 PolarHBondContact O-N 3.49Å
408	M	97.3	Very high	96.2	Very high	22 Å²	22	35.9 Å²	35.9	11%	0.108	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.5	174	-174.7	-173.5	67.4	0	0	110.1	D128 P130 S410 T424	D128-M408 HydrophobicContact CB-CB 4.27Å; D128-M408 HydrophobicContact CB-CE 3.79Å; D128-M408 VanDerWaalsContact CG-CE 3.42Å; D128-M408 PolarHBondContact O-N 2.98Å; D128-M408 WeakPolarHBondContact OD2-CE 3.43Å; P130-M408 HydrophobicContact CB-CB 4.06Å; P130-M408 HydrophobicContact CB-CG 4.39Å; P130-M408 HydrophobicContact CB-SD 4.49Å; M408-S410 PolarHBondContact O-N 3.43Å; M408-T424 VanDerWaalsContact CA-O 3.3Å; M408-T424 WeakPolarHBondContact CA-O 3.38Å
409	A	97.9	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.			trans	-69.3	113.2	167.2	0	0	0	0	0	109.7	V125 F126 E411 I420 G423 T424	V125-A409 HydrophobicContact CG1-CB 4.46Å; V125-A409 WeakPolarHBondContact O-CA 3.47Å; F126-A409 HydrophobicContact CD1-CB 4.25Å; F126-A409 HydrophobicContact CE1-CB 4.08Å; A409-E411 PolarHBondContact O-N 3.44Å; A409-I420 HydrophobicContact CB-CG2 3.91Å; A409-G423 PolarHBondContact O-N 3.31Å; A409-T424 PolarHBondContact N-O 2.97Å
410	S	97.4	Very high	96.4	Very high	33 Å²	33	37.4 Å²	37.4	23%	0.231	21%	0.212	C	C	.	.	S	Bend	trans	-70.1	-22.9	-179	60.8	0	0	0	0	112.9	D124 V125 M408 K422	D124-S410 PolarHBondContact O-OG 3.47Å; V125-S410 WeakPolarHBondContact CA-OG 3.37Å; V125-S410 PolarHBondContact O-N 2.98Å; V125-S410 PolarHBondContact O-OG 3.36Å; M408-S410 PolarHBondContact O-N 3.43Å; S410-K422 VanDerWaalsContact O-CD 3.27Å; S410-K422 WeakPolarHBondContact O-CD 3.29Å; S410-K422 WeakPolarHBondContact O-CE 3.48Å; S410-K422 WeakPolarHBondContact O-CG 3.39Å
411	E	96.8	Very high	96.4	Very high	107 Å²	107	37.1 Å²	37.1	50%	0.5	21%	0.211	S	C	.	.	S	Bend	trans	-142.9	165.5	176.8	63.4	-178.6	-169.1	0	0	111.6	V125 A409	V125-E411 HydrophobicContact CG1-CG 4.16Å; V125-E411 HydrophobicContact CG2-CG 4.21Å; A409-E411 PolarHBondContact O-N 3.44Å
412	T	96.5	Very high	96.3	Very high	88 Å²	88	42.8 Å²	42.8	54%	0.54	23%	0.233	S	C	.	.			trans	-76.2	124.8	173.1	-63.6	0	0	0	0	108.7	T419 I420 K422	T412-T419 HydrophobicContact CG2-CG2 4.17Å; T412-I420 CarbonylContact C-O 3.53Å; T412-I420 VanDerWaalsContact CA-O 3.27Å; T412-I420 WeakPolarHBondContact CA-O 3.49Å; T412-K422 PolarHBondContact OG1-N 2.87Å
413	T	96.4	Very high	96.3	Very high	32 Å²	32	44 Å²	44	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	166.9	-178.4	-166.5	0	0	0	0	112.2	V125 F126 F415 I420	V125-T413 HydrophobicContact CG1-CG2 3.78Å; F126-T413 HydrophobicContact CE1-CG2 4.4Å; F126-T413 HydrophobicContact CZ-CG2 3.88Å; T413-F415 HydrophobicContact CG2-CB 4.49Å; T413-I420 HydrophobicContact CG2-CB 4.17Å; T413-I420 PolarHBondContact N-O 2.89Å; T413-I420 PolarHBondContact O-N 3.06Å
414	V	97	Very high	96.4	Very high	98 Å²	98	43.4 Å²	43.4	59%	0.594	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.6	166.1	178.4	0	0	0	0	108	F418	V414-F418 CarbonylContact C-O 3.57Å; V414-F418 VanDerWaalsContact CA-O 3.3Å; V414-F418 WeakPolarHBondContact CA-O 3.44Å
415	F	97.6	Very high	96.5	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.3	179	-177.5	-109.1	0	0	0	109.6	I96 L109 V114 D117 A118 F126 T413 G417 F418 I420	I96-F415 HydrophobicContact CD1-CD1 4.04Å; I96-F415 HydrophobicContact CD1-CE1 3.8Å; L109-F415 HydrophobicContact CD2-CE1 4.14Å; V114-F415 HydrophobicContact CG1-CE1 4.03Å; V114-F415 HydrophobicContact CG1-CZ 4.34Å; D117-F415 HydrophobicContact CB-CE2 4.27Å; D117-F415 HydrophobicContact CB-CZ 4.28Å; A118-F415 HydrophobicContact CB-CE1 4.39Å; A118-F415 HydrophobicContact CB-CE2 4.16Å; A118-F415 HydrophobicContact CB-CZ 3.78Å; F126-F415 AromaticContact CE2-CD2 3.81Å; F126-F415 HydrophobicContact CE2-CD2 3.81Å; F126-F415 HydrophobicContact CE2-CE2 4.2Å; F126-F415 HydrophobicContact CE2-CG 4.16Å; F126-F415 HydrophobicContact CZ-CB 4.08Å; F126-F415 HydrophobicContact CZ-CD2 4.14Å; F126-F415 HydrophobicContact CZ-CG 4.02Å; T413-F415 HydrophobicContact CG2-CB 4.49Å; F415-G417 PolarHBondContact O-N 2.91Å; F415-F418 PolarHBondContact N-O 3.15Å; F415-F418 PolarHBondContact O-N 2.94Å; F415-I420 HydrophobicContact CB-CG1 3.77Å
416	R	96.3	Very high	96.6	Very high	122 Å²	122	41.5 Å²	41.5	46%	0.46	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	43.7	-180	-66.5	-175	166.3	-113.4	3.6	113.6	I96 D117 F418	I96-R416 HydrophobicContact CD1-CB 3.64Å; I96-R416 HydrophobicContact CD1-CG 4.17Å; D117-R416 IonicContact OD2-CZ 2.67Å; D117-R416 IonicContact OD2-NE 3.13Å; D117-R416 PolarHBondContact OD2-NE 3.08Å; D117-R416 IonicContact OD2-NH2 2.72Å; D117-R416 PolarHBondContact OD2-NH2 3.34Å; D117-R416 VanDerWaalsContact OD2-NH2 3.13Å; R416-F418 VanDerWaalsContact C-N 3.33Å; R416-F418 PolarHBondContact O-N 2.9Å
417	G	95.2	Very high	96.7	Very high	51 Å²	51	41.9 Å²	41.9	53%	0.526	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-5.4	177.7	0	0	0	0	0	115.3	N45 F415	N45-G417 PolarHBondContact ND2-O 2.9Å; F415-G417 PolarHBondContact O-N 2.91Å
418	F	97.2	Very high	96.7	Very high	52 Å²	52	41.7 Å²	41.7	23%	0.228	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.3	177.3	-61.4	-65.8	0	0	0	112.3	N45 P47 P48 I96 V414 F415 R416 I420	N45-F418 WeakPolarHBondContact O-CA 3.15Å; P47-F418 HydrophobicContact CB-CD1 4.44Å; P47-F418 HydrophobicContact CB-CD2 4.31Å; P47-F418 HydrophobicContact CB-CG 4.22Å; P47-F418 HydrophobicContact CG-CB 3.77Å; P47-F418 HydrophobicContact CG-CD1 4.41Å; P47-F418 HydrophobicContact CG-CD2 4.09Å; P47-F418 HydrophobicContact CG-CG 3.83Å; P48-F418 HydrophobicContact CG-CZ 4.5Å; I96-F418 HydrophobicContact CB-CD2 4.37Å; I96-F418 HydrophobicContact CB-CE2 4.28Å; I96-F418 HydrophobicContact CD1-CD2 4.45Å; I96-F418 HydrophobicContact CG2-CD2 4.21Å; V414-F418 CarbonylContact C-O 3.57Å; V414-F418 VanDerWaalsContact CA-O 3.3Å; V414-F418 WeakPolarHBondContact CA-O 3.44Å; F415-F418 PolarHBondContact N-O 3.15Å; F415-F418 PolarHBondContact O-N 2.94Å; R416-F418 VanDerWaalsContact C-N 3.33Å; R416-F418 PolarHBondContact O-N 2.9Å; F418-I420 HydrophobicContact CB-CD1 4.3Å
419	T	96.3	Very high	96.8	Very high	38 Å²	38	40.6 Å²	40.6	23%	0.233	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.4	169.4	-53.2	0	0	0	0	109	R44 N45 T412 P421	R44-T419 PolarHBondContact O-OG1 3.43Å; N45-T419 PolarHBondContact O-N 3.4Å; T412-T419 HydrophobicContact CG2-CG2 4.17Å; T419-P421 WeakPolarHBondContact O-CD 3.14Å
420	I	97.1	Very high	96.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	102.4	174	-49.7	-59.3	0	0	0	107.9	P47 V107 F126 A409 T412 T413 F415 F418 T424 I426	P47-I420 HydrophobicContact CG-CD1 3.74Å; V107-I420 HydrophobicContact CG1-CD1 4.37Å; V107-I420 HydrophobicContact CG2-CD1 4.17Å; F126-I420 HydrophobicContact CE1-CG2 4.26Å; A409-I420 HydrophobicContact CB-CG2 3.91Å; T412-I420 CarbonylContact C-O 3.53Å; T412-I420 VanDerWaalsContact CA-O 3.27Å; T412-I420 WeakPolarHBondContact CA-O 3.49Å; T413-I420 HydrophobicContact CG2-CB 4.17Å; T413-I420 PolarHBondContact N-O 2.89Å; T413-I420 PolarHBondContact O-N 3.06Å; F415-I420 HydrophobicContact CB-CG1 3.77Å; F418-I420 HydrophobicContact CB-CD1 4.3Å; I420-T424 HydrophobicContact CG2-CG2 4.05Å; I420-I426 HydrophobicContact CG2-CD1 3.91Å
421	P	95.4	Very high	96.7	Very high	14 Å²	14	40.3 Å²	40.3	9%	0.091	22%	0.219	C	C	.	.			trans	-62.4	148.8	178.7	-23.6	34.1	0	0	0	112.9	Y43 I46 L105 T419 G423 T424	Y43-P421 HydrophobicContact CD1-CG 4.23Å; Y43-P421 HydrophobicContact CE1-CG 4.43Å; I46-P421 HydrophobicContact CG2-CG 4.39Å; L105-P421 HydrophobicContact CD2-CG 4.32Å; T419-P421 WeakPolarHBondContact O-CD 3.14Å; P421-G423 PolarHBondContact O-N 3.33Å; P421-T424 WeakPolarHBondContact O-CB 3.25Å; P421-T424 PolarHBondContact O-N 3.43Å; P421-T424 VanDerWaalsContact O-N 3.15Å; P421-T424 PolarHBondContact O-OG1 3Å
422	K	95.7	Very high	96.7	Very high	145 Å²	145	35.7 Å²	35.7	63%	0.63	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	139	168	178.3	170.6	180	168.8	0	111	S410 T412 T424	S410-K422 VanDerWaalsContact O-CD 3.27Å; S410-K422 WeakPolarHBondContact O-CD 3.29Å; S410-K422 WeakPolarHBondContact O-CE 3.48Å; S410-K422 WeakPolarHBondContact O-CG 3.39Å; T412-K422 PolarHBondContact OG1-N 2.87Å; K422-T424 VanDerWaalsContact C-N 3.25Å; K422-T424 PolarHBondContact O-N 3.47Å
423	G	94.7	Very high	96.8	Very high	25 Å²	25	31.5 Å²	31.5	26%	0.258	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-0.8	179.9	0	0	0	0	0	114.1	Q104 A409 P421 V425	Q104-G423 PolarHBondContact NE2-O 2.96Å; A409-G423 PolarHBondContact O-N 3.31Å; P421-G423 PolarHBondContact O-N 3.33Å; G423-V425 PolarHBondContact O-N 3.01Å
424	T	96.1	Very high	96.9	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.164	C	C	.	.			trans	-65.4	131.6	173.7	-61.7	0	0	0	0	110.1	L105 V107 M408 A409 I420 P421 K422 I426	L105-T424 HydrophobicContact CB-CG2 4.38Å; L105-T424 HydrophobicContact CD2-CG2 3.97Å; L105-T424 HydrophobicContact CG-CG2 3.81Å; V107-T424 HydrophobicContact CB-CG2 4.2Å; V107-T424 HydrophobicContact CG2-CG2 3.65Å; M408-T424 VanDerWaalsContact CA-O 3.3Å; M408-T424 WeakPolarHBondContact CA-O 3.38Å; A409-T424 PolarHBondContact N-O 2.97Å; I420-T424 HydrophobicContact CG2-CG2 4.05Å; P421-T424 WeakPolarHBondContact O-CB 3.25Å; P421-T424 PolarHBondContact O-N 3.43Å; P421-T424 VanDerWaalsContact O-N 3.15Å; P421-T424 PolarHBondContact O-OG1 3Å; K422-T424 VanDerWaalsContact C-N 3.25Å; K422-T424 PolarHBondContact O-N 3.47Å; T424-I426 HydrophobicContact CG2-CD1 3.98Å
425	V	97.1	Very high	96.8	Very high	4 Å²	4	27 Å²	27	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.6	172.7	177.8	0	0	0	0	108.1	Q104 L105 I106 V107 P130 P406 H407 G423	Q104-V425 HydrophobicContact CG-CG2 3.7Å; L105-V425 PolarHBondContact O-N 3.44Å; I106-V425 CarbonylContact C-O 3.44Å; I106-V425 VanDerWaalsContact CA-O 3.31Å; I106-V425 WeakPolarHBondContact CA-O 3.34Å; I106-V425 HydrophobicContact CB-CB 4.35Å; I106-V425 HydrophobicContact CG1-CB 4.02Å; I106-V425 HydrophobicContact CG1-CG1 4.39Å; I106-V425 HydrophobicContact CG1-CG2 4.44Å; I106-V425 HydrophobicContact CG2-CB 4.31Å; I106-V425 HydrophobicContact CG2-CG1 4.16Å; V107-V425 PolarHBondContact N-O 3.32Å; P130-V425 HydrophobicContact CB-CG2 3.67Å; P130-V425 HydrophobicContact CG-CG1 4.35Å; P130-V425 HydrophobicContact CG-CG2 4.16Å; P406-V425 HydrophobicContact CB-CG1 3.92Å; H407-V425 CarbonylContact O-C 3.56Å; H407-V425 WeakPolarHBondContact O-CA 3.3Å; G423-V425 PolarHBondContact O-N 3.01Å
