A0A087XRY6_POEFO Loading...

ERO1-like protein alpha

AlphaFold DB , UniProt , Accession A0A087XRY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 459 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.9	Very low	38.2	Very low	215 Å²	215	131 Å²	131	100%	1.059	67%	0.667	S	S	*	*				0	-11.9	0	-126.3	175.1	-68.3	0	0	112.8
2	E	38.9	Very low	37.5	Very low	168 Å²	168	131.3 Å²	131.3	79%	0.785	67%	0.67	S	S	*	*	H	α-helix	trans	-83.9	-25.5	176.2	-67.6	-177.9	143.9	0	0	114	V4 V5 F6	E2-V4 VanDerWaalsContact C-N 3.31Å; E2-V4 PolarHBondContact O-N 2.59Å; E2-V5 PolarHBondContact O-N 3.42Å; E2-F6 PolarHBondContact O-N 2.83Å
3	S	41.3	Very low	37.4	Very low	97 Å²	97	133.1 Å²	133.1	68%	0.678	67%	0.674	S	S	*	*	H	α-helix	trans	-74.4	-17.1	-179.5	-46.5	0	0	0	0	114.5
4	V	44.4	Very low	37.3	Very low	96 Å²	96	132.7 Å²	132.7	58%	0.582	68%	0.681	S	S	*	*	H	α-helix	trans	-84.9	-29.3	177.6	-177.1	0	0	0	0	111	E2 L7 L8	E2-V4 VanDerWaalsContact C-N 3.31Å; E2-V4 PolarHBondContact O-N 2.59Å; V4-L7 PolarHBondContact O-N 3.04Å; V4-L8 HydrophobicContact CG1-CD1 4.39Å; V4-L8 PolarHBondContact O-N 3.45Å
5	V	44.3	Very low	37.5	Very low	81 Å²	81	129.1 Å²	129.1	49%	0.491	67%	0.672	S	S	.	*	H	α-helix	trans	-72.3	-35.2	177	-179	0	0	0	0	111	E2 L8 F9	E2-V5 PolarHBondContact O-N 3.42Å; V5-L8 PolarHBondContact O-N 3.16Å; V5-F9 HydrophobicContact CG1-CD2 4.24Å; V5-F9 PolarHBondContact O-N 3.16Å
6	F	37	Very low	38	Very low	151 Å²	151	123.7 Å²	123.7	66%	0.662	66%	0.658	S	S	*	*	H	α-helix	trans	-67.7	-34.3	174.9	-112.3	-88.8	0	0	0	113.3	E2 F9 F10	E2-F6 PolarHBondContact O-N 2.83Å; F6-F9 PolarHBondContact O-N 3.1Å; F6-F10 PolarHBondContact O-N 3.25Å
7	L	36.4	Very low	38.8	Very low	114 Å²	114	118.8 Å²	118.8	60%	0.597	64%	0.636	S	S	*	*	H	α-helix	trans	-72.3	-32.5	175.3	-104	144.6	0	0	0	112.4	V4 L11	V4-L7 PolarHBondContact O-N 3.04Å; L7-L11 WeakPolarHBondContact O-CB 3.16Å; L7-L11 WeakPolarHBondContact O-CD1 3.1Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.45Å
8	L	34.9	Very low	39.3	Very low	103 Å²	103	112.9 Å²	112.9	54%	0.539	61%	0.607	S	S	.	*	H	α-helix	trans	-71.9	-35.7	172.2	-86.2	154.5	0	0	0	112.4	V4 V5 L11 L12	V4-L8 HydrophobicContact CG1-CD1 4.39Å; V4-L8 PolarHBondContact O-N 3.45Å; V5-L8 PolarHBondContact O-N 3.16Å; L8-L11 PolarHBondContact O-N 2.78Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.42Å; L8-L12 PolarHBondContact O-N 3.46Å
9	F	34.3	Very low	39.6	Very low	140 Å²	140	110.3 Å²	110.3	61%	0.614	59%	0.59	S	S	*	*	H	α-helix	trans	-71.1	-32.7	173.7	-100.7	-87.9	0	0	0	113.3	V5 F6 L12	V5-F9 HydrophobicContact CG1-CD2 4.24Å; V5-F9 PolarHBondContact O-N 3.16Å; F6-F9 PolarHBondContact O-N 3.1Å; F9-L12 PolarHBondContact O-N 3.15Å
10	F	32.4	Very low	39.2	Very low	141 Å²	141	105.5 Å²	105.5	62%	0.618	57%	0.567	S	S	*	*	H	α-helix	trans	-74.8	-29.7	173.5	-108.3	-87.6	0	0	0	113.4	F6 L12	F6-F10 PolarHBondContact O-N 3.25Å; F10-L12 VanDerWaalsContact C-N 3.3Å
11	L	30.8	Very low	39.5	Very low	135 Å²	135	102.5 Å²	102.5	71%	0.707	55%	0.548	S	S	*	.	H	α-helix	trans	-76.4	-16.8	172.8	-75.8	164.8	0	0	0	113.1	L7 L8	L7-L11 WeakPolarHBondContact O-CB 3.16Å; L7-L11 WeakPolarHBondContact O-CD1 3.1Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 2.78Å
12	L	30.7	Very low	39.1	Very low	134 Å²	134	92.2 Å²	92.2	70%	0.702	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.9	176.5	-81	161.6	0	0	0	114.3	L8 F9 F10	L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.42Å; L8-L12 PolarHBondContact O-N 3.46Å; F9-L12 PolarHBondContact O-N 3.15Å; F10-L12 VanDerWaalsContact C-N 3.3Å
13	Q	35.2	Very low	39.4	Very low	155 Å²	155	84.5 Å²	84.5	72%	0.724	46%	0.461	S	S	*	.	S	Bend	trans	-109.7	10.2	179.3	-78.6	-163.5	-42	0	0	115.6
14	V	36.6	Very low	39.5	Very low	128 Å²	128	84 Å²	84	78%	0.776	46%	0.457	S	S	*	.			trans	-113.9	45.6	174.2	-163.3	0	0	0	0	111.3
15	S	40.8	Very low	39.8	Very low	78 Å²	78	83.3 Å²	83.3	55%	0.545	45%	0.447	S	S	.	.	S	Bend	trans	-128	91.3	154.2	-153.8	0	0	0	0	106.1	R21	S15-R21 PolarHBondContact OG-NH1 3.45Å
16	G	44.4	Very low	40	Very low	43 Å²	43	79.5 Å²	79.5	44%	0.443	42%	0.424	S	S	.	.			trans	-54.6	149.1	176.9	0	0	0	0	0	110.2	R21	G16-R21 WeakPolarHBondContact O-CD 3.45Å; G16-R21 WeakPolarHBondContact O-CG 3.36Å
17	S	52.1	Low	40.3	Very low	41 Å²	41	75.3 Å²	75.3	29%	0.287	41%	0.411	S	S	.	.			trans	-50.4	147.2	174.1	64.2	0	0	0	0	110.5	H19 G20 R21 R459	S17-H19 CarbonylContact O-C 3.56Å; S17-H19 PolarHBondContact O-N 3.14Å; S17-G20 WeakPolarHBondContact O-CA 3.19Å; S17-G20 PolarHBondContact O-N 3Å; S17-G20 PolarHBondContact OG-N 3.38Å; S17-R21 PolarHBondContact O-N 2.96Å; S17-R459 PolarHBondContact OG-NH2 3.38Å
18	A	48.6	Very low	40.7	Very low	13 Å²	13	71.2 Å²	71.2	11%	0.107	40%	0.397	C	S	.	.	H	α-helix	trans	-52.5	-35.6	-178.8	0	0	0	0	0	112.6	G20 R21 C22 L455	A18-G20 PolarHBondContact O-N 3.48Å; A18-R21 PolarHBondContact O-N 3.07Å; A18-C22 PolarHBondContact O-N 3.42Å; A18-C22 PolarHBondContact O-SG 3.34Å; A18-C22 VanDerWaalsContact O-SG 3.34Å; A18-L455 HydrophobicContact CB-CD2 3.93Å
19	H	44.2	Very low	41.2	Very low	62 Å²	62	73.3 Å²	73.3	29%	0.287	40%	0.404	S	S	.	.	H	α-helix	trans	-52.1	-51.8	168	179	89.5	0	0	0	112.9	S17 R21 F23 R452 L455	S17-H19 CarbonylContact O-C 3.56Å; S17-H19 PolarHBondContact O-N 3.14Å; H19-R21 PolarHBondContact O-N 2.99Å; H19-F23 WeakPolarHBondContact O-CB 3.39Å; H19-F23 WeakPolarHBondContact O-CD2 3.31Å; H19-F23 PolarHBondContact O-N 2.72Å; H19-F23 VanDerWaalsContact O-N 3.09Å; H19-R452 PolarHBondContact ND1-O 3.14Å; H19-R452 VanDerWaalsContact ND1-O 3.12Å; H19-L455 HydrophobicContact CB-CB 4.31Å
20	G	32.2	Very low	42.1	Very low	14 Å²	14	67 Å²	67	14%	0.144	38%	0.377	C	S	.	.	H	α-helix	trans	-68.1	-31.9	178.6	0	0	0	0	0	113.7	S17 A18 C24	S17-G20 WeakPolarHBondContact O-CA 3.19Å; S17-G20 PolarHBondContact O-N 3Å; S17-G20 PolarHBondContact OG-N 3.38Å; A18-G20 PolarHBondContact O-N 3.48Å; G20-C24 WeakPolarHBondContact CA-SG 3.34Å; G20-C24 WeakPolarHBondContact O-CB 3.41Å; G20-C24 PolarHBondContact O-N 3.24Å; G20-C24 PolarHBondContact O-SG 3.29Å
21	R	45.8	Very low	42.9	Very low	43 Å²	43	65.9 Å²	65.9	16%	0.162	38%	0.377	C	S	.	.	H	α-helix	trans	-74.7	-36.3	178.1	-62.5	-167.3	-65.3	-144.7	-17.6	113.9	S15 G16 S17 A18 H19 D279 S280 D281	S15-R21 PolarHBondContact OG-NH1 3.45Å; G16-R21 WeakPolarHBondContact O-CD 3.45Å; G16-R21 WeakPolarHBondContact O-CG 3.36Å; S17-R21 PolarHBondContact O-N 2.96Å; A18-R21 PolarHBondContact O-N 3.07Å; H19-R21 PolarHBondContact O-N 2.99Å; R21-D279 IonicContact CZ-OD2 2.74Å; R21-D279 IonicContact NE-OD1 3.57Å; R21-D279 IonicContact NE-OD2 3.26Å; R21-D279 PolarHBondContact NE-OD2 2.89Å; R21-D279 VanDerWaalsContact NE-OD2 3.15Å; R21-D279 IonicContact NH2-OD2 3.77Å; R21-S280 WeakPolarHBondContact O-CB 3.46Å; R21-S280 PolarHBondContact O-N 2.71Å; R21-D281 WeakPolarHBondContact CD-OD2 3.43Å; R21-D281 IonicContact CZ-OD2 2.74Å; R21-D281 IonicContact NE-OD2 3.62Å; R21-D281 IonicContact NH1-OD2 2.82Å; R21-D281 PolarHBondContact NH1-OD2 3.38Å
22	C	35.8	Very low	43.8	Very low	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-74.7	-36.3	176.2	-66.5	0	0	0	0	111.9	A18 D279 L455	A18-C22 PolarHBondContact O-N 3.42Å; A18-C22 PolarHBondContact O-SG 3.34Å; A18-C22 VanDerWaalsContact O-SG 3.34Å; C22-D279 VanDerWaalsContact SG-CA 3.53Å; C22-L455 HydrophobicContact CB-CD1 4.4Å
23	F	45.9	Very low	44.9	Very low	5 Å²	5	56.5 Å²	56.5	2%	0.022	33%	0.329	C	S	.	.	H	α-helix	trans	-122.5	-16.2	-164.2	-61.1	-76.1	0	0	0	116.4	H19 Q25 V26 T27 F274 L291 L448 F451 R452 L455	H19-F23 WeakPolarHBondContact O-CB 3.39Å; H19-F23 WeakPolarHBondContact O-CD2 3.31Å; H19-F23 PolarHBondContact O-N 2.72Å; H19-F23 VanDerWaalsContact O-N 3.09Å; F23-Q25 PolarHBondContact O-N 3.06Å; F23-Q25 VanDerWaalsContact O-N 3.17Å; F23-V26 CarbonylContact O-C 3.26Å; F23-V26 WeakPolarHBondContact O-CA 3.38Å; F23-V26 PolarHBondContact O-N 3.11Å; F23-T27 WeakPolarHBondContact O-CG2 3.41Å; F23-F274 HydrophobicContact CE1-CZ 4.43Å; F23-F274 HydrophobicContact CE2-CE1 4.17Å; F23-F274 AromaticContact CZ-CE1 3.82Å; F23-F274 HydrophobicContact CZ-CE1 3.82Å; F23-F274 AromaticContact CZ-CZ 3.75Å; F23-F274 HydrophobicContact CZ-CZ 3.75Å; F23-L291 HydrophobicContact CD1-CD1 4.43Å; F23-L291 HydrophobicContact CE1-CD1 4.07Å; F23-L448 HydrophobicContact CE1-CB 4.38Å; F23-L448 HydrophobicContact CE1-CD2 4.32Å; F23-F451 HydrophobicContact CZ-CB 4.5Å; F23-R452 HydrophobicContact CD1-CG 3.83Å; F23-R452 HydrophobicContact CD2-CG 3.52Å; F23-R452 HydrophobicContact CE1-CG 3.72Å; F23-R452 HydrophobicContact CE2-CB 4.28Å; F23-R452 HydrophobicContact CE2-CG 3.4Å; F23-R452 VanDerWaalsContact CE2-CG 3.4Å; F23-R452 HydrophobicContact CG-CG 3.73Å; F23-R452 HydrophobicContact CZ-CG 3.5Å; F23-L455 HydrophobicContact CE2-CD1 3.8Å
24	C	42.6	Very low	45.7	Very low	87 Å²	87	53.3 Å²	53.3	59%	0.588	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.9	177.3	-70.2	0	0	0	0	113.4	G20 V26 T27	G20-C24 WeakPolarHBondContact CA-SG 3.34Å; G20-C24 WeakPolarHBondContact O-CB 3.41Å; G20-C24 PolarHBondContact O-N 3.24Å; G20-C24 PolarHBondContact O-SG 3.29Å; C24-V26 VanDerWaalsContact C-N 3.34Å; C24-T27 PolarHBondContact O-OG1 3.08Å
25	Q	50.4	Low	46.8	Very low	81 Å²	81	48 Å²	48	38%	0.379	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	0.5	170.2	-70.6	176.4	14	0	0	112.2	F23 S280 P288 R292	F23-Q25 PolarHBondContact O-N 3.06Å; F23-Q25 VanDerWaalsContact O-N 3.17Å; Q25-S280 PolarHBondContact NE2-OG 3.22Å; Q25-P288 HydrophobicContact CB-CB 3.53Å; Q25-P288 HydrophobicContact CB-CG 4.01Å; Q25-R292 PolarHBondContact O-NE 3.28Å; Q25-R292 PolarHBondContact O-NH2 3.25Å
26	V	48	Very low	48.3	Very low	1 Å²	1	47.1 Å²	47.1	1%	0.006	28%	0.278	C	S	.	.	S	Bend	trans	-122.7	41.1	-178.4	-160.6	0	0	0	0	109.6	F23 C24 V37 P288 L291 R292 Y295	F23-V26 CarbonylContact O-C 3.26Å; F23-V26 WeakPolarHBondContact O-CA 3.38Å; F23-V26 PolarHBondContact O-N 3.11Å; C24-V26 VanDerWaalsContact C-N 3.34Å; V26-V37 HydrophobicContact CG1-CG2 4.4Å; V26-V37 WeakPolarHBondContact O-CG1 3.48Å; V26-P288 HydrophobicContact CG2-CB 3.71Å; V26-L291 HydrophobicContact CG1-CB 4.12Å; V26-L291 HydrophobicContact CG2-CB 4.05Å; V26-L291 HydrophobicContact CG2-CD1 4.18Å; V26-R292 HydrophobicContact CG1-CG 4.47Å; V26-Y295 HydrophobicContact CG1-CD2 4.01Å; V26-Y295 HydrophobicContact CG1-CE2 3.69Å
27	T	43.1	Very low	50.1	Low	63 Å²	63	45.1 Å²	45.1	39%	0.387	26%	0.257	S	S	.	.	S	Bend	trans	-133.7	145.9	175.9	51.1	0	0	0	0	108.1	F23 C24 E38	F23-T27 WeakPolarHBondContact O-CG2 3.41Å; C24-T27 PolarHBondContact O-OG1 3.08Å; T27-E38 WeakPolarHBondContact CG2-OE1 2.88Å
28	G	45.5	Very low	51.6	Low	29 Å²	29	47 Å²	47	30%	0.299	26%	0.261	S	S	.	.	S	Bend	trans	92.9	-171.5	-176.9	0	0	0	0	0	114	D36	G28-D36 VanDerWaalsContact C-OD1 3.31Å; G28-D36 WeakPolarHBondContact CA-OD1 3.01Å; G28-D36 PolarHBondContact N-OD1 3.26Å
29	E	46.2	Very low	53.4	Low	147 Å²	147	49.4 Å²	49.4	69%	0.687	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	138.9	-179.7	-64.6	-176.4	173.2	0	0	111.8
30	L	53.7	Low	55.5	Low	7 Å²	7	46.5 Å²	46.5	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.1	169.1	-66.9	165.4	0	0	0	107.9	D32 C33 C35 V37 I40 R292 L299	L30-D32 PolarHBondContact O-N 2.55Å; L30-C33 HydrophobicContact CB-CB 3.93Å; L30-C33 HydrophobicContact CD1-CB 4.16Å; L30-C33 PolarHBondContact N-O 2.92Å; L30-C33 CarbonylContact O-C 3.36Å; L30-C33 PolarHBondContact O-N 3.16Å; L30-C35 PolarHBondContact N-O 2.89Å; L30-V37 HydrophobicContact CD2-CG2 4.49Å; L30-I40 HydrophobicContact CD1-CD1 4.18Å; L30-R292 HydrophobicContact CD2-CB 4.15Å; L30-R292 HydrophobicContact CD2-CG 4.2Å; L30-L299 HydrophobicContact CD1-CD1 3.64Å
31	D	47.5	Very low	58.3	Low	117 Å²	117	46.5 Å²	46.5	63%	0.626	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-14	-170.7	-52.1	-58.4	0	0	0	115.3	R292	D31-R292 IonicContact OD1-NH1 3.72Å; D31-R292 PolarHBondContact OD1-NH1 2.96Å; D31-R292 IonicContact OD2-CZ 3.8Å; D31-R292 IonicContact OD2-NH1 3.39Å; D31-R292 PolarHBondContact OD2-NH1 3.02Å
32	D	50.8	Low	60.5	Low	62 Å²	62	46.8 Å²	46.8	33%	0.332	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	8	173.4	-49.1	-54.9	0	0	0	113.8	L30 R235 R239	L30-D32 PolarHBondContact O-N 2.55Å; D32-R235 IonicContact OD1-CZ 3.83Å; D32-R235 IonicContact OD1-NH2 3.91Å; D32-R235 PolarHBondContact OD1-NH2 3.17Å; D32-R235 IonicContact OD2-CZ 3.87Å; D32-R235 IonicContact OD2-NE 3.55Å; D32-R235 PolarHBondContact OD2-NE 3.18Å; D32-R235 IonicContact OD2-NH2 2.88Å; D32-R235 PolarHBondContact OD2-NH2 3.06Å; D32-R239 IonicContact OD2-CZ 2.69Å; D32-R239 IonicContact OD2-NH1 3.54Å; D32-R239 PolarHBondContact OD2-NH1 3.44Å
33	C	52.8	Low	63.2	Low	10 Å²	10	47.3 Å²	47.3	7%	0.068	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.3	176	-51.4	0	0	0	0	109.7	L30 C35 L299	L30-C33 HydrophobicContact CB-CB 3.93Å; L30-C33 HydrophobicContact CD1-CB 4.16Å; L30-C33 PolarHBondContact N-O 2.92Å; L30-C33 CarbonylContact O-C 3.36Å; L30-C33 PolarHBondContact O-N 3.16Å; C33-C35 PolarHBondContact O-N 3.06Å; C33-L299 HydrophobicContact CB-CD1 3.88Å
34	T	52.3	Low	65.5	Low	89 Å²	89	47 Å²	47	55%	0.546	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	54.1	-179.2	56	0	0	0	0	112.1	H347	T34-H347 WeakPolarHBondContact OG1-CB 3.02Å; T34-H347 PolarHBondContact OG1-O 2.99Å
35	C	59.8	Low	68.1	Low	16 Å²	16	43.9 Å²	43.9	11%	0.108	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	133.7	-179.3	-164.1	0	0	0	0	110.6	L30 C33 I40	L30-C35 PolarHBondContact N-O 2.89Å; C33-C35 PolarHBondContact O-N 3.06Å; C35-I40 HydrophobicContact CB-CD1 4.44Å
36	D	72.4	Confident	70.2	Confident	59 Å²	59	45.6 Å²	45.6	32%	0.316	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.2	175	-166.6	29.1	0	0	0	110.6	G28 E38 T39 I40	G28-D36 VanDerWaalsContact C-OD1 3.31Å; G28-D36 WeakPolarHBondContact CA-OD1 3.01Å; G28-D36 PolarHBondContact N-OD1 3.26Å; D36-E38 PolarHBondContact O-N 3.23Å; D36-T39 WeakPolarHBondContact O-CB 3.45Å; D36-T39 PolarHBondContact O-N 2.95Å; D36-I40 PolarHBondContact O-N 3.2Å
37	V	81.6	Confident	72.4	Confident	2 Å²	2	49 Å²	49	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-36.1	-176.2	170.4	0	0	0	0	111.3	V26 L30 T39 I40 D41 Y295	V26-V37 HydrophobicContact CG1-CG2 4.4Å; V26-V37 WeakPolarHBondContact O-CG1 3.48Å; L30-V37 HydrophobicContact CD2-CG2 4.49Å; V37-T39 VanDerWaalsContact C-N 3.3Å; V37-T39 PolarHBondContact O-N 2.72Å; V37-I40 WeakPolarHBondContact O-CB 3.28Å; V37-I40 PolarHBondContact O-N 3.41Å; V37-D41 WeakPolarHBondContact O-CB 3.26Å; V37-D41 PolarHBondContact O-N 2.9Å; V37-Y295 HydrophobicContact CG1-CD1 4.42Å; V37-Y295 HydrophobicContact CG1-CD2 4.4Å; V37-Y295 HydrophobicContact CG1-CE1 3.78Å; V37-Y295 HydrophobicContact CG1-CE2 3.78Å; V37-Y295 VanDerWaalsContact CG1-CZ 3.42Å; V37-Y295 WeakPolarHBondContact CG1-OH 3.24Å; V37-Y295 HydrophobicContact CG2-CD2 4.47Å
38	E	84.3	Confident	74.9	Confident	79 Å²	79	46 Å²	46	37%	0.369	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-37	179.3	-72.7	76.3	176.4	0	0	111.9	T27 D36 D41 S42	T27-E38 WeakPolarHBondContact CG2-OE1 2.88Å; D36-E38 PolarHBondContact O-N 3.23Å; E38-D41 PolarHBondContact O-N 2.85Å; E38-S42 PolarHBondContact O-N 3.09Å
39	T	86.1	Confident	77.3	Confident	65 Å²	65	45.4 Å²	45.4	40%	0.399	24%	0.239	S	C	.	.	H	α-helix	trans	-68.2	-42	176.5	-60	0	0	0	0	110.5	D36 V37 F43 F344	D36-T39 WeakPolarHBondContact O-CB 3.45Å; D36-T39 PolarHBondContact O-N 2.95Å; V37-T39 VanDerWaalsContact C-N 3.3Å; V37-T39 PolarHBondContact O-N 2.72Å; T39-F43 VanDerWaalsContact O-CB 3.24Å; T39-F43 WeakPolarHBondContact O-CB 3.4Å; T39-F43 PolarHBondContact O-N 2.7Å; T39-F344 HydrophobicContact CG2-CE2 4.05Å; T39-F344 HydrophobicContact CG2-CZ 4.27Å
40	I	89.1	Confident	79.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-45.4	175.9	-58.3	170.9	0	0	0	110.2	L30 C35 D36 V37 F43 N44 Y295 Y298 L299 F344 I445	L30-I40 HydrophobicContact CD1-CD1 4.18Å; C35-I40 HydrophobicContact CB-CD1 4.44Å; D36-I40 PolarHBondContact O-N 3.2Å; V37-I40 WeakPolarHBondContact O-CB 3.28Å; V37-I40 PolarHBondContact O-N 3.41Å; I40-F43 PolarHBondContact O-N 3.16Å; I40-N44 WeakPolarHBondContact O-CB 3.35Å; I40-N44 PolarHBondContact O-N 3.11Å; I40-Y295 HydrophobicContact CB-CD1 4.24Å; I40-Y295 HydrophobicContact CB-CE1 4.4Å; I40-Y295 HydrophobicContact CD1-CD1 4.05Å; I40-Y295 HydrophobicContact CG2-CD1 3.86Å; I40-Y295 HydrophobicContact CG2-CE1 4.12Å; I40-Y298 HydrophobicContact CG2-CD1 3.59Å; I40-Y298 HydrophobicContact CG2-CE1 3.53Å; I40-L299 HydrophobicContact CD1-CD1 3.99Å; I40-L299 HydrophobicContact CD1-CD2 3.91Å; I40-L299 HydrophobicContact CD1-CG 4.05Å; I40-L299 HydrophobicContact CG1-CD2 4.22Å; I40-F344 HydrophobicContact CG1-CZ 4.15Å; I40-I445 HydrophobicContact CG2-CD1 4.02Å
41	D	90.9	Very high	81.7	Confident	15 Å²	15	45 Å²	45	8%	0.08	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-47.6	179.6	-75.3	-21	0	0	0	111.2	V37 E38 N45 Y295 I445 R452	V37-D41 WeakPolarHBondContact O-CB 3.26Å; V37-D41 PolarHBondContact O-N 2.9Å; E38-D41 PolarHBondContact O-N 2.85Å; D41-N45 WeakPolarHBondContact O-CB 3.47Å; D41-N45 PolarHBondContact O-N 3.01Å; D41-N45 PolarHBondContact O-ND2 3.29Å; D41-Y295 VanDerWaalsContact OD1-CE1 3.32Å; D41-Y295 WeakPolarHBondContact OD1-CE1 3.49Å; D41-Y295 PolarHBondContact OD1-OH 2.96Å; D41-Y295 PolarHBondContact OD2-OH 3.07Å; D41-I445 WeakPolarHBondContact OD1-CG2 3.48Å; D41-R452 IonicContact OD2-CZ 2.71Å; D41-R452 VanDerWaalsContact OD2-CZ 3.23Å; D41-R452 IonicContact OD2-NH1 3.66Å; D41-R452 PolarHBondContact OD2-NH1 3.15Å; D41-R452 IonicContact OD2-NH2 3.44Å; D41-R452 PolarHBondContact OD2-NH2 3.02Å; D41-R452 VanDerWaalsContact OD2-NH2 3.12Å
42	S	91.8	Very high	84.1	Confident	48 Å²	48	39.6 Å²	39.6	34%	0.336	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-53	176.5	166.6	0	0	0	0	111	E38 N44 N45 E46	E38-S42 PolarHBondContact O-N 3.09Å; S42-N44 PolarHBondContact O-N 3.43Å; S42-N45 PolarHBondContact O-N 2.98Å; S42-E46 VanDerWaalsContact O-CB 3.24Å; S42-E46 WeakPolarHBondContact O-CB 3.33Å; S42-E46 WeakPolarHBondContact O-CG 3.4Å; S42-E46 PolarHBondContact O-N 3.19Å; S42-E46 PolarHBondContact OG-OE2 2.83Å
43	F	92.3	Very high	86.2	Confident	11 Å²	11	39.5 Å²	39.5	5%	0.048	21%	0.21	C	C	.	.	I	π-helix	trans	-60.2	-47.4	-176.4	177.7	-104.6	0	0	0	112.3	T39 I40 Q47 I48 L302 L340 F344	T39-F43 VanDerWaalsContact O-CB 3.24Å; T39-F43 WeakPolarHBondContact O-CB 3.4Å; T39-F43 PolarHBondContact O-N 2.7Å; I40-F43 PolarHBondContact O-N 3.16Å; F43-Q47 HydrophobicContact CD2-CB 4.28Å; F43-Q47 HydrophobicContact CD2-CG 4.38Å; F43-Q47 HydrophobicContact CE2-CB 4.39Å; F43-Q47 WeakPolarHBondContact O-CA 3.23Å; F43-Q47 VanDerWaalsContact O-CB 3.32Å; F43-Q47 WeakPolarHBondContact O-CB 3.39Å; F43-Q47 PolarHBondContact O-N 3.12Å; F43-I48 HydrophobicContact CD1-CG1 3.91Å; F43-I48 HydrophobicContact CE1-CD1 3.82Å; F43-I48 HydrophobicContact CE1-CG1 3.33Å; F43-I48 HydrophobicContact CE2-CG1 4.42Å; F43-I48 HydrophobicContact CZ-CD1 3.71Å; F43-I48 HydrophobicContact CZ-CG1 3.63Å; F43-I48 PolarHBondContact O-N 3.29Å; F43-L302 HydrophobicContact CD1-CD2 4.49Å; F43-L302 HydrophobicContact CE1-CD1 4.13Å; F43-L302 HydrophobicContact CE1-CD2 3.99Å; F43-L340 HydrophobicContact CZ-CB 4.4Å; F43-L340 WeakPolarHBondContact CZ-O 3.41Å; F43-F344 HydrophobicContact CB-CD2 3.91Å; F43-F344 HydrophobicContact CB-CE2 3.65Å; F43-F344 AromaticContact CD1-CD2 3.32Å; F43-F344 HydrophobicContact CD1-CD2 3.32Å; F43-F344 AromaticContact CD1-CE2 3.67Å; F43-F344 HydrophobicContact CD1-CE2 3.67Å; F43-F344 HydrophobicContact CD1-CG 4.07Å; F43-F344 AromaticContact CD2-CD2 3.63Å; F43-F344 HydrophobicContact CD2-CD2 3.63Å; F43-F344 HydrophobicContact CD2-CE2 4.27Å; F43-F344 HydrophobicContact CE1-CB 3.94Å; F43-F344 AromaticContact CE1-CD2 3.62Å; F43-F344 HydrophobicContact CE1-CD2 3.62Å; F43-F344 HydrophobicContact CE1-CE2 4.38Å; F43-F344 AromaticContact CE1-CG 3.94Å; F43-F344 HydrophobicContact CE1-CG 3.94Å; F43-F344 HydrophobicContact CE2-CB 4.21Å; F43-F344 AromaticContact CE2-CD2 3.91Å; F43-F344 HydrophobicContact CE2-CD2 3.91Å; F43-F344 AromaticContact CG-CD2 3.32Å; F43-F344 HydrophobicContact CG-CD2 3.32Å; F43-F344 AromaticContact CG-CE2 3.6Å; F43-F344 HydrophobicContact CG-CE2 3.6Å; F43-F344 HydrophobicContact CG-CG 4.41Å; F43-F344 HydrophobicContact CZ-CB 3.77Å; F43-F344 AromaticContact CZ-CD2 3.91Å; F43-F344 HydrophobicContact CZ-CD2 3.91Å; F43-F344 HydrophobicContact CZ-CG 4.19Å
44	N	95.4	Very high	88.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-62.8	-53.4	177.9	179.5	70.1	0	0	0	111.2	I40 S42 E46 I48 F49 Y298 S442 I445	I40-N44 WeakPolarHBondContact O-CB 3.35Å; I40-N44 PolarHBondContact O-N 3.11Å; S42-N44 PolarHBondContact O-N 3.43Å; N44-E46 PolarHBondContact O-N 3.41Å; N44-I48 PolarHBondContact O-N 2.71Å; N44-F49 WeakPolarHBondContact O-CB 3.34Å; N44-F49 PolarHBondContact O-N 2.9Å; N44-Y298 HydrophobicContact CB-CE2 4.31Å; N44-Y298 WeakPolarHBondContact CB-OH 3.39Å; N44-Y298 WeakPolarHBondContact OD1-CE2 3.45Å; N44-Y298 PolarHBondContact OD1-OH 3.31Å; N44-S442 PolarHBondContact ND2-O 2.84Å; N44-S442 WeakPolarHBondContact OD1-CA 3.47Å; N44-S442 VanDerWaalsContact OD1-CB 3.29Å; N44-S442 WeakPolarHBondContact OD1-CB 3.3Å; N44-S442 PolarHBondContact OD1-OG 2.76Å; N44-I445 HydrophobicContact CB-CG2 4.03Å
45	N	95.7	Very high	90.3	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.107	20%	0.196	C	C	.	.	I	π-helix	trans	-74.8	-26.9	-168.1	-63.3	-34.5	0	0	0	113	D41 S42 R446	D41-N45 WeakPolarHBondContact O-CB 3.47Å; D41-N45 PolarHBondContact O-N 3.01Å; D41-N45 PolarHBondContact O-ND2 3.29Å; S42-N45 PolarHBondContact O-N 2.98Å; N45-R446 WeakPolarHBondContact OD1-CA 3.47Å; N45-R446 WeakPolarHBondContact OD1-CB 3.2Å; N45-R446 PolarHBondContact OD1-N 3.14Å
46	E	94.8	Very high	91.9	Very high	117 Å²	117	36.7 Å²	36.7	55%	0.547	19%	0.193	S	C	.	.	I	π-helix	trans	-103.8	-32.3	-174.3	-58.9	174.2	-179.4	0	0	112.8	S42 N44	S42-E46 VanDerWaalsContact O-CB 3.24Å; S42-E46 WeakPolarHBondContact O-CB 3.33Å; S42-E46 WeakPolarHBondContact O-CG 3.4Å; S42-E46 PolarHBondContact O-N 3.19Å; S42-E46 PolarHBondContact OG-OE2 2.83Å; N44-E46 PolarHBondContact O-N 3.41Å
47	Q	94.2	Very high	92.8	Very high	73 Å²	73	38.3 Å²	38.3	34%	0.341	20%	0.198	S	C	.	.	I	π-helix	trans	-108.1	-53.4	-173.9	-53.1	-172.4	42.8	0	0	112.9	F43 R51	F43-Q47 HydrophobicContact CD2-CB 4.28Å; F43-Q47 HydrophobicContact CD2-CG 4.38Å; F43-Q47 HydrophobicContact CE2-CB 4.39Å; F43-Q47 WeakPolarHBondContact O-CA 3.23Å; F43-Q47 VanDerWaalsContact O-CB 3.32Å; F43-Q47 WeakPolarHBondContact O-CB 3.39Å; F43-Q47 PolarHBondContact O-N 3.12Å; Q47-R51 WeakPolarHBondContact O-CD 3.49Å; Q47-R51 PolarHBondContact O-NH1 2.93Å
48	I	95.4	Very high	93.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-78.8	-56.4	-173.3	-66.2	-66.8	0	0	0	111.9	F43 N44 R51 L52 I337 L340 F438	F43-I48 HydrophobicContact CD1-CG1 3.91Å; F43-I48 HydrophobicContact CE1-CD1 3.82Å; F43-I48 HydrophobicContact CE1-CG1 3.33Å; F43-I48 HydrophobicContact CE2-CG1 4.42Å; F43-I48 HydrophobicContact CZ-CD1 3.71Å; F43-I48 HydrophobicContact CZ-CG1 3.63Å; F43-I48 PolarHBondContact O-N 3.29Å; N44-I48 PolarHBondContact O-N 2.71Å; I48-R51 PolarHBondContact O-N 3.34Å; I48-R51 VanDerWaalsContact O-N 3.09Å; I48-L52 HydrophobicContact CG2-CB 4.37Å; I48-L52 HydrophobicContact CG2-CD2 4.21Å; I48-L52 WeakPolarHBondContact O-CB 3.44Å; I48-L52 PolarHBondContact O-N 2.81Å; I48-I337 HydrophobicContact CD1-CG2 4.45Å; I48-L340 HydrophobicContact CD1-CB 3.74Å; I48-L340 HydrophobicContact CD1-CD1 4.42Å; I48-F438 HydrophobicContact CG2-CE1 3.71Å; I48-F438 HydrophobicContact CG2-CZ 4.14Å