426	I	98	Very high	96.7	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.7	174.3	-52.2	-57	0	0	0	108.1	V107 L109 F126 H407 I420 T424 P428	V107-I426 HydrophobicContact CB-CD1 3.96Å; V107-I426 HydrophobicContact CG1-CD1 4.48Å; V107-I426 WeakPolarHBondContact O-CA 3.37Å; L109-I426 HydrophobicContact CD1-CG2 3.46Å; L109-I426 VanDerWaalsContact CD1-CG2 3.46Å; L109-I426 HydrophobicContact CG-CG2 3.86Å; F126-I426 HydrophobicContact CD1-CD1 4.25Å; F126-I426 HydrophobicContact CD1-CG1 3.68Å; F126-I426 HydrophobicContact CE1-CD1 4.04Å; F126-I426 HydrophobicContact CE1-CG1 4Å; H407-I426 HydrophobicContact CB-CB 3.95Å; H407-I426 PolarHBondContact N-O 2.93Å; H407-I426 PolarHBondContact O-N 3.49Å; I420-I426 HydrophobicContact CG2-CD1 3.91Å; T424-I426 HydrophobicContact CG2-CD1 3.98Å; I426-P428 WeakPolarHBondContact O-CD 3.49Å
427	M	97.4	Very high	96.6	Very high	32 Å²	32	27 Å²	27	16%	0.158	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	94.9	-177	-174.5	176.1	-74.3	0	0	109.7	L86 I106 V107 V108 L109 L403 N429	L86-M427 HydrophobicContact CD1-SD 4.37Å; I106-M427 HydrophobicContact CG2-CB 4.12Å; I106-M427 HydrophobicContact CG2-CE 4.24Å; V107-M427 PolarHBondContact O-N 3.45Å; V108-M427 WeakPolarHBondContact CA-O 3.29Å; V108-M427 HydrophobicContact CG2-CB 4.41Å; V108-M427 HydrophobicContact CG2-SD 4.43Å; L109-M427 PolarHBondContact N-O 2.95Å; L403-M427 HydrophobicContact CB-CG 4.2Å; L403-M427 HydrophobicContact CB-SD 4.38Å; L403-M427 HydrophobicContact CD1-SD 3.97Å; M427-N429 PolarHBondContact O-N 3.42Å
428	P	98	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	119.7	173.1	-17.5	31.1	0	0	0	111.1	V115 L119 L403 S404 I426 L430	V115-P428 HydrophobicContact CG1-CB 4.13Å; V115-P428 HydrophobicContact CG2-CB 4.27Å; L119-P428 HydrophobicContact CD1-CB 4.2Å; L119-P428 HydrophobicContact CD1-CG 3.89Å; L119-P428 HydrophobicContact CD2-CG 4.23Å; L119-P428 HydrophobicContact CG-CG 4.43Å; L403-P428 CarbonylContact C-O 3.43Å; L403-P428 WeakPolarHBondContact CA-O 3.4Å; S404-P428 PolarHBondContact N-O 3.45Å; I426-P428 WeakPolarHBondContact O-CD 3.49Å; P428-L430 PolarHBondContact O-N 2.73Å
429	N	97.8	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.			trans	-89.9	87.9	178.2	-174.3	-2.1	0	0	0	110.3	T87 V108 L109 N110 L403 M427 Y431 S432 V433	T87-N429 PolarHBondContact OG1-ND2 2.95Å; V108-N429 HydrophobicContact CG1-CB 4.19Å; L109-N429 VanDerWaalsContact O-CB 3.3Å; L109-N429 WeakPolarHBondContact O-CB 3.47Å; L109-N429 PolarHBondContact O-N 3.4Å; N110-N429 PolarHBondContact OD1-ND2 3.12Å; L403-N429 HydrophobicContact CD2-CB 4.39Å; M427-N429 PolarHBondContact O-N 3.42Å; N429-Y431 VanDerWaalsContact C-N 3.27Å; N429-Y431 PolarHBondContact O-N 3.23Å; N429-Y431 WeakPolarHBondContact OD1-CB 3.22Å; N429-Y431 PolarHBondContact OD1-N 3.43Å; N429-S432 WeakPolarHBondContact ND2-CB 3.33Å; N429-S432 WeakPolarHBondContact O-CB 3.27Å; N429-S432 PolarHBondContact O-N 2.74Å; N429-S432 PolarHBondContact OD1-N 2.94Å; N429-V433 WeakPolarHBondContact O-CG2 3.23Å; N429-V433 PolarHBondContact O-N 2.82Å; N429-V433 VanDerWaalsContact O-N 3.13Å
430	L	97.9	Very high	96.3	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-66.3	-30.7	178	-59.3	-173.8	0	0	0	112.1	V115 P402 P428 S432 V433 H434 I465	V115-L430 HydrophobicContact CG1-CD2 4.42Å; P402-L430 WeakPolarHBondContact O-CA 3.42Å; P402-L430 PolarHBondContact O-N 3.3Å; P428-L430 PolarHBondContact O-N 2.73Å; L430-S432 VanDerWaalsContact C-N 3.29Å; L430-S432 PolarHBondContact O-N 3.15Å; L430-V433 WeakPolarHBondContact O-CB 3.49Å; L430-V433 PolarHBondContact O-N 3.4Å; L430-V433 VanDerWaalsContact O-N 3.15Å; L430-H434 WeakPolarHBondContact O-CB 3.39Å; L430-H434 PolarHBondContact O-N 2.92Å; L430-I465 HydrophobicContact CD2-CD1 3.77Å; L430-I465 HydrophobicContact CD2-CG1 4.17Å
431	Y	96.4	Very high	96.2	Very high	22 Å²	22	33 Å²	33	9%	0.086	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-43.2	172.2	-179.6	-84.2	0	0	0	111.3	M83 E84 T87 P402 N429 R435	M83-Y431 HydrophobicContact CB-CD1 4.06Å; M83-Y431 HydrophobicContact CB-CD2 4.04Å; M83-Y431 HydrophobicContact CB-CE1 4.49Å; M83-Y431 HydrophobicContact CB-CE2 4.46Å; M83-Y431 HydrophobicContact CB-CG 3.82Å; M83-Y431 HydrophobicContact SD-CD2 4.29Å; E84-Y431 HydrophobicContact CG-CE1 4.1Å; E84-Y431 VanDerWaalsContact CG-OH 3.23Å; E84-Y431 WeakPolarHBondContact CG-OH 3.05Å; T87-Y431 WeakPolarHBondContact OG1-CD1 3.39Å; P402-Y431 PolarHBondContact O-N 3.18Å; N429-Y431 VanDerWaalsContact C-N 3.27Å; N429-Y431 PolarHBondContact O-N 3.23Å; N429-Y431 WeakPolarHBondContact OD1-CB 3.22Å; N429-Y431 PolarHBondContact OD1-N 3.43Å; Y431-R435 VanDerWaalsContact CE2-CZ 3.45Å; Y431-R435 VanDerWaalsContact CZ-CD 3.42Å; Y431-R435 WeakPolarHBondContact O-CB 3.48Å; Y431-R435 PolarHBondContact O-N 3Å; Y431-R435 PolarHBondContact OH-NE 2.97Å
432	S	97.3	Very high	96.2	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-43.2	172.9	169.2	0	0	0	0	112.5	N110 G111 N429 L430 H434 R435 D436	N110-S432 WeakPolarHBondContact CB-OG 3.28Å; G111-S432 PolarHBondContact N-OG 3.37Å; G111-S432 VanDerWaalsContact N-OG 3.14Å; N429-S432 WeakPolarHBondContact ND2-CB 3.33Å; N429-S432 WeakPolarHBondContact O-CB 3.27Å; N429-S432 PolarHBondContact O-N 2.74Å; N429-S432 PolarHBondContact OD1-N 2.94Å; L430-S432 VanDerWaalsContact C-N 3.29Å; L430-S432 PolarHBondContact O-N 3.15Å; S432-H434 VanDerWaalsContact C-N 3.25Å; S432-H434 PolarHBondContact O-N 3.39Å; S432-R435 CarbonylContact O-C 3.3Å; S432-R435 PolarHBondContact O-N 2.86Å; S432-D436 PolarHBondContact O-N 3.38Å
433	V	98.1	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.5	-41.9	178.3	173.9	0	0	0	0	111.5	Y112 V115 N429 L430 R435 W440 I465	Y112-V433 HydrophobicContact CD2-CG1 4.05Å; V115-V433 HydrophobicContact CB-CG2 4.13Å; V115-V433 HydrophobicContact CG2-CG2 3.81Å; N429-V433 WeakPolarHBondContact O-CG2 3.23Å; N429-V433 PolarHBondContact O-N 2.82Å; N429-V433 VanDerWaalsContact O-N 3.13Å; L430-V433 WeakPolarHBondContact O-CB 3.49Å; L430-V433 PolarHBondContact O-N 3.4Å; L430-V433 VanDerWaalsContact O-N 3.15Å; V433-R435 VanDerWaalsContact C-N 3.33Å; V433-W440 PolarHBondContact O-NE1 3.01Å; V433-I465 HydrophobicContact CG1-CD1 4.02Å; V433-I465 HydrophobicContact CG1-CG1 3.92Å
434	H	97.7	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-82.3	-10.1	-176.9	-72.4	170.8	0	0	0	113.9	R396 L430 S432 I465	R396-H434 HydrophobicContact CG-CB 3.7Å; R396-H434 PolarHBondContact NH1-O 3.47Å; R396-H434 WeakPolarHBondContact O-CB 3.26Å; L430-H434 WeakPolarHBondContact O-CB 3.39Å; L430-H434 PolarHBondContact O-N 2.92Å; S432-H434 VanDerWaalsContact C-N 3.25Å; S432-H434 PolarHBondContact O-N 3.39Å; H434-I465 PolarHBondContact NE2-N 3.13Å; H434-I465 VanDerWaalsContact NE2-N 3.14Å
435	R	95.8	Very high	96.2	Very high	35 Å²	35	36.4 Å²	36.4	13%	0.132	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	14.4	177.9	-73.6	-179.2	164.1	72.8	0.4	114.3	L397 Y431 S432 V433 P437 P443 D444	L397-R435 PolarHBondContact O-NH1 2.62Å; L397-R435 PolarHBondContact O-NH2 3.09Å; Y431-R435 VanDerWaalsContact CE2-CZ 3.45Å; Y431-R435 VanDerWaalsContact CZ-CD 3.42Å; Y431-R435 WeakPolarHBondContact O-CB 3.48Å; Y431-R435 PolarHBondContact O-N 3Å; Y431-R435 PolarHBondContact OH-NE 2.97Å; S432-R435 CarbonylContact O-C 3.3Å; S432-R435 PolarHBondContact O-N 2.86Å; V433-R435 VanDerWaalsContact C-N 3.33Å; R435-P437 VanDerWaalsContact O-CD 3.23Å; R435-P437 WeakPolarHBondContact O-CD 3.34Å; R435-P443 HydrophobicContact CB-CB 4.23Å; R435-P443 HydrophobicContact CG-CB 4.49Å; R435-P443 WeakPolarHBondContact O-CB 3.3Å; R435-D444 WeakPolarHBondContact CD-OD1 3.45Å; R435-D444 IonicContact NE-OD1 3.44Å; R435-D444 PolarHBondContact NE-OD1 2.86Å
436	D	95.2	Very high	96.2	Very high	28 Å²	28	37 Å²	37	15%	0.15	21%	0.213	C	C	.	.			trans	-67.8	113.7	178.5	-169.3	-26.5	0	0	0	109.9	S432 S438 V439 W440	S432-D436 PolarHBondContact O-N 3.38Å; D436-S438 PolarHBondContact O-N 2.79Å; D436-S438 VanDerWaalsContact O-N 3.14Å; D436-S438 WeakPolarHBondContact OD1-CB 3.45Å; D436-S438 PolarHBondContact OD1-N 2.79Å; D436-S438 PolarHBondContact OD1-OG 2.92Å; D436-S438 PolarHBondContact OD2-OG 3.24Å; D436-V439 HydrophobicContact CB-CB 4.32Å; D436-V439 HydrophobicContact CB-CG2 4.26Å; D436-V439 PolarHBondContact O-N 2.97Å; D436-W440 PolarHBondContact O-N 3.37Å
437	P	94.6	Very high	96.2	Very high	99 Å²	99	39.7 Å²	39.7	64%	0.643	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-11.7	-178	29.7	-36.1	0	0	0	112.9	R435 V439 P443	R435-P437 VanDerWaalsContact O-CD 3.23Å; R435-P437 WeakPolarHBondContact O-CD 3.34Å; P437-V439 VanDerWaalsContact C-N 3.29Å; P437-P443 HydrophobicContact CB-CG 4.3Å
438	S	92.9	Very high	96.2	Very high	102 Å²	102	38.2 Å²	38.2	71%	0.713	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.7	171.7	70.8	0	0	0	0	113.5	D436	D436-S438 PolarHBondContact O-N 2.79Å; D436-S438 VanDerWaalsContact O-N 3.14Å; D436-S438 WeakPolarHBondContact OD1-CB 3.45Å; D436-S438 PolarHBondContact OD1-N 2.79Å; D436-S438 PolarHBondContact OD1-OG 2.92Å; D436-S438 PolarHBondContact OD2-OG 3.24Å
439	V	94.3	Very high	96.1	Very high	44 Å²	44	40.6 Å²	40.6	27%	0.267	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-32.4	-176.4	179.4	0	0	0	0	111.9	D436 P437 S463	D436-V439 HydrophobicContact CB-CB 4.32Å; D436-V439 HydrophobicContact CB-CG2 4.26Å; D436-V439 PolarHBondContact O-N 2.97Å; P437-V439 VanDerWaalsContact C-N 3.29Å; V439-S463 VanDerWaalsContact CG1-OG 3.24Å; V439-S463 WeakPolarHBondContact CG1-OG 3.15Å
440	W	95.8	Very high	96	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	25%	0.245	C	C	.	.	S	Bend	trans	-121.5	114.5	-175.4	-57.1	97.3	0	0	0	109.9	R396 V433 D436 D442 P443 F451 R461 S463 F464	R396-W440 HydrophobicContact CG-CH2 4.25Å; R396-W440 HydrophobicContact CG-CZ2 4.24Å; R396-W440 HydrophobicContact CG-CZ3 4.44Å; V433-W440 PolarHBondContact O-NE1 3.01Å; D436-W440 PolarHBondContact O-N 3.37Å; W440-D442 PolarHBondContact O-N 3.49Å; W440-P443 HydrophobicContact CB-CB 4.08Å; W440-P443 WeakPolarHBondContact O-CD 3.31Å; W440-F451 AromaticContact CH2-CE1 3.9Å; W440-F451 HydrophobicContact CH2-CE1 3.9Å; W440-F451 AromaticContact CH2-CZ 3.73Å; W440-F451 HydrophobicContact CH2-CZ 3.73Å; W440-F451 AromaticContact CZ3-CE1 3.97Å; W440-F451 HydrophobicContact CZ3-CE1 3.97Å; W440-F451 HydrophobicContact CZ3-CE2 4.41Å; W440-F451 AromaticContact CZ3-CZ 3.67Å; W440-F451 HydrophobicContact CZ3-CZ 3.67Å; W440-R461 HydrophobicContact CH2-CB 4.36Å; W440-R461 VanDerWaalsContact CZ3-CD 3.48Å; W440-S463 WeakPolarHBondContact CZ2-OG 3.4Å; W440-F464 HydrophobicContact CH2-CB 4.03Å; W440-F464 HydrophobicContact CH2-CD2 4.26Å; W440-F464 HydrophobicContact CZ2-CB 4.36Å
441	D	94.5	Very high	96	Very high	122 Å²	122	41.7 Å²	41.7	65%	0.652	24%	0.244	S	C	*	.	S	Bend	trans	-63.8	132.7	171.7	-57.1	-50.9	0	0	0	109.5	R450	D441-R450 VanDerWaalsContact O-CZ 3.24Å; D441-R450 PolarHBondContact O-NH1 3.15Å
442	D	95.4	Very high	96	Very high	104 Å²	104	42.1 Å²	42.1	56%	0.556	25%	0.247	S	C	*	.	S	Bend	trans	43.4	65.5	-178.2	-170.6	19.5	0	0	0	112.8	W440 D444 A445 R450	W440-D442 PolarHBondContact O-N 3.49Å; D442-D444 PolarHBondContact O-N 3.31Å; D442-D444 VanDerWaalsContact O-N 3.09Å; D442-A445 PolarHBondContact O-N 3Å; D442-A445 WeakPolarHBondContact OD2-CB 3.44Å; D442-R450 PolarHBondContact O-NH2 3.13Å; D442-R450 VanDerWaalsContact O-NH2 3.14Å
443	P	95.5	Very high	95.9	Very high	18 Å²	18	44.2 Å²	44.2	12%	0.117	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.5	-162.5	23.6	-33.2	0	0	0	114.4	R396 L397 R435 P437 W440	R396-P443 VanDerWaalsContact CZ-O 3.23Å; R396-P443 PolarHBondContact NH1-O 3.22Å; R396-P443 PolarHBondContact NH2-O 3.39Å; L397-P443 WeakPolarHBondContact CD2-O 3.25Å; R435-P443 HydrophobicContact CB-CB 4.23Å; R435-P443 HydrophobicContact CG-CB 4.49Å; R435-P443 WeakPolarHBondContact O-CB 3.3Å; P437-P443 HydrophobicContact CB-CG 4.3Å; W440-P443 HydrophobicContact CB-CB 4.08Å; W440-P443 WeakPolarHBondContact O-CD 3.31Å
444	D	94.3	Very high	95.6	Very high	107 Å²	107	48.7 Å²	48.7	57%	0.572	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-12.9	-177.8	-67.5	-51.3	0	0	0	113.4	R435 D442	R435-D444 WeakPolarHBondContact CD-OD1 3.45Å; R435-D444 IonicContact NE-OD1 3.44Å; R435-D444 PolarHBondContact NE-OD1 2.86Å; D442-D444 PolarHBondContact O-N 3.31Å; D442-D444 VanDerWaalsContact O-N 3.09Å
445	A	96.3	Very high	95.4	Very high	30 Å²	30	55.7 Å²	55.7	25%	0.248	34%	0.336	C	S	.	.	S	Bend	trans	-83.4	137.8	177.6	0	0	0	0	0	112.2	E393 D442 N447 R450	E393-A445 VanDerWaalsContact OE1-O 3.09Å; D442-A445 PolarHBondContact O-N 3Å; D442-A445 WeakPolarHBondContact OD2-CB 3.44Å; A445-N447 PolarHBondContact O-N 3.49Å; A445-R450 PolarHBondContact O-NH2 2.99Å
446	F	97.7	Very high	95.2	Very high	17 Å²	17	55.6 Å²	55.6	8%	0.075	35%	0.346	C	S	.	.			trans	-75.4	107.5	172.8	179	-121.2	0	0	0	110.8	Y351 Y355 I358 E393 V394 L397 P448	Y351-F446 HydrophobicContact CD1-CB 4.13Å; Y351-F446 HydrophobicContact CD1-CD1 4.28Å; Y351-F446 AromaticContact CD1-CD2 3.94Å; Y351-F446 HydrophobicContact CD1-CD2 3.94Å; Y351-F446 HydrophobicContact CD1-CE2 4.47Å; Y351-F446 AromaticContact CD1-CG 3.85Å; Y351-F446 HydrophobicContact CD1-CG 3.85Å; Y351-F446 HydrophobicContact CE1-CB 4.2Å; Y351-F446 HydrophobicContact CE1-CD2 4.44Å; Y351-F446 HydrophobicContact CE1-CG 4.37Å; Y355-F446 AromaticContact CD1-CD1 3.99Å; Y355-F446 HydrophobicContact CD1-CD1 3.99Å; Y355-F446 AromaticContact CD2-CD1 3.5Å; Y355-F446 HydrophobicContact CD2-CD1 3.5Å; Y355-F446 HydrophobicContact CD2-CE1 4.09Å; Y355-F446 HydrophobicContact CD2-CG 4.3Å; Y355-F446 HydrophobicContact CE1-CB 4.35Å; Y355-F446 HydrophobicContact CE1-CD1 4.31Å; Y355-F446 HydrophobicContact CE2-CB 4.01Å; Y355-F446 AromaticContact CE2-CD1 3.88Å; Y355-F446 HydrophobicContact CE2-CD1 3.88Å; Y355-F446 HydrophobicContact CE2-CG 4.25Å; Y355-F446 AromaticContact CG-CD1 3.58Å; Y355-F446 HydrophobicContact CG-CD1 3.58Å; Y355-F446 HydrophobicContact CG-CE1 4.08Å; I358-F446 HydrophobicContact CB-CE1 4.13Å; I358-F446 HydrophobicContact CG1-CE1 4.06Å; I358-F446 HydrophobicContact CG2-CE1 3.82Å; I358-F446 HydrophobicContact CG2-CZ 4.07Å; E393-F446 HydrophobicContact CB-CD2 4.25Å; E393-F446 HydrophobicContact CB-CE2 4Å; E393-F446 HydrophobicContact CG-CD2 3.53Å; E393-F446 HydrophobicContact CG-CE2 3.79Å; V394-F446 HydrophobicContact CG2-CD2 4.35Å; V394-F446 HydrophobicContact CG2-CE2 3.59Å; V394-F446 HydrophobicContact CG2-CZ 4.12Å; L397-F446 HydrophobicContact CD1-CB 3.85Å; L397-F446 HydrophobicContact CD1-CD2 3.84Å; L397-F446 HydrophobicContact CD1-CG 4.32Å; F446-P448 HydrophobicContact CE1-CG 4.38Å; F446-P448 HydrophobicContact CE2-CG 4.24Å; F446-P448 HydrophobicContact CZ-CG 3.93Å
447	N	97.3	Very high	95.2	Very high	58 Å²	58	60 Å²	60	31%	0.31	36%	0.364	S	S	.	.			trans	-143.5	99.9	178	177.3	8.8	0	0	0	111.1	E393 A445 A449 R450	E393-N447 PolarHBondContact OE1-N 3.4Å; A445-N447 PolarHBondContact O-N 3.49Å; N447-A449 PolarHBondContact O-N 3.46Å; N447-A449 VanDerWaalsContact OD1-CB 3.25Å; N447-A449 WeakPolarHBondContact OD1-CB 3.4Å; N447-A449 PolarHBondContact OD1-N 3.45Å; N447-R450 HydrophobicContact CB-CG 4.17Å; N447-R450 VanDerWaalsContact CB-CZ 3.43Å; N447-R450 VanDerWaalsContact CB-NH2 3.25Å; N447-R450 WeakPolarHBondContact O-CG 3.23Å; N447-R450 PolarHBondContact O-N 3.31Å
448	P	97.6	Very high	95.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-55.9	-32.4	175.7	-27.5	36.2	0	0	0	114	I358 F386 A389 A390 F446 R450 F451	I358-P448 HydrophobicContact CD1-CG 4.36Å; I358-P448 HydrophobicContact CG2-CG 3.77Å; F386-P448 HydrophobicContact CE2-CB 4.08Å; F386-P448 HydrophobicContact CZ-CB 4.19Å; F386-P448 HydrophobicContact CZ-CG 4.29Å; A389-P448 HydrophobicContact CB-CB 4.24Å; A389-P448 WeakPolarHBondContact CB-O 3.38Å; A390-P448 HydrophobicContact CB-CB 4.2Å; A390-P448 HydrophobicContact CB-CG 3.98Å; F446-P448 HydrophobicContact CE1-CG 4.38Å; F446-P448 HydrophobicContact CE2-CG 4.24Å; F446-P448 HydrophobicContact CZ-CG 3.93Å; P448-R450 PolarHBondContact O-N 3.3Å; P448-F451 PolarHBondContact O-N 3.28Å
449	A	96.1	Very high	95.3	Very high	50 Å²	50	55.6 Å²	55.6	41%	0.413	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-61.6	-16.1	-175.8	0	0	0	0	0	113.7	N447 F451 L452	N447-A449 PolarHBondContact O-N 3.46Å; N447-A449 VanDerWaalsContact OD1-CB 3.25Å; N447-A449 WeakPolarHBondContact OD1-CB 3.4Å; N447-A449 PolarHBondContact OD1-N 3.45Å; A449-F451 PolarHBondContact O-N 3.41Å; A449-F451 VanDerWaalsContact O-N 3.16Å; A449-L452 PolarHBondContact O-N 3.01Å
450	R	95.6	Very high	95.2	Very high	26 Å²	26	64.4 Å²	64.4	10%	0.098	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-60.6	-22.8	172.7	-60.7	-177.7	-144.9	-71.8	-1.4	113.1	E393 D441 D442 A445 N447 P448 R461	E393-R450 IonicContact OE1-NE 3.02Å; E393-R450 PolarHBondContact OE1-NE 3.24Å; D441-R450 VanDerWaalsContact O-CZ 3.24Å; D441-R450 PolarHBondContact O-NH1 3.15Å; D442-R450 PolarHBondContact O-NH2 3.13Å; D442-R450 VanDerWaalsContact O-NH2 3.14Å; A445-R450 PolarHBondContact O-NH2 2.99Å; N447-R450 HydrophobicContact CB-CG 4.17Å; N447-R450 VanDerWaalsContact CB-CZ 3.43Å; N447-R450 VanDerWaalsContact CB-NH2 3.25Å; N447-R450 WeakPolarHBondContact O-CG 3.23Å; N447-R450 PolarHBondContact O-N 3.31Å; P448-R450 PolarHBondContact O-N 3.3Å; R450-R461 PolarHBondContact O-NE 2.94Å; R450-R461 PolarHBondContact O-NH2 3.08Å
451	F	97.5	Very high	95.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-99.8	14.1	176.3	-67.3	-74.5	0	0	0	113.3	A389 M392 E393 R396 W440 P448 A449 L458 L459 F464	A389-F451 HydrophobicContact CB-CB 3.83Å; M392-F451 HydrophobicContact CB-CD1 4.4Å; M392-F451 HydrophobicContact CB-CD2 3.98Å; M392-F451 HydrophobicContact CB-CE1 4.42Å; M392-F451 HydrophobicContact CB-CE2 4.02Å; M392-F451 HydrophobicContact CB-CG 4.17Å; M392-F451 HydrophobicContact CB-CZ 4.23Å; M392-F451 HydrophobicContact CE-CD1 3.42Å; M392-F451 VanDerWaalsContact CE-CD1 3.42Å; M392-F451 HydrophobicContact CE-CE1 3.66Å; M392-F451 HydrophobicContact CE-CG 4.1Å; E393-F451 HydrophobicContact CB-CD2 4.11Å; E393-F451 HydrophobicContact CB-CE2 3.95Å; E393-F451 VanDerWaalsContact OE2-CE2 3.26Å; E393-F451 WeakPolarHBondContact OE2-CE2 3.2Å; R396-F451 HydrophobicContact CB-CZ 4.36Å; W440-F451 AromaticContact CH2-CE1 3.9Å; W440-F451 HydrophobicContact CH2-CE1 3.9Å; W440-F451 AromaticContact CH2-CZ 3.73Å; W440-F451 HydrophobicContact CH2-CZ 3.73Å; W440-F451 AromaticContact CZ3-CE1 3.97Å; W440-F451 HydrophobicContact CZ3-CE1 3.97Å; W440-F451 HydrophobicContact CZ3-CE2 4.41Å; W440-F451 AromaticContact CZ3-CZ 3.67Å; W440-F451 HydrophobicContact CZ3-CZ 3.67Å; P448-F451 PolarHBondContact O-N 3.28Å; A449-F451 PolarHBondContact O-N 3.41Å; A449-F451 VanDerWaalsContact O-N 3.16Å; F451-L458 HydrophobicContact CB-CD1 4.33Å; F451-L458 CarbonylContact O-C 3.33Å; F451-L458 WeakPolarHBondContact O-CA 3.37Å; F451-L459 PolarHBondContact O-N 2.96Å; F451-F464 HydrophobicContact CE1-CB 4.15Å; F451-F464 HydrophobicContact CE1-CD1 4.37Å; F451-F464 AromaticContact CE1-CD2 3.93Å; F451-F464 HydrophobicContact CE1-CD2 3.93Å; F451-F464 HydrophobicContact CE1-CE2 4.43Å; F451-F464 AromaticContact CE1-CG 3.88Å; F451-F464 HydrophobicContact CE1-CG 3.88Å; F451-F464 AromaticContact CZ-CD2 3.68Å; F451-F464 HydrophobicContact CZ-CD2 3.68Å; F451-F464 AromaticContact CZ-CE2 3.95Å; F451-F464 HydrophobicContact CZ-CE2 3.95Å; F451-F464 HydrophobicContact CZ-CG 4.13Å