49	F	96.2	Very high	92.9	Very high	16 Å²	16	36.3 Å²	36.3	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-55.2	-45.5	-170.5	-175.5	-76.3	0	0	0	113.4	N44 R51 L52 L53 T443 R446	N44-F49 WeakPolarHBondContact O-CB 3.34Å; N44-F49 PolarHBondContact O-N 2.9Å; F49-R51 PolarHBondContact O-N 3.44Å; F49-L52 PolarHBondContact O-N 3.21Å; F49-L53 HydrophobicContact CE1-CB 4.27Å; F49-L53 HydrophobicContact CE1-CD2 4.14Å; F49-L53 HydrophobicContact CZ-CD2 4.44Å; F49-L53 PolarHBondContact O-N 3.38Å; F49-L53 VanDerWaalsContact O-N 3.12Å; F49-T443 HydrophobicContact CE2-CG2 4.44Å; F49-R446 HydrophobicContact CD2-CB 4.18Å; F49-R446 HydrophobicContact CE2-CB 4.33Å; F49-R446 VanDerWaalsContact CZ-NH1 3.29Å
50	P	96.9	Very high	92.8	Very high	67 Å²	67	33.9 Å²	33.9	44%	0.435	17%	0.172	S	C	.	.	H	α-helix	trans	-64	-26.5	-179.2	-23.1	35.5	0	0	0	114.4	P54	P50-P54 WeakPolarHBondContact O-CD 3.11Å; P50-P54 WeakPolarHBondContact O-CG 3.29Å
51	R	96.2	Very high	92.8	Very high	79 Å²	79	33.9 Å²	33.9	30%	0.298	17%	0.172	S	C	.	.	H	α-helix	trans	-89.8	-35.7	178	-67.6	171.7	173.2	88.2	-2.9	112	Q47 I48 F49 P54 L333 E336 I337 L340	Q47-R51 WeakPolarHBondContact O-CD 3.49Å; Q47-R51 PolarHBondContact O-NH1 2.93Å; I48-R51 PolarHBondContact O-N 3.34Å; I48-R51 VanDerWaalsContact O-N 3.09Å; F49-R51 PolarHBondContact O-N 3.44Å; R51-P54 WeakPolarHBondContact O-CD 3.43Å; R51-L333 HydrophobicContact CB-CD1 4.12Å; R51-L333 HydrophobicContact CG-CD1 4.47Å; R51-E336 IonicContact CZ-OE1 3.17Å; R51-E336 IonicContact NE-OE1 3.95Å; R51-E336 PolarHBondContact NE-OE1 2.57Å; R51-E336 IonicContact NH2-OE1 3.81Å; R51-E336 PolarHBondContact NH2-OE1 3.12Å; R51-I337 HydrophobicContact CB-CD1 4.15Å; R51-I337 HydrophobicContact CB-CG1 3.79Å; R51-L340 VanDerWaalsContact CD-CD1 3.45Å
52	L	96.7	Very high	92.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-41	-179.6	-176	60.6	0	0	0	111.8	I48 F49 L55 L56 I337 L435 F438	I48-L52 HydrophobicContact CG2-CB 4.37Å; I48-L52 HydrophobicContact CG2-CD2 4.21Å; I48-L52 WeakPolarHBondContact O-CB 3.44Å; I48-L52 PolarHBondContact O-N 2.81Å; F49-L52 PolarHBondContact O-N 3.21Å; L52-L55 WeakPolarHBondContact O-CB 3.38Å; L52-L55 PolarHBondContact O-N 2.89Å; L52-L55 VanDerWaalsContact O-N 3.16Å; L52-L56 HydrophobicContact CD1-CD1 4.37Å; L52-L56 HydrophobicContact CD1-CD2 4.42Å; L52-L56 HydrophobicContact CD1-CG 4.23Å; L52-L56 HydrophobicContact CG-CD1 4.02Å; L52-L56 HydrophobicContact CG-CG 4.29Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.44Å; L52-I337 HydrophobicContact CD1-CD1 4.42Å; L52-L435 HydrophobicContact CD1-CD1 4.24Å; L52-F438 HydrophobicContact CD2-CD1 3.61Å; L52-F438 HydrophobicContact CD2-CE1 3.81Å
53	L	94.7	Very high	92.1	Very high	60 Å²	60	34 Å²	34	31%	0.314	17%	0.165	S	C	.	.	H	α-helix	trans	-59.8	-50.7	-176.9	179.4	67.3	0	0	0	113.1	F49 L55 L56 E57	F49-L53 HydrophobicContact CE1-CB 4.27Å; F49-L53 HydrophobicContact CE1-CD2 4.14Å; F49-L53 HydrophobicContact CZ-CD2 4.44Å; F49-L53 PolarHBondContact O-N 3.38Å; F49-L53 VanDerWaalsContact O-N 3.12Å; L53-L55 PolarHBondContact O-N 2.74Å; L53-L56 PolarHBondContact O-N 3.42Å; L53-L56 VanDerWaalsContact O-N 3.12Å; L53-E57 HydrophobicContact CD1-CG 4.42Å; L53-E57 WeakPolarHBondContact O-CG 3.4Å; L53-E57 PolarHBondContact O-N 3.29Å; L53-E57 VanDerWaalsContact O-N 3.07Å
54	P	95.9	Very high	91.7	Very high	50 Å²	50	33.6 Å²	33.6	33%	0.325	16%	0.163	S	C	.	.	H	α-helix	trans	-58	-34.5	174.4	-25.7	33.3	0	0	0	113.9	P50 R51 E57 S58 Y330 L333	P50-P54 WeakPolarHBondContact O-CD 3.11Å; P50-P54 WeakPolarHBondContact O-CG 3.29Å; R51-P54 WeakPolarHBondContact O-CD 3.43Å; P54-E57 PolarHBondContact O-N 2.99Å; P54-S58 PolarHBondContact O-N 3.39Å; P54-Y330 WeakPolarHBondContact O-CE1 3.41Å; P54-L333 HydrophobicContact CB-CD2 4.24Å
55	L	95.6	Very high	90.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-45.5	176.2	-175.1	70.8	0	0	0	110.9	L52 L53 E57 S58 F61 Y330 L333 L334 I337 L435	L52-L55 WeakPolarHBondContact O-CB 3.38Å; L52-L55 PolarHBondContact O-N 2.89Å; L52-L55 VanDerWaalsContact O-N 3.16Å; L53-L55 PolarHBondContact O-N 2.74Å; L55-E57 VanDerWaalsContact C-N 3.28Å; L55-E57 PolarHBondContact O-N 3.41Å; L55-S58 VanDerWaalsContact O-CB 3.23Å; L55-S58 WeakPolarHBondContact O-CB 3.2Å; L55-S58 PolarHBondContact O-N 3Å; L55-S58 PolarHBondContact O-OG 2.66Å; L55-F61 HydrophobicContact CD1-CD2 3.88Å; L55-F61 HydrophobicContact CD1-CE2 3.53Å; L55-F61 HydrophobicContact CD1-CZ 4.47Å; L55-F61 HydrophobicContact CD2-CD2 4.48Å; L55-F61 HydrophobicContact CD2-CE2 4.06Å; L55-F61 HydrophobicContact CD2-CZ 4.31Å; L55-F61 HydrophobicContact CG-CD2 3.75Å; L55-F61 HydrophobicContact CG-CE2 3.66Å; L55-F61 HydrophobicContact CG-CZ 4.39Å; L55-F61 WeakPolarHBondContact O-CB 3.4Å; L55-F61 VanDerWaalsContact O-CD2 3.32Å; L55-F61 WeakPolarHBondContact O-CD2 3.42Å; L55-Y330 HydrophobicContact CD1-CD1 4.02Å; L55-Y330 HydrophobicContact CD1-CG 4.45Å; L55-L333 HydrophobicContact CB-CD2 4.01Å; L55-L333 HydrophobicContact CD1-CD2 4.4Å; L55-L334 HydrophobicContact CD1-CB 4.24Å; L55-L334 HydrophobicContact CD2-CB 4.26Å; L55-L334 HydrophobicContact CD2-CD1 3.88Å; L55-I337 HydrophobicContact CB-CD1 4.14Å; L55-I337 HydrophobicContact CD2-CD1 3.73Å; L55-I337 HydrophobicContact CG-CD1 4.5Å; L55-L435 HydrophobicContact CD2-CD1 4.24Å; L55-L435 HydrophobicContact CD2-CG 4.45Å
56	L	94.4	Very high	90.3	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-69.1	-25	179.7	-61.6	178.4	0	0	0	113.3	L52 L53 S58 F61 L435	L52-L56 HydrophobicContact CD1-CD1 4.37Å; L52-L56 HydrophobicContact CD1-CD2 4.42Å; L52-L56 HydrophobicContact CD1-CG 4.23Å; L52-L56 HydrophobicContact CG-CD1 4.02Å; L52-L56 HydrophobicContact CG-CG 4.29Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.44Å; L53-L56 PolarHBondContact O-N 3.42Å; L53-L56 VanDerWaalsContact O-N 3.12Å; L56-S58 VanDerWaalsContact C-N 3.32Å; L56-F61 HydrophobicContact CD2-CB 4.44Å; L56-L435 HydrophobicContact CD2-CB 4.05Å; L56-L435 WeakPolarHBondContact CD2-O 3.49Å
57	E	91.3	Very high	89.7	Confident	94 Å²	94	29.5 Å²	29.5	44%	0.439	14%	0.143	S	C	.	.	H	α-helix	trans	-80.2	-13.2	175.1	-69.9	174.8	173.2	0	0	113.2	L53 P54 L55 L171	L53-E57 HydrophobicContact CD1-CG 4.42Å; L53-E57 WeakPolarHBondContact O-CG 3.4Å; L53-E57 PolarHBondContact O-N 3.29Å; L53-E57 VanDerWaalsContact O-N 3.07Å; P54-E57 PolarHBondContact O-N 2.99Å; L55-E57 VanDerWaalsContact C-N 3.28Å; L55-E57 PolarHBondContact O-N 3.41Å; E57-L171 HydrophobicContact CB-CD1 4.33Å; E57-L171 HydrophobicContact CG-CD1 4.35Å; E57-L171 HydrophobicContact CG-CD2 3.93Å
58	S	86.6	Confident	89	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.007	13%	0.133	C	C	.	.	S	Bend	trans	-64	158.4	178.3	75.4	0	0	0	0	112.9	P54 L55 L56 Y60 F61 R62 Y330	P54-S58 PolarHBondContact O-N 3.39Å; L55-S58 VanDerWaalsContact O-CB 3.23Å; L55-S58 WeakPolarHBondContact O-CB 3.2Å; L55-S58 PolarHBondContact O-N 3Å; L55-S58 PolarHBondContact O-OG 2.66Å; L56-S58 VanDerWaalsContact C-N 3.32Å; S58-Y60 PolarHBondContact O-N 3.38Å; S58-F61 PolarHBondContact O-N 3.5Å; S58-F61 WeakPolarHBondContact OG-CD2 3.34Å; S58-R62 WeakPolarHBondContact O-CB 3.48Å; S58-R62 WeakPolarHBondContact O-CG 3.33Å; S58-R62 PolarHBondContact O-N 3.19Å; S58-Y330 VanDerWaalsContact CB-CZ 3.45Å
59	H	80.9	Confident	88.3	Confident	38 Å²	38	32.2 Å²	32.2	18%	0.176	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-32	176.8	-70.1	95.6	0	0	0	113.4	F63 P97 I100 T321 R323 E326	H59-F63 VanDerWaalsContact O-CD2 3.29Å; H59-F63 WeakPolarHBondContact O-CD2 3.03Å; H59-P97 HydrophobicContact CB-CG 3.97Å; H59-I100 WeakPolarHBondContact O-CD1 3.34Å; H59-T321 HydrophobicContact CB-CG2 4.05Å; H59-R323 PolarHBondContact CE1-NH1 3.29Å; H59-E326 IonicContact CE1-OE1 3.21Å; H59-E326 PolarHBondContact CE1-OE1 3.12Å; H59-E326 IonicContact CE1-OE2 3.35Å; H59-E326 IonicContact CG-OE1 3.61Å; H59-E326 VanDerWaalsContact ND1-CD 3.26Å; H59-E326 IonicContact ND1-OE1 2.72Å; H59-E326 PolarHBondContact ND1-OE1 3.34Å; H59-E326 IonicContact ND1-OE2 2.66Å; H59-E326 PolarHBondContact ND1-OE2 3.12Å; H59-E326 VanDerWaalsContact ND1-OE2 3.11Å
60	Y	83.2	Confident	87.6	Confident	13 Å²	13	33 Å²	33	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-69.7	-40.8	-179.7	-168.6	-83.5	0	0	0	112.1	S58 L319 T321 R428 V431 V432	S58-Y60 PolarHBondContact O-N 3.38Å; Y60-L319 HydrophobicContact CD1-CD2 3.77Å; Y60-L319 HydrophobicContact CD2-CB 3.73Å; Y60-L319 HydrophobicContact CD2-CD2 4.04Å; Y60-L319 HydrophobicContact CD2-CG 4.48Å; Y60-L319 WeakPolarHBondContact CD2-O 3.3Å; Y60-L319 HydrophobicContact CE1-CD2 3.6Å; Y60-L319 VanDerWaalsContact CE2-CA 3.47Å; Y60-L319 HydrophobicContact CE2-CB 4.05Å; Y60-L319 HydrophobicContact CE2-CD2 3.87Å; Y60-L319 HydrophobicContact CG-CB 4.11Å; Y60-L319 HydrophobicContact CG-CD2 3.99Å; Y60-T321 HydrophobicContact CD2-CG2 4.03Å; Y60-T321 HydrophobicContact CG-CG2 4.42Å; Y60-R428 HydrophobicContact CE1-CG 4.35Å; Y60-R428 HydrophobicContact CE2-CG 4.44Å; Y60-R428 VanDerWaalsContact CE2-NH2 3.32Å; Y60-V431 HydrophobicContact CE1-CG1 3.94Å; Y60-V432 HydrophobicContact CD1-CG2 4.16Å; Y60-V432 HydrophobicContact CE1-CG2 4.01Å; Y60-V432 WeakPolarHBondContact O-CG2 3.48Å
61	F	89	Confident	87	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-99.4	-17.9	-169.9	-70.2	-78.2	0	0	0	114.8	L55 L56 S58 L319 V431 V432 L435 N436	L55-F61 HydrophobicContact CD1-CD2 3.88Å; L55-F61 HydrophobicContact CD1-CE2 3.53Å; L55-F61 HydrophobicContact CD1-CZ 4.47Å; L55-F61 HydrophobicContact CD2-CD2 4.48Å; L55-F61 HydrophobicContact CD2-CE2 4.06Å; L55-F61 HydrophobicContact CD2-CZ 4.31Å; L55-F61 HydrophobicContact CG-CD2 3.75Å; L55-F61 HydrophobicContact CG-CE2 3.66Å; L55-F61 HydrophobicContact CG-CZ 4.39Å; L55-F61 WeakPolarHBondContact O-CB 3.4Å; L55-F61 VanDerWaalsContact O-CD2 3.32Å; L55-F61 WeakPolarHBondContact O-CD2 3.42Å; L56-F61 HydrophobicContact CD2-CB 4.44Å; S58-F61 PolarHBondContact O-N 3.5Å; S58-F61 WeakPolarHBondContact OG-CD2 3.34Å; F61-L319 HydrophobicContact CE2-CD1 4.09Å; F61-L319 HydrophobicContact CE2-CD2 4.33Å; F61-L319 HydrophobicContact CZ-CD2 4.18Å; F61-V431 HydrophobicContact CE1-CG1 3.9Å; F61-V431 HydrophobicContact CZ-CG1 4.19Å; F61-V432 HydrophobicContact CD1-CG2 4.43Å; F61-L435 HydrophobicContact CD1-CB 3.88Å; F61-L435 HydrophobicContact CD1-CG 4.37Å; F61-L435 HydrophobicContact CE1-CB 3.67Å; F61-L435 HydrophobicContact CE1-CD2 4.12Å; F61-L435 HydrophobicContact CE1-CG 3.68Å; F61-L435 HydrophobicContact CZ-CG 4.16Å; F61-N436 PolarHBondContact O-ND2 3.43Å
62	R	85.5	Confident	86.5	Confident	57 Å²	57	32.5 Å²	32.5	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-76	-23.6	-179.2	74	-177.7	-72	-179.9	-1.6	114.7	S58 D169 L170 L171	S58-R62 WeakPolarHBondContact O-CB 3.48Å; S58-R62 WeakPolarHBondContact O-CG 3.33Å; S58-R62 PolarHBondContact O-N 3.19Å; R62-D169 IonicContact CZ-OD1 3.45Å; R62-D169 IonicContact CZ-OD2 3.48Å; R62-D169 IonicContact NE-OD1 3.22Å; R62-D169 PolarHBondContact NE-OD1 3.41Å; R62-D169 IonicContact NE-OD2 3.67Å; R62-D169 VanDerWaalsContact NH2-CG 3.35Å; R62-D169 IonicContact NH2-OD1 2.71Å; R62-D169 PolarHBondContact NH2-OD1 3.37Å; R62-D169 IonicContact NH2-OD2 3.81Å; R62-D169 PolarHBondContact NH2-OD2 2.63Å; R62-L170 WeakPolarHBondContact O-CB 3.47Å; R62-L170 WeakPolarHBondContact O-CG 3.46Å; R62-L170 PolarHBondContact O-N 3.28Å; R62-L171 HydrophobicContact CB-CD1 4.25Å; R62-L171 HydrophobicContact CB-CG 4.07Å
63	F	82.5	Confident	86	Confident	8 Å²	8	36.1 Å²	36.1	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.4	-176.6	-62.7	-67.6	0	0	0	110.8	H59 E95 V96 P97 I100 Y167 V168 D169	H59-F63 VanDerWaalsContact O-CD2 3.29Å; H59-F63 WeakPolarHBondContact O-CD2 3.03Å; F63-E95 VanDerWaalsContact CZ-O 3.3Å; F63-E95 WeakPolarHBondContact CZ-O 3.48Å; F63-V96 HydrophobicContact CD1-CG2 4.24Å; F63-V96 HydrophobicContact CE1-CG2 4.22Å; F63-P97 HydrophobicContact CE2-CG 4.03Å; F63-I100 HydrophobicContact CD2-CD1 3.92Å; F63-Y167 HydrophobicContact CB-CD1 4.13Å; F63-V168 WeakPolarHBondContact CA-O 3.47Å; F63-D169 HydrophobicContact CD1-CB 4.17Å; F63-D169 HydrophobicContact CE1-CB 4Å
64	Y	84.2	Confident	85.5	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.9	179.7	-175.2	-100.6	0	0	0	110.1	V66 V168 V393 Q396 Q429 V432	Y64-V66 HydrophobicContact CD1-CB 3.99Å; Y64-V66 HydrophobicContact CD1-CG1 4.34Å; Y64-V66 HydrophobicContact CE1-CB 3.92Å; Y64-V66 HydrophobicContact CE1-CG2 4.4Å; Y64-V168 PolarHBondContact N-O 2.92Å; Y64-V168 PolarHBondContact O-N 3.49Å; Y64-V393 HydrophobicContact CD1-CG2 3.61Å; Y64-V393 HydrophobicContact CD2-CG2 3.78Å; Y64-V393 HydrophobicContact CE1-CG2 3.52Å; Y64-V393 HydrophobicContact CE2-CB 4.42Å; Y64-V393 HydrophobicContact CE2-CG2 3.67Å; Y64-V393 HydrophobicContact CG-CG2 3.73Å; Y64-Q396 PolarHBondContact OH-OE1 3.13Å; Y64-Q429 HydrophobicContact CE2-CG 4.1Å; Y64-Q429 PolarHBondContact OH-NE2 3.07Å; Y64-V432 HydrophobicContact CD2-CG1 4.04Å
65	K	79.6	Confident	84.9	Confident	45 Å²	45	38.8 Å²	38.8	20%	0.196	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127	179.8	-168.5	175.5	-178.4	-177.7	0	109.7	E160 Q166 Y167 Q429	K65-E160 WeakPolarHBondContact CE-O 3.48Å; K65-E160 PolarHBondContact NZ-O 2.99Å; K65-Q166 WeakPolarHBondContact CA-O 3.35Å; K65-Y167 HydrophobicContact CB-CD1 4.08Å; K65-Y167 HydrophobicContact CB-CE1 3.79Å; K65-Y167 HydrophobicContact CD-CE2 4.39Å; K65-Y167 HydrophobicContact CG-CE1 4.4Å; K65-Q429 PolarHBondContact O-NE2 2.88Å
66	V	82.2	Confident	83.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.7	-177.4	59.6	0	0	0	0	111.4	Y64 L68 Q166 V168 V389 K392	Y64-V66 HydrophobicContact CD1-CB 3.99Å; Y64-V66 HydrophobicContact CD1-CG1 4.34Å; Y64-V66 HydrophobicContact CE1-CB 3.92Å; Y64-V66 HydrophobicContact CE1-CG2 4.4Å; V66-L68 HydrophobicContact CG1-CD2 4.14Å; V66-L68 HydrophobicContact CG1-CG 4.08Å; V66-L68 HydrophobicContact CG2-CD2 3.77Å; V66-L68 HydrophobicContact CG2-CG 4.33Å; V66-Q166 PolarHBondContact N-O 3.26Å; V66-Q166 PolarHBondContact O-N 3.44Å; V66-V168 HydrophobicContact CG1-CB 4.32Å; V66-V168 HydrophobicContact CG1-CG2 3.54Å; V66-V389 HydrophobicContact CG1-CG2 4.3Å; V66-K392 HydrophobicContact CG2-CD 3.64Å
67	N	82.8	Confident	82.4	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	25%	0.248	C	C	.	.			trans	-98.8	107.2	169	-172.1	-19.4	0	0	0	109.6	N69 K70 D159 S162	N67-N69 PolarHBondContact OD1-N 3.21Å; N67-K70 HydrophobicContact CB-CD 4.29Å; N67-K70 HydrophobicContact CB-CG 4.14Å; N67-K70 PolarHBondContact OD1-N 3.19Å; N67-D159 HydrophobicContact CB-CB 4.28Å; N67-D159 WeakPolarHBondContact CB-OD1 3.34Å; N67-D159 PolarHBondContact N-OD2 2.94Å; N67-S162 PolarHBondContact ND2-OG 2.68Å
68	L	79.6	Confident	80.8	Confident	25 Å²	25	48 Å²	48	13%	0.131	26%	0.258	C	S	.	.			trans	-89.2	-11	178.7	-61.6	178	0	0	0	113.4	V66 V88 F385 R388 V389	V66-L68 HydrophobicContact CG1-CD2 4.14Å; V66-L68 HydrophobicContact CG1-CG 4.08Å; V66-L68 HydrophobicContact CG2-CD2 3.77Å; V66-L68 HydrophobicContact CG2-CG 4.33Å; L68-V88 HydrophobicContact CD1-CB 3.96Å; L68-V88 HydrophobicContact CD1-CG1 3.98Å; L68-V88 HydrophobicContact CD1-CG2 4.09Å; L68-F385 HydrophobicContact CB-CD1 4.02Å; L68-F385 HydrophobicContact CB-CE1 4.35Å; L68-F385 HydrophobicContact CD1-CB 4.49Å; L68-R388 HydrophobicContact CD2-CB 4.5Å; L68-R388 HydrophobicContact CD2-CG 4.14Å; L68-R388 PolarHBondContact O-NH1 2.98Å; L68-V389 HydrophobicContact CD1-CG2 4.09Å; L68-V389 HydrophobicContact CD2-CG2 3.69Å; L68-V389 HydrophobicContact CG-CG2 4.47Å
69	N	80.2	Confident	79.3	Confident	105 Å²	105	51.8 Å²	51.8	56%	0.561	28%	0.284	S	S	*	.			trans	-90.4	-0.6	-176.6	-63.4	-32.8	0	0	0	113.1	N67	N67-N69 PolarHBondContact OD1-N 3.21Å
70	K	81	Confident	78.1	Confident	34 Å²	34	53.3 Å²	53.3	15%	0.148	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-61.7	130.1	177.7	-76	-173	174.3	174.2	0	111.3	N67 D158 D159 D380 R388	N67-K70 HydrophobicContact CB-CD 4.29Å; N67-K70 HydrophobicContact CB-CG 4.14Å; N67-K70 PolarHBondContact OD1-N 3.19Å; K70-D158 PolarHBondContact NZ-O 2.88Å; K70-D159 WeakPolarHBondContact CD-OD1 3.41Å; K70-D159 WeakPolarHBondContact CE-OD1 3.24Å; K70-D159 IonicContact NZ-OD1 3.39Å; K70-D159 PolarHBondContact NZ-OD1 3.45Å; K70-D380 HydrophobicContact CB-CB 4.28Å; K70-R388 PolarHBondContact O-NH1 3.49Å; K70-R388 VanDerWaalsContact O-NH1 3.12Å
71	P	84.1	Confident	76.5	Confident	112 Å²	112	58.8 Å²	58.8	73%	0.727	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-70.4	150.1	171.4	31	-33.8	0	0	0	109.8	P73	P71-P73 WeakPolarHBondContact O-CD 3.4Å
72	C	85.8	Confident	74.6	Confident	22 Å²	22	62 Å²	62	15%	0.149	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-62.7	125.6	171.1	176.1	0	0	0	0	109.7	F74 W75 A77 C381	C72-F74 VanDerWaalsContact C-N 3.29Å; C72-F74 PolarHBondContact O-N 2.81Å; C72-W75 VanDerWaalsContact CB-O 3.28Å; C72-W75 WeakPolarHBondContact CB-O 3.49Å; C72-W75 PolarHBondContact SG-N 3.46Å; C72-W75 VanDerWaalsContact SG-N 3.39Å; C72-W75 PolarHBondContact SG-O 2.76Å; C72-A77 HydrophobicContact CB-CB 3.82Å; C72-C381 VanDerWaalsContact CA-SG 3.59Å; C72-C381 HydrophobicContact CB-CB 3.75Å; C72-C381 WeakPolarHBondContact CB-SG 3.32Å; C72-C381 WeakPolarHBondContact SG-CB 3.4Å; C72-C381 CovalentContact SG-SG 2.03Å; C72-C381 PolarHBondContact SG-SG 3.45Å
73	P	86.2	Confident	73.5	Confident	79 Å²	79	62.2 Å²	62.2	51%	0.513	37%	0.368	S	S	.	.	S	Bend	trans	-78.4	-12	-179.5	29.8	-34.2	0	0	0	113.6	P71 R377	P71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-R377 HydrophobicContact CG-CB 4.19Å
74	F	84.6	Confident	72.5	Confident	102 Å²	102	73 Å²	73	45%	0.447	41%	0.408	S	S	.	.	S	Bend	trans	-105.2	-34.4	-170	-58.7	-63.7	0	0	0	114.2	C72 R377 I378	C72-F74 VanDerWaalsContact C-N 3.29Å; C72-F74 PolarHBondContact O-N 2.81Å; F74-R377 HydrophobicContact CE2-CB 3.89Å; F74-R377 HydrophobicContact CZ-CB 4.01Å; F74-I378 HydrophobicContact CD2-CG1 4.25Å; F74-I378 HydrophobicContact CE2-CB 4.4Å; F74-I378 HydrophobicContact CE2-CG1 3.63Å; F74-I378 HydrophobicContact CZ-CG1 4.33Å
75	W	83.7	Confident	71.8	Confident	65 Å²	65	73.8 Å²	73.8	25%	0.246	41%	0.413	C	S	.	.	S	Bend	trans	-151.7	164	179.7	54.5	87	0	0	0	111.2	C72 A77 Q187 I188 C381	C72-W75 VanDerWaalsContact CB-O 3.28Å; C72-W75 WeakPolarHBondContact CB-O 3.49Å; C72-W75 PolarHBondContact SG-N 3.46Å; C72-W75 VanDerWaalsContact SG-N 3.39Å; C72-W75 PolarHBondContact SG-O 2.76Å; W75-A77 PolarHBondContact O-N 3.29Å; W75-Q187 HydrophobicContact CH2-CG 4.27Å; W75-Q187 HydrophobicContact CZ2-CG 4.17Å; W75-I188 HydrophobicContact CH2-CD1 4.25Å; W75-I188 HydrophobicContact CZ2-CD1 3.68Å; W75-C381 HydrophobicContact CH2-CB 4.16Å; W75-C381 HydrophobicContact CZ2-CB 3.47Å; W75-C381 VanDerWaalsContact CZ2-CB 3.47Å
76	T	75.6	Confident	71.3	Confident	137 Å²	137	71.8 Å²	71.8	84%	0.84	41%	0.405	S	S	*	.			trans	-69.4	96.1	169.2	50.5	0	0	0	0	108.3
77	A	61.1	Low	70.7	Confident	33 Å²	33	74.5 Å²	74.5	27%	0.273	43%	0.428	S	S	.	.			trans	-83.5	116.4	173.3	0	0	0	0	0	108.7	C72 W75 S79	C72-A77 HydrophobicContact CB-CB 3.82Å; W75-A77 PolarHBondContact O-N 3.29Å; A77-S79 PolarHBondContact O-N 3.12Å
78	D	58.3	Low	69.9	Low	123 Å²	123	75.5 Å²	75.5	66%	0.658	43%	0.433	S	S	*	.			trans	-66.9	115.4	168.4	-73.7	-28.9	0	0	0	107.9	H80	D78-H80 PolarHBondContact O-N 3.08Å
79	S	55.2	Low	69.3	Low	80 Å²	80	79.9 Å²	79.9	56%	0.559	45%	0.452	S	S	*	.			trans	-64.4	109.7	173.4	-68	0	0	0	0	107.8	A77 C81	A77-S79 PolarHBondContact O-N 3.12Å; S79-C81 PolarHBondContact O-N 3.19Å
80	H	54.7	Low	68.7	Low	71 Å²	71	77.9 Å²	77.9	33%	0.329	44%	0.444	S	S	.	.			trans	-67.1	70.6	174.3	-78.9	-15.8	0	0	0	111.2	D78 G82 E184	D78-H80 PolarHBondContact O-N 3.08Å; H80-G82 PolarHBondContact O-N 2.81Å; H80-E184 IonicContact CD2-OE2 2.98Å; H80-E184 PolarHBondContact CD2-OE2 2.86Å; H80-E184 IonicContact CE1-OE1 3.12Å; H80-E184 PolarHBondContact CE1-OE1 3.42Å; H80-E184 IonicContact CE1-OE2 2.73Å; H80-E184 PolarHBondContact CE1-OE2 3.45Å; H80-E184 IonicContact CG-OE2 2.76Å; H80-E184 IonicContact ND1-OE1 2.76Å; H80-E184 IonicContact ND1-OE2 3.49Å; H80-E184 IonicContact NE2-OE1 2.65Å; H80-E184 PolarHBondContact NE2-OE1 3.29Å; H80-E184 VanDerWaalsContact NE2-OE1 3.14Å; H80-E184 IonicContact NE2-OE2 3.23Å; H80-E184 PolarHBondContact NE2-OE2 3.11Å
81	C	50.1	Low	67.4	Low	128 Å²	128	77.4 Å²	77.4	87%	0.865	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	36.3	176.8	-159.4	0	0	0	0	112.1	S79	S79-C81 PolarHBondContact O-N 3.19Å
82	G	50	Low	66.4	Low	66 Å²	66	74.4 Å²	74.4	68%	0.68	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	-17.7	-173.4	0	0	0	0	0	115.4	H80 R84	H80-G82 PolarHBondContact O-N 2.81Å; G82-R84 PolarHBondContact O-N 2.78Å
83	L	61.7	Low	65.2	Low	63 Å²	63	78.3 Å²	78.3	33%	0.33	45%	0.451	S	S	.	.			trans	-84.8	103.7	176.5	-69.3	175.6	0	0	0	110.1	D85 C86	L83-D85 PolarHBondContact O-N 3.38Å; L83-D85 VanDerWaalsContact O-N 3.14Å; L83-C86 HydrophobicContact CB-CB 3.86Å; L83-C86 WeakPolarHBondContact O-CB 3.47Å; L83-C86 PolarHBondContact O-N 2.75Å
84	R	61.3	Low	63.9	Low	233 Å²	233	81.1 Å²	81.1	88%	0.879	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-53.4	-35.5	-178.4	-75.7	-177.3	167.2	-171.5	-3.8	113.4	G82 C86	G82-R84 PolarHBondContact O-N 2.78Å; R84-C86 VanDerWaalsContact C-N 3.35Å
85	D	70.1	Confident	62.6	Low	21 Å²	21	80.7 Å²	80.7	11%	0.112	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-84.1	-6.9	-178.8	-69.3	-54.9	0	0	0	114.6	L83 R176 R265 K386	L83-D85 PolarHBondContact O-N 3.38Å; L83-D85 VanDerWaalsContact O-N 3.14Å; D85-R176 IonicContact OD1-NH2 3.3Å; D85-R265 IonicContact OD1-CZ 2.62Å; D85-R265 IonicContact OD1-NH1 2.99Å; D85-R265 PolarHBondContact OD1-NH1 3.48Å; D85-R265 IonicContact OD1-NH2 2.66Å; D85-R265 PolarHBondContact OD1-NH2 3.42Å; D85-R265 IonicContact OD2-CZ 3.13Å; D85-R265 IonicContact OD2-NH1 4Å; D85-R265 IonicContact OD2-NH2 2.68Å; D85-R265 PolarHBondContact OD2-NH2 3.47Å; D85-K386 VanDerWaalsContact O-CD 3.3Å; D85-K386 WeakPolarHBondContact O-CD 3.49Å; D85-K386 VanDerWaalsContact O-CE 3.3Å; D85-K386 WeakPolarHBondContact O-CE 3.37Å; D85-K386 PolarHBondContact O-NZ 3.09Å
86	C	69.4	Low	61.5	Low	3 Å²	3	77.9 Å²	77.9	2%	0.02	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-86.2	-14.8	175.2	-81.3	0	0	0	0	114.1	L83 R84 C384 F385 K386	L83-C86 HydrophobicContact CB-CB 3.86Å; L83-C86 WeakPolarHBondContact O-CB 3.47Å; L83-C86 PolarHBondContact O-N 2.75Å; R84-C86 VanDerWaalsContact C-N 3.35Å; C86-C384 VanDerWaalsContact CA-SG 3.56Å; C86-C384 HydrophobicContact CB-CB 3.94Å; C86-C384 WeakPolarHBondContact CB-SG 3.34Å; C86-C384 WeakPolarHBondContact SG-CB 3.11Å; C86-C384 CovalentContact SG-SG 2.04Å; C86-C384 PolarHBondContact SG-SG 3.48Å; C86-F385 WeakPolarHBondContact O-CB 3.5Å; C86-F385 PolarHBondContact O-N 3.25Å; C86-K386 PolarHBondContact O-N 3.2Å; C86-K386 VanDerWaalsContact O-N 3.07Å
87	A	69.9	Low	61.1	Low	59 Å²	59	72 Å²	72	49%	0.488	42%	0.416	S	S	.	.			trans	-68.9	131.4	-177.7	0	0	0	0	0	112.1	K386	A87-K386 WeakPolarHBondContact O-CE 3.38Å
88	V	65.9	Low	61	Low	24 Å²	24	77.3 Å²	77.3	15%	0.145	44%	0.435	C	S	.	.			trans	-93.1	135.4	175.4	173.3	0	0	0	0	109	L68 P90 V168 N173 F385 K386 V389	L68-V88 HydrophobicContact CD1-CB 3.96Å; L68-V88 HydrophobicContact CD1-CG1 3.98Å; L68-V88 HydrophobicContact CD1-CG2 4.09Å; V88-P90 VanDerWaalsContact O-CD 3.28Å; V88-P90 WeakPolarHBondContact O-CD 3.49Å; V88-V168 HydrophobicContact CG1-CB 4.43Å; V88-V168 HydrophobicContact CG1-CG1 3.61Å; V88-V168 HydrophobicContact CG1-CG2 3.87Å; V88-N173 WeakPolarHBondContact CA-OD1 3.38Å; V88-F385 HydrophobicContact CB-CB 4.3Å; V88-F385 VanDerWaalsContact CG2-C 3.5Å; V88-F385 HydrophobicContact CG2-CB 3.59Å; V88-K386 HydrophobicContact CG2-CB 4.44Å; V88-K386 HydrophobicContact CG2-CG 3.79Å; V88-V389 HydrophobicContact CG1-CG2 4.43Å; V88-V389 HydrophobicContact CG2-CG2 3.84Å
89	K	66.3	Low	60.9	Low	118 Å²	118	71.8 Å²	71.8	51%	0.513	41%	0.407	S	S	.	.			trans	-88.6	109	170	-173.4	-178.5	174.3	-167.1	0	108.5	L172 N173	K89-L172 HydrophobicContact CD-CD1 4.38Å; K89-N173 PolarHBondContact N-OD1 3.27Å; K89-N173 PolarHBondContact O-ND2 3.05Å
90	P	66.7	Low	61	Low	63 Å²	63	68.2 Å²	68.2	41%	0.409	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-68.9	152.9	174.6	30	-34.4	0	0	0	110.5	V88 Q166	V88-P90 VanDerWaalsContact O-CD 3.28Å; V88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-Q166 VanDerWaalsContact CB-OE1 3.23Å
91	C	55.1	Low	61	Low	24 Å²	24	69.5 Å²	69.5	16%	0.162	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-71.1	140.4	174.3	-63.5	0	0	0	0	110.9	V96 Y167 D169	C91-V96 HydrophobicContact CB-CG2 3.71Å; C91-Y167 WeakPolarHBondContact CB-O 3.37Å; C91-Y167 PolarHBondContact N-O 3.12Å; C91-Y167 PolarHBondContact SG-O 2.87Å; C91-Y167 VanDerWaalsContact SG-O 3.38Å; C91-D169 PolarHBondContact SG-N 2.97Å
92	S	63.5	Low	60.7	Low	49 Å²	49	66.7 Å²	66.7	34%	0.343	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-69.9	151	162.2	67.1	0	0	0	0	110.1	N94 E95	S92-N94 PolarHBondContact O-N 2.9Å; S92-E95 WeakPolarHBondContact CB-OE2 3.43Å; S92-E95 PolarHBondContact N-OE2 3.26Å; S92-E95 PolarHBondContact O-N 3.25Å; S92-E95 VanDerWaalsContact O-N 3.09Å; S92-E95 WeakPolarHBondContact OG-CG 3.47Å; S92-E95 PolarHBondContact OG-OE2 3.09Å
93	P	60.2	Low	60.3	Low	103 Å²	103	66.9 Å²	66.9	67%	0.669	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-14.8	179.1	-26.7	34.9	0	0	0	114.8	R101	P93-R101 WeakPolarHBondContact O-CD 3.13Å; P93-R101 PolarHBondContact O-NH1 3.28Å
94	N	57.9	Low	59.2	Low	138 Å²	138	69.9 Å²	69.9	74%	0.738	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-13.4	179.7	-67.4	-25.1	0	0	0	113.9	S92 R101	S92-N94 PolarHBondContact O-N 2.9Å; N94-R101 PolarHBondContact OD1-NH1 2.96Å
95	E	58.4	Low	58	Low	93 Å²	93	66 Å²	66	44%	0.435	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.7	178.7	-75.8	164	150.7	0	0	112.5	F63 S92	F63-E95 VanDerWaalsContact CZ-O 3.3Å; F63-E95 WeakPolarHBondContact CZ-O 3.48Å; S92-E95 WeakPolarHBondContact CB-OE2 3.43Å; S92-E95 PolarHBondContact N-OE2 3.26Å; S92-E95 PolarHBondContact O-N 3.25Å; S92-E95 VanDerWaalsContact O-N 3.09Å; S92-E95 WeakPolarHBondContact OG-CG 3.47Å; S92-E95 PolarHBondContact OG-OE2 3.09Å
96	V	60.3	Low	56.4	Low	6 Å²	6	72.6 Å²	72.6	4%	0.036	41%	0.411	C	S	.	.	S	Bend	trans	-88.1	127.7	178.2	-176.2	0	0	0	0	109.2	F63 C91 I100 R101 Y167	F63-V96 HydrophobicContact CD1-CG2 4.24Å; F63-V96 HydrophobicContact CE1-CG2 4.22Å; C91-V96 HydrophobicContact CB-CG2 3.71Å; V96-I100 HydrophobicContact CG1-CB 3.69Å; V96-I100 HydrophobicContact CG1-CG2 3.64Å; V96-R101 HydrophobicContact CB-CG 3.66Å; V96-R101 HydrophobicContact CG1-CG 3.65Å; V96-R101 WeakPolarHBondContact O-CD 3.37Å; V96-R101 VanDerWaalsContact O-CG 3.28Å; V96-R101 WeakPolarHBondContact O-CG 3.28Å; V96-R101 PolarHBondContact O-NE 3.06Å; V96-Y167 HydrophobicContact CG1-CD2 4.42Å; V96-Y167 HydrophobicContact CG1-CG 4.42Å; V96-Y167 HydrophobicContact CG2-CG 4.34Å
97	P	65.9	Low	54.8	Low	15 Å²	15	81.2 Å²	81.2	10%	0.097	45%	0.448	C	S	.	.			trans	-57.7	147.8	177.8	-24.8	30.9	0	0	0	113.3	H59 F63 G99 I100 R101 T321	H59-P97 HydrophobicContact CB-CG 3.97Å; F63-P97 HydrophobicContact CE2-CG 4.03Å; P97-G99 VanDerWaalsContact C-N 3.32Å; P97-G99 PolarHBondContact O-N 2.92Å; P97-I100 HydrophobicContact CB-CD1 4.3Å; P97-I100 HydrophobicContact CB-CG1 4.13Å; P97-I100 HydrophobicContact CG-CD1 4.03Å; P97-I100 HydrophobicContact CG-CG1 4.39Å; P97-I100 WeakPolarHBondContact O-CA 3.38Å; P97-I100 WeakPolarHBondContact O-CB 3.36Å; P97-I100 PolarHBondContact O-N 2.96Å; P97-R101 WeakPolarHBondContact O-CG 3.41Å; P97-R101 PolarHBondContact O-N 2.89Å; P97-T321 WeakPolarHBondContact CB-O 3.44Å
98	E	59.9	Low	53.1	Low	144 Å²	144	89.6 Å²	89.6	67%	0.673	47%	0.468	S	S	*	.	H	α-helix	trans	-53.9	-44	-176.7	-73.1	-177.8	179.1	0	0	113.6	I100 R101 S102	E98-I100 PolarHBondContact O-N 2.9Å; E98-R101 PolarHBondContact O-N 3.19Å; E98-R101 VanDerWaalsContact O-N 3.15Å; E98-R101 IonicContact OE1-NH2 2.72Å; E98-R101 PolarHBondContact OE1-NH2 3.28Å; E98-S102 PolarHBondContact O-N 3.41Å; E98-S102 PolarHBondContact O-OG 3.35Å
99	G	55.4	Low	51.5	Low	6 Å²	6	92.8 Å²	92.8	6%	0.062	49%	0.492	C	S	.	.	H	α-helix	trans	-68	-6.3	178.4	0	0	0	0	0	114.6	P97 Y320 T321 R428	P97-G99 VanDerWaalsContact C-N 3.32Å; P97-G99 PolarHBondContact O-N 2.92Å; G99-Y320 VanDerWaalsContact CA-CE1 3.42Å; G99-T321 WeakPolarHBondContact CA-O 3.46Å; G99-T321 PolarHBondContact N-O 3.38Å; G99-T321 VanDerWaalsContact N-O 3.16Å; G99-R428 PolarHBondContact O-NH1 3.45Å
100	I	58.5	Low	50.2	Low	5 Å²	5	91.2 Å²	91.2	3%	0.026	50%	0.501	C	S	.	.	H	α-helix	trans	-104.5	-35.3	173.8	-48.5	-168	0	0	0	110.7	H59 F63 V96 P97 E98 Y167 T321	H59-I100 WeakPolarHBondContact O-CD1 3.34Å; F63-I100 HydrophobicContact CD2-CD1 3.92Å; V96-I100 HydrophobicContact CG1-CB 3.69Å; V96-I100 HydrophobicContact CG1-CG2 3.64Å; P97-I100 HydrophobicContact CB-CD1 4.3Å; P97-I100 HydrophobicContact CB-CG1 4.13Å; P97-I100 HydrophobicContact CG-CD1 4.03Å; P97-I100 HydrophobicContact CG-CG1 4.39Å; P97-I100 WeakPolarHBondContact O-CA 3.38Å; P97-I100 WeakPolarHBondContact O-CB 3.36Å; P97-I100 PolarHBondContact O-N 2.96Å; E98-I100 PolarHBondContact O-N 2.9Å; I100-Y167 HydrophobicContact CG2-CD1 4.35Å; I100-Y167 HydrophobicContact CG2-CE1 3.78Å; I100-Y167 PolarHBondContact O-OH 3.42Å; I100-T321 HydrophobicContact CD1-CG2 4.19Å
101	R	54.3	Low	48.5	Very low	98 Å²	98	95.5 Å²	95.5	37%	0.37	52%	0.515	S	S	.	.	H	α-helix	trans	-67.4	-38.1	177.8	-68.4	-172.9	-70.8	-179.5	-5.5	113.2	P93 N94 V96 P97 E98 A103	P93-R101 WeakPolarHBondContact O-CD 3.13Å; P93-R101 PolarHBondContact O-NH1 3.28Å; N94-R101 PolarHBondContact OD1-NH1 2.96Å; V96-R101 HydrophobicContact CB-CG 3.66Å; V96-R101 HydrophobicContact CG1-CG 3.65Å; V96-R101 WeakPolarHBondContact O-CD 3.37Å; V96-R101 VanDerWaalsContact O-CG 3.28Å; V96-R101 WeakPolarHBondContact O-CG 3.28Å; V96-R101 PolarHBondContact O-NE 3.06Å; P97-R101 WeakPolarHBondContact O-CG 3.41Å; P97-R101 PolarHBondContact O-N 2.89Å; E98-R101 PolarHBondContact O-N 3.19Å; E98-R101 VanDerWaalsContact O-N 3.15Å; E98-R101 IonicContact OE1-NH2 2.72Å; E98-R101 PolarHBondContact OE1-NH2 3.28Å; R101-A103 PolarHBondContact O-N 3.26Å; R101-A103 VanDerWaalsContact O-N 3.16Å
102	S	44.6	Very low	47.6	Very low	69 Å²	69	98.9 Å²	98.9	48%	0.483	55%	0.545	S	S	.	.			trans	-76.6	103.4	-175.4	54.7	0	0	0	0	111	E98	E98-S102 PolarHBondContact O-N 3.41Å; E98-S102 PolarHBondContact O-OG 3.35Å
103	A	40.8	Very low	46.2	Very low	70 Å²	70	103.9 Å²	103.9	58%	0.579	57%	0.568	S	S	*	*			trans	-58.3	151.7	130.5	0	0	0	0	0	107.5	R101 H105	R101-A103 PolarHBondContact O-N 3.26Å; R101-A103 VanDerWaalsContact O-N 3.16Å; A103-H105 PolarHBondContact O-N 3.16Å
104	P	38.4	Very low	44.6	Very low	127 Å²	127	108.2 Å²	108.2	83%	0.825	58%	0.576	S	S	*	*	S	Bend	trans	-74.8	44.3	-166.7	33.7	-37.5	0	0	0	113.8
105	H	36.8	Very low	43.3	Very low	151 Å²	151	110.2 Å²	110.2	70%	0.699	58%	0.581	S	S	*	*			trans	-116.9	123.1	168.8	-72.5	-70.1	0	0	0	108.1	A103	A103-H105 PolarHBondContact O-N 3.16Å
106	N	36.7	Very low	42	Very low	160 Å²	160	111.4 Å²	111.4	86%	0.856	60%	0.597	S	S	*	*			trans	95.3	62.4	169.9	-44	-27.1	0	0	0	116
107	K	35.1	Very low	40.4	Very low	183 Å²	183	119.6 Å²	119.6	80%	0.796	64%	0.64	S	S	*	*			trans	-85.5	111.4	141.6	-89.4	-179	172.9	177.7	0	106.8
108	Y	35.4	Very low	38.5	Very low	235 Å²	235	125 Å²	125	92%	0.922	67%	0.672	S	S	*	*			trans	176.3	133.8	137.2	-72.8	-53.1	0	0	0	108.3
109	S	31.9	Very low	36.9	Very low	92 Å²	92	127.1 Å²	127.1	64%	0.643	68%	0.682	S	S	*	*			trans	-86.4	164.7	-163	55.2	0	0	0	0	115.1	E111	S109-E111 VanDerWaalsContact C-N 3.31Å; S109-E111 WeakPolarHBondContact CB-OE2 3.49Å; S109-E111 PolarHBondContact O-N 3.07Å; S109-E111 VanDerWaalsContact O-N 3.16Å; S109-E111 PolarHBondContact OG-OE2 3.12Å
110	A	37.3	Very low	35.3	Very low	84 Å²	84	131.7 Å²	131.7	69%	0.694	71%	0.712	S	S	*	*	S	Bend	trans	-80.1	18.8	-161.7	0	0	0	0	0	116.3	A112	A110-A112 PolarHBondContact O-N 3.05Å
111	E	33	Very low	33.8	Very low	153 Å²	153	141 Å²	141	72%	0.715	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-5.8	-174.3	-71.6	80.4	-155.2	0	0	115.7	S109	S109-E111 VanDerWaalsContact C-N 3.31Å; S109-E111 WeakPolarHBondContact CB-OE2 3.49Å; S109-E111 PolarHBondContact O-N 3.07Å; S109-E111 VanDerWaalsContact O-N 3.16Å; S109-E111 PolarHBondContact OG-OE2 3.12Å
112	A	34.7	Very low	32.7	Very low	95 Å²	95	145.2 Å²	145.2	79%	0.785	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-7.3	-178.1	0	0	0	0	0	115.1	A110 K114	A110-A112 PolarHBondContact O-N 3.05Å; A112-K114 PolarHBondContact O-N 3.32Å; A112-K114 VanDerWaalsContact O-N 3.16Å
113	N	34.8	Very low	32.2	Very low	154 Å²	154	150.4 Å²	150.4	82%	0.824	79%	0.793	S	S	*	*			trans	-91.2	64.1	-172.8	-81.8	-22.2	0	0	0	113.5
114	K	27.4	Very low	31.7	Very low	194 Å²	194	155.9 Å²	155.9	84%	0.843	80%	0.804	S	S	*	*			trans	-103	99.4	166.5	-83.9	-172	178.5	177.9	0	112.6	A112	A112-K114 PolarHBondContact O-N 3.32Å; A112-K114 VanDerWaalsContact O-N 3.16Å
115	Q	29.5	Very low	31.5	Very low	181 Å²	181	158.1 Å²	158.1	85%	0.846	80%	0.803	S	S	*	*			trans	63.6	160.7	147.1	-62.4	-170.7	-12.9	0	0	120.3
116	P	32.3	Very low	31	Very low	117 Å²	117	159.6 Å²	159.6	76%	0.76	82%	0.815	S	S	*	*				-125.3	147.9	-51.5	34.5	-19.3	0	0	0	111.2
117	L	26	Very low	30.5	Very low	179 Å²	179	156.2 Å²	156.2	94%	0.937	82%	0.818	S	S	*	*			trans	-90.5	120.6	174	-81.7	149.4	0	0	0	110.3
118	T	25	Very low	30.4	Very low	128 Å²	128	151.7 Å²	151.7	79%	0.785	82%	0.815	S	S	*	*			trans	-78.7	134.2	155.6	37	0	0	0	0	110.1
119	E	26.3	Very low	30	Very low	188 Å²	188	147 Å²	147	88%	0.879	81%	0.811	S	S	*	*			trans	-0.7	149.1	154.9	-72.1	173.5	146.9	0	0	118.8
120	C	23.4	Very low	29.8	Very low	102 Å²	102	149.6 Å²	149.6	69%	0.689	82%	0.817	S	S	*	*			cis	179.6	123.3	-9.2	-176.5	0	0	0	0	103
121	E	26.9	Very low	29.6	Very low	200 Å²	200	151.4 Å²	151.4	94%	0.935	82%	0.819	S	S	*	*			trans	-161.8	111.6	153.5	-111.2	169.2	-157.8	0	0	107.8
122	K	31.4	Very low	29.4	Very low	187 Å²	187	149.6 Å²	149.6	81%	0.813	82%	0.823	S	S	*	*			trans	-95.8	142.4	-172.6	-87.7	-178.5	178.4	177.3	0	110.8
123	E	33.5	Very low	29.4	Very low	178 Å²	178	150 Å²	150	83%	0.832	81%	0.812	S	S	*	*			trans	91.8	100.3	153	-73.1	-179.7	-167.8	0	0	119.8
124	K	29.7	Very low	29.8	Very low	186 Å²	186	146 Å²	146	81%	0.809	80%	0.796	S	S	*	*	S	Bend	trans	132.6	125.9	136.7	-79.9	-179.1	174.2	174.8	0	112.9
125	H	33.8	Very low	30.5	Very low	173 Å²	173	143.7 Å²	143.7	80%	0.801	79%	0.788	S	S	*	*			trans	73	89.5	170.3	-63.4	-73.6	0	0	0	118.8
126	L	26.1	Very low	31	Very low	182 Å²	182	143.4 Å²	143.4	95%	0.953	78%	0.784	S	S	*	*			trans	-148	79.8	149.1	-75.8	178.8	0	0	0	110.5
127	G	26.4	Very low	31.3	Very low	89 Å²	89	140.8 Å²	140.8	92%	0.918	77%	0.766	S	S	*	*			trans	-118.2	28.5	168.1	0	0	0	0	0	111.9
128	A	34.7	Very low	31.8	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	75%	0.75	S	S	*	*			trans	-122.6	106.4	174	0	0	0	0	0	108
129	V	25.8	Very low	32.4	Very low	138 Å²	138	139.2 Å²	139.2	84%	0.836	74%	0.738	S	S	*	*			trans	-119.8	129.5	160.8	-177.2	0	0	0	0	107.3
130	D	26.8	Very low	32.9	Very low	145 Å²	145	131.5 Å²	131.5	78%	0.775	71%	0.706	S	S	*	*			trans	-56.2	129.8	-175	-163.1	-9.9	0	0	0	112.5
131	V	34.3	Very low	33.5	Very low	123 Å²	123	130.5 Å²	130.5	75%	0.745	69%	0.694	S	S	*	*			trans	-105.2	77.9	-175.4	-126.3	0	0	0	0	108.1	L133	V131-L133 PolarHBondContact O-N 3.31Å; V131-L133 VanDerWaalsContact O-N 3.15Å
132	S	28.2	Very low	34.1	Very low	114 Å²	114	125 Å²	125	80%	0.797	67%	0.67	S	S	*	*			trans	-88.1	66.4	170.1	54	0	0	0	0	110.9
133	L	35	Very low	34.4	Very low	104 Å²	104	122.4 Å²	122.4	55%	0.545	66%	0.661	S	S	.	*			trans	-86.4	133.2	153.4	-75.1	167.4	0	0	0	107.2	V131 E135	V131-L133 PolarHBondContact O-N 3.31Å; V131-L133 VanDerWaalsContact O-N 3.15Å; L133-E135 PolarHBondContact O-N 3.41Å
134	S	43.6	Very low	34.6	Very low	70 Å²	70	120.9 Å²	120.9	49%	0.49	65%	0.648	S	S	.	*			trans	-55.3	141.9	179.2	86	0	0	0	0	110.6	K136 T137 R138	S134-K136 PolarHBondContact O-N 3.03Å; S134-K136 VanDerWaalsContact O-N 3.12Å; S134-T137 WeakPolarHBondContact O-CA 3.28Å; S134-T137 WeakPolarHBondContact O-CB 3.33Å; S134-T137 PolarHBondContact O-N 3.26Å; S134-T137 PolarHBondContact OG-N 3.43Å; S134-T137 PolarHBondContact OG-OG1 3.21Å; S134-R138 PolarHBondContact O-N 3.41Å
135	E	42.8	Very low	35	Very low	146 Å²	146	119.7 Å²	119.7	68%	0.682	64%	0.638	S	S	*	*	H	α-helix	trans	-54.4	-36.5	-175	-150.4	169.3	-164.2	0	0	111.7	L133 T137 R138 E139	L133-E135 PolarHBondContact O-N 3.41Å; E135-T137 PolarHBondContact O-N 3.47Å; E135-R138 PolarHBondContact O-N 3.41Å; E135-E139 WeakPolarHBondContact O-CG 3.41Å; E135-E139 PolarHBondContact O-N 3.13Å
136	K	38.9	Very low	35.2	Very low	175 Å²	175	119 Å²	119	76%	0.761	63%	0.633	S	S	*	*	H	α-helix	trans	-60.9	-37	172.7	-74.5	-174.4	174.4	-178.4	0	114.3	S134 A140	S134-K136 PolarHBondContact O-N 3.03Å; S134-K136 VanDerWaalsContact O-N 3.12Å; K136-A140 VanDerWaalsContact O-CB 3.26Å; K136-A140 WeakPolarHBondContact O-CB 3.42Å; K136-A140 PolarHBondContact O-N 3.4Å
137	T	37.7	Very low	35.8	Very low	61 Å²	61	115 Å²	115	37%	0.374	61%	0.609	S	S	.	*	H	α-helix	trans	-75	-34	179.8	-46	0	0	0	0	111.2	S134 E135 L141	S134-T137 WeakPolarHBondContact O-CA 3.28Å; S134-T137 WeakPolarHBondContact O-CB 3.33Å; S134-T137 PolarHBondContact O-N 3.26Å; S134-T137 PolarHBondContact OG-N 3.43Å; S134-T137 PolarHBondContact OG-OG1 3.21Å; E135-T137 PolarHBondContact O-N 3.47Å; T137-L141 HydrophobicContact CG2-CD1 4.42Å; T137-L141 WeakPolarHBondContact O-CG 3.36Å; T137-L141 PolarHBondContact O-N 3.12Å; T137-L141 VanDerWaalsContact O-N 3.11Å
138	R	36.9	Very low	36.4	Very low	159 Å²	159	114.9 Å²	114.9	60%	0.6	59%	0.587	S	S	*	*	H	α-helix	trans	-73.2	-40.2	177.9	-157.5	176.1	74.3	147.3	1.5	111.5	S134 E135 L142	S134-R138 PolarHBondContact O-N 3.41Å; E135-R138 PolarHBondContact O-N 3.41Å; R138-L142 HydrophobicContact CG-CD1 4.48Å; R138-L142 WeakPolarHBondContact O-CB 3.4Å; R138-L142 WeakPolarHBondContact O-CD1 3.32Å; R138-L142 WeakPolarHBondContact O-CG 3.39Å; R138-L142 PolarHBondContact O-N 2.82Å; R138-L142 VanDerWaalsContact O-N 3.12Å
139	E	39	Very low	36.8	Very low	116 Å²	116	114.4 Å²	114.4	54%	0.542	57%	0.573	S	S	.	*	H	α-helix	trans	-65.9	-41.3	172.4	-73.4	-179.4	159.4	0	0	111.7	E135 L141 L142 E143	E135-E139 WeakPolarHBondContact O-CG 3.41Å; E135-E139 PolarHBondContact O-N 3.13Å; E139-L141 PolarHBondContact O-N 3.33Å; E139-L142 CarbonylContact O-C 3.14Å; E139-L142 PolarHBondContact O-N 2.91Å; E139-E143 WeakPolarHBondContact O-CB 3.48Å; E139-E143 PolarHBondContact O-N 3.37Å
140	A	36.2	Very low	37.5	Very low	25 Å²	25	116.9 Å²	116.9	21%	0.207	57%	0.572	C	S	.	*	H	α-helix	trans	-62	-40.5	176.1	0	0	0	0	0	113.1	K136 E143 W144	K136-A140 VanDerWaalsContact O-CB 3.26Å; K136-A140 WeakPolarHBondContact O-CB 3.42Å; K136-A140 PolarHBondContact O-N 3.4Å; A140-E143 PolarHBondContact O-N 3.3Å; A140-W144 HydrophobicContact CB-CZ2 4.44Å; A140-W144 WeakPolarHBondContact O-CB 3.47Å; A140-W144 PolarHBondContact O-N 3.26Å
141	L	35.8	Very low	38.3	Very low	81 Å²	81	113 Å²	113	42%	0.424	56%	0.56	S	S	.	*	H	α-helix	trans	-71.3	-32.3	177	-72.4	166.9	0	0	0	112.9	T137 E139 W144 R145	T137-L141 HydrophobicContact CG2-CD1 4.42Å; T137-L141 WeakPolarHBondContact O-CG 3.36Å; T137-L141 PolarHBondContact O-N 3.12Å; T137-L141 VanDerWaalsContact O-N 3.11Å; E139-L141 PolarHBondContact O-N 3.33Å; L141-W144 HydrophobicContact CD2-CE3 3.98Å; L141-W144 HydrophobicContact CD2-CZ3 4.17Å; L141-R145 WeakPolarHBondContact O-CB 3.23Å; L141-R145 PolarHBondContact O-N 3.14Å; L141-R145 VanDerWaalsContact O-N 3.11Å
142	L	39.1	Very low	39.2	Very low	84 Å²	84	112.6 Å²	112.6	44%	0.44	55%	0.55	S	S	.	*	H	α-helix	trans	-74.4	-35	172.6	-79.7	161.6	0	0	0	111.9	R138 E139 K146	R138-L142 HydrophobicContact CG-CD1 4.48Å; R138-L142 WeakPolarHBondContact O-CB 3.4Å; R138-L142 WeakPolarHBondContact O-CD1 3.32Å; R138-L142 WeakPolarHBondContact O-CG 3.39Å; R138-L142 PolarHBondContact O-N 2.82Å; R138-L142 VanDerWaalsContact O-N 3.12Å; E139-L142 CarbonylContact O-C 3.14Å; E139-L142 PolarHBondContact O-N 2.91Å; L142-K146 WeakPolarHBondContact O-CB 3.42Å; L142-K146 WeakPolarHBondContact O-CG 3.35Å; L142-K146 PolarHBondContact O-N 3.31Å
143	E	37.6	Very low	40.7	Very low	134 Å²	134	112 Å²	112	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-69.3	-41.2	172.6	-102.2	-175.9	154.3	0	0	111.6	E139 A140 R145 K146 H147	E139-E143 WeakPolarHBondContact O-CB 3.48Å; E139-E143 PolarHBondContact O-N 3.37Å; A140-E143 PolarHBondContact O-N 3.3Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-K146 CarbonylContact O-C 3.58Å; E143-K146 PolarHBondContact O-N 2.86Å; E143-H147 WeakPolarHBondContact O-CB 3.29Å; E143-H147 PolarHBondContact O-N 3.3Å
144	W	38.9	Very low	41.5	Very low	146 Å²	146	107.1 Å²	107.1	55%	0.553	51%	0.505	S	S	*	.	H	α-helix	trans	-64.4	-40.7	175.2	-63.8	-5.1	0	0	0	110.8	A140 L141 H147 D148	A140-W144 HydrophobicContact CB-CZ2 4.44Å; A140-W144 WeakPolarHBondContact O-CB 3.47Å; A140-W144 PolarHBondContact O-N 3.26Å; L141-W144 HydrophobicContact CD2-CE3 3.98Å; L141-W144 HydrophobicContact CD2-CZ3 4.17Å; W144-H147 CarbonylContact O-C 3.44Å; W144-H147 WeakPolarHBondContact O-CB 3.38Å; W144-H147 PolarHBondContact O-N 2.94Å; W144-D148 WeakPolarHBondContact O-CB 3.45Å; W144-D148 PolarHBondContact O-N 2.91Å
145	R	36.9	Very low	42	Very low	161 Å²	161	104.5 Å²	104.5	61%	0.608	49%	0.486	S	S	*	.	H	α-helix	trans	-65.5	-45.1	173.8	-156.8	179.7	-61.3	-175.3	-1.2	112.4	L141 E143 H147 D148 D149	L141-R145 WeakPolarHBondContact O-CB 3.23Å; L141-R145 PolarHBondContact O-N 3.14Å; L141-R145 VanDerWaalsContact O-N 3.11Å; E143-R145 VanDerWaalsContact C-N 3.34Å; R145-H147 PolarHBondContact O-N 3.32Å; R145-D148 PolarHBondContact O-N 3.38Å; R145-D149 WeakPolarHBondContact O-CB 3.37Å; R145-D149 PolarHBondContact O-N 2.84Å
146	K	39.1	Very low	42.5	Very low	157 Å²	157	98.9 Å²	98.9	68%	0.683	46%	0.462	S	S	*	.	H	α-helix	trans	-65.1	-24.2	172.4	-78.4	178.9	178.6	177.9	0	113.3	L142 E143	L142-K146 WeakPolarHBondContact O-CB 3.42Å; L142-K146 WeakPolarHBondContact O-CG 3.35Å; L142-K146 PolarHBondContact O-N 3.31Å; E143-K146 CarbonylContact O-C 3.58Å; E143-K146 PolarHBondContact O-N 2.86Å
147	H	38	Very low	43.1	Very low	98 Å²	98	92.8 Å²	92.8	45%	0.454	44%	0.437	S	S	.	.	H	α-helix	trans	-83.6	-34.7	177.4	-174.8	-45.9	0	0	0	111.7	E143 W144 R145 R421	E143-H147 WeakPolarHBondContact O-CB 3.29Å; E143-H147 PolarHBondContact O-N 3.3Å; W144-H147 CarbonylContact O-C 3.44Å; W144-H147 WeakPolarHBondContact O-CB 3.38Å; W144-H147 PolarHBondContact O-N 2.94Å; R145-H147 PolarHBondContact O-N 3.32Å; H147-R421 WeakPolarHBondContact CE1-CD 3.45Å; H147-R421 PolarHBondContact CE1-NE 3.28Å; H147-R421 VanDerWaalsContact CE1-NE 3.29Å; H147-R421 PolarHBondContact CE1-NH1 3.18Å; H147-R421 PolarHBondContact ND1-NH1 3.48Å; H147-R421 VanDerWaalsContact NE2-CZ 3.27Å; H147-R421 PolarHBondContact NE2-NH2 3.21Å
148	D	40	Very low	43.9	Very low	87 Å²	87	94.1 Å²	94.1	47%	0.465	44%	0.442	S	S	.	.	H	α-helix	trans	-81	-20.8	177.9	-62.8	-20.4	0	0	0	111.7	W144 R145 K150 R421	W144-D148 WeakPolarHBondContact O-CB 3.45Å; W144-D148 PolarHBondContact O-N 2.91Å; R145-D148 PolarHBondContact O-N 3.38Å; D148-K150 VanDerWaalsContact C-N 3.29Å; D148-K150 PolarHBondContact O-N 3.03Å; D148-R421 IonicContact OD1-NH1 3.11Å; D148-R421 PolarHBondContact OD1-NH1 3.42Å; D148-R421 VanDerWaalsContact OD1-NH1 3.12Å
149	D	41.5	Very low	44.8	Very low	79 Å²	79	87.2 Å²	87.2	42%	0.422	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	2.1	179	-79.8	-4.5	0	0	0	115.9	R145 R153	R145-D149 WeakPolarHBondContact O-CB 3.37Å; R145-D149 PolarHBondContact O-N 2.84Å; D149-R153 IonicContact OD1-CZ 3.44Å; D149-R153 IonicContact OD1-NH2 2.71Å; D149-R153 PolarHBondContact OD1-NH2 3.34Å; D149-R153 IonicContact OD2-NH2 3.29Å; D149-R153 PolarHBondContact OD2-NH2 2.81Å
150	K	41.4	Very low	45.6	Very low	189 Å²	189	84 Å²	84	82%	0.822	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	16.4	178.6	-78.9	-173.7	178.4	-179.9	0	115	D148	D148-K150 VanDerWaalsContact C-N 3.29Å; D148-K150 PolarHBondContact O-N 3.03Å
151	A	44.2	Very low	46.7	Very low	63 Å²	63	90 Å²	90	52%	0.521	43%	0.426	S	S	.	.	S	Bend	trans	-91.2	135.5	169.7	0	0	0	0	0	111.3	R153	A151-R153 WeakPolarHBondContact O-CG 3.34Å; A151-R153 PolarHBondContact O-N 3.02Å
152	E	51.6	Low	48	Very low	115 Å²	115	87.3 Å²	87.3	54%	0.537	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.6	116.4	177.3	-65.9	168.1	179.2	0	0	111	K365	E152-K365 WeakPolarHBondContact OE2-CE 3.47Å; E152-K365 IonicContact OE2-NZ 2.65Å; E152-K365 PolarHBondContact OE2-NZ 3.35Å
153	R	60.1	Low	49.2	Very low	102 Å²	102	89.2 Å²	89.2	39%	0.385	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-100.1	126.5	-166.3	-53.3	-179	-178.6	159	-8.8	113.1	D149 A151 R369	D149-R153 IonicContact OD1-CZ 3.44Å; D149-R153 IonicContact OD1-NH2 2.71Å; D149-R153 PolarHBondContact OD1-NH2 3.34Å; D149-R153 IonicContact OD2-NH2 3.29Å; D149-R153 PolarHBondContact OD2-NH2 2.81Å; A151-R153 WeakPolarHBondContact O-CG 3.34Å; A151-R153 PolarHBondContact O-N 3.02Å; R153-R369 WeakPolarHBondContact O-CD 3.39Å; R153-R369 WeakPolarHBondContact O-CG 3.37Å; R153-R369 PolarHBondContact O-NH1 3.31Å
154	F	51.8	Low	50.9	Low	2 Å²	2	87.1 Å²	87.1	1%	0.009	42%	0.424	C	S	.	.	S	Bend	trans	-87.5	-20.4	-175.7	-77.8	-107.3	0	0	0	116.5	K365 R369 K403 F406	F154-K365 HydrophobicContact CE1-CG 4.24Å; F154-K365 HydrophobicContact CE2-CG 4.5Å; F154-K365 HydrophobicContact CZ-CD 4.21Å; F154-K365 HydrophobicContact CZ-CG 3.59Å; F154-R369 HydrophobicContact CB-CG 4.23Å; F154-R369 HydrophobicContact CD1-CB 4.04Å; F154-R369 HydrophobicContact CD1-CG 3.98Å; F154-R369 HydrophobicContact CD2-CG 4.14Å; F154-R369 HydrophobicContact CE1-CB 4.21Å; F154-R369 HydrophobicContact CE1-CG 4.42Å; F154-R369 HydrophobicContact CG-CB 4.42Å; F154-R369 HydrophobicContact CG-CG 3.85Å; F154-K403 HydrophobicContact CB-CB 4.41Å; F154-K403 HydrophobicContact CD1-CB 4.26Å; F154-K403 HydrophobicContact CD2-CB 3.47Å; F154-K403 VanDerWaalsContact CD2-CB 3.47Å; F154-K403 HydrophobicContact CD2-CD 3.86Å; F154-K403 HydrophobicContact CD2-CG 3.57Å; F154-K403 HydrophobicContact CE1-CB 4.39Å; F154-K403 HydrophobicContact CE2-CB 3.61Å; F154-K403 HydrophobicContact CE2-CD 4.38Å; F154-K403 HydrophobicContact CE2-CG 3.63Å; F154-K403 HydrophobicContact CG-CB 3.8Å; F154-K403 HydrophobicContact CG-CG 4.36Å; F154-K403 HydrophobicContact CZ-CB 4.06Å; F154-K403 HydrophobicContact CZ-CG 4.47Å; F154-F406 HydrophobicContact CE1-CD2 4.12Å; F154-F406 HydrophobicContact CZ-CD2 4.16Å
155	C	54.6	Low	52.6	Low	14 Å²	14	81.1 Å²	81.1	10%	0.095	40%	0.404	C	S	.	.	S	Bend	trans	-138.5	159.4	-179.7	-61.9	0	0	0	0	111.3	I157 Q396	C155-I157 PolarHBondContact O-N 3.32Å; C155-Q396 HydrophobicContact CB-CG 4.12Å