452	L	97.1	Very high	95	Very high	31 Å²	31	69 Å²	69	16%	0.162	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-120.4	143.8	177.7	-59.4	176.2	0	0	0	110.7	P385 F386 A389 A449 K457 L459	P385-L452 HydrophobicContact CB-CD2 3.95Å; F386-L452 HydrophobicContact CD2-CD1 3.72Å; A389-L452 HydrophobicContact CB-CD1 4.4Å; A389-L452 HydrophobicContact CB-CD2 3.89Å; A389-L452 HydrophobicContact CB-CG 3.96Å; A449-L452 PolarHBondContact O-N 3.01Å; L452-K457 CarbonylContact C-O 3.41Å; L452-K457 WeakPolarHBondContact CA-O 3.28Å; L452-L459 VanDerWaalsContact C-CD1 3.48Å; L452-L459 VanDerWaalsContact O-CD1 3.23Å; L452-L459 WeakPolarHBondContact O-CD1 3.13Å
453	D	95	Very high	95	Very high	56 Å²	56	64.5 Å²	64.5	30%	0.299	35%	0.346	S	S	.	.			trans	-84.8	179.7	170.1	68.5	16.5	0	0	0	111.6	E455 G456 K457 L459	D453-E455 PolarHBondContact O-N 3.46Å; D453-E455 VanDerWaalsContact O-N 3.12Å; D453-E455 WeakPolarHBondContact OD1-CA 3.29Å; D453-E455 WeakPolarHBondContact OD1-CB 3.18Å; D453-E455 PolarHBondContact OD1-N 3.31Å; D453-G456 PolarHBondContact O-N 3.44Å; D453-G456 PolarHBondContact OD1-N 3.24Å; D453-K457 PolarHBondContact N-O 3.03Å; D453-K457 PolarHBondContact OD1-N 3.47Å; D453-K457 WeakPolarHBondContact OD2-CB 3.39Å; D453-L459 HydrophobicContact CB-CD1 4.07Å; D453-L459 HydrophobicContact CB-CD2 3.76Å; D453-L459 HydrophobicContact CB-CG 3.81Å
454	G	92.2	Very high	95.2	Very high	93 Å²	93	65 Å²	65	96%	0.959	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.7	178.9	0	0	0	0	0	114.7
455	E	92.9	Very high	95.3	Very high	147 Å²	147	60.4 Å²	60.4	69%	0.687	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	1.8	174.8	-60.4	-176.7	177.7	0	0	112.4	D453 K457	D453-E455 PolarHBondContact O-N 3.46Å; D453-E455 VanDerWaalsContact O-N 3.12Å; D453-E455 WeakPolarHBondContact OD1-CA 3.29Å; D453-E455 WeakPolarHBondContact OD1-CB 3.18Å; D453-E455 PolarHBondContact OD1-N 3.31Å; E455-K457 VanDerWaalsContact C-N 3.33Å; E455-K457 WeakPolarHBondContact OE2-CE 3.43Å; E455-K457 IonicContact OE2-NZ 3.9Å; E455-K457 PolarHBondContact OE2-NZ 3.01Å
456	G	92.3	Very high	95.4	Very high	33 Å²	33	59.9 Å²	59.9	34%	0.34	32%	0.316	S	S	.	.	S	Bend	trans	76.2	16.4	-176.6	0	0	0	0	0	114.1	P385 D453	P385-G456 WeakPolarHBondContact CB-O 3.25Å; P385-G456 VanDerWaalsContact CG-O 3.24Å; P385-G456 WeakPolarHBondContact CG-O 3.39Å; D453-G456 PolarHBondContact O-N 3.44Å; D453-G456 PolarHBondContact OD1-N 3.24Å
457	K	94.9	Very high	95.4	Very high	120 Å²	120	60.7 Å²	60.7	52%	0.522	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-87.1	151.2	173.8	-63.8	171.7	178.9	154	0	110.8	L452 D453 E455 L459	L452-K457 CarbonylContact C-O 3.41Å; L452-K457 WeakPolarHBondContact CA-O 3.28Å; D453-K457 PolarHBondContact N-O 3.03Å; D453-K457 PolarHBondContact OD1-N 3.47Å; D453-K457 WeakPolarHBondContact OD2-CB 3.39Å; E455-K457 VanDerWaalsContact C-N 3.33Å; E455-K457 WeakPolarHBondContact OE2-CE 3.43Å; E455-K457 IonicContact OE2-NZ 3.9Å; E455-K457 PolarHBondContact OE2-NZ 3.01Å; K457-L459 PolarHBondContact O-N 2.86Å
458	L	95.7	Very high	95.3	Very high	46 Å²	46	58.6 Å²	58.6	24%	0.241	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-67.2	120.2	-178	-167.2	76.2	0	0	0	112.2	P385 E388 A389 M392 F451	P385-L458 HydrophobicContact CB-CB 4.4Å; E388-L458 HydrophobicContact CB-CD1 4.18Å; E388-L458 HydrophobicContact CB-CD2 4.36Å; E388-L458 VanDerWaalsContact CD-CD2 3.44Å; E388-L458 HydrophobicContact CG-CD1 4.06Å; E388-L458 HydrophobicContact CG-CD2 3.69Å; A389-L458 HydrophobicContact CB-CD1 4.1Å; M392-L458 HydrophobicContact SD-CD1 3.87Å; M392-L458 HydrophobicContact SD-CD2 4.02Å; M392-L458 HydrophobicContact SD-CG 4.28Å; F451-L458 HydrophobicContact CB-CD1 4.33Å; F451-L458 CarbonylContact O-C 3.33Å; F451-L458 WeakPolarHBondContact O-CA 3.37Å
459	L	94.4	Very high	95.3	Very high	64 Å²	64	59.8 Å²	59.8	34%	0.335	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-86.5	127.8	173.1	-73.8	177.6	0	0	0	111.6	F451 L452 D453 K457	F451-L459 PolarHBondContact O-N 2.96Å; L452-L459 VanDerWaalsContact C-CD1 3.48Å; L452-L459 VanDerWaalsContact O-CD1 3.23Å; L452-L459 WeakPolarHBondContact O-CD1 3.13Å; D453-L459 HydrophobicContact CB-CD1 4.07Å; D453-L459 HydrophobicContact CB-CD2 3.76Å; D453-L459 HydrophobicContact CB-CG 3.81Å; K457-L459 PolarHBondContact O-N 2.86Å
460	R	90.4	Very high	95.3	Very high	228 Å²	228	58.8 Å²	58.8	86%	0.86	31%	0.312	S	S	*	.			trans	-95	113	171.6	-66.1	-175.1	179.9	162.2	2.7	110.1
461	R	93.6	Very high	95.4	Very high	81 Å²	81	61.2 Å²	61.2	31%	0.306	32%	0.322	S	S	.	.			trans	-95.4	129.4	175.7	-64.2	-178.1	178.6	-115.1	0.1	110.2	W440 R450 S463 F464	W440-R461 HydrophobicContact CH2-CB 4.36Å; W440-R461 VanDerWaalsContact CZ3-CD 3.48Å; R450-R461 PolarHBondContact O-NE 2.94Å; R450-R461 PolarHBondContact O-NH2 3.08Å; R461-S463 PolarHBondContact O-N 3Å; R461-F464 HydrophobicContact CB-CB 4.26Å; R461-F464 WeakPolarHBondContact O-CB 3.13Å; R461-F464 PolarHBondContact O-N 3.42Å
462	E	94.1	Very high	95.3	Very high	138 Å²	138	62.2 Å²	62.2	65%	0.645	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.4	178.6	-59.2	-166.2	169.2	0	0	113.2	Y112 K116 F464 I465	Y112-E462 HydrophobicContact CE1-CB 4.47Å; Y112-E462 WeakPolarHBondContact CE2-O 3.23Å; Y112-E462 VanDerWaalsContact CZ-O 3.29Å; Y112-E462 VanDerWaalsContact OH-CB 3.32Å; Y112-E462 WeakPolarHBondContact OH-CB 3.41Å; Y112-E462 PolarHBondContact OH-O 3.01Å; Y112-E462 VanDerWaalsContact OH-O 3.09Å; K116-E462 IonicContact NZ-OE2 3.33Å; K116-E462 PolarHBondContact NZ-OE2 3.12Å; E462-F464 VanDerWaalsContact C-N 3.25Å; E462-F464 PolarHBondContact O-N 3.35Å; E462-I465 WeakPolarHBondContact O-CG2 3.43Å
463	S	95.8	Very high	95.3	Very high	10 Å²	10	62.9 Å²	62.9	7%	0.07	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.6	176.1	55.2	0	0	0	0	113.8	V439 W440 R461 I465	V439-S463 VanDerWaalsContact CG1-OG 3.24Å; V439-S463 WeakPolarHBondContact CG1-OG 3.15Å; W440-S463 WeakPolarHBondContact CZ2-OG 3.4Å; R461-S463 PolarHBondContact O-N 3Å; S463-I465 PolarHBondContact O-N 2.95Å; S463-I465 VanDerWaalsContact O-N 3.11Å
464	F	97.8	Very high	95.5	Very high	28 Å²	28	62.7 Å²	62.7	12%	0.123	33%	0.333	C	S	.	.			trans	-83.2	85.7	175.4	-175.3	-114	0	0	0	111.1	M392 Q395 R396 W440 F451 R461 E462 P466	M392-F464 HydrophobicContact CB-CE1 4.11Å; M392-F464 HydrophobicContact CB-CE2 4.45Å; M392-F464 HydrophobicContact CB-CZ 3.79Å; M392-F464 HydrophobicContact CE-CD1 3.6Å; M392-F464 HydrophobicContact CE-CE1 3.56Å; M392-F464 HydrophobicContact CE-CG 4.37Å; M392-F464 HydrophobicContact CE-CZ 4.31Å; M392-F464 HydrophobicContact CG-CE1 3.85Å; M392-F464 HydrophobicContact CG-CZ 3.96Å; M392-F464 VanDerWaalsContact O-CE2 3.25Å; M392-F464 WeakPolarHBondContact O-CE2 3.42Å; M392-F464 WeakPolarHBondContact O-CZ 3.44Å; M392-F464 HydrophobicContact SD-CE1 4.43Å; Q395-F464 HydrophobicContact CB-CE2 4.22Å; Q395-F464 HydrophobicContact CB-CZ 3.92Å; R396-F464 HydrophobicContact CB-CD2 4.18Å; R396-F464 HydrophobicContact CB-CE2 3.88Å; W440-F464 HydrophobicContact CH2-CB 4.03Å; W440-F464 HydrophobicContact CH2-CD2 4.26Å; W440-F464 HydrophobicContact CZ2-CB 4.36Å; F451-F464 HydrophobicContact CE1-CB 4.15Å; F451-F464 HydrophobicContact CE1-CD1 4.37Å; F451-F464 AromaticContact CE1-CD2 3.93Å; F451-F464 HydrophobicContact CE1-CD2 3.93Å; F451-F464 HydrophobicContact CE1-CE2 4.43Å; F451-F464 AromaticContact CE1-CG 3.88Å; F451-F464 HydrophobicContact CE1-CG 3.88Å; F451-F464 AromaticContact CZ-CD2 3.68Å; F451-F464 HydrophobicContact CZ-CD2 3.68Å; F451-F464 AromaticContact CZ-CE2 3.95Å; F451-F464 HydrophobicContact CZ-CE2 3.95Å; F451-F464 HydrophobicContact CZ-CG 4.13Å; R461-F464 HydrophobicContact CB-CB 4.26Å; R461-F464 WeakPolarHBondContact O-CB 3.13Å; R461-F464 PolarHBondContact O-N 3.42Å; E462-F464 VanDerWaalsContact C-N 3.25Å; E462-F464 PolarHBondContact O-N 3.35Å; F464-P466 HydrophobicContact CD1-CG 4.25Å; F464-P466 HydrophobicContact CD2-CG 4.48Å; F464-P466 HydrophobicContact CE1-CG 3.71Å; F464-P466 HydrophobicContact CE2-CG 3.95Å; F464-P466 HydrophobicContact CZ-CB 4.45Å; F464-P466 HydrophobicContact CZ-CG 3.55Å; F464-P466 VanDerWaalsContact O-CD 3.29Å; F464-P466 WeakPolarHBondContact O-CD 3.34Å
465	I	97.8	Very high	95.7	Very high	11 Å²	11	59.1 Å²	59.1	6%	0.056	29%	0.292	C	S	.	.			trans	-116.2	52	-175.9	58.6	165.7	0	0	0	115.2	Y112 V115 L430 V433 H434 E462 S463 F467 G468 I469	Y112-I465 HydrophobicContact CD2-CD1 4.35Å; Y112-I465 HydrophobicContact CE2-CG2 4.25Å; V115-I465 HydrophobicContact CG1-CD1 4.09Å; L430-I465 HydrophobicContact CD2-CD1 3.77Å; L430-I465 HydrophobicContact CD2-CG1 4.17Å; V433-I465 HydrophobicContact CG1-CD1 4.02Å; V433-I465 HydrophobicContact CG1-CG1 3.92Å; H434-I465 PolarHBondContact NE2-N 3.13Å; H434-I465 VanDerWaalsContact NE2-N 3.14Å; E462-I465 WeakPolarHBondContact O-CG2 3.43Å; S463-I465 PolarHBondContact O-N 2.95Å; S463-I465 VanDerWaalsContact O-N 3.11Å; I465-F467 PolarHBondContact O-N 3.18Å; I465-F467 VanDerWaalsContact O-N 3.09Å; I465-G468 PolarHBondContact O-N 3.44Å; I465-I469 HydrophobicContact CB-CG2 3.85Å; I465-I469 HydrophobicContact CD1-CD1 4.08Å; I465-I469 HydrophobicContact CD1-CG1 4.33Å; I465-I469 HydrophobicContact CD1-CG2 4.32Å; I465-I469 HydrophobicContact CG2-CG2 3.34Å
466	P	97.2	Very high	95.8	Very high	20 Å²	20	53.3 Å²	53.3	13%	0.13	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18	-178.2	29.8	-37.4	0	0	0	114.2	Q395 F464	Q395-P466 HydrophobicContact CB-CB 4.37Å; F464-P466 HydrophobicContact CD1-CG 4.25Å; F464-P466 HydrophobicContact CD2-CG 4.48Å; F464-P466 HydrophobicContact CE1-CG 3.71Å; F464-P466 HydrophobicContact CE2-CG 3.95Å; F464-P466 HydrophobicContact CZ-CB 4.45Å; F464-P466 HydrophobicContact CZ-CG 3.55Å; F464-P466 VanDerWaalsContact O-CD 3.29Å; F464-P466 WeakPolarHBondContact O-CD 3.34Å