156	V	53.5	Low	54.5	Low	28 Å²	28	77.7 Å²	77.7	17%	0.17	40%	0.395	C	S	.	.			trans	-78	118.9	-176.8	178.4	0	0	0	0	109.3	D158 L373	V156-D158 VanDerWaalsContact C-N 3.25Å; V156-D158 HydrophobicContact CG1-CB 3.52Å; V156-D158 WeakPolarHBondContact CG1-OD1 3.33Å; V156-D158 WeakPolarHBondContact CG1-OD2 3.19Å; V156-D158 PolarHBondContact O-N 2.69Å; V156-L373 HydrophobicContact CB-CD2 4.24Å; V156-L373 HydrophobicContact CG2-CB 4.28Å; V156-L373 HydrophobicContact CG2-CD2 3.39Å; V156-L373 HydrophobicContact CG2-CG 4.45Å; V156-L373 VanDerWaalsContact N-CD2 3.35Å
157	I	50.8	Low	56.3	Low	48 Å²	48	73 Å²	73	25%	0.246	37%	0.374	C	S	.	.			trans	-84.4	3.7	178	-58.2	175.8	0	0	0	111.8	C155 D159 E160 E161	C155-I157 PolarHBondContact O-N 3.32Å; I157-D159 PolarHBondContact O-N 3.2Å; I157-E160 HydrophobicContact CG2-CB 3.75Å; I157-E160 HydrophobicContact CG2-CG 4.04Å; I157-E160 WeakPolarHBondContact CG2-OE2 3.32Å; I157-E160 PolarHBondContact O-N 3.18Å; I157-E161 HydrophobicContact CG2-CG 4.39Å; I157-E161 PolarHBondContact O-N 3.45Å
158	D	54.4	Low	58.3	Low	88 Å²	88	68.5 Å²	68.5	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-56	-16.1	-178.2	-61.9	-3.1	0	0	0	113.4	K70 V156 S162	K70-D158 PolarHBondContact NZ-O 2.88Å; V156-D158 VanDerWaalsContact C-N 3.25Å; V156-D158 HydrophobicContact CG1-CB 3.52Å; V156-D158 WeakPolarHBondContact CG1-OD1 3.33Å; V156-D158 WeakPolarHBondContact CG1-OD2 3.19Å; V156-D158 PolarHBondContact O-N 2.69Å; D158-S162 WeakPolarHBondContact O-CB 3.4Å; D158-S162 PolarHBondContact O-N 3.04Å
159	D	55.6	Low	60.3	Low	14 Å²	14	64.7 Å²	64.7	8%	0.075	33%	0.332	C	S	.	.	H	α-helix	trans	-84.5	-20.1	172.8	-73.1	4.9	0	0	0	113.5	N67 K70 I157 S165 K392	N67-D159 HydrophobicContact CB-CB 4.28Å; N67-D159 WeakPolarHBondContact CB-OD1 3.34Å; N67-D159 PolarHBondContact N-OD2 2.94Å; K70-D159 WeakPolarHBondContact CD-OD1 3.41Å; K70-D159 WeakPolarHBondContact CE-OD1 3.24Å; K70-D159 IonicContact NZ-OD1 3.39Å; K70-D159 PolarHBondContact NZ-OD1 3.45Å; I157-D159 PolarHBondContact O-N 3.2Å; D159-S165 WeakPolarHBondContact O-CB 3.5Å; D159-S165 PolarHBondContact O-OG 3.12Å; D159-K392 IonicContact OD1-NZ 3.4Å; D159-K392 WeakPolarHBondContact OD2-CD 3.49Å; D159-K392 WeakPolarHBondContact OD2-CE 3.47Å; D159-K392 IonicContact OD2-NZ 2.59Å; D159-K392 PolarHBondContact OD2-NZ 3.44Å
160	E	57.4	Low	62.4	Low	50 Å²	50	61.1 Å²	61.1	23%	0.234	31%	0.314	C	S	.	.	H	α-helix	trans	-84.2	-32.7	174	-63.9	-165.7	115.7	0	0	112	K65 I157 N427 Q429	K65-E160 WeakPolarHBondContact CE-O 3.48Å; K65-E160 PolarHBondContact NZ-O 2.99Å; I157-E160 HydrophobicContact CG2-CB 3.75Å; I157-E160 HydrophobicContact CG2-CG 4.04Å; I157-E160 WeakPolarHBondContact CG2-OE2 3.32Å; I157-E160 PolarHBondContact O-N 3.18Å; E160-N427 PolarHBondContact OE2-ND2 3.37Å; E160-Q429 HydrophobicContact CG-CB 4.46Å; E160-Q429 HydrophobicContact CG-CG 4.45Å; E160-Q429 WeakPolarHBondContact OE1-CB 3.02Å
161	E	58.5	Low	64.3	Low	151 Å²	151	55.8 Å²	55.8	71%	0.706	29%	0.294	S	S	*	.	H	α-helix	trans	-90.3	-16.2	-175.5	-63.2	-175.5	169.3	0	0	113.2	I157	I157-E161 HydrophobicContact CG2-CG 4.39Å; I157-E161 PolarHBondContact O-N 3.45Å
162	S	62.5	Low	66	Low	24 Å²	24	57 Å²	57	17%	0.168	29%	0.291	C	S	.	.			trans	-69.7	135.4	179.1	173.4	0	0	0	0	111.3	N67 D158 D164 S165	N67-S162 PolarHBondContact ND2-OG 2.68Å; D158-S162 WeakPolarHBondContact O-CB 3.4Å; D158-S162 PolarHBondContact O-N 3.04Å; S162-D164 PolarHBondContact O-N 3.31Å; S162-D164 PolarHBondContact OG-N 3.18Å; S162-S165 WeakPolarHBondContact CB-OG 3.14Å; S162-S165 WeakPolarHBondContact O-CB 3.37Å; S162-S165 PolarHBondContact O-N 3.03Å; S162-S165 PolarHBondContact O-OG 2.81Å; S162-S165 VanDerWaalsContact O-OG 3.11Å
163	P	64.1	Low	67.6	Low	123 Å²	123	51.6 Å²	51.6	80%	0.799	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.4	176.2	28	-35.4	0	0	0	112.8	S165	P163-S165 VanDerWaalsContact C-N 3.27Å; P163-S165 PolarHBondContact O-N 3.47Å
164	D	73.2	Confident	68.9	Low	91 Å²	91	48.5 Å²	48.5	49%	0.487	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.1	-178.6	-57.4	-46.1	0	0	0	113.3	S162	S162-D164 PolarHBondContact O-N 3.31Å; S162-D164 PolarHBondContact OG-N 3.18Å
165	S	76.5	Confident	70.8	Confident	20 Å²	20	49.1 Å²	49.1	14%	0.14	26%	0.261	C	S	.	.			trans	-77	135.3	-175.9	-61	0	0	0	0	112.5	D159 S162 P163	D159-S165 WeakPolarHBondContact O-CB 3.5Å; D159-S165 PolarHBondContact O-OG 3.12Å; S162-S165 WeakPolarHBondContact CB-OG 3.14Å; S162-S165 WeakPolarHBondContact O-CB 3.37Å; S162-S165 PolarHBondContact O-N 3.03Å; S162-S165 PolarHBondContact O-OG 2.81Å; S162-S165 VanDerWaalsContact O-OG 3.11Å; P163-S165 VanDerWaalsContact C-N 3.27Å; P163-S165 PolarHBondContact O-N 3.47Å
166	Q	76.3	Confident	72.5	Confident	89 Å²	89	51.3 Å²	51.3	42%	0.416	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148	-174.6	-61.1	175.8	22.7	0	0	110	K65 V66 P90	K65-Q166 WeakPolarHBondContact CA-O 3.35Å; V66-Q166 PolarHBondContact N-O 3.26Å; V66-Q166 PolarHBondContact O-N 3.44Å; P90-Q166 VanDerWaalsContact CB-OE1 3.23Å
167	Y	77.1	Confident	74.3	Confident	59 Å²	59	52.4 Å²	52.4	23%	0.231	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.5	167.2	-77.9	-78.4	0	0	0	109.6	F63 K65 C91 V96 I100	F63-Y167 HydrophobicContact CB-CD1 4.13Å; K65-Y167 HydrophobicContact CB-CD1 4.08Å; K65-Y167 HydrophobicContact CB-CE1 3.79Å; K65-Y167 HydrophobicContact CD-CE2 4.39Å; K65-Y167 HydrophobicContact CG-CE1 4.4Å; C91-Y167 WeakPolarHBondContact CB-O 3.37Å; C91-Y167 PolarHBondContact N-O 3.12Å; C91-Y167 PolarHBondContact SG-O 2.87Å; C91-Y167 VanDerWaalsContact SG-O 3.38Å; V96-Y167 HydrophobicContact CG1-CD2 4.42Å; V96-Y167 HydrophobicContact CG1-CG 4.42Å; V96-Y167 HydrophobicContact CG2-CG 4.34Å; I100-Y167 HydrophobicContact CG2-CD1 4.35Å; I100-Y167 HydrophobicContact CG2-CE1 3.78Å; I100-Y167 PolarHBondContact O-OH 3.42Å
168	V	79.3	Confident	76	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.9	174.1	178.6	0	0	0	0	108.4	F63 Y64 V66 V88 N173	F63-V168 WeakPolarHBondContact CA-O 3.47Å; Y64-V168 PolarHBondContact N-O 2.92Å; Y64-V168 PolarHBondContact O-N 3.49Å; V66-V168 HydrophobicContact CG1-CB 4.32Å; V66-V168 HydrophobicContact CG1-CG2 3.54Å; V88-V168 HydrophobicContact CG1-CB 4.43Å; V88-V168 HydrophobicContact CG1-CG1 3.61Å; V88-V168 HydrophobicContact CG1-CG2 3.87Å; V168-N173 HydrophobicContact CG1-CB 4.29Å; V168-N173 WeakPolarHBondContact CG1-ND2 3.4Å
169	D	81.6	Confident	77.4	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.5	172.5	-177.8	4	0	0	0	109.8	R62 F63 C91 L171 L172 N173	R62-D169 IonicContact CZ-OD1 3.45Å; R62-D169 IonicContact CZ-OD2 3.48Å; R62-D169 IonicContact NE-OD1 3.22Å; R62-D169 PolarHBondContact NE-OD1 3.41Å; R62-D169 IonicContact NE-OD2 3.67Å; R62-D169 VanDerWaalsContact NH2-CG 3.35Å; R62-D169 IonicContact NH2-OD1 2.71Å; R62-D169 PolarHBondContact NH2-OD1 3.37Å; R62-D169 IonicContact NH2-OD2 3.81Å; R62-D169 PolarHBondContact NH2-OD2 2.63Å; F63-D169 HydrophobicContact CD1-CB 4.17Å; F63-D169 HydrophobicContact CE1-CB 4Å; C91-D169 PolarHBondContact SG-N 2.97Å; D169-L171 PolarHBondContact O-N 2.98Å; D169-L171 PolarHBondContact OD1-N 2.92Å; D169-L171 VanDerWaalsContact OD1-N 3.12Å; D169-L172 HydrophobicContact CB-CB 4.38Å; D169-L172 HydrophobicContact CB-CD1 4.21Å; D169-L172 HydrophobicContact CB-CG 4.34Å; D169-L172 PolarHBondContact O-N 3.08Å; D169-L172 WeakPolarHBondContact OD2-CD1 3.39Å; D169-L172 WeakPolarHBondContact OD2-CG 3.5Å; D169-N173 PolarHBondContact O-N 3.2Å; D169-N173 PolarHBondContact O-ND2 2.84Å
170	L	85.1	Confident	78.8	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.026	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.5	-176.9	-61.4	179	0	0	0	112.3	R62 N173 V389 W390 V393 N436	R62-L170 WeakPolarHBondContact O-CB 3.47Å; R62-L170 WeakPolarHBondContact O-CG 3.46Å; R62-L170 PolarHBondContact O-N 3.28Å; L170-N173 CarbonylContact O-C 3.43Å; L170-N173 VanDerWaalsContact O-C 3.26Å; L170-N173 PolarHBondContact O-N 3.18Å; L170-V389 HydrophobicContact CD2-CG1 3.98Å; L170-W390 HydrophobicContact CB-CH2 4.11Å; L170-W390 HydrophobicContact CB-CZ2 4.19Å; L170-W390 HydrophobicContact CD1-CH2 4.29Å; L170-W390 HydrophobicContact CD2-CH2 4.22Å; L170-W390 HydrophobicContact CD2-CZ2 4.19Å; L170-W390 HydrophobicContact CG-CH2 4.45Å; L170-V393 HydrophobicContact CD2-CG2 4.38Å; L170-N436 HydrophobicContact CD1-CB 4.39Å; L170-N436 WeakPolarHBondContact CD1-OD1 3.44Å
171	L	82.2	Confident	80.1	Confident	77 Å²	77	53.8 Å²	53.8	40%	0.403	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.3	177.5	-59.8	-175	0	0	0	112	E57 R62 D169 N173	E57-L171 HydrophobicContact CB-CD1 4.33Å; E57-L171 HydrophobicContact CG-CD1 4.35Å; E57-L171 HydrophobicContact CG-CD2 3.93Å; R62-L171 HydrophobicContact CB-CD1 4.25Å; R62-L171 HydrophobicContact CB-CG 4.07Å; D169-L171 PolarHBondContact O-N 2.98Å; D169-L171 PolarHBondContact OD1-N 2.92Å; D169-L171 VanDerWaalsContact OD1-N 3.12Å; L171-N173 VanDerWaalsContact C-N 3.29Å
172	L	79.8	Confident	81.3	Confident	87 Å²	87	47.3 Å²	47.3	46%	0.455	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.1	174.9	-65.2	178.4	0	0	0	112.5	K89 D169 P174	K89-L172 HydrophobicContact CD-CD1 4.38Å; D169-L172 HydrophobicContact CB-CB 4.38Å; D169-L172 HydrophobicContact CB-CD1 4.21Å; D169-L172 HydrophobicContact CB-CG 4.34Å; D169-L172 PolarHBondContact O-N 3.08Å; D169-L172 WeakPolarHBondContact OD2-CD1 3.39Å; D169-L172 WeakPolarHBondContact OD2-CG 3.5Å; L172-P174 WeakPolarHBondContact O-CD 3.38Å
173	N	85.1	Confident	82.2	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	27%	0.268	C	S	.	.	S	Bend	trans	-122.1	58.8	-177.3	-62	-80.1	0	0	0	111.2	V88 K89 V168 D169 L170 L171 W390	V88-N173 WeakPolarHBondContact CA-OD1 3.38Å; K89-N173 PolarHBondContact N-OD1 3.27Å; K89-N173 PolarHBondContact O-ND2 3.05Å; V168-N173 HydrophobicContact CG1-CB 4.29Å; V168-N173 WeakPolarHBondContact CG1-ND2 3.4Å; D169-N173 PolarHBondContact O-N 3.2Å; D169-N173 PolarHBondContact O-ND2 2.84Å; L170-N173 CarbonylContact O-C 3.43Å; L170-N173 VanDerWaalsContact O-C 3.26Å; L170-N173 PolarHBondContact O-N 3.18Å; L171-N173 VanDerWaalsContact C-N 3.29Å; N173-W390 PolarHBondContact O-NE1 3.41Å
174	P	88.4	Confident	83.2	Confident	36 Å²	36	47.9 Å²	47.9	23%	0.234	24%	0.244	C	C	.	.			trans	-66.9	146.3	-177.3	29.7	-36.3	0	0	0	111.8	L172 R176	L172-P174 WeakPolarHBondContact O-CD 3.38Å; P174-R176 PolarHBondContact O-N 3.48Å
175	E	91.8	Very high	83.8	Confident	15 Å²	15	44 Å²	44	7%	0.07	23%	0.225	C	C	.	.			trans	-67	121.1	169	-170.8	173.4	-124.6	0	0	109.5	H251 R255 W390 Q394	E175-H251 HydrophobicContact CG-CB 3.99Å; E175-H251 IonicContact OE2-CD2 3.21Å; E175-H251 PolarHBondContact OE2-CD2 2.85Å; E175-H251 IonicContact OE2-CE1 2.89Å; E175-H251 IonicContact OE2-CG 2.77Å; E175-H251 VanDerWaalsContact OE2-CG 3.26Å; E175-H251 IonicContact OE2-ND1 3.78Å; E175-H251 PolarHBondContact OE2-ND1 2.98Å; E175-H251 IonicContact OE2-NE2 3.12Å; E175-R255 WeakPolarHBondContact O-CD 3.32Å; E175-R255 PolarHBondContact O-NH1 2.93Å; E175-W390 HydrophobicContact CB-CD2 3.84Å; E175-W390 HydrophobicContact CB-CG 3.85Å; E175-W390 HydrophobicContact CB-CZ2 4.49Å; E175-W390 HydrophobicContact CG-CG 4.18Å; E175-W390 VanDerWaalsContact N-NE1 3.14Å; E175-Q394 PolarHBondContact OE1-NE2 3.29Å; E175-Q394 PolarHBondContact OE1-OE1 3.32Å; E175-Q394 PolarHBondContact OE2-NE2 3.13Å
176	R	90.3	Very high	84.2	Confident	60 Å²	60	50 Å²	50	23%	0.226	24%	0.244	C	C	.	.			trans	-163.3	-179.8	-177.7	67.4	-178.2	-168.5	-173	1.9	110.2	D85 P174 T178 R255 W267	D85-R176 IonicContact OD1-NH2 3.3Å; P174-R176 PolarHBondContact O-N 3.48Å; R176-T178 WeakPolarHBondContact O-CG2 3.39Å; R176-T178 PolarHBondContact O-N 2.92Å; R176-R255 HydrophobicContact CB-CB 3.55Å; R176-W267 HydrophobicContact CB-CZ3 4.28Å; R176-W267 HydrophobicContact CG-CE3 4.43Å; R176-W267 HydrophobicContact CG-CH2 4.24Å; R176-W267 HydrophobicContact CG-CZ3 3.87Å
177	Y	90.1	Very high	84.7	Confident	51 Å²	51	49.7 Å²	49.7	20%	0.2	24%	0.243	C	C	.	.			trans	-58.6	130.5	174.6	177.2	-96.1	0	0	0	112.2	L252 R255 Y256 L257 W267	Y177-L252 HydrophobicContact CD2-CD1 4.49Å; Y177-R255 WeakPolarHBondContact CB-O 3.14Å; Y177-R255 PolarHBondContact N-O 3.26Å; Y177-Y256 AromaticContact CD2-CD2 3.78Å; Y177-Y256 HydrophobicContact CD2-CD2 3.78Å; Y177-Y256 AromaticContact CD2-CE2 3.44Å; Y177-Y256 HydrophobicContact CD2-CE2 3.44Å; Y177-Y256 VanDerWaalsContact CD2-CE2 3.44Å; Y177-Y256 AromaticContact CD2-CZ 3.97Å; Y177-Y256 HydrophobicContact CE2-CD2 4.33Å; Y177-Y256 AromaticContact CE2-CE2 3.54Å; Y177-Y256 HydrophobicContact CE2-CE2 3.54Å; Y177-Y256 AromaticContact CE2-CZ 3.67Å; Y177-Y256 HydrophobicContact CG-CD2 4.04Å; Y177-Y256 HydrophobicContact CG-CE2 4.07Å; Y177-Y256 HydrophobicContact CG-CG 4.43Å; Y177-Y256 AromaticContact CZ-CZ 3.93Å; Y177-L257 HydrophobicContact CD1-CB 4.08Å; Y177-W267 VanDerWaalsContact O-CH2 3.31Å; Y177-W267 WeakPolarHBondContact O-CH2 3.48Å; Y177-W267 WeakPolarHBondContact O-CZ3 3.41Å
178	T	86.3	Confident	85.2	Confident	14 Å²	14	47.3 Å²	47.3	9%	0.086	23%	0.234	C	C	.	.			trans	-121.3	-6.7	-180	61.1	0	0	0	0	113.7	R176 Y180 K386 C387	R176-T178 WeakPolarHBondContact O-CG2 3.39Å; R176-T178 PolarHBondContact O-N 2.92Å; T178-Y180 PolarHBondContact O-N 3.34Å; T178-Y180 WeakPolarHBondContact OG1-CB 3.48Å; T178-Y180 PolarHBondContact OG1-N 3.31Å; T178-K386 HydrophobicContact CG2-CB 4.32Å; T178-C387 PolarHBondContact OG1-SG 2.95Å
179	G	84.4	Confident	85.7	Confident	14 Å²	14	49.3 Å²	49.3	14%	0.144	24%	0.241	C	C	.	.			trans	76.7	0	-172	0	0	0	0	0	115	K181	G179-K181 WeakPolarHBondContact O-CG 3.5Å; G179-K181 PolarHBondContact O-N 2.76Å
180	Y	84.1	Confident	85.8	Confident	43 Å²	43	50.3 Å²	50.3	17%	0.169	25%	0.247	C	C	.	.			trans	-66.5	116.7	175.5	-172.6	-121.8	0	0	0	110.9	T178 E184 A185 V382 C384	T178-Y180 PolarHBondContact O-N 3.34Å; T178-Y180 WeakPolarHBondContact OG1-CB 3.48Å; T178-Y180 PolarHBondContact OG1-N 3.31Å; Y180-E184 HydrophobicContact CE2-CB 4.32Å; Y180-A185 HydrophobicContact CD1-CB 3.94Å; Y180-A185 HydrophobicContact CE1-CB 3.6Å; Y180-V382 HydrophobicContact CE1-CG1 4.08Å; Y180-C384 HydrophobicContact CD1-CB 4.27Å; Y180-C384 HydrophobicContact CD2-CB 3.93Å; Y180-C384 HydrophobicContact CG-CB 3.78Å
181	K	84.7	Confident	85.8	Confident	159 Å²	159	51 Å²	51	69%	0.691	25%	0.252	S	S	*	.			trans	-159.6	175.7	-172.5	67.5	-174.5	176.1	178.9	0	111.2	G179	G179-K181 WeakPolarHBondContact O-CG 3.5Å; G179-K181 PolarHBondContact O-N 2.76Å
182	G	85	Confident	86.1	Confident	15 Å²	15	47.5 Å²	47.5	16%	0.155	23%	0.234	C	C	.	.	S	Bend	trans	85.9	-164.3	172.3	0	0	0	0	0	113.7	E184 A185 W186	G182-E184 VanDerWaalsContact C-N 3.26Å; G182-E184 PolarHBondContact O-N 2.86Å; G182-E184 VanDerWaalsContact O-N 3.16Å; G182-A185 PolarHBondContact O-N 2.94Å; G182-A185 VanDerWaalsContact O-N 3.14Å; G182-W186 VanDerWaalsContact O-CG 3.26Å; G182-W186 PolarHBondContact O-N 2.8Å
183	P	81.8	Confident	86.2	Confident	97 Å²	97	44.9 Å²	44.9	63%	0.63	22%	0.218	S	C	*	.	H	α-helix	trans	-54.8	-36.1	-170.6	-28.7	36.1	0	0	0	114.7	W186 Q187	P183-W186 HydrophobicContact CB-CE3 4.46Å; P183-W186 HydrophobicContact CG-CE3 4.38Å; P183-W186 HydrophobicContact CG-CZ3 4.28Å; P183-W186 PolarHBondContact O-N 3.25Å; P183-Q187 WeakPolarHBondContact O-CB 3.49Å; P183-Q187 PolarHBondContact O-N 2.88Å
184	E	83.4	Confident	86.1	Confident	61 Å²	61	49.2 Å²	49.2	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-66.1	-46.6	179.1	-60.7	-173.1	-179.4	0	0	112.5	H80 Y180 G182 W186 Q187 I188	H80-E184 IonicContact CD2-OE2 2.98Å; H80-E184 PolarHBondContact CD2-OE2 2.86Å; H80-E184 IonicContact CE1-OE1 3.12Å; H80-E184 PolarHBondContact CE1-OE1 3.42Å; H80-E184 IonicContact CE1-OE2 2.73Å; H80-E184 PolarHBondContact CE1-OE2 3.45Å; H80-E184 IonicContact CG-OE2 2.76Å; H80-E184 IonicContact ND1-OE1 2.76Å; H80-E184 IonicContact ND1-OE2 3.49Å; H80-E184 IonicContact NE2-OE1 2.65Å; H80-E184 PolarHBondContact NE2-OE1 3.29Å; H80-E184 VanDerWaalsContact NE2-OE1 3.14Å; H80-E184 IonicContact NE2-OE2 3.23Å; H80-E184 PolarHBondContact NE2-OE2 3.11Å; Y180-E184 HydrophobicContact CE2-CB 4.32Å; G182-E184 VanDerWaalsContact C-N 3.26Å; G182-E184 PolarHBondContact O-N 2.86Å; G182-E184 VanDerWaalsContact O-N 3.16Å; E184-W186 VanDerWaalsContact C-N 3.27Å; E184-W186 PolarHBondContact O-N 3.05Å; E184-Q187 PolarHBondContact O-N 3.01Å; E184-I188 WeakPolarHBondContact O-CG1 3.34Å; E184-I188 PolarHBondContact O-N 3.05Å; E184-I188 VanDerWaalsContact O-N 3.13Å
185	A	85.9	Confident	85.7	Confident	11 Å²	11	49.9 Å²	49.9	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-37.1	176.6	0	0	0	0	0	111	Y180 G182 W189	Y180-A185 HydrophobicContact CD1-CB 3.94Å; Y180-A185 HydrophobicContact CE1-CB 3.6Å; G182-A185 PolarHBondContact O-N 2.94Å; G182-A185 VanDerWaalsContact O-N 3.14Å; A185-W189 VanDerWaalsContact O-CD1 3.27Å; A185-W189 PolarHBondContact O-N 3.06Å
186	W	85.9	Confident	84.6	Confident	146 Å²	146	50.2 Å²	50.2	55%	0.553	24%	0.24	S	C	*	.	H	α-helix	trans	-65.1	-46.8	175.6	-57.4	-23	0	0	0	111.3	G182 P183 E184 I188 W189 N190	G182-W186 VanDerWaalsContact O-CG 3.26Å; G182-W186 PolarHBondContact O-N 2.8Å; P183-W186 HydrophobicContact CB-CE3 4.46Å; P183-W186 HydrophobicContact CG-CE3 4.38Å; P183-W186 HydrophobicContact CG-CZ3 4.28Å; P183-W186 PolarHBondContact O-N 3.25Å; E184-W186 VanDerWaalsContact C-N 3.27Å; E184-W186 PolarHBondContact O-N 3.05Å; W186-I188 VanDerWaalsContact C-N 3.31Å; W186-I188 PolarHBondContact O-N 2.92Å; W186-W189 PolarHBondContact O-N 2.84Å; W186-N190 VanDerWaalsContact C-ND2 3.34Å; W186-N190 WeakPolarHBondContact O-CB 3.13Å; W186-N190 PolarHBondContact O-N 3.31Å; W186-N190 PolarHBondContact O-ND2 3.21Å
187	Q	86.3	Confident	83.3	Confident	81 Å²	81	52.1 Å²	52.1	38%	0.379	26%	0.261	S	S	.	.	H	α-helix	trans	-54.7	-46.9	177.9	-176.1	178.1	2.9	0	0	111.5	W75 P183 E184 W189 N190 S191	W75-Q187 HydrophobicContact CH2-CG 4.27Å; W75-Q187 HydrophobicContact CZ2-CG 4.17Å; P183-Q187 WeakPolarHBondContact O-CB 3.49Å; P183-Q187 PolarHBondContact O-N 2.88Å; E184-Q187 PolarHBondContact O-N 3.01Å; Q187-W189 PolarHBondContact O-N 3.22Å; Q187-N190 PolarHBondContact O-N 2.71Å; Q187-S191 PolarHBondContact O-N 3.38Å; Q187-S191 PolarHBondContact O-OG 2.47Å; Q187-S191 VanDerWaalsContact O-OG 3.07Å
188	I	88.9	Confident	81.7	Confident	9 Å²	9	51 Å²	51	5%	0.046	26%	0.258	C	S	.	.	H	α-helix	trans	-56.4	-53.3	176.1	-66	-70.6	0	0	0	111.2	W75 E184 W186 N190 S191 I192 I378 C381 V382	W75-I188 HydrophobicContact CH2-CD1 4.25Å; W75-I188 HydrophobicContact CZ2-CD1 3.68Å; E184-I188 WeakPolarHBondContact O-CG1 3.34Å; E184-I188 PolarHBondContact O-N 3.05Å; E184-I188 VanDerWaalsContact O-N 3.13Å; W186-I188 VanDerWaalsContact C-N 3.31Å; W186-I188 PolarHBondContact O-N 2.92Å; I188-N190 VanDerWaalsContact C-N 3.32Å; I188-N190 PolarHBondContact O-N 2.74Å; I188-S191 PolarHBondContact O-N 2.91Å; I188-I192 HydrophobicContact CG2-CD1 3.84Å; I188-I192 VanDerWaalsContact O-CG1 3.31Å; I188-I192 WeakPolarHBondContact O-CG1 3.39Å; I188-I192 PolarHBondContact O-N 3.11Å; I188-I378 HydrophobicContact CD1-CG2 4.07Å; I188-I378 HydrophobicContact CG2-CG2 4.18Å; I188-C381 HydrophobicContact CD1-CB 3.65Å; I188-V382 HydrophobicContact CD1-CG2 3.93Å; I188-V382 HydrophobicContact CG1-CG2 4.16Å; I188-V382 HydrophobicContact CG2-CG2 3.95Å
189	W	88.4	Confident	79.7	Confident	44 Å²	44	58 Å²	58	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-40	-179.2	-80.8	115.9	0	0	0	112.4	A185 W186 Q187 I192 Y193 I241 H245 I248	A185-W189 VanDerWaalsContact O-CD1 3.27Å; A185-W189 PolarHBondContact O-N 3.06Å; W186-W189 PolarHBondContact O-N 2.84Å; Q187-W189 PolarHBondContact O-N 3.22Å; W189-I192 HydrophobicContact CE3-CD1 4Å; W189-I192 HydrophobicContact CZ3-CD1 4.17Å; W189-I192 PolarHBondContact O-N 3.29Å; W189-Y193 HydrophobicContact CE3-CE2 4.01Å; W189-Y193 WeakPolarHBondContact O-CD2 3.29Å; W189-Y193 PolarHBondContact O-N 3.24Å; W189-I241 HydrophobicContact CZ3-CG2 4.09Å; W189-H245 AromaticContact CD1-CE1 3.69Å; W189-H245 AromaticContact CD1-NE2 3.89Å; W189-H245 AromaticContact CD2-CE1 3.69Å; W189-H245 AromaticContact CD2-CG 3.86Å; W189-H245 AromaticContact CD2-ND1 3.51Å; W189-H245 AromaticContact CE2-CD2 3.54Å; W189-H245 AromaticContact CE2-CE1 3.71Å; W189-H245 AromaticContact CE2-CG 3.62Å; W189-H245 AromaticContact CE2-ND1 3.7Å; W189-H245 AromaticContact CE2-NE2 3.67Å; W189-H245 HydrophobicContact CE3-CB 4.17Å; W189-H245 AromaticContact CE3-CG 3.99Å; W189-H245 AromaticContact CE3-ND1 3.74Å; W189-H245 AromaticContact CG-CE1 3.69Å; W189-H245 AromaticContact CG-ND1 3.93Å; W189-H245 HydrophobicContact CH2-CB 3.49Å; W189-H245 VanDerWaalsContact CH2-CB 3.49Å; W189-H245 AromaticContact CH2-CG 3.74Å; W189-H245 HydrophobicContact CZ2-CB 3.84Å; W189-H245 AromaticContact CZ2-CD2 3.52Å; W189-H245 AromaticContact CZ2-CG 3.57Å; W189-H245 HydrophobicContact CZ3-CB 3.67Å; W189-H245 AromaticContact CZ3-CG 3.94Å; W189-H245 AromaticContact NE1-CD2 3.79Å; W189-H245 AromaticContact NE1-CE1 3.67Å; W189-H245 AromaticContact NE1-NE2 3.48Å; W189-H245 PolarHBondContact NE1-NE2 2.77Å; W189-I248 HydrophobicContact CH2-CD1 3.83Å; W189-I248 HydrophobicContact CZ2-CD1 3.71Å
190	N	83.4	Confident	77.7	Confident	29 Å²	29	61.6 Å²	61.6	16%	0.155	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-48.1	177.4	-62.7	-34.7	0	0	0	110.8	W186 Q187 I188 I192 Y193 E194 M208	W186-N190 VanDerWaalsContact C-ND2 3.34Å; W186-N190 WeakPolarHBondContact O-CB 3.13Å; W186-N190 PolarHBondContact O-N 3.31Å; W186-N190 PolarHBondContact O-ND2 3.21Å; Q187-N190 PolarHBondContact O-N 2.71Å; I188-N190 VanDerWaalsContact C-N 3.32Å; I188-N190 PolarHBondContact O-N 2.74Å; N190-I192 VanDerWaalsContact C-N 3.32Å; N190-I192 PolarHBondContact O-N 3.48Å; N190-Y193 PolarHBondContact O-N 3.48Å; N190-E194 WeakPolarHBondContact O-CB 3.4Å; N190-E194 WeakPolarHBondContact O-CG 3.37Å; N190-E194 PolarHBondContact O-N 2.84Å; N190-M208 HydrophobicContact CB-CE 4.2Å; N190-M208 WeakPolarHBondContact ND2-CE 3.45Å; N190-M208 WeakPolarHBondContact OD1-CE 3.28Å; N190-M208 PolarHBondContact OD1-SD 2.76Å
191	S	86.8	Confident	75.9	Confident	20 Å²	20	69.9 Å²	69.9	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-42.1	176.3	-58.6	0	0	0	0	111.8	Q187 I188 Y193 E194 E195	Q187-S191 PolarHBondContact O-N 3.38Å; Q187-S191 PolarHBondContact O-OG 2.47Å; Q187-S191 VanDerWaalsContact O-OG 3.07Å; I188-S191 PolarHBondContact O-N 2.91Å; S191-Y193 PolarHBondContact O-N 2.79Å; S191-E194 PolarHBondContact O-N 2.97Å; S191-E195 PolarHBondContact O-N 2.82Å
192	I	87.2	Confident	73.8	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-61.5	-45.3	176	-65.9	167	0	0	0	111.4	I188 W189 N190 E194 E195 I241 I375 I378 M379	I188-I192 HydrophobicContact CG2-CD1 3.84Å; I188-I192 VanDerWaalsContact O-CG1 3.31Å; I188-I192 WeakPolarHBondContact O-CG1 3.39Å; I188-I192 PolarHBondContact O-N 3.11Å; W189-I192 HydrophobicContact CE3-CD1 4Å; W189-I192 HydrophobicContact CZ3-CD1 4.17Å; W189-I192 PolarHBondContact O-N 3.29Å; N190-I192 VanDerWaalsContact C-N 3.32Å; N190-I192 PolarHBondContact O-N 3.48Å; I192-E194 VanDerWaalsContact C-N 3.26Å; I192-E194 PolarHBondContact O-N 3.45Å; I192-E195 WeakPolarHBondContact O-CB 3.35Å; I192-E195 PolarHBondContact O-N 2.96Å; I192-I241 HydrophobicContact CG2-CD1 4.16Å; I192-I241 HydrophobicContact CG2-CG1 4.38Å; I192-I241 HydrophobicContact CG2-CG2 3.61Å; I192-I375 HydrophobicContact CG1-CG2 4.4Å; I192-I375 HydrophobicContact CG2-CD1 4Å; I192-I375 HydrophobicContact CG2-CG1 4.07Å; I192-I378 HydrophobicContact CG1-CD1 4.3Å; I192-I378 HydrophobicContact CG1-CG2 3.99Å; I192-M379 HydrophobicContact CD1-CE 3.56Å
193	Y	82.8	Confident	72	Confident	32 Å²	32	71.1 Å²	71.1	13%	0.125	36%	0.363	C	S	.	.	H	α-helix	trans	-71.7	-20.7	178.4	-78.9	-69.3	0	0	0	113.4	W189 N190 S191 E195 R205 Y238 I241 S242 H245	W189-Y193 HydrophobicContact CE3-CE2 4.01Å; W189-Y193 WeakPolarHBondContact O-CD2 3.29Å; W189-Y193 PolarHBondContact O-N 3.24Å; N190-Y193 PolarHBondContact O-N 3.48Å; S191-Y193 PolarHBondContact O-N 2.79Å; Y193-E195 VanDerWaalsContact C-N 3.33Å; Y193-R205 PolarHBondContact O-NH1 3.41Å; Y193-Y238 AromaticContact CD1-CD2 3.8Å; Y193-Y238 HydrophobicContact CD1-CD2 3.8Å; Y193-Y238 AromaticContact CD1-CE2 3.93Å; Y193-Y238 HydrophobicContact CD1-CE2 3.93Å; Y193-Y238 AromaticContact CE1-CD2 3.74Å; Y193-Y238 HydrophobicContact CE1-CD2 3.74Å; Y193-Y238 AromaticContact CE1-CE2 3.65Å; Y193-Y238 HydrophobicContact CE1-CE2 3.65Å; Y193-I241 HydrophobicContact CD1-CB 4.44Å; Y193-I241 HydrophobicContact CD1-CG2 3.92Å; Y193-I241 HydrophobicContact CE1-CB 4Å; Y193-I241 HydrophobicContact CE1-CG2 3.54Å; Y193-I241 HydrophobicContact CE2-CG2 4.21Å; Y193-I241 HydrophobicContact CG-CG2 4.43Å; Y193-S242 VanDerWaalsContact OH-CA 3.24Å; Y193-S242 WeakPolarHBondContact OH-CA 3.32Å; Y193-H245 AromaticContact CE2-ND1 3.96Å
194	E	81.9	Confident	70.3	Confident	94 Å²	94	75.8 Å²	75.8	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-77.1	-19.5	174.9	-76	167.1	-178.2	0	0	112.4	N190 S191 I192 N196 C197	N190-E194 WeakPolarHBondContact O-CB 3.4Å; N190-E194 WeakPolarHBondContact O-CG 3.37Å; N190-E194 PolarHBondContact O-N 2.84Å; S191-E194 PolarHBondContact O-N 2.97Å; I192-E194 VanDerWaalsContact C-N 3.26Å; I192-E194 PolarHBondContact O-N 3.45Å; E194-N196 PolarHBondContact O-N 2.65Å; E194-N196 VanDerWaalsContact O-N 3.14Å; E194-C197 PolarHBondContact O-SG 3.27Å
195	E	80.8	Confident	68.5	Low	49 Å²	49	76.4 Å²	76.4	23%	0.229	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.2	172.2	-66.6	-60.3	140.2	0	0	113.8	S191 I192 Y193 C197 F237 A371 N374 I375 I378	S191-E195 PolarHBondContact O-N 2.82Å; I192-E195 WeakPolarHBondContact O-CB 3.35Å; I192-E195 PolarHBondContact O-N 2.96Å; Y193-E195 VanDerWaalsContact C-N 3.33Å; E195-C197 PolarHBondContact O-N 3.3Å; E195-F237 HydrophobicContact CB-CZ 4.42Å; E195-A371 HydrophobicContact CB-CB 4.42Å; E195-N374 VanDerWaalsContact CD-CB 3.5Å; E195-N374 HydrophobicContact CG-CB 4.21Å; E195-N374 WeakPolarHBondContact OE2-CB 3.48Å; E195-N374 PolarHBondContact OE2-ND2 3.17Å; E195-I375 HydrophobicContact CB-CG1 4.45Å; E195-I375 HydrophobicContact CG-CG1 4.18Å; E195-I378 HydrophobicContact CG-CD1 3.98Å
196	N	68.9	Low	66.9	Low	23 Å²	23	78.2 Å²	78.2	12%	0.123	38%	0.384	C	S	.	.			trans	-73.1	27.4	177.4	-162.6	9	0	0	0	114	E194 F198 K234 F237	E194-N196 PolarHBondContact O-N 2.65Å; E194-N196 VanDerWaalsContact O-N 3.14Å; N196-F198 PolarHBondContact O-N 3.33Å; N196-F198 WeakPolarHBondContact OD1-CE2 3.39Å; N196-K234 PolarHBondContact ND2-O 3.35Å; N196-K234 WeakPolarHBondContact OD1-CA 3.49Å; N196-K234 PolarHBondContact OD1-O 2.93Å; N196-F237 HydrophobicContact CB-CD1 3.62Å; N196-F237 HydrophobicContact CB-CE1 3.86Å; N196-F237 VanDerWaalsContact CG-CD1 3.49Å
197	C	61.6	Low	64.8	Low	99 Å²	99	78.1 Å²	78.1	67%	0.669	39%	0.393	S	S	*	.			trans	-101.1	70.3	-172.4	-72.4	0	0	0	0	112.6	E194 E195 K199	E194-C197 PolarHBondContact O-SG 3.27Å; E195-C197 PolarHBondContact O-N 3.3Å; C197-K199 PolarHBondContact O-N 2.86Å
198	F	56.6	Low	63.1	Low	29 Å²	29	77.1 Å²	77.1	13%	0.127	39%	0.39	C	S	.	.			trans	-76.8	4.7	-173.2	-59.5	-57.8	0	0	0	117.4	N196 K234 F237 D367 I368 A371	N196-F198 PolarHBondContact O-N 3.33Å; N196-F198 WeakPolarHBondContact OD1-CE2 3.39Å; F198-K234 HydrophobicContact CD2-CG 4Å; F198-F237 HydrophobicContact CE2-CB 4.02Å; F198-F237 HydrophobicContact CE2-CD2 4.39Å; F198-F237 HydrophobicContact CE2-CG 4.11Å; F198-F237 HydrophobicContact CZ-CB 4.43Å; F198-F237 AromaticContact CZ-CD2 3.97Å; F198-F237 HydrophobicContact CZ-CD2 3.97Å; F198-F237 HydrophobicContact CZ-CE2 4.34Å; F198-F237 HydrophobicContact CZ-CG 4.12Å; F198-D367 HydrophobicContact CD1-CB 3.5Å; F198-D367 HydrophobicContact CE1-CB 3.85Å; F198-D367 WeakPolarHBondContact CE1-O 3.4Å; F198-D367 HydrophobicContact CG-CB 4.31Å; F198-I368 HydrophobicContact CZ-CG1 4.18Å; F198-A371 HydrophobicContact CE1-CB 4.01Å; F198-A371 HydrophobicContact CZ-CB 4.2Å
199	K	45.7	Very low	60.9	Low	161 Å²	161	79 Å²	79	70%	0.7	40%	0.403	S	S	*	.	S	Bend	trans	-173.4	166.5	165.9	-84.7	-137.9	-175.5	169.4	0	112	C197	C197-K199 PolarHBondContact O-N 2.86Å
200	P	42.4	Very low	58.5	Low	89 Å²	89	80.3 Å²	80.3	58%	0.578	42%	0.418	S	S	*	.			trans	-66.5	162.4	-133.5	35	-37.5	0	0	0	115.2	T202	P200-T202 PolarHBondContact O-N 3.01Å; P200-T202 PolarHBondContact O-OG1 2.83Å
201	F	45.8	Very low	56.6	Low	216 Å²	216	82.1 Å²	82.1	95%	0.947	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	11.6	-179.2	-59.1	-85.6	0	0	0	118.8
202	T	40.1	Very low	54.5	Low	118 Å²	118	85.5 Å²	85.5	72%	0.724	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-19.4	-176.8	54.9	0	0	0	0	113.7	P200	P200-T202 PolarHBondContact O-N 3.01Å; P200-T202 PolarHBondContact O-OG1 2.83Å
203	V	48.1	Very low	52.3	Low	82 Å²	82	94.5 Å²	94.5	50%	0.497	49%	0.488	S	S	.	.	S	Bend	trans	-95.2	100.2	176.3	-174.3	0	0	0	0	109.4	R205 W226	V203-R205 PolarHBondContact O-N 3.37Å; V203-R205 VanDerWaalsContact O-N 3.08Å; V203-W226 HydrophobicContact CG1-CZ2 4.41Å
204	K	44.7	Very low	50.4	Low	196 Å²	196	99 Å²	99	85%	0.852	52%	0.524	S	S	*	.			trans	-64.9	109.1	173.2	-72.4	-174	178	-178.2	0	109.5
205	R	46.1	Very low	48.2	Very low	73 Å²	73	96.7 Å²	96.7	28%	0.275	52%	0.518	S	S	.	.			trans	-67.7	138.1	171.2	-172.3	-173.4	175.2	169.1	4.7	109.6	Y193 V203 L207 W226	Y193-R205 PolarHBondContact O-NH1 3.41Å; V203-R205 PolarHBondContact O-N 3.37Å; V203-R205 VanDerWaalsContact O-N 3.08Å; R205-L207 PolarHBondContact O-N 2.85Å; R205-L207 VanDerWaalsContact O-N 3.15Å; R205-W226 HydrophobicContact CB-CZ2 4.43Å; R205-W226 HydrophobicContact CG-CH2 4.07Å; R205-W226 HydrophobicContact CG-CZ2 4.26Å; R205-W226 HydrophobicContact CG-CZ3 4.35Å
206	P	51.6	Low	46.4	Very low	50 Å²	50	98.4 Å²	98.4	33%	0.325	54%	0.535	S	S	.	.			trans	-62.8	112.6	160.6	-13.5	27.3	0	0	0	108.3	M208	P206-M208 PolarHBondContact O-N 3.43Å
207	L	42.5	Very low	45.3	Very low	143 Å²	143	99.4 Å²	99.4	75%	0.749	55%	0.551	S	S	*	*			trans	-63.7	120.4	-179.4	-71.8	163.8	0	0	0	110.1	R205	R205-L207 PolarHBondContact O-N 2.85Å; R205-L207 VanDerWaalsContact O-N 3.15Å
208	M	50.1	Low	44.7	Very low	61 Å²	61	97.9 Å²	97.9	30%	0.3	54%	0.541	S	S	.	.			trans	67.2	133.9	165.1	-68.5	-127.1	-160.4	0	0	122.6	N190 P206 S210	N190-M208 HydrophobicContact CB-CE 4.2Å; N190-M208 WeakPolarHBondContact ND2-CE 3.45Å; N190-M208 WeakPolarHBondContact OD1-CE 3.28Å; N190-M208 PolarHBondContact OD1-SD 2.76Å; P206-M208 PolarHBondContact O-N 3.43Å; M208-S210 PolarHBondContact SD-OG 2.98Å
209	P	42.8	Very low	44.2	Very low	49 Å²	49	100.9 Å²	100.9	32%	0.318	56%	0.556	S	S	.	*	S	Bend	trans	-91.9	-11.7	153.3	-8.5	27.1	0	0	0	114.9	F223	P209-F223 HydrophobicContact CG-CD1 3.76Å; P209-F223 HydrophobicContact CG-CD2 4.4Å; P209-F223 HydrophobicContact CG-CE1 3.95Å; P209-F223 HydrophobicContact CG-CG 4.01Å; P209-F223 HydrophobicContact CG-CZ 4.37Å
210	S	39.4	Very low	44.2	Very low	70 Å²	70	94.8 Å²	94.8	49%	0.49	54%	0.536	S	S	.	.	S	Bend	trans	-98.7	-4	-166.4	23.4	0	0	0	0	115.6	M208	M208-S210 PolarHBondContact SD-OG 2.98Å
211	S	42	Very low	44.7	Very low	68 Å²	68	99.9 Å²	99.9	48%	0.476	54%	0.543	S	S	.	.			trans	-106.4	45.6	-177.6	58.6	0	0	0	0	113.1
212	F	44.5	Very low	45.1	Very low	90 Å²	90	93.3 Å²	93.3	40%	0.395	52%	0.521	S	S	.	.			trans	-138.3	74.1	-179.9	-62.7	-65.1	0	0	0	113	S214 S215 E219	F212-S214 PolarHBondContact O-N 2.78Å; F212-S214 VanDerWaalsContact O-N 3.13Å; F212-S215 WeakPolarHBondContact CD1-OG 3.47Å; F212-S215 WeakPolarHBondContact CE1-OG 3.32Å; F212-S215 WeakPolarHBondContact CG-OG 3.26Å; F212-E219 WeakPolarHBondContact CE1-OE2 3.19Å; F212-E219 WeakPolarHBondContact CZ-OE2 3.25Å
213	Q	41	Very low	46	Very low	193 Å²	193	87.8 Å²	87.8	90%	0.902	49%	0.487	S	S	*	.	S	Bend	trans	-63.3	101.1	133.9	-70.8	176.5	-5.2	0	0	105.2
214	S	41.4	Very low	46.4	Very low	127 Å²	127	85 Å²	85	89%	0.888	47%	0.467	S	S	*	.	S	Bend	trans	88.2	31.2	165.4	89.3	0	0	0	0	122.6	F212	F212-S214 PolarHBondContact O-N 2.78Å; F212-S214 VanDerWaalsContact O-N 3.13Å
215	S	36.7	Very low	46.9	Very low	45 Å²	45	79.2 Å²	79.2	32%	0.315	45%	0.452	S	S	.	.			trans	-109.9	144.2	161.7	88.7	0	0	0	0	113.1	F212 E219	F212-S215 WeakPolarHBondContact CD1-OG 3.47Å; F212-S215 WeakPolarHBondContact CE1-OG 3.32Å; F212-S215 WeakPolarHBondContact CG-OG 3.26Å; S215-E219 PolarHBondContact OG-OE2 3.49Å
216	S	42.7	Very low	47.4	Very low	85 Å²	85	78.8 Å²	78.8	59%	0.594	45%	0.45	S	S	*	.			trans	-55.7	141.4	-175.3	48.7	0	0	0	0	112.8	S218 E219	S216-S218 PolarHBondContact O-N 3.44Å; S216-S218 PolarHBondContact O-OG 3.16Å; S216-E219 PolarHBondContact O-N 2.61Å
217	G	46.3	Very low	47.6	Very low	43 Å²	43	77 Å²	77	44%	0.443	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	13	-177.3	0	0	0	0	0	118.2	R221	G217-R221 WeakPolarHBondContact O-CG 3.5Å
218	S	47.7	Very low	48.2	Very low	68 Å²	68	76.6 Å²	76.6	48%	0.476	43%	0.432	S	S	.	.	H	α-helix	trans	-74.4	-37.2	170.6	56.7	0	0	0	0	112.6	S216 T222	S216-S218 PolarHBondContact O-N 3.44Å; S216-S218 PolarHBondContact O-OG 3.16Å; S218-T222 WeakPolarHBondContact O-CB 3.41Å; S218-T222 PolarHBondContact O-N 3.43Å; S218-T222 PolarHBondContact O-OG1 3.09Å
219	E	46.8	Very low	48.1	Very low	92 Å²	92	76.7 Å²	76.7	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-75.7	-40.4	-173	-68.7	178.5	153.2	0	0	112.6	F212 S215 S216 T222 F223	F212-E219 WeakPolarHBondContact CE1-OE2 3.19Å; F212-E219 WeakPolarHBondContact CZ-OE2 3.25Å; S215-E219 PolarHBondContact OG-OE2 3.49Å; S216-E219 PolarHBondContact O-N 2.61Å; E219-T222 WeakPolarHBondContact O-CB 3.43Å; E219-T222 PolarHBondContact O-N 2.59Å; E219-T222 VanDerWaalsContact O-N 3.16Å; E219-F223 PolarHBondContact O-N 2.94Å
220	A	46.4	Very low	48.7	Very low	33 Å²	33	76 Å²	76	27%	0.273	44%	0.441	S	S	.	.	H	α-helix	trans	-63.7	-41.6	174.2	0	0	0	0	0	112.2	T222 F223 Y224	A220-T222 VanDerWaalsContact C-N 3.28Å; A220-T222 PolarHBondContact O-N 3.37Å; A220-F223 PolarHBondContact O-N 2.94Å; A220-Y224 WeakPolarHBondContact O-CD2 3.33Å; A220-Y224 PolarHBondContact O-N 3.31Å
221	R	52.4	Low	49.6	Very low	196 Å²	196	76.4 Å²	76.4	74%	0.74	44%	0.443	S	S	*	.	H	α-helix	trans	-61.5	-38.3	172.6	-71.4	-178.3	-164.4	174.2	4.9	111.9	G217 F223 Y224 S225	G217-R221 WeakPolarHBondContact O-CG 3.5Å; R221-F223 VanDerWaalsContact C-N 3.32Å; R221-F223 PolarHBondContact O-N 2.62Å; R221-Y224 PolarHBondContact O-N 2.99Å; R221-S225 VanDerWaalsContact O-CB 3.24Å; R221-S225 WeakPolarHBondContact O-CB 3.28Å; R221-S225 PolarHBondContact O-N 3.15Å
222	T	54.3	Low	50.5	Low	77 Å²	77	76.5 Å²	76.5	47%	0.472	44%	0.44	S	S	.	.	H	α-helix	trans	-64.7	-37.1	177.1	-54.3	0	0	0	0	111.3	S218 E219 A220 W226	S218-T222 WeakPolarHBondContact O-CB 3.41Å; S218-T222 PolarHBondContact O-N 3.43Å; S218-T222 PolarHBondContact O-OG1 3.09Å; E219-T222 WeakPolarHBondContact O-CB 3.43Å; E219-T222 PolarHBondContact O-N 2.59Å; E219-T222 VanDerWaalsContact O-N 3.16Å; A220-T222 VanDerWaalsContact C-N 3.28Å; A220-T222 PolarHBondContact O-N 3.37Å; T222-W226 WeakPolarHBondContact O-CB 3.18Å; T222-W226 PolarHBondContact O-N 3.35Å
223	F	59.3	Low	51.1	Low	3 Å²	3	75 Å²	75	1%	0.013	44%	0.435	C	S	.	.	H	α-helix	trans	-65.8	-46.9	175.6	177.7	-100.3	0	0	0	113.1	P209 E219 A220 R221 W226 L227 Y238	P209-F223 HydrophobicContact CG-CD1 3.76Å; P209-F223 HydrophobicContact CG-CD2 4.4Å; P209-F223 HydrophobicContact CG-CE1 3.95Å; P209-F223 HydrophobicContact CG-CG 4.01Å; P209-F223 HydrophobicContact CG-CZ 4.37Å; E219-F223 PolarHBondContact O-N 2.94Å; A220-F223 PolarHBondContact O-N 2.94Å; R221-F223 VanDerWaalsContact C-N 3.32Å; R221-F223 PolarHBondContact O-N 2.62Å; F223-W226 HydrophobicContact CD2-CE3 4.26Å; F223-W226 HydrophobicContact CE2-CE3 4.06Å; F223-W226 HydrophobicContact CE2-CZ3 4.01Å; F223-W226 WeakPolarHBondContact O-CB 3.21Å; F223-W226 PolarHBondContact O-N 2.69Å; F223-L227 HydrophobicContact CE1-CD1 4.35Å; F223-L227 HydrophobicContact CZ-CD1 4.15Å; F223-L227 WeakPolarHBondContact O-CB 3.12Å; F223-L227 PolarHBondContact O-N 3.04Å; F223-Y238 AromaticContact CE1-CE2 3.95Å; F223-Y238 HydrophobicContact CE1-CE2 3.95Å; F223-Y238 AromaticContact CE1-CZ 3.96Å; F223-Y238 HydrophobicContact CZ-CD2 4.5Å; F223-Y238 AromaticContact CZ-CE2 3.97Å; F223-Y238 HydrophobicContact CZ-CE2 3.97Å
224	Y	55.8	Low	52.3	Low	23 Å²	23	67.6 Å²	67.6	9%	0.09	40%	0.399	C	S	.	.	H	α-helix	trans	-70.9	-37.1	178.1	-76.4	-80.5	0	0	0	113	A220 R221 W226 L227 E228 Y238 E286 K289	A220-Y224 WeakPolarHBondContact O-CD2 3.33Å; A220-Y224 PolarHBondContact O-N 3.31Å; R221-Y224 PolarHBondContact O-N 2.99Å; Y224-W226 VanDerWaalsContact C-N 3.3Å; Y224-W226 PolarHBondContact O-N 3.02Å; Y224-L227 WeakPolarHBondContact O-CB 3.42Å; Y224-L227 PolarHBondContact O-N 3.41Å; Y224-L227 VanDerWaalsContact O-N 3.14Å; Y224-E228 WeakPolarHBondContact O-CG 2.98Å; Y224-E228 PolarHBondContact O-N 3.43Å; Y224-Y238 HydrophobicContact CE1-CE1 4.12Å; Y224-Y238 PolarHBondContact OH-OH 2.87Å; Y224-E286 WeakPolarHBondContact CE2-OE1 3.5Å; Y224-E286 WeakPolarHBondContact CE2-OE2 3.39Å; Y224-E286 PolarHBondContact OH-OE2 2.87Å; Y224-K289 HydrophobicContact CE1-CD 4.24Å
225	S	55.1	Low	53.7	Low	75 Å²	75	64.9 Å²	64.9	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-38.4	171.3	178	0	0	0	0	111.7	R221 G229	R221-S225 VanDerWaalsContact O-CB 3.24Å; R221-S225 WeakPolarHBondContact O-CB 3.28Å; R221-S225 PolarHBondContact O-N 3.15Å; S225-G229 PolarHBondContact O-N 3.35Å
226	W	57.8	Low	55.5	Low	64 Å²	64	63.2 Å²	63.2	24%	0.242	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-39.3	171.6	172.3	86.6	0	0	0	112.4	V203 R205 T222 F223 Y224 G229 Q230	V203-W226 HydrophobicContact CG1-CZ2 4.41Å; R205-W226 HydrophobicContact CB-CZ2 4.43Å; R205-W226 HydrophobicContact CG-CH2 4.07Å; R205-W226 HydrophobicContact CG-CZ2 4.26Å; R205-W226 HydrophobicContact CG-CZ3 4.35Å; T222-W226 WeakPolarHBondContact O-CB 3.18Å; T222-W226 PolarHBondContact O-N 3.35Å; F223-W226 HydrophobicContact CD2-CE3 4.26Å; F223-W226 HydrophobicContact CE2-CE3 4.06Å; F223-W226 HydrophobicContact CE2-CZ3 4.01Å; F223-W226 WeakPolarHBondContact O-CB 3.21Å; F223-W226 PolarHBondContact O-N 2.69Å; Y224-W226 VanDerWaalsContact C-N 3.3Å; Y224-W226 PolarHBondContact O-N 3.02Å; W226-G229 CarbonylContact O-C 3.57Å; W226-G229 PolarHBondContact O-N 2.84Å; W226-Q230 HydrophobicContact CD2-CG 4.41Å; W226-Q230 HydrophobicContact CE3-CG 4.37Å; W226-Q230 HydrophobicContact CH2-CG 4.08Å; W226-Q230 HydrophobicContact CZ2-CG 4.12Å; W226-Q230 HydrophobicContact CZ3-CG 4.2Å; W226-Q230 WeakPolarHBondContact O-CG 3.21Å; W226-Q230 PolarHBondContact O-N 2.79Å; W226-Q230 PolarHBondContact O-NE2 3.18Å
227	L	55.7	Low	57.4	Low	12 Å²	12	59.3 Å²	59.3	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-67	-39.2	177.5	-167.9	111.9	0	0	0	112	F223 Y224 G229 Q230 R235 Y238	F223-L227 HydrophobicContact CE1-CD1 4.35Å; F223-L227 HydrophobicContact CZ-CD1 4.15Å; F223-L227 WeakPolarHBondContact O-CB 3.12Å; F223-L227 PolarHBondContact O-N 3.04Å; Y224-L227 WeakPolarHBondContact O-CB 3.42Å; Y224-L227 PolarHBondContact O-N 3.41Å; Y224-L227 VanDerWaalsContact O-N 3.14Å; L227-G229 PolarHBondContact O-N 3.22Å; L227-Q230 WeakPolarHBondContact O-CB 3.24Å; L227-Q230 PolarHBondContact O-N 3.1Å; L227-Q230 VanDerWaalsContact O-N 3.13Å; L227-R235 HydrophobicContact CD2-CG 4.17Å; L227-Y238 HydrophobicContact CD1-CD1 3.69Å; L227-Y238 HydrophobicContact CD1-CD2 3.93Å; L227-Y238 HydrophobicContact CD1-CE1 4.19Å; L227-Y238 HydrophobicContact CD1-CE2 4.41Å; L227-Y238 HydrophobicContact CD1-CG 3.54Å; L227-Y238 HydrophobicContact CD2-CD1 3.79Å; L227-Y238 HydrophobicContact CD2-CE1 4.18Å; L227-Y238 HydrophobicContact CD2-CG 4.45Å; L227-Y238 HydrophobicContact CG-CD1 4.41Å
228	E	54.4	Low	59.2	Low	135 Å²	135	58 Å²	58	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-63.7	-28.3	172.2	-75.5	168.9	-168.2	0	0	112.1	Y224 Q230	Y224-E228 WeakPolarHBondContact O-CG 2.98Å; Y224-E228 PolarHBondContact O-N 3.43Å; E228-Q230 VanDerWaalsContact C-N 3.35Å
229	G	48.8	Very low	61	Low	62 Å²	62	55.6 Å²	55.6	64%	0.639	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	3.3	173	0	0	0	0	0	115.4	S225 W226 L227	S225-G229 PolarHBondContact O-N 3.35Å; W226-G229 CarbonylContact O-C 3.57Å; W226-G229 PolarHBondContact O-N 2.84Å; L227-G229 PolarHBondContact O-N 3.22Å
230	Q	55.2	Low	63	Low	36 Å²	36	51.6 Å²	51.6	17%	0.168	28%	0.275	C	S	.	.	S	Bend	trans	-89.6	162.4	173.3	-64.6	-52.3	-64.2	0	0	111.9	W226 L227 E228 K234	W226-Q230 HydrophobicContact CD2-CG 4.41Å; W226-Q230 HydrophobicContact CE3-CG 4.37Å; W226-Q230 HydrophobicContact CH2-CG 4.08Å; W226-Q230 HydrophobicContact CZ2-CG 4.12Å; W226-Q230 HydrophobicContact CZ3-CG 4.2Å; W226-Q230 WeakPolarHBondContact O-CG 3.21Å; W226-Q230 PolarHBondContact O-N 2.79Å; W226-Q230 PolarHBondContact O-NE2 3.18Å; L227-Q230 WeakPolarHBondContact O-CB 3.24Å; L227-Q230 PolarHBondContact O-N 3.1Å; L227-Q230 VanDerWaalsContact O-N 3.13Å; E228-Q230 VanDerWaalsContact C-N 3.35Å; Q230-K234 HydrophobicContact CB-CB 4.08Å; Q230-K234 HydrophobicContact CB-CD 4.13Å; Q230-K234 HydrophobicContact CG-CD 4.35Å
231	C	57.8	Low	65.2	Low	77 Å²	77	50.1 Å²	50.1	52%	0.52	26%	0.262	S	S	.	.			trans	-56.5	148.8	171	-49.2	0	0	0	0	111.2	E233 K234 R235	C231-E233 WeakPolarHBondContact CB-OE2 3.37Å; C231-E233 PolarHBondContact O-N 3.49Å; C231-E233 VanDerWaalsContact O-N 3.13Å; C231-K234 PolarHBondContact O-N 3.01Å; C231-K234 VanDerWaalsContact O-N 3.07Å; C231-R235 PolarHBondContact O-N 3Å
232	V	60.1	Low	67.1	Low	71 Å²	71	40.9 Å²	40.9	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-57.4	-33.5	-171.9	-178.3	0	0	0	0	112	R235 A236 S352 L353	V232-R235 WeakPolarHBondContact O-CB 3.49Å; V232-R235 PolarHBondContact O-N 3.44Å; V232-A236 PolarHBondContact O-N 3.44Å; V232-S352 WeakPolarHBondContact CG1-O 3.39Å; V232-L353 HydrophobicContact CG1-CD1 4.24Å
233	E	58.6	Low	69.1	Low	59 Å²	59	37.2 Å²	37.2	28%	0.276	21%	0.205	S	C	.	.	H	α-helix	trans	-67.3	-39.6	-179.4	-54.5	81.8	177.5	0	0	112.4	C231 R235 A236 F237 L364	C231-E233 WeakPolarHBondContact CB-OE2 3.37Å; C231-E233 PolarHBondContact O-N 3.49Å; C231-E233 VanDerWaalsContact O-N 3.13Å; E233-R235 VanDerWaalsContact C-N 3.33Å; E233-A236 WeakPolarHBondContact O-CB 3.13Å; E233-A236 PolarHBondContact O-N 3.4Å; E233-F237 PolarHBondContact O-N 3.28Å; E233-L364 HydrophobicContact CB-CD1 3.59Å; E233-L364 HydrophobicContact CB-CD2 4.21Å; E233-L364 HydrophobicContact CG-CD1 3.68Å; E233-L364 HydrophobicContact CG-CD2 3.46Å; E233-L364 VanDerWaalsContact CG-CD2 3.46Å; E233-L364 HydrophobicContact CG-CG 4.15Å
234	K	65.3	Low	70.8	Confident	37 Å²	37	37.4 Å²	37.4	16%	0.161	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-36.9	175.7	-71	-177.5	-179.7	-176.5	0	111.3	N196 F198 Q230 C231 Y238	N196-K234 PolarHBondContact ND2-O 3.35Å; N196-K234 WeakPolarHBondContact OD1-CA 3.49Å; N196-K234 PolarHBondContact OD1-O 2.93Å; F198-K234 HydrophobicContact CD2-CG 4Å; Q230-K234 HydrophobicContact CB-CB 4.08Å; Q230-K234 HydrophobicContact CB-CD 4.13Å; Q230-K234 HydrophobicContact CG-CD 4.35Å; C231-K234 PolarHBondContact O-N 3.01Å; C231-K234 VanDerWaalsContact O-N 3.07Å; K234-Y238 WeakPolarHBondContact O-CB 3.33Å; K234-Y238 PolarHBondContact O-N 3.26Å; K234-Y238 VanDerWaalsContact O-N 3.09Å
235	R	70.6	Confident	72.8	Confident	70 Å²	70	38.2 Å²	38.2	26%	0.264	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-42.4	173.6	177.5	176.4	163.3	169.3	-5.2	110	D32 L227 C231 V232 E233 Y238 R239	D32-R235 IonicContact OD1-CZ 3.83Å; D32-R235 IonicContact OD1-NH2 3.91Å; D32-R235 PolarHBondContact OD1-NH2 3.17Å; D32-R235 IonicContact OD2-CZ 3.87Å; D32-R235 IonicContact OD2-NE 3.55Å; D32-R235 PolarHBondContact OD2-NE 3.18Å; D32-R235 IonicContact OD2-NH2 2.88Å; D32-R235 PolarHBondContact OD2-NH2 3.06Å; L227-R235 HydrophobicContact CD2-CG 4.17Å; C231-R235 PolarHBondContact O-N 3Å; V232-R235 WeakPolarHBondContact O-CB 3.49Å; V232-R235 PolarHBondContact O-N 3.44Å; E233-R235 VanDerWaalsContact C-N 3.33Å; R235-Y238 PolarHBondContact O-N 3.36Å; R235-R239 VanDerWaalsContact O-CG 3.22Å; R235-R239 WeakPolarHBondContact O-CG 3.29Å; R235-R239 PolarHBondContact O-N 2.8Å
236	A	75.3	Confident	74.8	Confident	9 Å²	9	34.8 Å²	34.8	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-53.1	175.7	0	0	0	0	0	111.7	V232 E233 Y238 R239 L240 L353	V232-A236 PolarHBondContact O-N 3.44Å; E233-A236 WeakPolarHBondContact O-CB 3.13Å; E233-A236 PolarHBondContact O-N 3.4Å; A236-Y238 VanDerWaalsContact C-N 3.35Å; A236-Y238 PolarHBondContact O-N 2.96Å; A236-R239 PolarHBondContact O-N 2.98Å; A236-R239 VanDerWaalsContact O-N 3.1Å; A236-L240 WeakPolarHBondContact O-CG 3.46Å; A236-L240 PolarHBondContact O-N 3.05Å; A236-L353 HydrophobicContact CB-CD1 3.99Å; A236-L353 HydrophobicContact CB-CD2 3.93Å; A236-L353 HydrophobicContact CB-CG 4.05Å
237	F	81.2	Confident	76.7	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-45.9	178.6	-176.7	-91.3	0	0	0	112.3	E195 N196 F198 E233 R239 L240 I241 A371 F372 I375	E195-F237 HydrophobicContact CB-CZ 4.42Å; N196-F237 HydrophobicContact CB-CD1 3.62Å; N196-F237 HydrophobicContact CB-CE1 3.86Å; N196-F237 VanDerWaalsContact CG-CD1 3.49Å; F198-F237 HydrophobicContact CE2-CB 4.02Å; F198-F237 HydrophobicContact CE2-CD2 4.39Å; F198-F237 HydrophobicContact CE2-CG 4.11Å; F198-F237 HydrophobicContact CZ-CB 4.43Å; F198-F237 AromaticContact CZ-CD2 3.97Å; F198-F237 HydrophobicContact CZ-CD2 3.97Å; F198-F237 HydrophobicContact CZ-CE2 4.34Å; F198-F237 HydrophobicContact CZ-CG 4.12Å; E233-F237 PolarHBondContact O-N 3.28Å; F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 2.99Å; F237-L240 PolarHBondContact O-N 3.26Å; F237-I241 HydrophobicContact CD1-CG1 4.15Å; F237-I241 HydrophobicContact CE1-CG1 3.81Å; F237-I241 HydrophobicContact CZ-CD1 4.31Å; F237-I241 HydrophobicContact CZ-CG1 4.03Å; F237-I241 WeakPolarHBondContact O-CG1 3.49Å; F237-I241 PolarHBondContact O-N 2.85Å; F237-A371 HydrophobicContact CE2-CB 3.77Å; F237-A371 HydrophobicContact CZ-CB 3.89Å; F237-F372 HydrophobicContact CD2-CE2 4.15Å; F237-F372 HydrophobicContact CE2-CD2 4.24Å; F237-F372 AromaticContact CE2-CE2 3.75Å; F237-F372 HydrophobicContact CE2-CE2 3.75Å; F237-F372 HydrophobicContact CE2-CZ 4.35Å; F237-I375 HydrophobicContact CE2-CD1 4.24Å; F237-I375 HydrophobicContact CZ-CD1 3.64Å