467	F	97.8	Very high	96	Very high	33 Å²	33	54.4 Å²	54.4	15%	0.145	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	10	177.9	-63.7	-74.9	0	0	0	113.3	I465 C474 E477 A480 K481	I465-F467 PolarHBondContact O-N 3.18Å; I465-F467 VanDerWaalsContact O-N 3.09Å; F467-C474 HydrophobicContact CB-CB 3.77Å; F467-C474 HydrophobicContact CD1-CB 3.9Å; F467-C474 HydrophobicContact CG-CB 4.29Å; F467-C474 WeakPolarHBondContact O-CB 3.4Å; F467-C474 PolarHBondContact O-N 3.49Å; F467-E477 HydrophobicContact CB-CB 4.34Å; F467-E477 HydrophobicContact CB-CG 4.2Å; F467-E477 HydrophobicContact CD1-CB 4.11Å; F467-E477 HydrophobicContact CD1-CG 4.17Å; F467-E477 HydrophobicContact CD2-CB 4.48Å; F467-E477 HydrophobicContact CD2-CG 3.69Å; F467-E477 HydrophobicContact CE2-CG 4.09Å; F467-E477 HydrophobicContact CG-CB 4.05Å; F467-E477 HydrophobicContact CG-CG 3.74Å; F467-E477 HydrophobicContact CZ-CG 4.47Å; F467-A480 HydrophobicContact CE1-CB 3.71Å; F467-A480 HydrophobicContact CZ-CB 4.06Å; F467-K481 HydrophobicContact CE2-CD 4.41Å; F467-K481 HydrophobicContact CE2-CG 4.04Å; F467-K481 HydrophobicContact CZ-CG 4.13Å
468	G	96.8	Very high	96	Very high	14 Å²	14	52.8 Å²	52.8	14%	0.144	26%	0.261	C	S	.	.			trans	69.2	-170.9	-170.1	0	0	0	0	0	112.8	I465	I465-G468 PolarHBondContact O-N 3.44Å
469	I	97.1	Very high	96	Very high	27 Å²	27	50.9 Å²	50.9	14%	0.138	25%	0.252	C	S	.	.			trans	-147	170.7	-177.3	53.7	176.8	0	0	0	111.2	V115 K116 L119 I465	V115-I469 HydrophobicContact CG1-CD1 4.27Å; K116-I469 HydrophobicContact CB-CD1 4.26Å; L119-I469 HydrophobicContact CB-CD1 4.24Å; L119-I469 HydrophobicContact CB-CG1 3.87Å; L119-I469 HydrophobicContact CD1-CG1 3.99Å; I465-I469 HydrophobicContact CB-CG2 3.85Å; I465-I469 HydrophobicContact CD1-CD1 4.08Å; I465-I469 HydrophobicContact CD1-CG1 4.33Å; I465-I469 HydrophobicContact CD1-CG2 4.32Å; I465-I469 HydrophobicContact CG2-CG2 3.34Å
470	G	96.3	Very high	96.2	Very high	29 Å²	29	48.3 Å²	48.3	30%	0.299	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	76	-159.2	176.8	0	0	0	0	0	113.5	L119 R472 V473	L119-G470 WeakPolarHBondContact O-CA 3.36Å; G470-R472 PolarHBondContact O-N 2.97Å; G470-R472 VanDerWaalsContact O-N 3.09Å; G470-V473 WeakPolarHBondContact O-CB 3.41Å; G470-V473 WeakPolarHBondContact O-CG1 3.23Å; G470-V473 PolarHBondContact O-N 3.45Å; G470-V473 VanDerWaalsContact O-N 3.1Å
471	R	96.4	Very high	96.5	Very high	77 Å²	77	40.3 Å²	40.3	29%	0.291	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-62.7	-22	-173.2	-65.6	179.2	177.6	172.6	6.4	113.8	P123 D124 Y149 W153	P123-R471 HydrophobicContact CB-CG 3.89Å; D124-R471 IonicContact OD1-CZ 3.9Å; D124-R471 IonicContact OD1-NH1 3.12Å; D124-R471 PolarHBondContact OD1-NH1 3.26Å; D124-R471 IonicContact OD1-NH2 3.04Å; D124-R471 PolarHBondContact OD1-NH2 3.01Å; D124-R471 IonicContact OD2-CZ 3.75Å; D124-R471 IonicContact OD2-NH2 3.72Å; D124-R471 PolarHBondContact OD2-NH2 2.87Å; Y149-R471 HydrophobicContact CE2-CB 4.32Å; Y149-R471 WeakPolarHBondContact OH-CD 3.43Å; Y149-R471 PolarHBondContact OH-NH1 2.83Å; W153-R471 WeakPolarHBondContact CH2-O 3.19Å
472	R	97	Very high	96.6	Very high	21 Å²	21	36.9 Å²	36.9	8%	0.079	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-103.3	15.6	-179.3	-59.1	-63.1	-171.5	149.7	8.4	113.4	S127 A147 Y149 W153 G470	S127-R472 PolarHBondContact O-NE 3.35Å; S127-R472 PolarHBondContact O-NH2 2.68Å; A147-R472 PolarHBondContact O-NH1 2.83Å; A147-R472 PolarHBondContact O-NH2 2.76Å; Y149-R472 VanDerWaalsContact CB-NH2 3.26Å; W153-R472 VanDerWaalsContact CD2-NH1 3.26Å; W153-R472 VanDerWaalsContact CZ2-CD 3.47Å; W153-R472 VanDerWaalsContact CZ2-NH1 3.27Å; G470-R472 PolarHBondContact O-N 2.97Å; G470-R472 VanDerWaalsContact O-N 3.09Å
473	V	97.2	Very high	96.8	Very high	44 Å²	44	30.4 Å²	30.4	27%	0.267	17%	0.168	S	C	.	.			trans	-47.9	144.7	172.8	65.5	0	0	0	0	111.1	R157 G470 M475	R157-V473 PolarHBondContact NH1-O 3.08Å; R157-V473 PolarHBondContact NH2-O 3.14Å; G470-V473 WeakPolarHBondContact O-CB 3.41Å; G470-V473 WeakPolarHBondContact O-CG1 3.23Å; G470-V473 PolarHBondContact O-N 3.45Å; G470-V473 VanDerWaalsContact O-N 3.1Å; V473-M475 PolarHBondContact O-N 2.83Å
474	C	97.9	Very high	96.9	Very high	53 Å²	53	30 Å²	30	36%	0.358	17%	0.165	S	C	.	.			trans	-50.8	128.4	-177.3	-174.7	0	0	0	0	111.6	F467 G476 E477	F467-C474 HydrophobicContact CB-CB 3.77Å; F467-C474 HydrophobicContact CD1-CB 3.9Å; F467-C474 HydrophobicContact CG-CB 4.29Å; F467-C474 WeakPolarHBondContact O-CB 3.4Å; F467-C474 PolarHBondContact O-N 3.49Å; C474-G476 VanDerWaalsContact C-N 3.29Å; C474-G476 PolarHBondContact SG-N 3.29Å; C474-G476 VanDerWaalsContact SG-N 3.39Å; C474-E477 HydrophobicContact CB-CB 4.33Å
475	M	95.8	Very high	96.9	Very high	18 Å²	18	28.9 Å²	28.9	9%	0.089	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-27.5	178	-162.4	-179.7	77.8	0	0	112.1	R157 C160 H161 L164 L333 V473	R157-M475 HydrophobicContact CG-SD 4.06Å; C160-M475 HydrophobicContact CB-CE 4.13Å; C160-M475 HydrophobicContact CB-SD 4.24Å; H161-M475 HydrophobicContact CB-CG 3.97Å; H161-M475 HydrophobicContact CB-SD 3.91Å; L164-M475 HydrophobicContact CD1-CE 3.45Å; L164-M475 VanDerWaalsContact CD1-CE 3.45Å; L333-M475 HydrophobicContact CD2-CE 3.33Å; V473-M475 PolarHBondContact O-N 2.83Å
476	G	96.3	Very high	96.9	Very high	24 Å²	24	28.5 Å²	28.5	25%	0.247	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	10.9	-178	0	0	0	0	0	114.5	C474 Q478 L479 A480	C474-G476 VanDerWaalsContact C-N 3.29Å; C474-G476 PolarHBondContact SG-N 3.29Å; C474-G476 VanDerWaalsContact SG-N 3.39Å; G476-Q478 VanDerWaalsContact C-N 3.3Å; G476-Q478 PolarHBondContact O-N 3.31Å; G476-L479 PolarHBondContact O-N 3.2Å; G476-A480 PolarHBondContact O-N 2.93Å
477	E	96.1	Very high	97	Very high	57 Å²	57	28.1 Å²	28.1	27%	0.266	16%	0.155	S	C	.	.	H	α-helix	trans	-51.8	-46.3	-174.4	174.3	-179.6	173.9	0	0	113	F467 C474 K481	F467-E477 HydrophobicContact CB-CB 4.34Å; F467-E477 HydrophobicContact CB-CG 4.2Å; F467-E477 HydrophobicContact CD1-CB 4.11Å; F467-E477 HydrophobicContact CD1-CG 4.17Å; F467-E477 HydrophobicContact CD2-CB 4.48Å; F467-E477 HydrophobicContact CD2-CG 3.69Å; F467-E477 HydrophobicContact CE2-CG 4.09Å; F467-E477 HydrophobicContact CG-CB 4.05Å; F467-E477 HydrophobicContact CG-CG 3.74Å; F467-E477 HydrophobicContact CZ-CG 4.47Å; C474-E477 HydrophobicContact CB-CB 4.33Å; E477-K481 HydrophobicContact CG-CD 4.07Å; E477-K481 WeakPolarHBondContact O-CB 3.34Å; E477-K481 WeakPolarHBondContact O-CG 3.41Å; E477-K481 PolarHBondContact O-N 3.41Å; E477-K481 WeakPolarHBondContact OE1-CE 3.42Å; E477-K481 IonicContact OE1-NZ 2.78Å; E477-K481 PolarHBondContact OE1-NZ 2.61Å
478	Q	94.9	Very high	97	Very high	85 Å²	85	26.6 Å²	26.6	40%	0.397	15%	0.149	S	C	.	.	H	α-helix	trans	-65.1	-41.5	-179.3	-73.5	172.9	49.9	0	0	111.6	R165 L169 G476 M482	R165-Q478 VanDerWaalsContact NH1-OE1 3.12Å; L169-Q478 HydrophobicContact CD2-CB 4.26Å; G476-Q478 VanDerWaalsContact C-N 3.3Å; G476-Q478 PolarHBondContact O-N 3.31Å; Q478-M482 VanDerWaalsContact O-CG 3.27Å; Q478-M482 WeakPolarHBondContact O-CG 3.48Å; Q478-M482 PolarHBondContact O-N 2.57Å; Q478-M482 VanDerWaalsContact O-N 3.14Å
479	L	96	Very high	97.1	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-50.2	177.3	-177	60.6	0	0	0	111.1	L169 L174 V214 I215 L218 G476 K481 M482 E483	L169-L479 HydrophobicContact CD1-CB 4.42Å; L169-L479 HydrophobicContact CG-CB 4.17Å; L174-L479 HydrophobicContact CD1-CD1 3.66Å; V214-L479 HydrophobicContact CG1-CD1 3.98Å; I215-L479 HydrophobicContact CD1-CD2 4.38Å; L218-L479 HydrophobicContact CD1-CD1 4.44Å; L218-L479 HydrophobicContact CD1-CD2 3.78Å; G476-L479 PolarHBondContact O-N 3.2Å; L479-K481 VanDerWaalsContact C-N 3.3Å; L479-K481 PolarHBondContact O-N 3.23Å; L479-M482 WeakPolarHBondContact O-CA 3.49Å; L479-M482 WeakPolarHBondContact O-CB 3.38Å; L479-M482 PolarHBondContact O-N 2.87Å; L479-E483 HydrophobicContact CD1-CG 4.21Å; L479-E483 HydrophobicContact CG-CG 4.32Å; L479-E483 WeakPolarHBondContact CG-OE1 3.47Å; L479-E483 WeakPolarHBondContact O-CG 3.44Å; L479-E483 PolarHBondContact O-N 3.37Å
480	A	97.3	Very high	97.1	Very high	9 Å²	9	25.1 Å²	25.1	7%	0.074	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-41.7	179.7	0	0	0	0	0	111.9	F467 G476 M482 E483 L484	F467-A480 HydrophobicContact CE1-CB 3.71Å; F467-A480 HydrophobicContact CZ-CB 4.06Å; G476-A480 PolarHBondContact O-N 2.93Å; A480-M482 VanDerWaalsContact C-N 3.34Å; A480-M482 PolarHBondContact O-N 2.8Å; A480-E483 PolarHBondContact O-N 2.9Å; A480-L484 VanDerWaalsContact O-CB 3.3Å; A480-L484 WeakPolarHBondContact O-CB 3.35Å; A480-L484 WeakPolarHBondContact O-CD1 3.36Å; A480-L484 WeakPolarHBondContact O-CG 3.47Å; A480-L484 PolarHBondContact O-N 3.43Å
481	K	96.9	Very high	97.2	Very high	61 Å²	61	23.8 Å²	23.8	27%	0.265	13%	0.126	S	C	.	.	H	α-helix	trans	-62	-39.4	174.8	-77.4	174.7	170.8	176.4	0	112.4	F467 E477 L479 F485	F467-K481 HydrophobicContact CE2-CD 4.41Å; F467-K481 HydrophobicContact CE2-CG 4.04Å; F467-K481 HydrophobicContact CZ-CG 4.13Å; E477-K481 HydrophobicContact CG-CD 4.07Å; E477-K481 WeakPolarHBondContact O-CB 3.34Å; E477-K481 WeakPolarHBondContact O-CG 3.41Å; E477-K481 PolarHBondContact O-N 3.41Å; E477-K481 WeakPolarHBondContact OE1-CE 3.42Å; E477-K481 IonicContact OE1-NZ 2.78Å; E477-K481 PolarHBondContact OE1-NZ 2.61Å; L479-K481 VanDerWaalsContact C-N 3.3Å; L479-K481 PolarHBondContact O-N 3.23Å; K481-F485 VanDerWaalsContact O-CB 3.31Å; K481-F485 WeakPolarHBondContact O-CB 3.3Å; K481-F485 PolarHBondContact O-N 3.17Å; K481-F485 VanDerWaalsContact O-N 3.16Å
482	M	96.2	Very high	97.3	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.039	11%	0.112	C	C	.	.	H	α-helix	trans	-67.1	-49.2	175.9	-69.3	162.1	62.6	0	0	111.5	G170 R171 L174 I178 L378 Q478 L479 A480 L484 F485 L486	G170-M482 WeakPolarHBondContact CA-SD 3.4Å; G170-M482 PolarHBondContact N-SD 2.85Å; R171-M482 WeakPolarHBondContact O-CE 3.5Å; L174-M482 HydrophobicContact CB-CE 4.12Å; I178-M482 HydrophobicContact CD1-CB 4.38Å; L378-M482 HydrophobicContact CD1-CB 4.2Å; L378-M482 HydrophobicContact CD1-CE 3.31Å; L378-M482 HydrophobicContact CD1-CG 3.72Å; L378-M482 HydrophobicContact CD1-SD 4.1Å; L378-M482 HydrophobicContact CD2-CB 3.78Å; L378-M482 HydrophobicContact CD2-CG 3.66Å; L378-M482 HydrophobicContact CG-CG 4.37Å; Q478-M482 VanDerWaalsContact O-CG 3.27Å; Q478-M482 WeakPolarHBondContact O-CG 3.48Å; Q478-M482 PolarHBondContact O-N 2.57Å; Q478-M482 VanDerWaalsContact O-N 3.14Å; L479-M482 WeakPolarHBondContact O-CA 3.49Å; L479-M482 WeakPolarHBondContact O-CB 3.38Å; L479-M482 PolarHBondContact O-N 2.87Å; A480-M482 VanDerWaalsContact C-N 3.34Å; A480-M482 PolarHBondContact O-N 2.8Å; M482-L484 PolarHBondContact O-N 3.13Å; M482-F485 PolarHBondContact O-N 3.42Å; M482-L486 WeakPolarHBondContact O-CB 3.35Å; M482-L486 WeakPolarHBondContact O-CG 3.39Å; M482-L486 PolarHBondContact O-N 2.85Å
483	E	97.8	Very high	97.3	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-45.8	-179.5	-71.1	-172.3	-90.6	0	0	111.5	I178 V214 T341 L479 A480 T487	I178-E483 HydrophobicContact CD1-CG 3.84Å; I178-E483 HydrophobicContact CG1-CG 4.21Å; V214-E483 WeakPolarHBondContact CB-OE2 3.39Å; V214-E483 HydrophobicContact CG1-CG 4.21Å; T341-E483 HydrophobicContact CG2-CB 3.81Å; L479-E483 HydrophobicContact CD1-CG 4.21Å; L479-E483 HydrophobicContact CG-CG 4.32Å; L479-E483 WeakPolarHBondContact CG-OE1 3.47Å; L479-E483 WeakPolarHBondContact O-CG 3.44Å; L479-E483 PolarHBondContact O-N 3.37Å; A480-E483 PolarHBondContact O-N 2.9Å; E483-T487 WeakPolarHBondContact O-CB 3.18Å; E483-T487 PolarHBondContact O-N 3.37Å; E483-T487 PolarHBondContact O-OG1 3.01Å
484	L	98.3	Very high	97.2	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-59.9	-50.9	176.9	-75.2	166.6	0	0	0	111.4	V345 I391 A480 M482 V488	V345-L484 HydrophobicContact CG2-CD2 3.65Å; I391-L484 HydrophobicContact CG2-CB 4.19Å; A480-L484 VanDerWaalsContact O-CB 3.3Å; A480-L484 WeakPolarHBondContact O-CB 3.35Å; A480-L484 WeakPolarHBondContact O-CD1 3.36Å; A480-L484 WeakPolarHBondContact O-CG 3.47Å; A480-L484 PolarHBondContact O-N 3.43Å; M482-L484 PolarHBondContact O-N 3.13Å; L484-V488 WeakPolarHBondContact O-CB 3.13Å; L484-V488 WeakPolarHBondContact O-CG2 3.36Å; L484-V488 PolarHBondContact O-N 2.63Å
485	F	98.4	Very high	97.2	Very high	4 Å²	4	16 Å²	16	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-60.9	-54.2	-178.7	173.9	-95.9	0	0	0	111.9	S377 L378 R381 L384 K481 M482 T487 S489	S377-F485 WeakPolarHBondContact O-CE1 3.35Å; L378-F485 HydrophobicContact CD2-CD1 4.09Å; R381-F485 HydrophobicContact CB-CD1 4.19Å; R381-F485 HydrophobicContact CB-CD2 4.18Å; R381-F485 HydrophobicContact CB-CE1 3.86Å; R381-F485 HydrophobicContact CB-CE2 3.83Å; R381-F485 HydrophobicContact CB-CG 4.34Å; R381-F485 HydrophobicContact CB-CZ 3.65Å; R381-F485 HydrophobicContact CG-CD2 3.88Å; R381-F485 HydrophobicContact CG-CE2 3.91Å; R381-F485 HydrophobicContact CG-CG 4.18Å; R381-F485 HydrophobicContact CG-CZ 4.25Å; L384-F485 HydrophobicContact CB-CE2 4.19Å; L384-F485 HydrophobicContact CD1-CE2 3.87Å; L384-F485 HydrophobicContact CD1-CZ 3.66Å; K481-F485 VanDerWaalsContact O-CB 3.31Å; K481-F485 WeakPolarHBondContact O-CB 3.3Å; K481-F485 PolarHBondContact O-N 3.17Å; K481-F485 VanDerWaalsContact O-N 3.16Å; M482-F485 PolarHBondContact O-N 3.42Å; F485-T487 PolarHBondContact O-N 2.76Å; F485-S489 VanDerWaalsContact O-CB 3.23Å; F485-S489 WeakPolarHBondContact O-CB 3.28Å; F485-S489 PolarHBondContact O-N 3.2Å; F485-S489 PolarHBondContact O-OG 3.04Å
486	L	98.3	Very high	97.2	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-66.7	-38.2	-176.5	-70.9	172.8	0	0	0	112.2	E175 I178 P376 L378 M482 G490	E175-L486 HydrophobicContact CB-CD1 4.28Å; E175-L486 HydrophobicContact CG-CD1 3.86Å; E175-L486 HydrophobicContact CG-CD2 4.23Å; I178-L486 HydrophobicContact CB-CD1 4.03Å; I178-L486 HydrophobicContact CD1-CD1 3.77Å; I178-L486 HydrophobicContact CG1-CD1 4.5Å; I178-L486 HydrophobicContact CG2-CB 3.73Å; I178-L486 HydrophobicContact CG2-CD1 3.96Å; P376-L486 WeakPolarHBondContact O-CD2 3.49Å; L378-L486 HydrophobicContact CD1-CD1 4.21Å; L378-L486 HydrophobicContact CD2-CD1 3.91Å; L378-L486 HydrophobicContact CD2-CD2 4.19Å; L378-L486 HydrophobicContact CD2-CG 3.78Å; L378-L486 HydrophobicContact CG-CD1 3.85Å; L378-L486 HydrophobicContact CG-CD2 4.11Å; L378-L486 HydrophobicContact CG-CG 4.05Å; M482-L486 WeakPolarHBondContact O-CB 3.35Å; M482-L486 WeakPolarHBondContact O-CG 3.39Å; M482-L486 PolarHBondContact O-N 2.85Å; L486-G490 WeakPolarHBondContact O-CA 3.2Å; L486-G490 PolarHBondContact O-N 3.04Å
487	T	98.4	Very high	97.3	Very high	11 Å²	11	15 Å²	15	7%	0.067	8%	0.078	C	C	.	.	H	α-helix	trans	-68.7	-49.8	179.2	-56	0	0	0	0	111.1	V182 I207 V345 E483 F485 L491	V182-T487 HydrophobicContact CG2-CG2 4.25Å; I207-T487 HydrophobicContact CD1-CG2 4.47Å; V345-T487 HydrophobicContact CG1-CG2 3.88Å; V345-T487 HydrophobicContact CG2-CG2 4.23Å; E483-T487 WeakPolarHBondContact O-CB 3.18Å; E483-T487 PolarHBondContact O-N 3.37Å; E483-T487 PolarHBondContact O-OG1 3.01Å; F485-T487 PolarHBondContact O-N 2.76Å; T487-L491 HydrophobicContact CG2-CD1 3.9Å; T487-L491 HydrophobicContact CG2-CG 4.49Å; T487-L491 VanDerWaalsContact O-CB 3.29Å; T487-L491 WeakPolarHBondContact O-CB 3.41Å; T487-L491 WeakPolarHBondContact O-CG 3.34Å; T487-L491 PolarHBondContact O-N 3.07Å
488	V	98.4	Very high	97.2	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-66.2	-51	-178.6	172.9	0	0	0	0	110.5	V348 L352 I391 L484 G490 L491 L492	V348-V488 HydrophobicContact CB-CG2 4.05Å; V348-V488 HydrophobicContact CG1-CB 4.33Å; V348-V488 HydrophobicContact CG1-CG1 3.69Å; V348-V488 HydrophobicContact CG1-CG2 3.61Å; V348-V488 HydrophobicContact CG2-CG2 4.45Å; L352-V488 HydrophobicContact CD1-CG1 4.34Å; I391-V488 HydrophobicContact CD1-CB 3.98Å; I391-V488 HydrophobicContact CD1-CG1 4.08Å; I391-V488 HydrophobicContact CD1-CG2 4.36Å; I391-V488 HydrophobicContact CG1-CB 4.33Å; I391-V488 HydrophobicContact CG1-CG1 4.08Å; I391-V488 HydrophobicContact CG1-CG2 4.39Å; L484-V488 WeakPolarHBondContact O-CB 3.13Å; L484-V488 WeakPolarHBondContact O-CG2 3.36Å; L484-V488 PolarHBondContact O-N 2.63Å; V488-G490 PolarHBondContact O-N 3Å; V488-L491 PolarHBondContact O-N 3.06Å; V488-L492 HydrophobicContact CG1-CD1 3.59Å; V488-L492 HydrophobicContact CG1-CG 4.36Å; V488-L492 WeakPolarHBondContact O-CB 3.4Å; V488-L492 VanDerWaalsContact O-CG 3.25Å; V488-L492 WeakPolarHBondContact O-CG 3.26Å; V488-L492 PolarHBondContact O-N 2.86Å
489	S	98.3	Very high	97.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.8	-41.8	-179.8	61.2	0	0	0	0	112.2	P376 F485 L492 Q493	P376-S489 WeakPolarHBondContact CB-OG 3.29Å; F485-S489 VanDerWaalsContact O-CB 3.23Å; F485-S489 WeakPolarHBondContact O-CB 3.28Å; F485-S489 PolarHBondContact O-N 3.2Å; F485-S489 PolarHBondContact O-OG 3.04Å; S489-L492 PolarHBondContact O-N 2.76Å; S489-Q493 VanDerWaalsContact O-CB 3.28Å; S489-Q493 WeakPolarHBondContact O-CB 3.29Å; S489-Q493 PolarHBondContact O-N 3.48Å
490	G	97.7	Very high	97	Very high	10 Å²	10	15.3 Å²	15.3	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-66.5	-38	178.9	0	0	0	0	0	113	L486 V488	L486-G490 WeakPolarHBondContact O-CA 3.2Å; L486-G490 PolarHBondContact O-N 3.04Å; V488-G490 PolarHBondContact O-N 3Å
491	L	98.2	Very high	96.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-44.2	173.8	-72.1	176.3	0	0	0	111.8	V182 V185 K186 I207 L349 T487 V488 A494 C495 F497	V182-L491 HydrophobicContact CG1-CD2 4.24Å; V182-L491 HydrophobicContact CG1-CG 4.26Å; V185-L491 HydrophobicContact CB-CD2 4.47Å; V185-L491 HydrophobicContact CG1-CD2 3.98Å; K186-L491 HydrophobicContact CB-CD2 4.4Å; I207-L491 HydrophobicContact CD1-CD1 4.01Å; L349-L491 HydrophobicContact CD1-CD1 4.3Å; L349-L491 HydrophobicContact CD2-CD1 4.26Å; T487-L491 HydrophobicContact CG2-CD1 3.9Å; T487-L491 HydrophobicContact CG2-CG 4.49Å; T487-L491 VanDerWaalsContact O-CB 3.29Å; T487-L491 WeakPolarHBondContact O-CB 3.41Å; T487-L491 WeakPolarHBondContact O-CG 3.34Å; T487-L491 PolarHBondContact O-N 3.07Å; V488-L491 PolarHBondContact O-N 3.06Å; L491-A494 PolarHBondContact O-N 2.96Å; L491-C495 WeakPolarHBondContact O-CA 3.27Å; L491-C495 WeakPolarHBondContact O-CB 3.49Å; L491-C495 PolarHBondContact O-N 3.44Å; L491-F497 HydrophobicContact CB-CE2 4.02Å; L491-F497 HydrophobicContact CB-CZ 3.95Å; L491-F497 HydrophobicContact CD1-CZ 4.48Å
492	L	98.1	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-73.4	-27.7	-179.4	-67.2	172.9	0	0	0	113.5	L352 Q359 V362 Q363 I366 V488 S489 A494 F497 R528	L352-L492 HydrophobicContact CD1-CD1 3.44Å; L352-L492 VanDerWaalsContact CD1-CD1 3.44Å; L352-L492 HydrophobicContact CD1-CD2 4.16Å; L352-L492 HydrophobicContact CD1-CG 4.33Å; Q359-L492 HydrophobicContact CG-CD2 3.77Å; V362-L492 HydrophobicContact CB-CD1 4.35Å; V362-L492 HydrophobicContact CG1-CD1 3.45Å; V362-L492 VanDerWaalsContact CG1-CD1 3.45Å; Q363-L492 HydrophobicContact CG-CB 4.27Å; I366-L492 HydrophobicContact CD1-CB 3.97Å; V488-L492 HydrophobicContact CG1-CD1 3.59Å; V488-L492 HydrophobicContact CG1-CG 4.36Å; V488-L492 WeakPolarHBondContact O-CB 3.4Å; V488-L492 VanDerWaalsContact O-CG 3.25Å; V488-L492 WeakPolarHBondContact O-CG 3.26Å; V488-L492 PolarHBondContact O-N 2.86Å; S489-L492 PolarHBondContact O-N 2.76Å; L492-A494 PolarHBondContact O-N 2.8Å; L492-F497 HydrophobicContact CD2-CD2 3.85Å; L492-F497 HydrophobicContact CD2-CE2 4.04Å; L492-R528 WeakPolarHBondContact O-CD 3.36Å; L492-R528 PolarHBondContact O-NH1 3.28Å
493	Q	97.2	Very high	95	Very high	22 Å²	22	25.5 Å²	25.5	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-40.9	169.7	-172.3	-170.8	53.5	0	0	110.4	I366 G371 R374 P376 S489 R528	I366-Q493 HydrophobicContact CG2-CB 3.87Å; I366-Q493 HydrophobicContact CG2-CG 3.96Å; G371-Q493 PolarHBondContact O-NE2 3.06Å; R374-Q493 PolarHBondContact O-NE2 3.04Å; P376-Q493 HydrophobicContact CG-CB 4.35Å; S489-Q493 VanDerWaalsContact O-CB 3.28Å; S489-Q493 WeakPolarHBondContact O-CB 3.29Å; S489-Q493 PolarHBondContact O-N 3.48Å; Q493-R528 PolarHBondContact O-NH1 2.63Å