238	Y	84.6	Confident	78.7	Confident	15 Å²	15	33 Å²	33	6%	0.059	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-45.7	175.5	172.7	-97.3	0	0	0	111.9	Y193 F223 Y224 L227 K234 R235 A236 I241 S242	Y193-Y238 AromaticContact CD1-CD2 3.8Å; Y193-Y238 HydrophobicContact CD1-CD2 3.8Å; Y193-Y238 AromaticContact CD1-CE2 3.93Å; Y193-Y238 HydrophobicContact CD1-CE2 3.93Å; Y193-Y238 AromaticContact CE1-CD2 3.74Å; Y193-Y238 HydrophobicContact CE1-CD2 3.74Å; Y193-Y238 AromaticContact CE1-CE2 3.65Å; Y193-Y238 HydrophobicContact CE1-CE2 3.65Å; F223-Y238 AromaticContact CE1-CE2 3.95Å; F223-Y238 HydrophobicContact CE1-CE2 3.95Å; F223-Y238 AromaticContact CE1-CZ 3.96Å; F223-Y238 HydrophobicContact CZ-CD2 4.5Å; F223-Y238 AromaticContact CZ-CE2 3.97Å; F223-Y238 HydrophobicContact CZ-CE2 3.97Å; Y224-Y238 HydrophobicContact CE1-CE1 4.12Å; Y224-Y238 PolarHBondContact OH-OH 2.87Å; L227-Y238 HydrophobicContact CD1-CD1 3.69Å; L227-Y238 HydrophobicContact CD1-CD2 3.93Å; L227-Y238 HydrophobicContact CD1-CE1 4.19Å; L227-Y238 HydrophobicContact CD1-CE2 4.41Å; L227-Y238 HydrophobicContact CD1-CG 3.54Å; L227-Y238 HydrophobicContact CD2-CD1 3.79Å; L227-Y238 HydrophobicContact CD2-CE1 4.18Å; L227-Y238 HydrophobicContact CD2-CG 4.45Å; L227-Y238 HydrophobicContact CG-CD1 4.41Å; K234-Y238 WeakPolarHBondContact O-CB 3.33Å; K234-Y238 PolarHBondContact O-N 3.26Å; K234-Y238 VanDerWaalsContact O-N 3.09Å; R235-Y238 PolarHBondContact O-N 3.36Å; A236-Y238 VanDerWaalsContact C-N 3.35Å; A236-Y238 PolarHBondContact O-N 2.96Å; Y238-I241 PolarHBondContact O-N 3.38Å; Y238-S242 WeakPolarHBondContact O-CB 3.4Å; Y238-S242 PolarHBondContact O-N 2.93Å
239	R	86.1	Confident	80.7	Confident	17 Å²	17	27.2 Å²	27.2	6%	0.064	16%	0.155	C	C	.	.	H	α-helix	trans	-66.4	-37.1	-179.7	-69.1	178.9	73	-168.2	11.8	112.2	D32 R235 A236 F237 S242 G243 N293 F296	D32-R239 IonicContact OD2-CZ 2.69Å; D32-R239 IonicContact OD2-NH1 3.54Å; D32-R239 PolarHBondContact OD2-NH1 3.44Å; R235-R239 VanDerWaalsContact O-CG 3.22Å; R235-R239 WeakPolarHBondContact O-CG 3.29Å; R235-R239 PolarHBondContact O-N 2.8Å; A236-R239 PolarHBondContact O-N 2.98Å; A236-R239 VanDerWaalsContact O-N 3.1Å; F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 2.99Å; R239-S242 PolarHBondContact O-N 3.5Å; R239-G243 PolarHBondContact O-N 3.13Å; R239-N293 WeakPolarHBondContact CG-OD1 3.49Å; R239-N293 PolarHBondContact NE-OD1 3.37Å; R239-N293 VanDerWaalsContact NE-OD1 3.15Å; R239-F296 HydrophobicContact CB-CD1 3.57Å; R239-F296 HydrophobicContact CB-CE1 3.75Å; R239-F296 HydrophobicContact CB-CG 4.38Å; R239-F296 VanDerWaalsContact CZ-CD2 3.45Å; R239-F296 VanDerWaalsContact NH1-CD2 3.31Å
240	L	89.3	Confident	83	Confident	9 Å²	9	24.3 Å²	24.3	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-51.4	174.5	-65.6	174.7	0	0	0	111.4	A236 F237 S242 G243 L244 F296 L297 I300 L398 L402	A236-L240 WeakPolarHBondContact O-CG 3.46Å; A236-L240 PolarHBondContact O-N 3.05Å; F237-L240 PolarHBondContact O-N 3.26Å; L240-S242 VanDerWaalsContact C-N 3.33Å; L240-S242 PolarHBondContact O-N 3.19Å; L240-G243 PolarHBondContact O-N 3.46Å; L240-L244 PolarHBondContact O-N 3.03Å; L240-F296 HydrophobicContact CD2-CD1 4.2Å; L240-F296 HydrophobicContact CD2-CE1 3.81Å; L240-F296 HydrophobicContact CG-CE1 4.13Å; L240-L297 HydrophobicContact CD2-CD1 3.82Å; L240-I300 HydrophobicContact CD2-CB 4.08Å; L240-I300 HydrophobicContact CD2-CG1 4Å; L240-I300 HydrophobicContact CD2-CG2 3.94Å; L240-L398 HydrophobicContact CB-CD2 4.14Å; L240-L398 HydrophobicContact CD1-CD1 4.45Å; L240-L398 HydrophobicContact CD2-CD1 4.25Å; L240-L402 HydrophobicContact CD1-CD1 4.02Å; L240-L402 HydrophobicContact CD1-CD2 3.97Å
241	I	91.7	Very high	85	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-38.8	177.8	-60.4	-56.2	0	0	0	111.3	W189 I192 Y193 F237 Y238 L244 H245 I375	W189-I241 HydrophobicContact CZ3-CG2 4.09Å; I192-I241 HydrophobicContact CG2-CD1 4.16Å; I192-I241 HydrophobicContact CG2-CG1 4.38Å; I192-I241 HydrophobicContact CG2-CG2 3.61Å; Y193-I241 HydrophobicContact CD1-CB 4.44Å; Y193-I241 HydrophobicContact CD1-CG2 3.92Å; Y193-I241 HydrophobicContact CE1-CB 4Å; Y193-I241 HydrophobicContact CE1-CG2 3.54Å; Y193-I241 HydrophobicContact CE2-CG2 4.21Å; Y193-I241 HydrophobicContact CG-CG2 4.43Å; F237-I241 HydrophobicContact CD1-CG1 4.15Å; F237-I241 HydrophobicContact CE1-CG1 3.81Å; F237-I241 HydrophobicContact CZ-CD1 4.31Å; F237-I241 HydrophobicContact CZ-CG1 4.03Å; F237-I241 WeakPolarHBondContact O-CG1 3.49Å; F237-I241 PolarHBondContact O-N 2.85Å; Y238-I241 PolarHBondContact O-N 3.38Å; I241-L244 PolarHBondContact O-N 3.3Å; I241-H245 WeakPolarHBondContact O-CB 3.2Å; I241-H245 PolarHBondContact O-N 2.97Å; I241-I375 HydrophobicContact CD1-CD1 3.86Å
242	S	92.6	Very high	86.7	Confident	3 Å²	3	20.2 Å²	20.2	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-42.7	176.2	-174.7	0	0	0	0	112.4	Y193 Y238 R239 L240 H245 A246 N293	Y193-S242 VanDerWaalsContact OH-CA 3.24Å; Y193-S242 WeakPolarHBondContact OH-CA 3.32Å; Y238-S242 WeakPolarHBondContact O-CB 3.4Å; Y238-S242 PolarHBondContact O-N 2.93Å; R239-S242 PolarHBondContact O-N 3.5Å; L240-S242 VanDerWaalsContact C-N 3.33Å; L240-S242 PolarHBondContact O-N 3.19Å; S242-H245 PolarHBondContact O-N 3.44Å; S242-A246 VanDerWaalsContact O-CB 3.32Å; S242-A246 WeakPolarHBondContact O-CB 3.36Å; S242-A246 PolarHBondContact O-N 3.1Å; S242-N293 WeakPolarHBondContact CB-ND2 3.49Å; S242-N293 PolarHBondContact OG-ND2 3.1Å
243	G	95.3	Very high	88.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.8	-40.3	173.8	0	0	0	0	0	112.2	R239 L240 A246 S247 N293 L294	R239-G243 PolarHBondContact O-N 3.13Å; L240-G243 PolarHBondContact O-N 3.46Å; G243-A246 WeakPolarHBondContact O-CB 3.39Å; G243-A246 PolarHBondContact O-N 2.94Å; G243-S247 PolarHBondContact O-N 3.43Å; G243-N293 VanDerWaalsContact CA-C 3.5Å; G243-N293 WeakPolarHBondContact CA-O 3.32Å; G243-L294 WeakPolarHBondContact O-CD1 3.42Å
244	L	96.3	Very high	90.2	Very high	6 Å²	6	14.1 Å²	14.1	3%	0.031	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-47.2	176.5	176.6	57.8	0	0	0	111.2	L240 I241 A246 S247 I248 L297 Q394 T395	L240-L244 PolarHBondContact O-N 3.03Å; I241-L244 PolarHBondContact O-N 3.3Å; L244-A246 VanDerWaalsContact C-N 3.31Å; L244-A246 PolarHBondContact O-N 3.19Å; L244-S247 WeakPolarHBondContact O-CB 3.22Å; L244-S247 PolarHBondContact O-N 3.15Å; L244-S247 VanDerWaalsContact O-N 3.14Å; L244-I248 HydrophobicContact CD1-CD1 4.38Å; L244-I248 HydrophobicContact CG-CD1 4.36Å; L244-I248 WeakPolarHBondContact O-CG1 3.4Å; L244-I248 PolarHBondContact O-N 2.9Å; L244-I248 VanDerWaalsContact O-N 3.08Å; L244-L297 HydrophobicContact CB-CD2 3.96Å; L244-L297 VanDerWaalsContact N-CD2 3.33Å; L244-Q394 HydrophobicContact CD1-CB 3.58Å; L244-Q394 HydrophobicContact CD1-CG 4Å; L244-Q394 HydrophobicContact CD2-CB 4.35Å; L244-T395 HydrophobicContact CD2-CG2 4.08Å
245	H	96.4	Very high	91.6	Very high	41 Å²	41	15.7 Å²	15.7	19%	0.19	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-41.2	175	-169.4	173.3	0	0	0	111.2	W189 Y193 I241 S242 S247 I248 N249	W189-H245 AromaticContact CD1-CE1 3.69Å; W189-H245 AromaticContact CD1-NE2 3.89Å; W189-H245 AromaticContact CD2-CE1 3.69Å; W189-H245 AromaticContact CD2-CG 3.86Å; W189-H245 AromaticContact CD2-ND1 3.51Å; W189-H245 AromaticContact CE2-CD2 3.54Å; W189-H245 AromaticContact CE2-CE1 3.71Å; W189-H245 AromaticContact CE2-CG 3.62Å; W189-H245 AromaticContact CE2-ND1 3.7Å; W189-H245 AromaticContact CE2-NE2 3.67Å; W189-H245 HydrophobicContact CE3-CB 4.17Å; W189-H245 AromaticContact CE3-CG 3.99Å; W189-H245 AromaticContact CE3-ND1 3.74Å; W189-H245 AromaticContact CG-CE1 3.69Å; W189-H245 AromaticContact CG-ND1 3.93Å; W189-H245 HydrophobicContact CH2-CB 3.49Å; W189-H245 VanDerWaalsContact CH2-CB 3.49Å; W189-H245 AromaticContact CH2-CG 3.74Å; W189-H245 HydrophobicContact CZ2-CB 3.84Å; W189-H245 AromaticContact CZ2-CD2 3.52Å; W189-H245 AromaticContact CZ2-CG 3.57Å; W189-H245 HydrophobicContact CZ3-CB 3.67Å; W189-H245 AromaticContact CZ3-CG 3.94Å; W189-H245 AromaticContact NE1-CD2 3.79Å; W189-H245 AromaticContact NE1-CE1 3.67Å; W189-H245 AromaticContact NE1-NE2 3.48Å; W189-H245 PolarHBondContact NE1-NE2 2.77Å; Y193-H245 AromaticContact CE2-ND1 3.96Å; I241-H245 WeakPolarHBondContact O-CB 3.2Å; I241-H245 PolarHBondContact O-N 2.97Å; S242-H245 PolarHBondContact O-N 3.44Å; H245-S247 VanDerWaalsContact C-N 3.33Å; H245-S247 PolarHBondContact O-N 2.89Å; H245-I248 PolarHBondContact O-N 3.3Å; H245-N249 PolarHBondContact CD2-ND2 3.28Å; H245-N249 PolarHBondContact NE2-ND2 3.45Å; H245-N249 VanDerWaalsContact NE2-ND2 3.19Å; H245-N249 WeakPolarHBondContact O-CB 3.33Å; H245-N249 PolarHBondContact O-N 3.49Å; H245-N249 PolarHBondContact O-ND2 3.21Å
246	A	96.8	Very high	92.7	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.025	7%	0.066	C	C	.	.	H	α-helix	trans	-60	-44	173.9	0	0	0	0	0	111.2	S242 G243 L244 I248 N249 V250 F278 R290 L294	S242-A246 VanDerWaalsContact O-CB 3.32Å; S242-A246 WeakPolarHBondContact O-CB 3.36Å; S242-A246 PolarHBondContact O-N 3.1Å; G243-A246 WeakPolarHBondContact O-CB 3.39Å; G243-A246 PolarHBondContact O-N 2.94Å; L244-A246 VanDerWaalsContact C-N 3.31Å; L244-A246 PolarHBondContact O-N 3.19Å; A246-I248 PolarHBondContact O-N 3.34Å; A246-N249 CarbonylContact O-C 3.6Å; A246-N249 PolarHBondContact O-N 2.92Å; A246-V250 WeakPolarHBondContact O-CG2 3.37Å; A246-V250 PolarHBondContact O-N 3Å; A246-F278 HydrophobicContact CB-CE1 4.2Å; A246-R290 HydrophobicContact CB-CB 4.22Å; A246-R290 WeakPolarHBondContact CB-O 3.46Å; A246-L294 HydrophobicContact CB-CB 4.3Å
247	S	98.3	Very high	93.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.9	-47.3	178.1	-169.4	0	0	0	0	112.4	G243 L244 H245 N249 V250 H251 L294 I441 S444	G243-S247 PolarHBondContact O-N 3.43Å; L244-S247 WeakPolarHBondContact O-CB 3.22Å; L244-S247 PolarHBondContact O-N 3.15Å; L244-S247 VanDerWaalsContact O-N 3.14Å; H245-S247 VanDerWaalsContact C-N 3.33Å; H245-S247 PolarHBondContact O-N 2.89Å; S247-N249 VanDerWaalsContact C-N 3.31Å; S247-N249 PolarHBondContact O-N 3.34Å; S247-V250 PolarHBondContact O-N 2.83Å; S247-H251 PolarHBondContact O-N 2.9Å; S247-H251 PolarHBondContact O-ND1 2.93Å; S247-L294 VanDerWaalsContact CB-CD1 3.47Å; S247-I441 WeakPolarHBondContact OG-CD1 3.46Å; S247-S444 WeakPolarHBondContact CA-OG 3.38Å; S247-S444 PolarHBondContact O-OG 3.25Å; S247-S444 PolarHBondContact OG-OG 2.82Å
248	I	97.1	Very high	93.8	Very high	38 Å²	38	18.7 Å²	18.7	20%	0.195	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-43.4	177.6	-66.2	163.9	0	0	0	110.5	W189 L244 H245 A246 V250 H251 L252	W189-I248 HydrophobicContact CH2-CD1 3.83Å; W189-I248 HydrophobicContact CZ2-CD1 3.71Å; L244-I248 HydrophobicContact CD1-CD1 4.38Å; L244-I248 HydrophobicContact CG-CD1 4.36Å; L244-I248 WeakPolarHBondContact O-CG1 3.4Å; L244-I248 PolarHBondContact O-N 2.9Å; L244-I248 VanDerWaalsContact O-N 3.08Å; H245-I248 PolarHBondContact O-N 3.3Å; A246-I248 PolarHBondContact O-N 3.34Å; I248-V250 VanDerWaalsContact C-N 3.32Å; I248-V250 PolarHBondContact O-N 2.84Å; I248-H251 PolarHBondContact O-N 3.35Å; I248-L252 PolarHBondContact O-N 3.47Å
249	N	96.6	Very high	93.7	Very high	14 Å²	14	21.6 Å²	21.6	8%	0.075	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-31.8	177.7	-76.3	-27.7	0	0	0	112.9	H245 A246 S247 L252 S253 R277 F278	H245-N249 PolarHBondContact CD2-ND2 3.28Å; H245-N249 PolarHBondContact NE2-ND2 3.45Å; H245-N249 VanDerWaalsContact NE2-ND2 3.19Å; H245-N249 WeakPolarHBondContact O-CB 3.33Å; H245-N249 PolarHBondContact O-N 3.49Å; H245-N249 PolarHBondContact O-ND2 3.21Å; A246-N249 CarbonylContact O-C 3.6Å; A246-N249 PolarHBondContact O-N 2.92Å; S247-N249 VanDerWaalsContact C-N 3.31Å; S247-N249 PolarHBondContact O-N 3.34Å; N249-L252 WeakPolarHBondContact O-CG 3.26Å; N249-S253 WeakPolarHBondContact O-CB 3.34Å; N249-S253 PolarHBondContact O-N 3.04Å; N249-S253 PolarHBondContact O-OG 3.31Å; N249-R277 PolarHBondContact OD1-NH1 3.27Å; N249-F278 HydrophobicContact CB-CE2 4.16Å; N249-F278 HydrophobicContact CB-CZ 3.71Å
250	V	97.7	Very high	93.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.4	-46.5	171.4	172.3	0	0	0	0	110.2	A246 S247 I248 L252 S253 A254 F274 F278 L291 E447 L448	A246-V250 WeakPolarHBondContact O-CG2 3.37Å; A246-V250 PolarHBondContact O-N 3Å; S247-V250 PolarHBondContact O-N 2.83Å; I248-V250 VanDerWaalsContact C-N 3.32Å; I248-V250 PolarHBondContact O-N 2.84Å; V250-L252 PolarHBondContact O-N 3.31Å; V250-S253 PolarHBondContact O-N 3.43Å; V250-S253 VanDerWaalsContact O-N 3.15Å; V250-A254 WeakPolarHBondContact O-CB 3.46Å; V250-A254 PolarHBondContact O-N 3.35Å; V250-F274 HydrophobicContact CG2-CE2 4.33Å; V250-F278 HydrophobicContact CG2-CE2 3.84Å; V250-F278 HydrophobicContact CG2-CZ 3.74Å; V250-L291 HydrophobicContact CG2-CD2 4.41Å; V250-E447 HydrophobicContact CG1-CB 3.86Å; V250-L448 HydrophobicContact CG1-CD2 4.46Å; V250-L448 HydrophobicContact CG2-CD2 4.04Å
251	H	97.4	Very high	93.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-47.2	179.3	-79.9	78.2	0	0	0	112.9	E175 S247 I248 S253 A254 R255 R440 S444	E175-H251 HydrophobicContact CG-CB 3.99Å; E175-H251 IonicContact OE2-CD2 3.21Å; E175-H251 PolarHBondContact OE2-CD2 2.85Å; E175-H251 IonicContact OE2-CE1 2.89Å; E175-H251 IonicContact OE2-CG 2.77Å; E175-H251 VanDerWaalsContact OE2-CG 3.26Å; E175-H251 IonicContact OE2-ND1 3.78Å; E175-H251 PolarHBondContact OE2-ND1 2.98Å; E175-H251 IonicContact OE2-NE2 3.12Å; S247-H251 PolarHBondContact O-N 2.9Å; S247-H251 PolarHBondContact O-ND1 2.93Å; I248-H251 PolarHBondContact O-N 3.35Å; H251-S253 PolarHBondContact O-N 2.68Å; H251-A254 PolarHBondContact O-N 3.07Å; H251-R255 WeakPolarHBondContact O-CB 3.43Å; H251-R255 PolarHBondContact O-N 3.43Å; H251-R440 PolarHBondContact CE1-O 3.16Å; H251-S444 PolarHBondContact CE1-OG 3.22Å; H251-S444 PolarHBondContact ND1-OG 3.42Å; H251-S444 VanDerWaalsContact ND1-OG 3.08Å
252	L	94.4	Very high	92.4	Very high	26 Å²	26	40.1 Å²	40.1	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-31.8	178.8	72.4	86.2	0	0	0	111.8	Y177 I248 N249 V250 R255 Y256 E273	Y177-L252 HydrophobicContact CD2-CD1 4.49Å; I248-L252 PolarHBondContact O-N 3.47Å; N249-L252 WeakPolarHBondContact O-CG 3.26Å; V250-L252 PolarHBondContact O-N 3.31Å; L252-R255 CarbonylContact O-C 3.57Å; L252-Y256 WeakPolarHBondContact O-CA 3.43Å; L252-Y256 WeakPolarHBondContact O-CD2 3.46Å; L252-Y256 PolarHBondContact O-N 2.91Å; L252-E273 HydrophobicContact CD1-CG 3.95Å
253	S	95.6	Very high	91.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-73.6	-40.5	177.3	-56	0	0	0	0	111.4	N249 V250 H251 N270	N249-S253 WeakPolarHBondContact O-CB 3.34Å; N249-S253 PolarHBondContact O-N 3.04Å; N249-S253 PolarHBondContact O-OG 3.31Å; V250-S253 PolarHBondContact O-N 3.43Å; V250-S253 VanDerWaalsContact O-N 3.15Å; H251-S253 PolarHBondContact O-N 2.68Å; S253-N270 PolarHBondContact O-N 3.46Å
254	A	96.4	Very high	90.7	Very high	3 Å²	3	56 Å²	56	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-73	-31.4	179.7	0	0	0	0	0	112.5	V250 H251 G268 H269 E447 F451	V250-A254 WeakPolarHBondContact O-CB 3.46Å; V250-A254 PolarHBondContact O-N 3.35Å; H251-A254 PolarHBondContact O-N 3.07Å; A254-G268 CarbonylContact O-C 3.59Å; A254-H269 WeakPolarHBondContact O-CA 3.46Å; A254-H269 PolarHBondContact O-N 3.05Å; A254-E447 HydrophobicContact CB-CB 4.06Å; A254-E447 HydrophobicContact CB-CG 3.72Å; A254-F451 HydrophobicContact CB-CE2 3.87Å; A254-F451 HydrophobicContact CB-CZ 4.1Å
255	R	94.4	Very high	90.1	Very high	69 Å²	69	60.6 Å²	60.6	26%	0.26	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	60.2	-178.8	-58.6	173.4	-178.4	168.7	0.5	109.4	E175 R176 Y177 H251 L252 W267	E175-R255 WeakPolarHBondContact O-CD 3.32Å; E175-R255 PolarHBondContact O-NH1 2.93Å; R176-R255 HydrophobicContact CB-CB 3.55Å; Y177-R255 WeakPolarHBondContact CB-O 3.14Å; Y177-R255 PolarHBondContact N-O 3.26Å; H251-R255 WeakPolarHBondContact O-CB 3.43Å; H251-R255 PolarHBondContact O-N 3.43Å; L252-R255 CarbonylContact O-C 3.57Å; R255-W267 WeakPolarHBondContact O-CZ3 3.14Å
256	Y	93	Very high	89.8	Confident	41 Å²	41	64.3 Å²	64.3	16%	0.161	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	150.3	179.2	-153.9	-88	0	0	0	110.7	Y177 L252 L258 W267 G268 N270 E273	Y177-Y256 AromaticContact CD2-CD2 3.78Å; Y177-Y256 HydrophobicContact CD2-CD2 3.78Å; Y177-Y256 AromaticContact CD2-CE2 3.44Å; Y177-Y256 HydrophobicContact CD2-CE2 3.44Å; Y177-Y256 VanDerWaalsContact CD2-CE2 3.44Å; Y177-Y256 AromaticContact CD2-CZ 3.97Å; Y177-Y256 HydrophobicContact CE2-CD2 4.33Å; Y177-Y256 AromaticContact CE2-CE2 3.54Å; Y177-Y256 HydrophobicContact CE2-CE2 3.54Å; Y177-Y256 AromaticContact CE2-CZ 3.67Å; Y177-Y256 HydrophobicContact CG-CD2 4.04Å; Y177-Y256 HydrophobicContact CG-CE2 4.07Å; Y177-Y256 HydrophobicContact CG-CG 4.43Å; Y177-Y256 AromaticContact CZ-CZ 3.93Å; L252-Y256 WeakPolarHBondContact O-CA 3.43Å; L252-Y256 WeakPolarHBondContact O-CD2 3.46Å; L252-Y256 PolarHBondContact O-N 2.91Å; Y256-L258 PolarHBondContact O-N 3.41Å; Y256-W267 CarbonylContact O-C 3.58Å; Y256-W267 VanDerWaalsContact O-CA 3.26Å; Y256-W267 WeakPolarHBondContact O-CA 3.49Å; Y256-G268 WeakPolarHBondContact CB-O 3.42Å; Y256-G268 PolarHBondContact N-O 2.65Å; Y256-G268 PolarHBondContact O-N 3.05Å; Y256-N270 HydrophobicContact CD1-CB 4.09Å; Y256-N270 WeakPolarHBondContact CD1-ND2 3.4Å; Y256-N270 HydrophobicContact CD2-CB 4.04Å; Y256-N270 WeakPolarHBondContact CE1-ND2 3.3Å; Y256-N270 HydrophobicContact CG-CB 3.63Å; Y256-E273 HydrophobicContact CD2-CB 4.25Å; Y256-E273 HydrophobicContact CD2-CG 4Å; Y256-E273 HydrophobicContact CE2-CB 4.13Å; Y256-E273 HydrophobicContact CE2-CG 3.71Å; Y256-E273 WeakPolarHBondContact CE2-OE2 3.09Å; Y256-E273 PolarHBondContact OH-OE2 3.33Å
257	L	90.1	Very high	89.5	Confident	27 Å²	27	67.4 Å²	67.4	14%	0.141	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	95.8	170.2	-178.9	64.1	0	0	0	108.5	Y177 D259 D260 R265 W267	Y177-L257 HydrophobicContact CD1-CB 4.08Å; L257-D259 WeakPolarHBondContact CD1-O 3.44Å; L257-D260 HydrophobicContact CD1-CB 4.38Å; L257-D260 HydrophobicContact CD2-CB 3.87Å; L257-D260 HydrophobicContact CG-CB 4.17Å; L257-R265 HydrophobicContact CD1-CB 4.29Å; L257-R265 VanDerWaalsContact CD2-NH2 3.31Å; L257-W267 HydrophobicContact CB-CE3 4.21Å; L257-W267 HydrophobicContact CB-CH2 3.97Å; L257-W267 HydrophobicContact CB-CZ2 4.3Å; L257-W267 HydrophobicContact CB-CZ3 3.93Å; L257-W267 HydrophobicContact CD1-CD2 4.26Å; L257-W267 HydrophobicContact CD1-CH2 4.44Å; L257-W267 HydrophobicContact CD1-CZ2 3.91Å
258	L	89.1	Confident	89.3	Confident	79 Å²	79	68.2 Å²	68.2	41%	0.414	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-36.8	-174.9	-63.7	175.6	0	0	0	112.1	Y256 K266 N270	Y256-L258 PolarHBondContact O-N 3.41Å; L258-K266 PolarHBondContact N-O 3.38Å; L258-N270 HydrophobicContact CD2-CB 3.97Å
259	D	83.8	Confident	89.3	Confident	76 Å²	76	69.6 Å²	69.6	41%	0.406	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	135	179.7	-164.7	-2.6	0	0	0	109.8	L257 T261 R265 K266	L257-D259 WeakPolarHBondContact CD1-O 3.44Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.34Å; D259-R265 WeakPolarHBondContact O-CA 3.33Å; D259-K266 HydrophobicContact CB-CB 4Å; D259-K266 PolarHBondContact N-O 2.91Å; D259-K266 PolarHBondContact O-N 3.48Å
260	D	81.9	Confident	89.2	Confident	100 Å²	100	70.5 Å²	70.5	54%	0.535	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	65.9	-178.7	-159.7	42.4	0	0	0	109.2	L257 R265	L257-D260 HydrophobicContact CD1-CB 4.38Å; L257-D260 HydrophobicContact CD2-CB 3.87Å; L257-D260 HydrophobicContact CG-CB 4.17Å; D260-R265 IonicContact OD1-CZ 2.75Å; D260-R265 IonicContact OD1-NE 3.89Å; D260-R265 PolarHBondContact OD1-NE 2.69Å; D260-R265 IonicContact OD1-NH2 3.14Å
261	T	82.8	Confident	89.1	Confident	64 Å²	64	71.2 Å²	71.2	39%	0.393	33%	0.326	S	S	.	.			trans	-84.5	160.4	171.2	66.9	0	0	0	0	110.8	D259 F263 Q264	D259-T261 WeakPolarHBondContact OD1-CG2 3.34Å; T261-F263 PolarHBondContact O-N 2.95Å; T261-F263 VanDerWaalsContact O-N 3.1Å; T261-Q264 PolarHBondContact N-O 3.4Å; T261-Q264 PolarHBondContact O-N 2.73Å; T261-Q264 PolarHBondContact OG1-N 3.3Å; T261-Q264 VanDerWaalsContact OG1-N 3.15Å; T261-Q264 PolarHBondContact OG1-O 2.76Å
262	W	74.4	Confident	88.8	Confident	251 Å²	251	74.3 Å²	74.3	95%	0.951	35%	0.348	S	S	*	.	S	Bend	trans	-58.3	-23.7	177.9	-76.4	3.3	0	0	0	114.5
263	F	73.6	Confident	88.8	Confident	200 Å²	200	74.2 Å²	74.2	88%	0.877	35%	0.347	S	S	*	.	S	Bend	trans	-107.2	-21.1	-175.1	-58.9	-77.8	0	0	0	113.5	T261	T261-F263 PolarHBondContact O-N 2.95Å; T261-F263 VanDerWaalsContact O-N 3.1Å
264	Q	78.8	Confident	88.8	Confident	136 Å²	136	74.2 Å²	74.2	64%	0.636	35%	0.347	S	S	*	.			trans	-149.5	130.4	-176.6	-169.6	172.4	0.3	0	0	111.7	T261	T261-Q264 PolarHBondContact N-O 3.4Å; T261-Q264 PolarHBondContact O-N 2.73Å; T261-Q264 PolarHBondContact OG1-N 3.3Å; T261-Q264 VanDerWaalsContact OG1-N 3.15Å; T261-Q264 PolarHBondContact OG1-O 2.76Å
265	R	84.4	Confident	88.6	Confident	103 Å²	103	77.4 Å²	77.4	39%	0.389	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.2	169.8	-55.8	-171.3	74.5	-157.5	-6.4	108.7	D85 L257 D259 D260	D85-R265 IonicContact OD1-CZ 2.62Å; D85-R265 IonicContact OD1-NH1 2.99Å; D85-R265 PolarHBondContact OD1-NH1 3.48Å; D85-R265 IonicContact OD1-NH2 2.66Å; D85-R265 PolarHBondContact OD1-NH2 3.42Å; D85-R265 IonicContact OD2-CZ 3.13Å; D85-R265 IonicContact OD2-NH1 4Å; D85-R265 IonicContact OD2-NH2 2.68Å; D85-R265 PolarHBondContact OD2-NH2 3.47Å; L257-R265 HydrophobicContact CD1-CB 4.29Å; L257-R265 VanDerWaalsContact CD2-NH2 3.31Å; D259-R265 WeakPolarHBondContact O-CA 3.33Å; D260-R265 IonicContact OD1-CZ 2.75Å; D260-R265 IonicContact OD1-NE 3.89Å; D260-R265 PolarHBondContact OD1-NE 2.69Å; D260-R265 IonicContact OD1-NH2 3.14Å
266	K	89.6	Confident	88.4	Confident	120 Å²	120	79.7 Å²	79.7	52%	0.522	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.4	179.8	-169.2	178.3	177.7	-177.2	0	109.9	L258 D259	L258-K266 PolarHBondContact N-O 3.38Å; D259-K266 HydrophobicContact CB-CB 4Å; D259-K266 PolarHBondContact N-O 2.91Å; D259-K266 PolarHBondContact O-N 3.48Å
267	W	90.8	Very high	88.4	Confident	68 Å²	68	81.2 Å²	81.2	26%	0.258	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	141.4	172.9	-64.6	84.1	0	0	0	109.9	R176 Y177 R255 Y256 L257	R176-W267 HydrophobicContact CB-CZ3 4.28Å; R176-W267 HydrophobicContact CG-CE3 4.43Å; R176-W267 HydrophobicContact CG-CH2 4.24Å; R176-W267 HydrophobicContact CG-CZ3 3.87Å; Y177-W267 VanDerWaalsContact O-CH2 3.31Å; Y177-W267 WeakPolarHBondContact O-CH2 3.48Å; Y177-W267 WeakPolarHBondContact O-CZ3 3.41Å; R255-W267 WeakPolarHBondContact O-CZ3 3.14Å; Y256-W267 CarbonylContact O-C 3.58Å; Y256-W267 VanDerWaalsContact O-CA 3.26Å; Y256-W267 WeakPolarHBondContact O-CA 3.49Å; L257-W267 HydrophobicContact CB-CE3 4.21Å; L257-W267 HydrophobicContact CB-CH2 3.97Å; L257-W267 HydrophobicContact CB-CZ2 4.3Å; L257-W267 HydrophobicContact CB-CZ3 3.93Å; L257-W267 HydrophobicContact CD1-CD2 4.26Å; L257-W267 HydrophobicContact CD1-CH2 4.44Å; L257-W267 HydrophobicContact CD1-CZ2 3.91Å
268	G	93.1	Very high	88.5	Confident	17 Å²	17	80 Å²	80	18%	0.175	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-172.4	176.2	0	0	0	0	0	113.8	A254 Y256 N270	A254-G268 CarbonylContact O-C 3.59Å; Y256-G268 WeakPolarHBondContact CB-O 3.42Å; Y256-G268 PolarHBondContact N-O 2.65Å; Y256-G268 PolarHBondContact O-N 3.05Å; G268-N270 PolarHBondContact O-N 3.4Å
269	H	96.7	Very high	88.3	Confident	67 Å²	67	76.2 Å²	76.2	31%	0.31	35%	0.351	S	S	.	.			trans	-72.3	120.8	-177.5	-60.6	77	0	0	0	111.6	A254 E447 F451 L454	A254-H269 WeakPolarHBondContact O-CA 3.46Å; A254-H269 PolarHBondContact O-N 3.05Å; H269-E447 IonicContact CD2-OE2 3.19Å; H269-E447 IonicContact CE1-OE2 2.75Å; H269-E447 IonicContact NE2-OE2 2.96Å; H269-E447 PolarHBondContact NE2-OE2 3.34Å; H269-F451 HydrophobicContact CB-CE1 4.11Å; H269-F451 HydrophobicContact CB-CZ 4.43Å; H269-F451 AromaticContact CD2-CZ 3.99Å; H269-L454 HydrophobicContact CB-CD1 3.67Å