494	A	95.1	Very high	94.4	Very high	11 Å²	11	31 Å²	31	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-96.9	-27	-170.6	0	0	0	0	0	115	K186 L491 L492 R528	K186-A494 HydrophobicContact CD-CB 3.55Å; K186-A494 HydrophobicContact CG-CB 4.22Å; L491-A494 PolarHBondContact O-N 2.96Å; L492-A494 PolarHBondContact O-N 2.8Å; A494-R528 PolarHBondContact O-N 2.86Å
495	C	96.6	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.9	-167.7	-63.4	0	0	0	0	112.3	Q363 L491 F497 V525 S526	Q363-C495 PolarHBondContact NE2-O 3.31Å; Q363-C495 VanDerWaalsContact NE2-O 3.14Å; L491-C495 WeakPolarHBondContact O-CA 3.27Å; L491-C495 WeakPolarHBondContact O-CB 3.49Å; L491-C495 PolarHBondContact O-N 3.44Å; C495-F497 HydrophobicContact CB-CE2 4.04Å; C495-F497 HydrophobicContact CB-CZ 3.93Å; C495-V525 HydrophobicContact CB-CG1 3.81Å; C495-S526 CarbonylContact C-O 3.52Å; C495-S526 WeakPolarHBondContact CA-O 3.32Å
496	T	97.6	Very high	93.2	Very high	20 Å²	20	35.5 Å²	35.5	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.8	165.5	-63.4	0	0	0	0	109	Q363 R498 S526 R528	Q363-T496 PolarHBondContact NE2-OG1 3.41Å; Q363-T496 VanDerWaalsContact NE2-OG1 3.08Å; Q363-T496 PolarHBondContact OE1-OG1 3.3Å; T496-R498 HydrophobicContact CG2-CG 4.36Å; T496-S526 PolarHBondContact N-O 2.98Å; T496-S526 PolarHBondContact O-N 3.11Å; T496-R528 WeakPolarHBondContact OG1-CG 3.46Å
497	F	96.8	Very high	92.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.1	-179.1	-60.6	-83.6	0	0	0	110	L189 L349 A353 Q359 L491 L492 C495 L523 V525	L189-F497 HydrophobicContact CD1-CE1 4.17Å; L349-F497 HydrophobicContact CD2-CD2 4.12Å; L349-F497 HydrophobicContact CD2-CE1 4.46Å; L349-F497 HydrophobicContact CD2-CE2 3.9Å; L349-F497 HydrophobicContact CD2-CZ 4.08Å; A353-F497 HydrophobicContact CB-CB 4.39Å; Q359-F497 PolarHBondContact NE2-O 2.92Å; L491-F497 HydrophobicContact CB-CE2 4.02Å; L491-F497 HydrophobicContact CB-CZ 3.95Å; L491-F497 HydrophobicContact CD1-CZ 4.48Å; L492-F497 HydrophobicContact CD2-CD2 3.85Å; L492-F497 HydrophobicContact CD2-CE2 4.04Å; C495-F497 HydrophobicContact CB-CE2 4.04Å; C495-F497 HydrophobicContact CB-CZ 3.93Å; F497-L523 HydrophobicContact CB-CD1 4.35Å; F497-L523 HydrophobicContact CD1-CB 4.43Å; F497-L523 HydrophobicContact CD1-CD1 3.72Å; F497-L523 HydrophobicContact CE1-CD1 4.46Å; F497-L523 HydrophobicContact CG-CD1 4.32Å; F497-V525 HydrophobicContact CD1-CG1 4.33Å; F497-V525 HydrophobicContact CD1-CG2 3.92Å; F497-V525 HydrophobicContact CE1-CG1 3.97Å; F497-V525 HydrophobicContact CE1-CG2 3.95Å
498	R	95.3	Very high	92.3	Very high	100 Å²	100	40.5 Å²	40.5	38%	0.377	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.6	175.2	-61.6	-67	175.6	137.5	-9.1	109.7	P356 D360 T496 L523 C524	P356-R498 VanDerWaalsContact CB-NH1 3.3Å; D360-R498 IonicContact OD1-NH2 3.96Å; D360-R498 IonicContact OD2-NH2 3.58Å; T496-R498 HydrophobicContact CG2-CG 4.36Å; R498-L523 CarbonylContact O-C 3.37Å; R498-L523 WeakPolarHBondContact O-CA 3.21Å; R498-C524 PolarHBondContact N-O 3.44Å; R498-C524 PolarHBondContact O-N 3.4Å
499	L	94.2	Very high	91.7	Very high	39 Å²	39	44.8 Å²	44.8	20%	0.204	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-72.7	147.5	168	-64.1	-178.9	0	0	0	110.1	L350 A353 L354 D501 P506 L523	L350-L499 HydrophobicContact CD1-CD2 4.49Å; A353-L499 HydrophobicContact CB-CD2 4.33Å; L354-L499 HydrophobicContact CD2-CD1 3.58Å; L354-L499 HydrophobicContact CG-CD1 4.29Å; L499-D501 PolarHBondContact O-N 2.89Å; L499-P506 HydrophobicContact CD2-CG 4.04Å; L499-L523 HydrophobicContact CD2-CD2 4.2Å
500	P	91.9	Very high	91.3	Very high	17 Å²	17	45.6 Å²	45.6	11%	0.11	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-53.4	134.7	169.4	-29.3	37.1	0	0	0	112.5	A198 G502 A503 A522	A198-P500 WeakPolarHBondContact O-CB 3.42Å; P500-G502 PolarHBondContact O-N 3Å; P500-A503 HydrophobicContact CB-CB 4.05Å; P500-A503 WeakPolarHBondContact O-CB 3.23Å; P500-A503 PolarHBondContact O-N 2.83Å; P500-A522 WeakPolarHBondContact CD-O 3.47Å; P500-A522 HydrophobicContact CG-CB 4.03Å
501	D	86.4	Confident	90.9	Very high	155 Å²	155	48.9 Å²	48.9	83%	0.829	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	132.2	-179.4	-71.4	-31.6	0	0	0	111.4	L499 A503	L499-D501 PolarHBondContact O-N 2.89Å; D501-A503 PolarHBondContact O-N 3.45Å
502	G	81.3	Confident	90.4	Very high	87 Å²	87	49.8 Å²	49.8	90%	0.897	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-0.7	179.4	0	0	0	0	0	115.3	P500	P500-G502 PolarHBondContact O-N 3Å
503	A	81.2	Confident	89.8	Confident	50 Å²	50	49.9 Å²	49.9	41%	0.413	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-74.9	142	171.1	0	0	0	0	0	110.8	P500 D501	P500-A503 HydrophobicContact CB-CB 4.05Å; P500-A503 WeakPolarHBondContact O-CB 3.23Å; P500-A503 PolarHBondContact O-N 2.83Å; D501-A503 PolarHBondContact O-N 3.45Å
504	P	83.9	Confident	89.4	Confident	118 Å²	118	50.8 Å²	50.8	77%	0.766	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-63.1	144.7	171.4	28	-33.8	0	0	0	110.1
505	A	84.5	Confident	89.3	Confident	73 Å²	73	50.7 Å²	50.7	60%	0.603	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-54.8	130.9	175.1	0	0	0	0	0	110.2	L354	L354-A505 HydrophobicContact CD2-CB 4.2Å
506	P	88.3	Confident	89.2	Confident	27 Å²	27	51 Å²	51	18%	0.175	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-59	145.6	176.8	-24.5	34.2	0	0	0	111.7	L350 L499 L508 F521	L350-P506 HydrophobicContact CD1-CB 3.95Å; L350-P506 HydrophobicContact CD1-CG 3.79Å; L350-P506 HydrophobicContact CD2-CB 4.45Å; L499-P506 HydrophobicContact CD2-CG 4.04Å; P506-L508 PolarHBondContact O-N 3.1Å; P506-F521 HydrophobicContact CB-CB 4.01Å; P506-F521 HydrophobicContact CG-CB 3.77Å
507	S	87.4	Confident	89	Confident	53 Å²	53	50.2 Å²	50.2	37%	0.371	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-67.1	129.1	177.1	175.7	0	0	0	0	111.5	H509	S507-H509 PolarHBondContact OG-N 2.89Å
508	L	90.3	Very high	88.9	Confident	67 Å²	67	50.5 Å²	50.5	35%	0.351	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-1.4	176.4	-63.2	-179.3	0	0	0	114	W347 L350 Y351 L354 P506 G510	W347-L508 WeakPolarHBondContact CH2-O 3.4Å; W347-L508 HydrophobicContact CZ3-CD2 3.9Å; L350-L508 HydrophobicContact CD2-CD2 3.99Å; L350-L508 HydrophobicContact CG-CD2 4.32Å; Y351-L508 HydrophobicContact CE1-CD1 4.42Å; Y351-L508 HydrophobicContact CE2-CD2 4.21Å; L354-L508 HydrophobicContact CD1-CD1 4.38Å; L354-L508 HydrophobicContact CD1-CD2 3.7Å; L354-L508 HydrophobicContact CD1-CG 4.36Å; P506-L508 PolarHBondContact O-N 3.1Å; L508-G510 PolarHBondContact O-N 3.48Å
509	H	85.9	Confident	88.8	Confident	91 Å²	91	47.3 Å²	47.3	42%	0.421	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25	177.4	-70.1	-64.8	0	0	0	113.2	N79 E84 S507	N79-H509 PolarHBondContact O-CE1 3.3Å; E84-H509 IonicContact OE1-CE1 3.49Å; E84-H509 IonicContact OE1-ND1 3.61Å; E84-H509 PolarHBondContact OE1-ND1 2.87Å; S507-H509 PolarHBondContact OG-N 2.89Å
510	G	89.3	Confident	88.7	Confident	17 Å²	17	50 Å²	50	18%	0.175	32%	0.32	C	S	.	.			trans	68.3	174.1	-179	0	0	0	0	0	114.7	L508 A517	L508-G510 PolarHBondContact O-N 3.48Å; G510-A517 CarbonylContact C-O 3.59Å; G510-A517 WeakPolarHBondContact CA-O 3.21Å
511	R	89.6	Confident	88.8	Confident	79 Å²	79	49.8 Å²	49.8	30%	0.298	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	101.8	177	-54.5	-175.3	-55.5	113.1	14.8	107.2	E243 G513 A517 P518	E243-R511 IonicContact OE1-CZ 2.56Å; E243-R511 IonicContact OE1-NH1 3.77Å; E243-R511 PolarHBondContact OE1-NH1 3.38Å; E243-R511 IonicContact OE1-NH2 2.69Å; E243-R511 PolarHBondContact OE1-NH2 2.69Å; E243-R511 IonicContact OE2-NH1 2.65Å; E243-R511 PolarHBondContact OE2-NH1 3.05Å; R511-G513 PolarHBondContact O-N 2.79Å; R511-A517 PolarHBondContact N-O 3.1Å; R511-A517 PolarHBondContact O-N 2.97Å; R511-A517 VanDerWaalsContact O-N 3.13Å; R511-P518 PolarHBondContact NE-O 3.24Å
512	F	87.8	Confident	89.2	Confident	20 Å²	20	43.9 Å²	43.9	9%	0.088	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	105	-174.5	175.3	-115.6	0	0	0	111.5	V82 M83 I246 N247 P402 L403 L516	V82-F512 HydrophobicContact CB-CD1 3.94Å; V82-F512 HydrophobicContact CB-CE1 4.26Å; V82-F512 HydrophobicContact CG1-CD1 4.23Å; V82-F512 HydrophobicContact CG1-CE1 4.04Å; V82-F512 HydrophobicContact CG2-CD1 4.28Å; M83-F512 HydrophobicContact CE-CB 4.04Å; M83-F512 HydrophobicContact CE-CD2 4.48Å; M83-F512 HydrophobicContact CE-CG 4.25Å; M83-F512 HydrophobicContact CG-CD2 4.43Å; M83-F512 HydrophobicContact SD-CD2 4Å; M83-F512 HydrophobicContact SD-CG 4.32Å; I246-F512 HydrophobicContact CG2-CD1 4.25Å; I246-F512 HydrophobicContact CG2-CE1 4Å; N247-F512 PolarHBondContact ND2-O 3.16Å; N247-F512 PolarHBondContact OD1-O 3.48Å; N247-F512 VanDerWaalsContact OD1-O 3.09Å; P402-F512 HydrophobicContact CG-CD2 3.71Å; P402-F512 HydrophobicContact CG-CE2 3.49Å; P402-F512 VanDerWaalsContact CG-CE2 3.49Å; L403-F512 HydrophobicContact CD1-CE1 4.09Å; L403-F512 HydrophobicContact CD1-CZ 3.65Å; L403-F512 HydrophobicContact CG-CZ 4.08Å; F512-L516 HydrophobicContact CB-CD1 3.95Å
513	G	85.3	Confident	89.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	-98.1	-119.4	163.9	0	0	0	0	0	109.3	L242 I246 R511 T515	L242-G513 WeakPolarHBondContact O-CA 3.27Å; I246-G513 VanDerWaalsContact CD1-C 3.43Å; I246-G513 WeakPolarHBondContact CD1-O 3.43Å; R511-G513 PolarHBondContact O-N 2.79Å; G513-T515 PolarHBondContact N-O 3.23Å
514	L	88	Confident	90.6	Very high	42 Å²	42	38.7 Å²	38.7	22%	0.22	24%	0.237	C	C	.	.	S	Bend	trans	-77	-36	161.7	-174.1	65.6	0	0	0	111	F146 L242 I405	F146-L514 HydrophobicContact CZ-CD2 4.38Å; L242-L514 HydrophobicContact CB-CB 4.32Å; L242-L514 HydrophobicContact CD2-CB 3.97Å; L242-L514 HydrophobicContact CD2-CD2 3.82Å; L242-L514 PolarHBondContact O-N 3.18Å; I405-L514 HydrophobicContact CD1-CD1 3.86Å; I405-L514 HydrophobicContact CD1-CD2 3.96Å; I405-L514 HydrophobicContact CD1-CG 4.07Å