270	N	95.6	Very high	88.3	Confident	32 Å²	32	73.2 Å²	73.2	17%	0.171	34%	0.336	C	S	.	.			trans	-101.1	97.8	171.5	-174.4	-19.7	0	0	0	109.8	S253 Y256 L258 G268 S272 E273 F274	S253-N270 PolarHBondContact O-N 3.46Å; Y256-N270 HydrophobicContact CD1-CB 4.09Å; Y256-N270 WeakPolarHBondContact CD1-ND2 3.4Å; Y256-N270 HydrophobicContact CD2-CB 4.04Å; Y256-N270 WeakPolarHBondContact CE1-ND2 3.3Å; Y256-N270 HydrophobicContact CG-CB 3.63Å; L258-N270 HydrophobicContact CD2-CB 3.97Å; G268-N270 PolarHBondContact O-N 3.4Å; N270-S272 VanDerWaalsContact C-N 3.31Å; N270-S272 PolarHBondContact O-N 2.97Å; N270-S272 WeakPolarHBondContact OD1-CB 3.01Å; N270-S272 PolarHBondContact OD1-N 3.4Å; N270-S272 VanDerWaalsContact OD1-N 3.17Å; N270-E273 HydrophobicContact CB-CB 3.97Å; N270-E273 PolarHBondContact O-N 3.21Å; N270-E273 PolarHBondContact OD1-N 2.95Å; N270-F274 PolarHBondContact O-N 3.34Å; N270-F274 VanDerWaalsContact O-N 3.11Å
271	V	94.2	Very high	88.3	Confident	15 Å²	15	72.6 Å²	72.6	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-35.6	-178.5	-176.1	0	0	0	0	111.6	F274 R275 L454 L455	V271-F274 PolarHBondContact O-N 3.16Å; V271-R275 HydrophobicContact CG1-CG 4.35Å; V271-R275 WeakPolarHBondContact O-CB 3.16Å; V271-R275 VanDerWaalsContact O-CG 3.3Å; V271-R275 WeakPolarHBondContact O-CG 3.08Å; V271-R275 PolarHBondContact O-N 3.4Å; V271-L454 HydrophobicContact CG2-CB 4.04Å; V271-L454 HydrophobicContact CG2-CD1 4.15Å; V271-L455 HydrophobicContact CG1-CD2 3.37Å; V271-L455 HydrophobicContact CG1-CG 3.97Å
272	S	93.1	Very high	88.4	Confident	67 Å²	67	74.5 Å²	74.5	47%	0.469	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-45.5	177.3	-178.8	0	0	0	0	111.8	N270 F274 R275 Q276	N270-S272 VanDerWaalsContact C-N 3.31Å; N270-S272 PolarHBondContact O-N 2.97Å; N270-S272 WeakPolarHBondContact OD1-CB 3.01Å; N270-S272 PolarHBondContact OD1-N 3.4Å; N270-S272 VanDerWaalsContact OD1-N 3.17Å; S272-F274 VanDerWaalsContact C-N 3.33Å; S272-F274 PolarHBondContact O-N 3.41Å; S272-R275 PolarHBondContact O-N 2.88Å; S272-Q276 WeakPolarHBondContact O-CG 3.3Å; S272-Q276 PolarHBondContact O-N 3.19Å
273	E	93.3	Very high	88.8	Confident	24 Å²	24	63.5 Å²	63.5	11%	0.112	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-43.5	176.1	-175	75.2	-155.2	0	0	110.9	L252 Y256 N270 Q276 R277	L252-E273 HydrophobicContact CD1-CG 3.95Å; Y256-E273 HydrophobicContact CD2-CB 4.25Å; Y256-E273 HydrophobicContact CD2-CG 4Å; Y256-E273 HydrophobicContact CE2-CB 4.13Å; Y256-E273 HydrophobicContact CE2-CG 3.71Å; Y256-E273 WeakPolarHBondContact CE2-OE2 3.09Å; Y256-E273 PolarHBondContact OH-OE2 3.33Å; N270-E273 HydrophobicContact CB-CB 3.97Å; N270-E273 PolarHBondContact O-N 3.21Å; N270-E273 PolarHBondContact OD1-N 2.95Å; E273-Q276 PolarHBondContact O-N 3.43Å; E273-R277 WeakPolarHBondContact O-CG 3.28Å; E273-R277 PolarHBondContact O-N 3.49Å; E273-R277 IonicContact OE1-CZ 3.15Å; E273-R277 IonicContact OE1-NE 3.58Å; E273-R277 PolarHBondContact OE1-NE 3.14Å; E273-R277 IonicContact OE1-NH2 3.54Å; E273-R277 PolarHBondContact OE1-NH2 3.34Å
274	F	94.9	Very high	89.4	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-48.2	176.5	-177.3	-95.7	0	0	0	111.6	F23 V250 N270 V271 S272 Q276 R277 F278 L448 F451 L455	F23-F274 HydrophobicContact CE1-CZ 4.43Å; F23-F274 HydrophobicContact CE2-CE1 4.17Å; F23-F274 AromaticContact CZ-CE1 3.82Å; F23-F274 HydrophobicContact CZ-CE1 3.82Å; F23-F274 AromaticContact CZ-CZ 3.75Å; F23-F274 HydrophobicContact CZ-CZ 3.75Å; V250-F274 HydrophobicContact CG2-CE2 4.33Å; N270-F274 PolarHBondContact O-N 3.34Å; N270-F274 VanDerWaalsContact O-N 3.11Å; V271-F274 PolarHBondContact O-N 3.16Å; S272-F274 VanDerWaalsContact C-N 3.33Å; S272-F274 PolarHBondContact O-N 3.41Å; F274-Q276 PolarHBondContact O-N 3.19Å; F274-R277 PolarHBondContact O-N 3.37Å; F274-R277 VanDerWaalsContact O-N 3.16Å; F274-F278 AromaticContact CD2-CD2 3.52Å; F274-F278 HydrophobicContact CD2-CD2 3.52Å; F274-F278 AromaticContact CD2-CE2 3.97Å; F274-F278 HydrophobicContact CD2-CE2 3.97Å; F274-F278 HydrophobicContact CE1-CB 4.25Å; F274-F278 HydrophobicContact CE2-CB 4.44Å; F274-F278 AromaticContact CE2-CD2 3.46Å; F274-F278 HydrophobicContact CE2-CD2 3.46Å; F274-F278 VanDerWaalsContact CE2-CD2 3.46Å; F274-F278 AromaticContact CE2-CE2 3.96Å; F274-F278 HydrophobicContact CE2-CE2 3.96Å; F274-F278 HydrophobicContact CE2-CG 4.16Å; F274-F278 HydrophobicContact CG-CD2 4.12Å; F274-F278 HydrophobicContact CZ-CB 4.13Å; F274-F278 HydrophobicContact CZ-CD2 4.02Å; F274-F278 HydrophobicContact CZ-CG 4.3Å; F274-F278 WeakPolarHBondContact O-CD2 3.4Å; F274-F278 PolarHBondContact O-N 3.49Å; F274-L448 HydrophobicContact CE2-CD2 3.75Å; F274-L448 HydrophobicContact CZ-CD2 3.78Å; F274-F451 HydrophobicContact CB-CD1 3.95Å; F274-F451 HydrophobicContact CB-CE1 3.68Å; F274-F451 HydrophobicContact CB-CE2 4.43Å; F274-F451 HydrophobicContact CB-CG 4.45Å; F274-F451 HydrophobicContact CB-CZ 3.93Å; F274-F451 HydrophobicContact CD1-CB 4.16Å; F274-F451 HydrophobicContact CD1-CD1 4.1Å; F274-F451 HydrophobicContact CD1-CG 4.03Å; F274-F451 HydrophobicContact CD2-CD1 4.17Å; F274-F451 AromaticContact CD2-CD2 3.49Å; F274-F451 HydrophobicContact CD2-CD2 3.49Å; F274-F451 VanDerWaalsContact CD2-CD2 3.49Å; F274-F451 HydrophobicContact CD2-CE1 4.24Å; F274-F451 AromaticContact CD2-CE2 3.55Å; F274-F451 HydrophobicContact CD2-CE2 3.55Å; F274-F451 AromaticContact CD2-CG 3.82Å; F274-F451 HydrophobicContact CD2-CG 3.82Å; F274-F451 AromaticContact CD2-CZ 3.94Å; F274-F451 HydrophobicContact CD2-CZ 3.94Å; F274-F451 HydrophobicContact CE1-CB 3.98Å; F274-F451 HydrophobicContact CE1-CG 4.24Å; F274-F451 HydrophobicContact CE2-CB 4.34Å; F274-F451 AromaticContact CE2-CD2 3.63Å; F274-F451 HydrophobicContact CE2-CD2 3.63Å; F274-F451 HydrophobicContact CE2-CE2 4.08Å; F274-F451 HydrophobicContact CE2-CG 4.03Å; F274-F451 HydrophobicContact CG-CB 4.44Å; F274-F451 AromaticContact CG-CD1 3.8Å; F274-F451 HydrophobicContact CG-CD1 3.8Å; F274-F451 AromaticContact CG-CD2 3.99Å; F274-F451 HydrophobicContact CG-CD2 3.99Å; F274-F451 AromaticContact CG-CE1 3.95Å; F274-F451 HydrophobicContact CG-CE1 3.95Å; F274-F451 HydrophobicContact CG-CE2 4.12Å; F274-F451 AromaticContact CG-CG 3.82Å; F274-F451 HydrophobicContact CG-CG 3.82Å; F274-F451 HydrophobicContact CG-CZ 4.1Å; F274-F451 HydrophobicContact CZ-CB 4.09Å; F274-F451 HydrophobicContact CZ-CD2 4.23Å; F274-F451 HydrophobicContact CZ-CG 4.25Å; F274-L455 HydrophobicContact CD1-CD1 4.14Å; F274-L455 HydrophobicContact CE1-CD1 4.07Å
275	R	92.3	Very high	89.3	Confident	69 Å²	69	52.1 Å²	52.1	26%	0.26	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-45.1	178.8	-72.9	176.2	68.7	-177.3	-5.7	112.1	V271 S272 R277 F278 D279 L282 L455 E458	V271-R275 HydrophobicContact CG1-CG 4.35Å; V271-R275 WeakPolarHBondContact O-CB 3.16Å; V271-R275 VanDerWaalsContact O-CG 3.3Å; V271-R275 WeakPolarHBondContact O-CG 3.08Å; V271-R275 PolarHBondContact O-N 3.4Å; S272-R275 PolarHBondContact O-N 2.88Å; R275-R277 PolarHBondContact O-N 3.12Å; R275-R277 VanDerWaalsContact O-N 3.1Å; R275-F278 PolarHBondContact O-N 2.69Å; R275-D279 HydrophobicContact CB-CB 4.18Å; R275-D279 WeakPolarHBondContact O-CB 3.38Å; R275-D279 PolarHBondContact O-N 3.19Å; R275-L282 HydrophobicContact CB-CD1 4.14Å; R275-L455 HydrophobicContact CG-CD2 3.74Å; R275-E458 IonicContact NH1-OE2 3.97Å
276	Q	91.9	Very high	89.2	Confident	118 Å²	118	48 Å²	48	55%	0.551	25%	0.253	S	S	*	.	H	α-helix	trans	-58.4	-27.2	178.4	-73.5	176.6	13.3	0	0	113	S272 E273 F274 T283	S272-Q276 WeakPolarHBondContact O-CG 3.3Å; S272-Q276 PolarHBondContact O-N 3.19Å; E273-Q276 PolarHBondContact O-N 3.43Å; F274-Q276 PolarHBondContact O-N 3.19Å; Q276-T283 WeakPolarHBondContact O-CG2 3.36Å
277	R	91.4	Very high	88.9	Confident	73 Å²	73	42.2 Å²	42.2	28%	0.275	23%	0.228	S	C	.	.	H	α-helix	trans	-94.4	-28.5	-178.5	-67.7	178.8	179.8	-84.6	-7.1	114.3	N249 E273 F274 R275 R290	N249-R277 PolarHBondContact OD1-NH1 3.27Å; E273-R277 WeakPolarHBondContact O-CG 3.28Å; E273-R277 PolarHBondContact O-N 3.49Å; E273-R277 IonicContact OE1-CZ 3.15Å; E273-R277 IonicContact OE1-NE 3.58Å; E273-R277 PolarHBondContact OE1-NE 3.14Å; E273-R277 IonicContact OE1-NH2 3.54Å; E273-R277 PolarHBondContact OE1-NH2 3.34Å; F274-R277 PolarHBondContact O-N 3.37Å; F274-R277 VanDerWaalsContact O-N 3.16Å; R275-R277 PolarHBondContact O-N 3.12Å; R275-R277 VanDerWaalsContact O-N 3.1Å; R277-R290 PolarHBondContact O-NH1 2.74Å
278	F	92	Very high	88.8	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-130.2	-11.8	-166.9	-59.8	-69.1	0	0	0	115.8	A246 N249 V250 F274 R275 S280 G287 P288 R290 L291	A246-F278 HydrophobicContact CB-CE1 4.2Å; N249-F278 HydrophobicContact CB-CE2 4.16Å; N249-F278 HydrophobicContact CB-CZ 3.71Å; V250-F278 HydrophobicContact CG2-CE2 3.84Å; V250-F278 HydrophobicContact CG2-CZ 3.74Å; F274-F278 AromaticContact CD2-CD2 3.52Å; F274-F278 HydrophobicContact CD2-CD2 3.52Å; F274-F278 AromaticContact CD2-CE2 3.97Å; F274-F278 HydrophobicContact CD2-CE2 3.97Å; F274-F278 HydrophobicContact CE1-CB 4.25Å; F274-F278 HydrophobicContact CE2-CB 4.44Å; F274-F278 AromaticContact CE2-CD2 3.46Å; F274-F278 HydrophobicContact CE2-CD2 3.46Å; F274-F278 VanDerWaalsContact CE2-CD2 3.46Å; F274-F278 AromaticContact CE2-CE2 3.96Å; F274-F278 HydrophobicContact CE2-CE2 3.96Å; F274-F278 HydrophobicContact CE2-CG 4.16Å; F274-F278 HydrophobicContact CG-CD2 4.12Å; F274-F278 HydrophobicContact CZ-CB 4.13Å; F274-F278 HydrophobicContact CZ-CD2 4.02Å; F274-F278 HydrophobicContact CZ-CG 4.3Å; F274-F278 WeakPolarHBondContact O-CD2 3.4Å; F274-F278 PolarHBondContact O-N 3.49Å; R275-F278 PolarHBondContact O-N 2.69Å; F278-S280 PolarHBondContact O-N 2.85Å; F278-G287 CarbonylContact O-C 3.6Å; F278-G287 WeakPolarHBondContact O-CA 3.05Å; F278-P288 WeakPolarHBondContact O-CD 3.41Å; F278-R290 HydrophobicContact CE1-CB 4.33Å; F278-L291 HydrophobicContact CB-CD1 4.21Å; F278-L291 HydrophobicContact CB-CG 4.48Å; F278-L291 HydrophobicContact CD1-CD1 4.4Å; F278-L291 HydrophobicContact CD1-CD2 3.59Å; F278-L291 HydrophobicContact CD1-CG 3.76Å; F278-L291 HydrophobicContact CE1-CD2 3.74Å; F278-L291 HydrophobicContact CE1-CG 4.32Å; F278-L291 HydrophobicContact CG-CD1 4.49Å; F278-L291 HydrophobicContact CG-CD2 4.09Å; F278-L291 HydrophobicContact CG-CG 4.31Å; F278-L291 HydrophobicContact CZ-CD2 4.36Å
279	D	85.9	Confident	88.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.			trans	-69.8	129.9	176.8	-178.7	-74	0	0	0	110.6	R21 C22 R275 D281 L282 T283	R21-D279 IonicContact CZ-OD2 2.74Å; R21-D279 IonicContact NE-OD1 3.57Å; R21-D279 IonicContact NE-OD2 3.26Å; R21-D279 PolarHBondContact NE-OD2 2.89Å; R21-D279 VanDerWaalsContact NE-OD2 3.15Å; R21-D279 IonicContact NH2-OD2 3.77Å; C22-D279 VanDerWaalsContact SG-CA 3.53Å; R275-D279 HydrophobicContact CB-CB 4.18Å; R275-D279 WeakPolarHBondContact O-CB 3.38Å; R275-D279 PolarHBondContact O-N 3.19Å; D279-D281 VanDerWaalsContact C-N 3.32Å; D279-D281 PolarHBondContact O-N 2.89Å; D279-D281 WeakPolarHBondContact OD1-CB 3.4Å; D279-D281 PolarHBondContact OD1-N 3.25Å; D279-L282 HydrophobicContact CB-CB 4.19Å; D279-L282 HydrophobicContact CB-CD1 4.08Å; D279-L282 HydrophobicContact CB-CG 4.13Å; D279-L282 PolarHBondContact O-N 2.86Å; D279-L282 PolarHBondContact OD1-N 2.95Å; D279-T283 WeakPolarHBondContact O-CB 3.37Å; D279-T283 WeakPolarHBondContact O-CG2 2.98Å; D279-T283 PolarHBondContact O-N 2.74Å; D279-T283 PolarHBondContact O-OG1 3.44Å
280	S	82.6	Confident	88.1	Confident	13 Å²	13	42.2 Å²	42.2	9%	0.091	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.4	-177.3	177.4	0	0	0	0	113.1	R21 Q25 F278 A284 G285	R21-S280 WeakPolarHBondContact O-CB 3.46Å; R21-S280 PolarHBondContact O-N 2.71Å; Q25-S280 PolarHBondContact NE2-OG 3.22Å; F278-S280 PolarHBondContact O-N 2.85Å; S280-A284 CarbonylContact O-C 3.57Å; S280-A284 WeakPolarHBondContact O-CA 3.15Å; S280-A284 PolarHBondContact O-N 2.88Å; S280-G285 PolarHBondContact O-N 3.46Å
281	D	83.1	Confident	88	Confident	88 Å²	88	40.7 Å²	40.7	47%	0.471	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-43.7	-176.4	-71.9	2.1	0	0	0	110.4	R21 D279 T283 A284	R21-D281 WeakPolarHBondContact CD-OD2 3.43Å; R21-D281 IonicContact CZ-OD2 2.74Å; R21-D281 IonicContact NE-OD2 3.62Å; R21-D281 IonicContact NH1-OD2 2.82Å; R21-D281 PolarHBondContact NH1-OD2 3.38Å; D279-D281 VanDerWaalsContact C-N 3.32Å; D279-D281 PolarHBondContact O-N 2.89Å; D279-D281 WeakPolarHBondContact OD1-CB 3.4Å; D279-D281 PolarHBondContact OD1-N 3.25Å; D281-T283 PolarHBondContact O-N 3.16Å; D281-A284 PolarHBondContact O-N 3.06Å
282	L	85.2	Confident	87.7	Confident	104 Å²	104	42.9 Å²	42.9	55%	0.545	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.6	179.8	-61.5	-178.5	0	0	0	113	R275 D279	R275-L282 HydrophobicContact CB-CD1 4.14Å; D279-L282 HydrophobicContact CB-CB 4.19Å; D279-L282 HydrophobicContact CB-CD1 4.08Å; D279-L282 HydrophobicContact CB-CG 4.13Å; D279-L282 PolarHBondContact O-N 2.86Å; D279-L282 PolarHBondContact OD1-N 2.95Å
283	T	83.1	Confident	87.6	Confident	19 Å²	19	40.3 Å²	40.3	12%	0.117	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	9.7	-176.2	64.6	0	0	0	0	113.6	Q276 D279 D281 G285 E286 G287	Q276-T283 WeakPolarHBondContact O-CG2 3.36Å; D279-T283 WeakPolarHBondContact O-CB 3.37Å; D279-T283 WeakPolarHBondContact O-CG2 2.98Å; D279-T283 PolarHBondContact O-N 2.74Å; D279-T283 PolarHBondContact O-OG1 3.44Å; D281-T283 PolarHBondContact O-N 3.16Å; T283-G285 PolarHBondContact O-N 3.23Å; T283-E286 VanDerWaalsContact O-CB 3.24Å; T283-E286 WeakPolarHBondContact O-CB 3.41Å; T283-E286 VanDerWaalsContact O-CG 3.3Å; T283-E286 WeakPolarHBondContact O-CG 3.41Å; T283-E286 PolarHBondContact O-N 3.3Å; T283-E286 VanDerWaalsContact O-N 3.17Å; T283-E286 PolarHBondContact OG1-N 3.03Å; T283-G287 WeakPolarHBondContact OG1-CA 3.5Å; T283-G287 PolarHBondContact OG1-N 3.42Å
284	A	84.6	Confident	87.7	Confident	85 Å²	85	39.1 Å²	39.1	70%	0.702	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	38.1	-176.8	0	0	0	0	0	114.1	S280 D281	S280-A284 CarbonylContact O-C 3.57Å; S280-A284 WeakPolarHBondContact O-CA 3.15Å; S280-A284 PolarHBondContact O-N 2.88Å; D281-A284 PolarHBondContact O-N 3.06Å
285	G	77.8	Confident	87.6	Confident	12 Å²	12	39.1 Å²	39.1	12%	0.124	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	4.6	178.4	0	0	0	0	0	115.1	S280 T283 K289	S280-G285 PolarHBondContact O-N 3.46Å; T283-G285 PolarHBondContact O-N 3.23Å; G285-K289 WeakPolarHBondContact O-CG 3.18Å
286	E	81.1	Confident	87.4	Confident	16 Å²	16	35.9 Å²	35.9	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-83.7	-34	-175.8	-68.7	-59.3	131.2	0	0	113.9	Y224 T283 K289 R290	Y224-E286 WeakPolarHBondContact CE2-OE1 3.5Å; Y224-E286 WeakPolarHBondContact CE2-OE2 3.39Å; Y224-E286 PolarHBondContact OH-OE2 2.87Å; T283-E286 VanDerWaalsContact O-CB 3.24Å; T283-E286 WeakPolarHBondContact O-CB 3.41Å; T283-E286 VanDerWaalsContact O-CG 3.3Å; T283-E286 WeakPolarHBondContact O-CG 3.41Å; T283-E286 PolarHBondContact O-N 3.3Å; T283-E286 VanDerWaalsContact O-N 3.17Å; T283-E286 PolarHBondContact OG1-N 3.03Å; E286-K289 PolarHBondContact O-N 3.44Å; E286-K289 IonicContact OE1-NZ 3.73Å; E286-K289 PolarHBondContact OE1-NZ 3.37Å; E286-R290 WeakPolarHBondContact O-CG 3.39Å; E286-R290 PolarHBondContact O-N 2.84Å; E286-R290 VanDerWaalsContact O-N 3.08Å
287	G	85.2	Confident	87.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54	-55.4	178.8	0	0	0	0	0	113.2	F278 T283 K289 R290 L291	F278-G287 CarbonylContact O-C 3.6Å; F278-G287 WeakPolarHBondContact O-CA 3.05Å; T283-G287 WeakPolarHBondContact OG1-CA 3.5Å; T283-G287 PolarHBondContact OG1-N 3.42Å; G287-K289 VanDerWaalsContact C-N 3.32Å; G287-K289 PolarHBondContact O-N 2.89Å; G287-R290 WeakPolarHBondContact O-CB 3.48Å; G287-R290 PolarHBondContact O-N 3.48Å; G287-R290 VanDerWaalsContact O-N 3.13Å; G287-L291 PolarHBondContact O-N 3.45Å; G287-L291 VanDerWaalsContact O-N 3.1Å
288	P	87.2	Confident	87.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-36.9	177.6	-28.8	38.5	0	0	0	114	Q25 V26 F278 R290 L291 R292	Q25-P288 HydrophobicContact CB-CB 3.53Å; Q25-P288 HydrophobicContact CB-CG 4.01Å; V26-P288 HydrophobicContact CG2-CB 3.71Å; F278-P288 WeakPolarHBondContact O-CD 3.41Å; P288-R290 VanDerWaalsContact C-N 3.34Å; P288-R290 PolarHBondContact O-N 3.16Å; P288-L291 PolarHBondContact O-N 3.3Å; P288-R292 PolarHBondContact O-N 2.74Å
289	K	85.9	Confident	87.5	Confident	73 Å²	73	27.1 Å²	27.1	32%	0.317	15%	0.146	S	C	.	.	H	α-helix	trans	-61.7	-41.1	175	-64.4	176.9	-171.4	170.4	0	112	Y224 G285 E286 G287 L291 R292 N293	Y224-K289 HydrophobicContact CE1-CD 4.24Å; G285-K289 WeakPolarHBondContact O-CG 3.18Å; E286-K289 PolarHBondContact O-N 3.44Å; E286-K289 IonicContact OE1-NZ 3.73Å; E286-K289 PolarHBondContact OE1-NZ 3.37Å; G287-K289 VanDerWaalsContact C-N 3.32Å; G287-K289 PolarHBondContact O-N 2.89Å; K289-L291 VanDerWaalsContact C-N 3.32Å; K289-L291 PolarHBondContact O-N 3.15Å; K289-R292 WeakPolarHBondContact O-CB 3.48Å; K289-R292 PolarHBondContact O-N 3.3Å; K289-N293 PolarHBondContact O-N 3.41Å
290	R	90.2	Very high	87.5	Confident	79 Å²	79	27.5 Å²	27.5	30%	0.298	15%	0.148	S	C	.	.	H	α-helix	trans	-63.9	-38.4	175.5	-64.9	164.8	-171.3	171.5	0.5	111.5	A246 R277 F278 E286 G287 P288 N293 L294	A246-R290 HydrophobicContact CB-CB 4.22Å; A246-R290 WeakPolarHBondContact CB-O 3.46Å; R277-R290 PolarHBondContact O-NH1 2.74Å; F278-R290 HydrophobicContact CE1-CB 4.33Å; E286-R290 WeakPolarHBondContact O-CG 3.39Å; E286-R290 PolarHBondContact O-N 2.84Å; E286-R290 VanDerWaalsContact O-N 3.08Å; G287-R290 WeakPolarHBondContact O-CB 3.48Å; G287-R290 PolarHBondContact O-N 3.48Å; G287-R290 VanDerWaalsContact O-N 3.13Å; P288-R290 VanDerWaalsContact C-N 3.34Å; P288-R290 PolarHBondContact O-N 3.16Å; R290-N293 WeakPolarHBondContact O-CB 3.44Å; R290-N293 PolarHBondContact O-N 3.26Å; R290-L294 PolarHBondContact O-N 2.86Å
291	L	92.4	Very high	88.1	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.3	-41.2	173.9	-64.8	-179.6	0	0	0	111.8	F23 V26 V250 F278 G287 P288 K289 N293 L294 Y295 L448	F23-L291 HydrophobicContact CD1-CD1 4.43Å; F23-L291 HydrophobicContact CE1-CD1 4.07Å; V26-L291 HydrophobicContact CG1-CB 4.12Å; V26-L291 HydrophobicContact CG2-CB 4.05Å; V26-L291 HydrophobicContact CG2-CD1 4.18Å; V250-L291 HydrophobicContact CG2-CD2 4.41Å; F278-L291 HydrophobicContact CB-CD1 4.21Å; F278-L291 HydrophobicContact CB-CG 4.48Å; F278-L291 HydrophobicContact CD1-CD1 4.4Å; F278-L291 HydrophobicContact CD1-CD2 3.59Å; F278-L291 HydrophobicContact CD1-CG 3.76Å; F278-L291 HydrophobicContact CE1-CD2 3.74Å; F278-L291 HydrophobicContact CE1-CG 4.32Å; F278-L291 HydrophobicContact CG-CD1 4.49Å; F278-L291 HydrophobicContact CG-CD2 4.09Å; F278-L291 HydrophobicContact CG-CG 4.31Å; F278-L291 HydrophobicContact CZ-CD2 4.36Å; G287-L291 PolarHBondContact O-N 3.45Å; G287-L291 VanDerWaalsContact O-N 3.1Å; P288-L291 PolarHBondContact O-N 3.3Å; K289-L291 VanDerWaalsContact C-N 3.32Å; K289-L291 PolarHBondContact O-N 3.15Å; L291-N293 PolarHBondContact O-N 3.04Å; L291-L294 VanDerWaalsContact O-CB 3.25Å; L291-L294 WeakPolarHBondContact O-CB 3.29Å; L291-L294 PolarHBondContact O-N 3.08Å; L291-Y295 WeakPolarHBondContact O-CD2 3.41Å; L291-Y295 PolarHBondContact O-N 3.34Å; L291-Y295 VanDerWaalsContact O-N 3.15Å; L291-L448 HydrophobicContact CD2-CD1 4.17Å; L291-L448 HydrophobicContact CD2-CD2 3.74Å
292	R	89.3	Confident	88.5	Confident	60 Å²	60	22.9 Å²	22.9	23%	0.226	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-38.5	171.3	-70.2	-177.8	179.8	-158.8	-6.4	112	Q25 V26 L30 D31 P288 K289 L294 Y295 F296	Q25-R292 PolarHBondContact O-NE 3.28Å; Q25-R292 PolarHBondContact O-NH2 3.25Å; V26-R292 HydrophobicContact CG1-CG 4.47Å; L30-R292 HydrophobicContact CD2-CB 4.15Å; L30-R292 HydrophobicContact CD2-CG 4.2Å; D31-R292 IonicContact OD1-NH1 3.72Å; D31-R292 PolarHBondContact OD1-NH1 2.96Å; D31-R292 IonicContact OD2-CZ 3.8Å; D31-R292 IonicContact OD2-NH1 3.39Å; D31-R292 PolarHBondContact OD2-NH1 3.02Å; P288-R292 PolarHBondContact O-N 2.74Å; K289-R292 WeakPolarHBondContact O-CB 3.48Å; K289-R292 PolarHBondContact O-N 3.3Å; R292-L294 VanDerWaalsContact C-N 3.33Å; R292-Y295 PolarHBondContact O-N 3.03Å; R292-F296 PolarHBondContact O-N 3.14Å
293	N	90.7	Very high	88.5	Confident	13 Å²	13	20.6 Å²	20.6	7%	0.07	11%	0.107	C	C	.	.	H	α-helix	trans	-67.7	-31.1	175.5	-68.6	-19.4	0	0	0	113	R239 S242 G243 K289 R290 L291 F296 L297	R239-N293 WeakPolarHBondContact CG-OD1 3.49Å; R239-N293 PolarHBondContact NE-OD1 3.37Å; R239-N293 VanDerWaalsContact NE-OD1 3.15Å; S242-N293 WeakPolarHBondContact CB-ND2 3.49Å; S242-N293 PolarHBondContact OG-ND2 3.1Å; G243-N293 VanDerWaalsContact CA-C 3.5Å; G243-N293 WeakPolarHBondContact CA-O 3.32Å; K289-N293 PolarHBondContact O-N 3.41Å; R290-N293 WeakPolarHBondContact O-CB 3.44Å; R290-N293 PolarHBondContact O-N 3.26Å; L291-N293 PolarHBondContact O-N 3.04Å; N293-F296 PolarHBondContact O-N 3.39Å; N293-L297 PolarHBondContact O-N 2.96Å
294	L	95.1	Very high	88.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-47.7	170.6	180	81.3	0	0	0	111.1	G243 A246 S247 R290 L291 R292 F296 L297 Y298 I441 I445 L448	G243-L294 WeakPolarHBondContact O-CD1 3.42Å; A246-L294 HydrophobicContact CB-CB 4.3Å; S247-L294 VanDerWaalsContact CB-CD1 3.47Å; R290-L294 PolarHBondContact O-N 2.86Å; L291-L294 VanDerWaalsContact O-CB 3.25Å; L291-L294 WeakPolarHBondContact O-CB 3.29Å; L291-L294 PolarHBondContact O-N 3.08Å; R292-L294 VanDerWaalsContact C-N 3.33Å; L294-F296 VanDerWaalsContact C-N 3.32Å; L294-F296 PolarHBondContact O-N 3Å; L294-L297 PolarHBondContact O-N 3.23Å; L294-Y298 PolarHBondContact O-N 2.96Å; L294-I441 HydrophobicContact CD1-CG2 4.13Å; L294-I445 HydrophobicContact CD2-CG1 4.41Å; L294-L448 HydrophobicContact CD2-CD1 3.78Å; L294-L448 HydrophobicContact CD2-CG 4.43Å
295	Y	91.9	Very high	89.3	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.7	-38.5	176.5	-73.6	-76.8	0	0	0	111.9	V26 V37 I40 D41 L291 R292 Y298 L299 I445 L448 R452	V26-Y295 HydrophobicContact CG1-CD2 4.01Å; V26-Y295 HydrophobicContact CG1-CE2 3.69Å; V37-Y295 HydrophobicContact CG1-CD1 4.42Å; V37-Y295 HydrophobicContact CG1-CD2 4.4Å; V37-Y295 HydrophobicContact CG1-CE1 3.78Å; V37-Y295 HydrophobicContact CG1-CE2 3.78Å; V37-Y295 VanDerWaalsContact CG1-CZ 3.42Å; V37-Y295 WeakPolarHBondContact CG1-OH 3.24Å; V37-Y295 HydrophobicContact CG2-CD2 4.47Å; I40-Y295 HydrophobicContact CB-CD1 4.24Å; I40-Y295 HydrophobicContact CB-CE1 4.4Å; I40-Y295 HydrophobicContact CD1-CD1 4.05Å; I40-Y295 HydrophobicContact CG2-CD1 3.86Å; I40-Y295 HydrophobicContact CG2-CE1 4.12Å; D41-Y295 VanDerWaalsContact OD1-CE1 3.32Å; D41-Y295 WeakPolarHBondContact OD1-CE1 3.49Å; D41-Y295 PolarHBondContact OD1-OH 2.96Å; D41-Y295 PolarHBondContact OD2-OH 3.07Å; L291-Y295 WeakPolarHBondContact O-CD2 3.41Å; L291-Y295 PolarHBondContact O-N 3.34Å; L291-Y295 VanDerWaalsContact O-N 3.15Å; R292-Y295 PolarHBondContact O-N 3.03Å; Y295-Y298 WeakPolarHBondContact O-CB 3.39Å; Y295-Y298 PolarHBondContact O-N 2.89Å; Y295-L299 WeakPolarHBondContact O-CG 3.49Å; Y295-L299 PolarHBondContact O-N 3.38Å; Y295-I445 HydrophobicContact CD1-CD1 4.08Å; Y295-I445 HydrophobicContact CD1-CG1 4.32Å; Y295-I445 HydrophobicContact CE1-CD1 4.13Å; Y295-I445 HydrophobicContact CE1-CG1 4.03Å; Y295-I445 HydrophobicContact CE1-CG2 4.16Å; Y295-L448 HydrophobicContact CE2-CD1 3.77Å; Y295-R452 PolarHBondContact OH-NH2 3.49Å; Y295-R452 VanDerWaalsContact OH-NH2 3.09Å