515	T	94.1	Very high	91.1	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.055	20%	0.202	C	C	.	.	S	Bend	trans	-103.8	160.5	173.9	52.1	0	0	0	0	110.4	L242 D339 T340 V400 V401 G513	L242-T515 HydrophobicContact CD1-CG2 4.47Å; D339-T515 VanDerWaalsContact OD2-CB 3.3Å; D339-T515 WeakPolarHBondContact OD2-CB 3.43Å; D339-T515 VanDerWaalsContact OD2-CG2 3.24Å; D339-T515 WeakPolarHBondContact OD2-CG2 3.37Å; D339-T515 PolarHBondContact OD2-OG1 3.4Å; T340-T515 HydrophobicContact CG2-CG2 3.92Å; V400-T515 CarbonylContact O-C 3.48Å; V400-T515 WeakPolarHBondContact O-CA 3.48Å; V400-T515 WeakPolarHBondContact O-CB 3.16Å; V401-T515 HydrophobicContact CG2-CG2 4.3Å; G513-T515 PolarHBondContact N-O 3.23Å
516	L	94	Very high	91.6	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	102.2	171	-171.1	66.8	0	0	0	109.6	M83 W347 T398 V400 P402 F512	M83-L516 HydrophobicContact CE-CD1 3.77Å; M83-L516 HydrophobicContact SD-CD1 4.1Å; M83-L516 HydrophobicContact SD-CD2 4.27Å; W347-L516 HydrophobicContact CZ2-CD2 4.2Å; W347-L516 HydrophobicContact CZ2-CG 4.05Å; W347-L516 PolarHBondContact NE1-O 3.39Å; T398-L516 WeakPolarHBondContact O-CD2 3.37Å; V400-L516 PolarHBondContact O-N 3.47Å; P402-L516 HydrophobicContact CG-CB 4.28Å; F512-L516 HydrophobicContact CB-CD1 3.95Å
517	A	94.1	Very high	91.9	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	149.1	173.3	0	0	0	0	0	110.8	N343 G510 R511	N343-A517 VanDerWaalsContact OD1-CB 3.23Å; N343-A517 WeakPolarHBondContact OD1-CB 3.43Å; G510-A517 CarbonylContact C-O 3.59Å; G510-A517 WeakPolarHBondContact CA-O 3.21Å; R511-A517 PolarHBondContact N-O 3.1Å; R511-A517 PolarHBondContact O-N 2.97Å; R511-A517 VanDerWaalsContact O-N 3.13Å
518	P	94.9	Very high	92.1	Very high	6 Å²	6	34 Å²	34	4%	0.039	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-63	155.4	166.5	25	-29.2	0	0	0	111.1	L346 W347 L350 R511 F521	L346-P518 HydrophobicContact CB-CG 3.68Å; L346-P518 HydrophobicContact CD1-CG 4.4Å; W347-P518 HydrophobicContact CD2-CB 4.02Å; W347-P518 HydrophobicContact CD2-CG 4.36Å; W347-P518 HydrophobicContact CE3-CB 4.07Å; W347-P518 HydrophobicContact CH2-CB 4.05Å; W347-P518 VanDerWaalsContact CZ2-CA 3.47Å; W347-P518 HydrophobicContact CZ2-CB 3.99Å; W347-P518 HydrophobicContact CZ3-CB 4.08Å; L350-P518 HydrophobicContact CD2-CB 4.09Å; R511-P518 PolarHBondContact NE-O 3.24Å; P518-F521 HydrophobicContact CB-CD1 4.26Å; P518-F521 HydrophobicContact CB-CE1 4.03Å; P518-F521 HydrophobicContact CG-CD1 4.49Å; P518-F521 HydrophobicContact CG-CE1 3.88Å
519	C	92.4	Very high	91.3	Very high	32 Å²	32	34.4 Å²	34.4	22%	0.216	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-64.9	148.3	164.1	-71.1	0	0	0	0	109.1	F521	C519-F521 WeakPolarHBondContact O-CD1 3.42Å; C519-F521 PolarHBondContact O-N 2.97Å
520	P	92.1	Very high	89.9	Confident	97 Å²	97	37.6 Å²	37.6	63%	0.63	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-51.1	131.7	177.3	-27	34.6	0	0	0	111.6
521	F	94.8	Very high	87.8	Confident	11 Å²	11	43.3 Å²	43.3	5%	0.048	25%	0.251	C	S	.	.			trans	-143.2	154.9	-178.6	67.8	-78.5	0	0	0	110	P203 L346 L350 P506 P518 C519 L523	P203-F521 HydrophobicContact CG-CE2 4.25Å; P203-F521 HydrophobicContact CG-CZ 4.13Å; L346-F521 HydrophobicContact CB-CE1 4.28Å; L346-F521 HydrophobicContact CB-CZ 4.36Å; L346-F521 HydrophobicContact CD2-CZ 4.38Å; L346-F521 WeakPolarHBondContact O-CZ 3.4Å; L350-F521 HydrophobicContact CB-CD2 4.43Å; L350-F521 HydrophobicContact CB-CE1 4.27Å; L350-F521 HydrophobicContact CB-CE2 3.9Å; L350-F521 HydrophobicContact CB-CZ 3.82Å; L350-F521 HydrophobicContact CD1-CD2 3.91Å; L350-F521 HydrophobicContact CD1-CE2 4.21Å; L350-F521 HydrophobicContact CD1-CG 4.15Å; L350-F521 HydrophobicContact CD2-CD1 4.41Å; P506-F521 HydrophobicContact CB-CB 4.01Å; P506-F521 HydrophobicContact CG-CB 3.77Å; P518-F521 HydrophobicContact CB-CD1 4.26Å; P518-F521 HydrophobicContact CB-CE1 4.03Å; P518-F521 HydrophobicContact CG-CD1 4.49Å; P518-F521 HydrophobicContact CG-CE1 3.88Å; C519-F521 WeakPolarHBondContact O-CD1 3.42Å; C519-F521 PolarHBondContact O-N 2.97Å; F521-L523 HydrophobicContact CD2-CD2 3.84Å; F521-L523 HydrophobicContact CD2-CG 3.89Å; F521-L523 HydrophobicContact CE2-CD1 3.81Å; F521-L523 HydrophobicContact CE2-CD2 3.79Å; F521-L523 HydrophobicContact CE2-CG 3.66Å
522	A	94.9	Very high	85.4	Confident	32 Å²	32	43 Å²	43	26%	0.264	26%	0.262	S	S	.	.			trans	-111.2	147.4	174.8	0	0	0	0	0	109.6	V201 P500	V201-A522 WeakPolarHBondContact O-CA 3.23Å; P500-A522 WeakPolarHBondContact CD-O 3.47Å; P500-A522 HydrophobicContact CG-CB 4.03Å
523	L	95.3	Very high	83.2	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-123	134.9	174.9	-63.9	178.9	0	0	0	110	G200 V201 P203 L349 A353 F497 R498 L499 F521 V525	G200-L523 CarbonylContact C-O 3.56Å; G200-L523 VanDerWaalsContact CA-O 3.23Å; G200-L523 WeakPolarHBondContact CA-O 3.44Å; V201-L523 PolarHBondContact N-O 3.41Å; V201-L523 PolarHBondContact O-N 3.16Å; P203-L523 HydrophobicContact CG-CD1 4.1Å; L349-L523 HydrophobicContact CB-CD1 4.1Å; A353-L523 HydrophobicContact CB-CD2 3.54Å; F497-L523 HydrophobicContact CB-CD1 4.35Å; F497-L523 HydrophobicContact CD1-CB 4.43Å; F497-L523 HydrophobicContact CD1-CD1 3.72Å; F497-L523 HydrophobicContact CE1-CD1 4.46Å; F497-L523 HydrophobicContact CG-CD1 4.32Å; R498-L523 CarbonylContact O-C 3.37Å; R498-L523 WeakPolarHBondContact O-CA 3.21Å; L499-L523 HydrophobicContact CD2-CD2 4.2Å; F521-L523 HydrophobicContact CD2-CD2 3.84Å; F521-L523 HydrophobicContact CD2-CG 3.89Å; F521-L523 HydrophobicContact CE2-CD1 3.81Å; F521-L523 HydrophobicContact CE2-CD2 3.79Å; F521-L523 HydrophobicContact CE2-CG 3.66Å; L523-V525 HydrophobicContact CB-CG2 4.38Å
524	C	95.2	Very high	80.8	Confident	27 Å²	27	54.1 Å²	54.1	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.5	160.6	-70.4	0	0	0	0	108.7	N193 R498	N193-C524 WeakPolarHBondContact OD1-CA 3.37Å; R498-C524 PolarHBondContact N-O 3.44Å; R498-C524 PolarHBondContact O-N 3.4Å
525	V	95.6	Very high	78.4	Confident	4 Å²	4	58 Å²	58	2%	0.024	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.8	-174.3	-169.9	0	0	0	0	109.8	L189 L190 N193 C495 F497 L523	L189-V525 HydrophobicContact CB-CG2 4.44Å; L190-V525 HydrophobicContact CD2-CG1 4Å; N193-V525 HydrophobicContact CB-CB 4.31Å; N193-V525 VanDerWaalsContact CG-O 3.31Å; N193-V525 PolarHBondContact ND2-O 2.91Å; N193-V525 PolarHBondContact OD1-N 3.42Å; C495-V525 HydrophobicContact CB-CG1 3.81Å; F497-V525 HydrophobicContact CD1-CG1 4.33Å; F497-V525 HydrophobicContact CD1-CG2 3.92Å; F497-V525 HydrophobicContact CE1-CG1 3.97Å; F497-V525 HydrophobicContact CE1-CG2 3.95Å; L523-V525 HydrophobicContact CB-CG2 4.38Å
526	S	94.4	Very high	75.5	Confident	62 Å²	62	65.7 Å²	65.7	43%	0.434	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.6	173.3	57.5	0	0	0	0	111	C495 T496	C495-S526 CarbonylContact C-O 3.52Å; C495-S526 WeakPolarHBondContact CA-O 3.32Å; T496-S526 PolarHBondContact N-O 2.98Å; T496-S526 PolarHBondContact O-N 3.11Å
527	A	94.4	Very high	72.8	Confident	67 Å²	67	69.8 Å²	69.8	55%	0.554	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.6	172.2	0	0	0	0	0	110.3	L190	L190-A527 HydrophobicContact CD1-CB 4.23Å; L190-A527 HydrophobicContact CD2-CB 4.07Å
528	R	92.5	Very high	70.1	Confident	38 Å²	38	78.1 Å²	78.1	14%	0.143	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-88.8	123.4	173.3	-60.2	175.6	76.1	-133.1	-9.1	108.5	D367 L492 Q493 A494 T496	D367-R528 IonicContact OD1-CZ 3.51Å; D367-R528 IonicContact OD1-NH1 3.58Å; D367-R528 PolarHBondContact OD1-NH1 2.66Å; D367-R528 IonicContact OD1-NH2 3.05Å; D367-R528 IonicContact OD2-CZ 3.73Å; D367-R528 IonicContact OD2-NH1 2.79Å; D367-R528 IonicContact OD2-NH2 3.12Å; D367-R528 PolarHBondContact OD2-NH2 3.38Å; L492-R528 WeakPolarHBondContact O-CD 3.36Å; L492-R528 PolarHBondContact O-NH1 3.28Å; Q493-R528 PolarHBondContact O-NH1 2.63Å; A494-R528 PolarHBondContact O-N 2.86Å; T496-R528 WeakPolarHBondContact OG1-CG 3.46Å
529	S	72.1	Confident	67.2	Low	76 Å²	76	87.1 Å²	87.1	53%	0.531	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-68.8	136.7	-172.7	50.1	0	0	0	0	113.7	R372 D531	R372-S529 PolarHBondContact NH1-O 3.18Å; S529-D531 PolarHBondContact O-N 2.79Å; S529-D531 VanDerWaalsContact O-N 3.11Å
530	E	58.4	Low	66	Low	159 Å²	159	89.9 Å²	89.9	74%	0.743	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-65	-16.5	-179.5	-68.8	-176.9	174.9	0	0	114	S532	E530-S532 PolarHBondContact O-N 3.28Å
531	D	43.7	Very low	64.6	Low	136 Å²	136	89.5 Å²	89.5	73%	0.727	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-88.9	5.7	-163.8	-65.2	-40.9	0	0	0	117.3	S529 F533	S529-D531 PolarHBondContact O-N 2.79Å; S529-D531 VanDerWaalsContact O-N 3.11Å; D531-F533 VanDerWaalsContact C-N 3.3Å; D531-F533 PolarHBondContact O-N 3.2Å
532	S	38.8	Very low	62.9	Low	74 Å²	74	93.8 Å²	93.8	52%	0.517	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-82.2	3	-175.2	40.5	0	0	0	0	115.7	E530	E530-S532 PolarHBondContact O-N 3.28Å
533	F	41.6	Very low	61	Low	159 Å²	159	97.5 Å²	97.5	70%	0.697	59%	0.59	S	S	*	*			trans	-110.8	66.2	167.9	-81.8	-87.1	0	0	0	110.7	D367 D531	D367-F533 HydrophobicContact CB-CE2 4.16Å; D531-F533 VanDerWaalsContact C-N 3.3Å; D531-F533 PolarHBondContact O-N 3.2Å
534	S	34.6	Very low	58.9	Low	94 Å²	94	103.5 Å²	103.5	66%	0.657	63%	0.626	S	S	*	*	S	Bend	trans	-127.5	117.3	160.1	59.2	0	0	0	0	109.6
535	C	37.9	Very low	56.5	Low	123 Å²	123	108.6 Å²	108.6	83%	0.831	66%	0.656	S	S	*	*	S	Bend	trans	39.6	94.3	161.5	-66.6	0	0	0	0	118.3
536	D	34.9	Very low	53.7	Low	171 Å²	171	116.1 Å²	116.1	91%	0.914	70%	0.701	S	S	*	*			trans	-157.9	57.9	145.4	-91.5	-24.9	0	0	0	109.9
537	A	35.9	Very low	50.5	Low	93 Å²	93	120.2 Å²	120.2	77%	0.769	72%	0.721	S	S	*	*	S	Bend	trans	-155.7	39	168.6	0	0	0	0	0	112.6
538	L	38.6	Very low	46.9	Very low	179 Å²	179	124.7 Å²	124.7	94%	0.937	74%	0.735	S	S	*	*			trans	-153.2	81.2	160.3	-79.3	-176.2	0	0	0	109.2
539	S	33.6	Very low	42.7	Very low	194 Å²	194	132.5 Å²	132.5	100%	1.357	79%	0.789	S	S	*	*			trans	-158	0	154	57.5	0	0	0	0	110

Retrieved 539 of 539 residues in 819.1 ms (Link to these results)

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