296	F	88.7	Confident	89.9	Confident	1 Å²	1	15.6 Å²	15.6	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-58.6	-49.1	172.5	177	-101	0	0	0	112	R239 L240 R292 N293 L294 Y298 L299 I300 F348 L353	R239-F296 HydrophobicContact CB-CD1 3.57Å; R239-F296 HydrophobicContact CB-CE1 3.75Å; R239-F296 HydrophobicContact CB-CG 4.38Å; R239-F296 VanDerWaalsContact CZ-CD2 3.45Å; R239-F296 VanDerWaalsContact NH1-CD2 3.31Å; L240-F296 HydrophobicContact CD2-CD1 4.2Å; L240-F296 HydrophobicContact CD2-CE1 3.81Å; L240-F296 HydrophobicContact CG-CE1 4.13Å; R292-F296 PolarHBondContact O-N 3.14Å; N293-F296 PolarHBondContact O-N 3.39Å; L294-F296 VanDerWaalsContact C-N 3.32Å; L294-F296 PolarHBondContact O-N 3Å; F296-Y298 VanDerWaalsContact C-N 3.32Å; F296-Y298 PolarHBondContact O-N 3.39Å; F296-L299 PolarHBondContact O-N 3.36Å; F296-I300 HydrophobicContact CD1-CG1 4.44Å; F296-I300 HydrophobicContact CE1-CG1 4.06Å; F296-I300 HydrophobicContact CE2-CD1 4.37Å; F296-I300 HydrophobicContact CE2-CG1 4.3Å; F296-I300 HydrophobicContact CZ-CD1 4.13Å; F296-I300 HydrophobicContact CZ-CG1 3.98Å; F296-I300 WeakPolarHBondContact O-CG1 3.46Å; F296-I300 PolarHBondContact O-N 3.26Å; F296-I300 VanDerWaalsContact O-N 3.1Å; F296-F348 HydrophobicContact CE2-CE2 4.44Å; F296-L353 HydrophobicContact CE2-CD1 4.5Å; F296-L353 HydrophobicContact CZ-CD1 4.23Å
297	L	92.9	Very high	90.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.6	-43.7	176.2	173.8	61.5	0	0	0	111.8	L240 L244 N293 L294 L299 I300 E301 L398 I441	L240-L297 HydrophobicContact CD2-CD1 3.82Å; L244-L297 HydrophobicContact CB-CD2 3.96Å; L244-L297 VanDerWaalsContact N-CD2 3.33Å; N293-L297 PolarHBondContact O-N 2.96Å; L294-L297 PolarHBondContact O-N 3.23Å; L297-L299 VanDerWaalsContact C-N 3.34Å; L297-L299 PolarHBondContact O-N 3.28Å; L297-I300 PolarHBondContact O-N 2.86Å; L297-E301 HydrophobicContact CD1-CG 4.15Å; L297-E301 PolarHBondContact O-N 2.92Å; L297-L398 HydrophobicContact CD1-CD1 3.58Å; L297-L398 HydrophobicContact CD1-CD2 4.18Å; L297-L398 HydrophobicContact CD1-CG 4.47Å; L297-I441 HydrophobicContact CD2-CD1 3.56Å; L297-I441 HydrophobicContact CD2-CG1 4.01Å; L297-I441 HydrophobicContact CG-CD1 4.32Å; L297-I441 HydrophobicContact CG-CG1 4.23Å
298	Y	94.4	Very high	90.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.1	-45.8	176.4	176.6	-95.2	0	0	0	112.4	I40 N44 L294 Y295 F296 I300 E301 L302 F438 I441 I445	I40-Y298 HydrophobicContact CG2-CD1 3.59Å; I40-Y298 HydrophobicContact CG2-CE1 3.53Å; N44-Y298 HydrophobicContact CB-CE2 4.31Å; N44-Y298 WeakPolarHBondContact CB-OH 3.39Å; N44-Y298 WeakPolarHBondContact OD1-CE2 3.45Å; N44-Y298 PolarHBondContact OD1-OH 3.31Å; L294-Y298 PolarHBondContact O-N 2.96Å; Y295-Y298 WeakPolarHBondContact O-CB 3.39Å; Y295-Y298 PolarHBondContact O-N 2.89Å; F296-Y298 VanDerWaalsContact C-N 3.32Å; F296-Y298 PolarHBondContact O-N 3.39Å; Y298-I300 VanDerWaalsContact C-N 3.34Å; Y298-I300 PolarHBondContact O-N 3.18Å; Y298-E301 PolarHBondContact O-N 3.42Å; Y298-L302 HydrophobicContact CE1-CB 4.44Å; Y298-L302 HydrophobicContact CE1-CD2 3.88Å; Y298-L302 WeakPolarHBondContact O-CB 3.46Å; Y298-L302 PolarHBondContact O-N 3.14Å; Y298-F438 HydrophobicContact CD2-CD2 4.38Å; Y298-F438 AromaticContact CD2-CE2 3.58Å; Y298-F438 HydrophobicContact CD2-CE2 3.58Å; Y298-F438 HydrophobicContact CD2-CZ 4.11Å; Y298-F438 HydrophobicContact CE2-CD2 4.45Å; Y298-F438 AromaticContact CE2-CE2 3.38Å; Y298-F438 HydrophobicContact CE2-CE2 3.38Å; Y298-F438 AromaticContact CE2-CZ 3.41Å; Y298-F438 HydrophobicContact CE2-CZ 3.41Å; Y298-F438 VanDerWaalsContact CE2-CZ 3.41Å; Y298-F438 HydrophobicContact CG-CE2 4.39Å; Y298-F438 AromaticContact CZ-CZ 3.84Å; Y298-I441 HydrophobicContact CD2-CG2 4.11Å; Y298-I441 HydrophobicContact CG-CG2 4.42Å; Y298-I445 HydrophobicContact CD1-CD1 3.82Å; Y298-I445 HydrophobicContact CD2-CD1 3.31Å; Y298-I445 HydrophobicContact CE1-CD1 4.3Å; Y298-I445 HydrophobicContact CE2-CD1 3.82Å; Y298-I445 HydrophobicContact CG-CD1 3.28Å
299	L	89.3	Confident	90.7	Very high	6 Å²	6	17 Å²	17	3%	0.031	7%	0.072	C	C	.	.	H	α-helix	trans	-64.9	-38.6	179.7	-69.6	172.1	0	0	0	112	L30 C33 I40 Y295 F296 L297 L302 R303 F344 L346	L30-L299 HydrophobicContact CD1-CD1 3.64Å; C33-L299 HydrophobicContact CB-CD1 3.88Å; I40-L299 HydrophobicContact CD1-CD1 3.99Å; I40-L299 HydrophobicContact CD1-CD2 3.91Å; I40-L299 HydrophobicContact CD1-CG 4.05Å; I40-L299 HydrophobicContact CG1-CD2 4.22Å; Y295-L299 WeakPolarHBondContact O-CG 3.49Å; Y295-L299 PolarHBondContact O-N 3.38Å; F296-L299 PolarHBondContact O-N 3.36Å; L297-L299 VanDerWaalsContact C-N 3.34Å; L297-L299 PolarHBondContact O-N 3.28Å; L299-L302 PolarHBondContact O-N 2.98Å; L299-R303 VanDerWaalsContact O-CB 3.32Å; L299-R303 WeakPolarHBondContact O-CB 3.41Å; L299-R303 PolarHBondContact O-N 2.9Å; L299-F344 HydrophobicContact CD2-CE1 3.95Å; L299-L346 HydrophobicContact CB-CD1 4.36Å; L299-L346 HydrophobicContact CD2-CD1 3.59Å; L299-L346 HydrophobicContact CD2-CG 4.28Å
300	I	87.5	Confident	90.9	Very high	8 Å²	8	16.2 Å²	16.2	4%	0.041	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-48.3	176.9	-67.8	-65.7	0	0	0	111	L240 F296 L297 Y298 R303 A304 L353 L402 L405	L240-I300 HydrophobicContact CD2-CB 4.08Å; L240-I300 HydrophobicContact CD2-CG1 4Å; L240-I300 HydrophobicContact CD2-CG2 3.94Å; F296-I300 HydrophobicContact CD1-CG1 4.44Å; F296-I300 HydrophobicContact CE1-CG1 4.06Å; F296-I300 HydrophobicContact CE2-CD1 4.37Å; F296-I300 HydrophobicContact CE2-CG1 4.3Å; F296-I300 HydrophobicContact CZ-CD1 4.13Å; F296-I300 HydrophobicContact CZ-CG1 3.98Å; F296-I300 WeakPolarHBondContact O-CG1 3.46Å; F296-I300 PolarHBondContact O-N 3.26Å; F296-I300 VanDerWaalsContact O-N 3.1Å; L297-I300 PolarHBondContact O-N 2.86Å; Y298-I300 VanDerWaalsContact C-N 3.34Å; Y298-I300 PolarHBondContact O-N 3.18Å; I300-R303 PolarHBondContact O-N 2.98Å; I300-A304 PolarHBondContact O-N 3.49Å; I300-L353 HydrophobicContact CD1-CD2 4.38Å; I300-L402 HydrophobicContact CG2-CD2 4.39Å; I300-L405 HydrophobicContact CG2-CD1 3.74Å
301	E	93.9	Very high	90.9	Very high	3 Å²	3	13 Å²	13	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-67.2	-39.1	177.5	-69.5	-174.5	168.7	0	0	111.9	L297 Y298 R303 A304 L305 A401 F438 I441	L297-E301 HydrophobicContact CD1-CG 4.15Å; L297-E301 PolarHBondContact O-N 2.92Å; Y298-E301 PolarHBondContact O-N 3.42Å; E301-R303 VanDerWaalsContact C-N 3.33Å; E301-R303 PolarHBondContact O-N 3.11Å; E301-A304 WeakPolarHBondContact O-CB 3.45Å; E301-A304 PolarHBondContact O-N 2.72Å; E301-L305 WeakPolarHBondContact O-CG 3.2Å; E301-L305 PolarHBondContact O-N 2.96Å; E301-A401 HydrophobicContact CG-CB 4.21Å; E301-F438 HydrophobicContact CB-CD2 3.7Å; E301-F438 HydrophobicContact CB-CE2 4.45Å; E301-F438 WeakPolarHBondContact OE2-CA 2.95Å; E301-F438 PolarHBondContact OE2-N 3.17Å; E301-I441 WeakPolarHBondContact OE2-CG1 3.39Å
302	L	92.4	Very high	90.8	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-61.4	-41.2	174.7	-174.2	71.1	0	0	0	111.5	F43 Y298 L299 L305 A306 A341 F344 L346 F438	F43-L302 HydrophobicContact CD1-CD2 4.49Å; F43-L302 HydrophobicContact CE1-CD1 4.13Å; F43-L302 HydrophobicContact CE1-CD2 3.99Å; Y298-L302 HydrophobicContact CE1-CB 4.44Å; Y298-L302 HydrophobicContact CE1-CD2 3.88Å; Y298-L302 WeakPolarHBondContact O-CB 3.46Å; Y298-L302 PolarHBondContact O-N 3.14Å; L299-L302 PolarHBondContact O-N 2.98Å; L302-L305 PolarHBondContact O-N 3.37Å; L302-A306 PolarHBondContact O-N 3.46Å; L302-A341 HydrophobicContact CD1-CB 3.57Å; L302-A341 HydrophobicContact CG-CB 4.29Å; L302-F344 HydrophobicContact CD2-CB 4.23Å; L302-F344 HydrophobicContact CD2-CD1 3.73Å; L302-F344 HydrophobicContact CD2-CE1 4.23Å; L302-F344 HydrophobicContact CD2-CG 3.95Å; L302-L346 HydrophobicContact CD2-CD1 4.06Å; L302-F438 HydrophobicContact CB-CE2 4.03Å; L302-F438 HydrophobicContact CB-CZ 4.42Å; L302-F438 HydrophobicContact CD1-CE2 4.2Å; L302-F438 HydrophobicContact CD1-CZ 3.72Å
303	R	86	Confident	90.8	Very high	57 Å²	57	13.1 Å²	13.1	22%	0.215	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-42.5	175.2	-175.5	59.5	170.7	177	-1.4	111.2	L299 I300 E301 L305 A306 K307 E350 L405	L299-R303 VanDerWaalsContact O-CB 3.32Å; L299-R303 WeakPolarHBondContact O-CB 3.41Å; L299-R303 PolarHBondContact O-N 2.9Å; I300-R303 PolarHBondContact O-N 2.98Å; E301-R303 VanDerWaalsContact C-N 3.33Å; E301-R303 PolarHBondContact O-N 3.11Å; R303-L305 VanDerWaalsContact C-N 3.34Å; R303-L305 PolarHBondContact O-N 2.87Å; R303-A306 PolarHBondContact O-N 2.89Å; R303-K307 WeakPolarHBondContact O-CG 3.42Å; R303-K307 PolarHBondContact O-N 3.07Å; R303-E350 IonicContact CZ-OE1 3.6Å; R303-E350 IonicContact NE-OE1 3.37Å; R303-E350 PolarHBondContact NE-OE1 3.37Å; R303-E350 IonicContact NH2-OE1 3.46Å; R303-E350 PolarHBondContact NH2-OE1 3.14Å; R303-L405 HydrophobicContact CB-CD2 4.23Å; R303-L405 HydrophobicContact CG-CD2 3.77Å
304	A	89.6	Confident	90.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.2	-44.7	174.7	0	0	0	0	0	111.3	I300 E301 A306 K307 V308 A401 I404 L405	I300-A304 PolarHBondContact O-N 3.49Å; E301-A304 WeakPolarHBondContact O-CB 3.45Å; E301-A304 PolarHBondContact O-N 2.72Å; A304-A306 PolarHBondContact O-N 2.94Å; A304-K307 PolarHBondContact O-N 2.04Å; A304-V308 WeakPolarHBondContact O-CG1 3.33Å; A304-V308 PolarHBondContact O-N 2.78Å; A304-A401 HydrophobicContact CB-CB 3.74Å; A304-I404 HydrophobicContact CB-CB 4.28Å; A304-I404 HydrophobicContact CB-CG2 4.15Å; A304-I404 WeakPolarHBondContact O-CG2 3.4Å; A304-L405 HydrophobicContact CB-CD1 4.49Å; A304-L405 HydrophobicContact CB-CD2 4.21Å; A304-L405 HydrophobicContact CB-CG 4.06Å
305	L	94.1	Very high	89.8	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-43	174.9	-69.6	178.9	0	0	0	112.4	E301 L302 R303 K307 V308 L338 A341 L434 L435 F438	E301-L305 WeakPolarHBondContact O-CG 3.2Å; E301-L305 PolarHBondContact O-N 2.96Å; L302-L305 PolarHBondContact O-N 3.37Å; R303-L305 VanDerWaalsContact C-N 3.34Å; R303-L305 PolarHBondContact O-N 2.87Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 3.22Å; L305-V308 WeakPolarHBondContact O-CG1 3.42Å; L305-L338 HydrophobicContact CB-CD2 3.86Å; L305-L338 HydrophobicContact CD2-CD2 3.88Å; L305-L338 HydrophobicContact CG-CD2 4.39Å; L305-L338 WeakPolarHBondContact O-CD2 3.45Å; L305-A341 HydrophobicContact CB-CB 4.24Å; L305-L434 HydrophobicContact CD2-CD2 3.99Å; L305-L434 HydrophobicContact CD2-CG 4.04Å; L305-L435 HydrophobicContact CD2-CD1 4.03Å; L305-L435 HydrophobicContact CD2-CD2 4.25Å; L305-F438 HydrophobicContact CD1-CB 4.11Å; L305-F438 HydrophobicContact CD1-CD1 3.33Å; L305-F438 HydrophobicContact CD1-CD2 3.98Å; L305-F438 HydrophobicContact CD1-CE1 3.62Å; L305-F438 HydrophobicContact CD1-CE2 4.23Å; L305-F438 HydrophobicContact CD1-CG 3.52Å; L305-F438 HydrophobicContact CD1-CZ 4.07Å
306	A	90.1	Very high	89.1	Confident	11 Å²	11	23 Å²	23	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-39.9	175.4	0	0	0	0	0	112.4	L302 R303 A304 L309 A341 K342	L302-A306 PolarHBondContact O-N 3.46Å; R303-A306 PolarHBondContact O-N 2.89Å; A304-A306 PolarHBondContact O-N 2.94Å; A306-L309 WeakPolarHBondContact O-CB 3.46Å; A306-A341 HydrophobicContact CB-CB 4.34Å; A306-K342 HydrophobicContact CB-CB 4.25Å
307	K	85.8	Confident	88.8	Confident	35 Å²	35	24 Å²	24	15%	0.152	14%	0.141	C	C	.	.	H	α-helix	trans	-74.4	-33	-177.5	-72	-69.4	-176.5	-178.4	0	113.6	R303 A304 L305 L309 P310 I404 L405 E408 I411	R303-K307 WeakPolarHBondContact O-CG 3.42Å; R303-K307 PolarHBondContact O-N 3.07Å; A304-K307 PolarHBondContact O-N 2.04Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 3.22Å; K307-L309 VanDerWaalsContact C-N 3.27Å; K307-L309 PolarHBondContact O-N 3.21Å; K307-P310 WeakPolarHBondContact O-CD 3.44Å; K307-I404 HydrophobicContact CB-CG2 4.05Å; K307-L405 HydrophobicContact CG-CD2 4.48Å; K307-E408 HydrophobicContact CD-CG 4.3Å; K307-E408 WeakPolarHBondContact CE-OE1 3.48Å; K307-E408 IonicContact NZ-OE1 2.99Å; K307-E408 PolarHBondContact NZ-OE1 3.48Å; K307-E408 IonicContact NZ-OE2 2.63Å; K307-I411 WeakPolarHBondContact O-CG2 3.45Å
308	V	91.3	Very high	88	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-80.5	-4.8	-179.1	71.6	0	0	0	0	113.6	A304 L305 P310 F311 F312 L338 I404 F424 L426	A304-V308 WeakPolarHBondContact O-CG1 3.33Å; A304-V308 PolarHBondContact O-N 2.78Å; L305-V308 WeakPolarHBondContact O-CG1 3.42Å; V308-P310 VanDerWaalsContact C-N 3.33Å; V308-F311 HydrophobicContact CG2-CB 4Å; V308-F311 HydrophobicContact CG2-CD1 4.21Å; V308-F311 HydrophobicContact CG2-CG 4.41Å; V308-F311 WeakPolarHBondContact O-CB 3.42Å; V308-F311 PolarHBondContact O-N 3.27Å; V308-F312 HydrophobicContact CB-CD2 4.36Å; V308-F312 HydrophobicContact CB-CE2 4.15Å; V308-F312 HydrophobicContact CG1-CD2 3.82Å; V308-F312 HydrophobicContact CG1-CE2 3.54Å; V308-F312 HydrophobicContact CG2-CD2 3.9Å; V308-F312 HydrophobicContact CG2-CE2 3.55Å; V308-F312 WeakPolarHBondContact O-CD2 3.34Å; V308-F312 PolarHBondContact O-N 3.44Å; V308-L338 HydrophobicContact CG1-CD2 4.44Å; V308-I404 HydrophobicContact CB-CD1 3.87Å; V308-I404 HydrophobicContact CB-CG1 4.19Å; V308-I404 HydrophobicContact CB-CG2 3.93Å; V308-I404 HydrophobicContact CG1-CD1 4.16Å; V308-I404 HydrophobicContact CG2-CD1 3.91Å; V308-I404 HydrophobicContact CG2-CG1 4.11Å; V308-F424 HydrophobicContact CG2-CE1 4.32Å; V308-L426 HydrophobicContact CG2-CD1 3.88Å
309	L	92.8	Very high	87.3	Confident	9 Å²	9	30.3 Å²	30.3	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-46.6	-44.4	177.4	175.3	68	0	0	0	114.5	A306 K307 F311 F312 S313 L335 L338 N339 K342	A306-L309 WeakPolarHBondContact O-CB 3.46Å; K307-L309 VanDerWaalsContact C-N 3.27Å; K307-L309 PolarHBondContact O-N 3.21Å; L309-F311 VanDerWaalsContact C-N 3.29Å; L309-F311 PolarHBondContact O-N 2.72Å; L309-F312 PolarHBondContact O-N 3.47Å; L309-S313 WeakPolarHBondContact O-CB 3.35Å; L309-S313 PolarHBondContact O-N 3.32Å; L309-S313 PolarHBondContact O-OG 2.78Å; L309-L335 HydrophobicContact CD1-CD2 4.03Å; L309-L338 HydrophobicContact CB-CB 4.27Å; L309-L338 HydrophobicContact CD1-CB 3.57Å; L309-L338 HydrophobicContact CD1-CD1 4.25Å; L309-L338 HydrophobicContact CG-CB 4.47Å; L309-N339 WeakPolarHBondContact CD2-OD1 3.48Å; L309-K342 HydrophobicContact CD2-CB 4.47Å; L309-K342 HydrophobicContact CD2-CD 3.6Å
310	P	90.6	Very high	86.7	Confident	57 Å²	57	35.7 Å²	35.7	37%	0.37	19%	0.191	S	C	.	.	H	α-helix	trans	-60.2	-35.9	179.5	-24	36.1	0	0	0	113.4	K307 V308 S313 Q314 I411	K307-P310 WeakPolarHBondContact O-CD 3.44Å; V308-P310 VanDerWaalsContact C-N 3.33Å; P310-S313 PolarHBondContact O-N 3.38Å; P310-Q314 PolarHBondContact O-N 3.25Å; P310-I411 HydrophobicContact CB-CG2 4.2Å; P310-I411 HydrophobicContact CG-CG2 4.1Å
311	F	89.4	Confident	85.9	Confident	13 Å²	13	35.4 Å²	35.4	6%	0.057	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-48.7	177.7	172.1	-97	0	0	0	111.4	V308 L309 S313 Q314 F317 L414 F424 L426	V308-F311 HydrophobicContact CG2-CB 4Å; V308-F311 HydrophobicContact CG2-CD1 4.21Å; V308-F311 HydrophobicContact CG2-CG 4.41Å; V308-F311 WeakPolarHBondContact O-CB 3.42Å; V308-F311 PolarHBondContact O-N 3.27Å; L309-F311 VanDerWaalsContact C-N 3.29Å; L309-F311 PolarHBondContact O-N 2.72Å; F311-S313 VanDerWaalsContact C-N 3.27Å; F311-S313 PolarHBondContact O-N 2.98Å; F311-Q314 WeakPolarHBondContact O-CB 3.31Å; F311-Q314 WeakPolarHBondContact O-CG 3.49Å; F311-Q314 PolarHBondContact O-N 3.11Å; F311-F317 AromaticContact CE1-CD2 3.72Å; F311-F317 HydrophobicContact CE1-CD2 3.72Å; F311-F317 AromaticContact CE1-CE2 3.79Å; F311-F317 HydrophobicContact CE1-CE2 3.79Å; F311-F317 AromaticContact CZ-CD2 3.96Å; F311-F317 HydrophobicContact CZ-CD2 3.96Å; F311-F317 HydrophobicContact CZ-CE2 4.25Å; F311-L414 HydrophobicContact CB-CD1 4.01Å; F311-L414 HydrophobicContact CD2-CD1 4.43Å; F311-F424 HydrophobicContact CD2-CD1 4.08Å; F311-F424 HydrophobicContact CD2-CE1 4.42Å; F311-F424 HydrophobicContact CG-CD1 4.46Å; F311-F424 HydrophobicContact CG-CE1 4.44Å; F311-L426 HydrophobicContact CD1-CD1 4.28Å; F311-L426 HydrophobicContact CE1-CB 4.03Å; F311-L426 HydrophobicContact CE1-CD1 4.17Å; F311-L426 HydrophobicContact CE1-CG 4.33Å; F311-L426 HydrophobicContact CZ-CB 4.02Å; F311-L426 HydrophobicContact CZ-CG 4.49Å
312	F	90.2	Very high	84.8	Confident	1 Å²	1	37 Å²	37	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-71.2	-23	179.5	-69.8	-70.8	0	0	0	113.5	V308 L309 Q314 F317 L334 L335 L338 L426 V431	V308-F312 HydrophobicContact CB-CD2 4.36Å; V308-F312 HydrophobicContact CB-CE2 4.15Å; V308-F312 HydrophobicContact CG1-CD2 3.82Å; V308-F312 HydrophobicContact CG1-CE2 3.54Å; V308-F312 HydrophobicContact CG2-CD2 3.9Å; V308-F312 HydrophobicContact CG2-CE2 3.55Å; V308-F312 WeakPolarHBondContact O-CD2 3.34Å; V308-F312 PolarHBondContact O-N 3.44Å; L309-F312 PolarHBondContact O-N 3.47Å; F312-Q314 PolarHBondContact O-N 3.19Å; F312-F317 AromaticContact CD1-CD1 3.81Å; F312-F317 HydrophobicContact CD1-CD1 3.81Å; F312-F317 HydrophobicContact CD1-CD2 4.43Å; F312-F317 AromaticContact CD1-CE1 3.4Å; F312-F317 HydrophobicContact CD1-CE1 3.4Å; F312-F317 HydrophobicContact CD1-CE2 4.06Å; F312-F317 HydrophobicContact CD1-CG 4.32Å; F312-F317 AromaticContact CD1-CZ 3.53Å; F312-F317 HydrophobicContact CD1-CZ 3.53Å; F312-F317 AromaticContact CE1-CE1 3.8Å; F312-F317 HydrophobicContact CE1-CE1 3.8Å; F312-F317 AromaticContact CE1-CE2 3.91Å; F312-F317 HydrophobicContact CE1-CE2 3.91Å; F312-F317 AromaticContact CE1-CZ 3.43Å; F312-F317 HydrophobicContact CE1-CZ 3.43Å; F312-F317 VanDerWaalsContact CE1-CZ 3.43Å; F312-L334 HydrophobicContact CB-CD2 4.49Å; F312-L334 HydrophobicContact CD1-CD2 3.6Å; F312-L334 HydrophobicContact CE1-CD2 3.92Å; F312-L334 HydrophobicContact CG-CD2 4.07Å; F312-L335 HydrophobicContact CB-CD2 4.08Å; F312-L338 HydrophobicContact CB-CD1 3.73Å; F312-L338 HydrophobicContact CD2-CD1 3.41Å; F312-L338 VanDerWaalsContact CD2-CD1 3.41Å; F312-L338 HydrophobicContact CE2-CD1 4.25Å; F312-L338 HydrophobicContact CG-CD1 3.77Å; F312-L426 HydrophobicContact CZ-CD1 4.43Å; F312-V431 HydrophobicContact CE1-CG1 3.87Å; F312-V431 HydrophobicContact CE1-CG2 4.03Å; F312-V431 HydrophobicContact CZ-CG1 4.02Å; F312-V431 HydrophobicContact CZ-CG2 4.01Å
313	S	90	Very high	84	Confident	61 Å²	61	42.8 Å²	42.8	43%	0.427	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.5	176.9	-58.3	0	0	0	0	113	L309 P310 F311	L309-S313 WeakPolarHBondContact O-CB 3.35Å; L309-S313 PolarHBondContact O-N 3.32Å; L309-S313 PolarHBondContact O-OG 2.78Å; P310-S313 PolarHBondContact O-N 3.38Å; F311-S313 VanDerWaalsContact C-N 3.27Å; F311-S313 PolarHBondContact O-N 2.98Å
314	Q	84.2	Confident	83.6	Confident	29 Å²	29	45 Å²	45	14%	0.136	25%	0.251	C	S	.	.	S	Bend	trans	-62.8	138.1	178.8	-67.2	-171.8	-26.2	0	0	111.3	P310 F311 F312 S316 F317 K331 P415	P310-Q314 PolarHBondContact O-N 3.25Å; F311-Q314 WeakPolarHBondContact O-CB 3.31Å; F311-Q314 WeakPolarHBondContact O-CG 3.49Å; F311-Q314 PolarHBondContact O-N 3.11Å; F312-Q314 PolarHBondContact O-N 3.19Å; Q314-S316 PolarHBondContact O-N 3.17Å; Q314-F317 PolarHBondContact O-N 3.23Å; Q314-K331 PolarHBondContact O-NZ 3.47Å; Q314-P415 PolarHBondContact NE2-O 3.49Å
315	P	80.1	Confident	83.4	Confident	114 Å²	114	53.4 Å²	53.4	74%	0.74	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.2	175.4	-24.3	34.2	0	0	0	113.2	F317	P315-F317 VanDerWaalsContact C-N 3.34Å
316	S	77.4	Confident	82.8	Confident	77 Å²	77	55.1 Å²	55.1	54%	0.538	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-27.8	178.8	51.2	0	0	0	0	113.5	Q314	Q314-S316 PolarHBondContact O-N 3.17Å
317	F	82.4	Confident	82.3	Confident	23 Å²	23	55.4 Å²	55.4	10%	0.101	30%	0.298	C	S	.	.			trans	-74.4	129.8	-179.9	-178.8	-92.2	0	0	0	110.7	F311 F312 Q314 P315 L319 K331	F311-F317 AromaticContact CE1-CD2 3.72Å; F311-F317 HydrophobicContact CE1-CD2 3.72Å; F311-F317 AromaticContact CE1-CE2 3.79Å; F311-F317 HydrophobicContact CE1-CE2 3.79Å; F311-F317 AromaticContact CZ-CD2 3.96Å; F311-F317 HydrophobicContact CZ-CD2 3.96Å; F311-F317 HydrophobicContact CZ-CE2 4.25Å; F312-F317 AromaticContact CD1-CD1 3.81Å; F312-F317 HydrophobicContact CD1-CD1 3.81Å; F312-F317 HydrophobicContact CD1-CD2 4.43Å; F312-F317 AromaticContact CD1-CE1 3.4Å; F312-F317 HydrophobicContact CD1-CE1 3.4Å; F312-F317 HydrophobicContact CD1-CE2 4.06Å; F312-F317 HydrophobicContact CD1-CG 4.32Å; F312-F317 AromaticContact CD1-CZ 3.53Å; F312-F317 HydrophobicContact CD1-CZ 3.53Å; F312-F317 AromaticContact CE1-CE1 3.8Å; F312-F317 HydrophobicContact CE1-CE1 3.8Å; F312-F317 AromaticContact CE1-CE2 3.91Å; F312-F317 HydrophobicContact CE1-CE2 3.91Å; F312-F317 AromaticContact CE1-CZ 3.43Å; F312-F317 HydrophobicContact CE1-CZ 3.43Å; F312-F317 VanDerWaalsContact CE1-CZ 3.43Å; Q314-F317 PolarHBondContact O-N 3.23Å; P315-F317 VanDerWaalsContact C-N 3.34Å; F317-L319 HydrophobicContact CE1-CD2 3.58Å; F317-L319 HydrophobicContact CE1-CG 4Å; F317-L319 HydrophobicContact CZ-CD2 3.72Å; F317-K331 WeakPolarHBondContact O-CE 3.42Å; F317-K331 PolarHBondContact O-NZ 3.26Å
318	Q	76.5	Confident	82.5	Confident	129 Å²	129	58.4 Å²	58.4	60%	0.603	31%	0.313	S	S	*	.			trans	-135.6	138.2	179.7	-64.5	-177	-1.8	0	0	111.1	Y320	Q318-Y320 PolarHBondContact O-N 3.12Å
319	L	79.6	Confident	82.7	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	34%	0.34	C	S	.	.			trans	-83.5	55.5	171.3	-65.6	-179.3	0	0	0	110.9	Y60 F61 F317 T321 D327 K331 L334	Y60-L319 HydrophobicContact CD1-CD2 3.77Å; Y60-L319 HydrophobicContact CD2-CB 3.73Å; Y60-L319 HydrophobicContact CD2-CD2 4.04Å; Y60-L319 HydrophobicContact CD2-CG 4.48Å; Y60-L319 WeakPolarHBondContact CD2-O 3.3Å; Y60-L319 HydrophobicContact CE1-CD2 3.6Å; Y60-L319 VanDerWaalsContact CE2-CA 3.47Å; Y60-L319 HydrophobicContact CE2-CB 4.05Å; Y60-L319 HydrophobicContact CE2-CD2 3.87Å; Y60-L319 HydrophobicContact CG-CB 4.11Å; Y60-L319 HydrophobicContact CG-CD2 3.99Å; F61-L319 HydrophobicContact CE2-CD1 4.09Å; F61-L319 HydrophobicContact CE2-CD2 4.33Å; F61-L319 HydrophobicContact CZ-CD2 4.18Å; F317-L319 HydrophobicContact CE1-CD2 3.58Å; F317-L319 HydrophobicContact CE1-CG 4Å; F317-L319 HydrophobicContact CZ-CD2 3.72Å; L319-T321 PolarHBondContact O-N 2.96Å; L319-D327 WeakPolarHBondContact O-CB 3.49Å; L319-K331 HydrophobicContact CD1-CB 4.25Å; L319-L334 HydrophobicContact CD1-CD2 4.25Å; L319-L334 HydrophobicContact CD2-CD2 4.34Å
320	Y	77.4	Confident	82.6	Confident	119 Å²	119	66.1 Å²	66.1	47%	0.467	35%	0.345	S	S	.	.			trans	-63	118	-169.9	-177.3	-106.3	0	0	0	113.2	G99 Q318 D327 R428	G99-Y320 VanDerWaalsContact CA-CE1 3.42Å; Q318-Y320 PolarHBondContact O-N 3.12Å; Y320-D327 WeakPolarHBondContact CA-OD2 3.01Å; Y320-R428 PolarHBondContact O-NH1 3.25Å; Y320-R428 PolarHBondContact O-NH2 3.29Å
321	T	70.6	Confident	82.7	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.018	33%	0.333	C	S	.	.	S	Bend	trans	-118.9	-6.6	170.4	70.8	0	0	0	0	112.8	H59 Y60 P97 G99 I100 L319 D327	H59-T321 HydrophobicContact CB-CG2 4.05Å; Y60-T321 HydrophobicContact CD2-CG2 4.03Å; Y60-T321 HydrophobicContact CG-CG2 4.42Å; P97-T321 WeakPolarHBondContact CB-O 3.44Å; G99-T321 WeakPolarHBondContact CA-O 3.46Å; G99-T321 PolarHBondContact N-O 3.38Å; G99-T321 VanDerWaalsContact N-O 3.16Å; I100-T321 HydrophobicContact CD1-CG2 4.19Å; L319-T321 PolarHBondContact O-N 2.96Å; T321-D327 VanDerWaalsContact CB-OD1 3.31Å; T321-D327 WeakPolarHBondContact CB-OD1 3.25Å; T321-D327 WeakPolarHBondContact CG2-OD1 3.49Å; T321-D327 PolarHBondContact N-OD1 3.12Å; T321-D327 VanDerWaalsContact N-OD1 3.17Å; T321-D327 PolarHBondContact N-OD2 3.2Å; T321-D327 PolarHBondContact OG1-OD1 2.98Å
322	G	70.4	Confident	83	Confident	36 Å²	36	69.3 Å²	69.3	37%	0.371	36%	0.355	S	S	.	.	S	Bend	trans	92.9	7.1	-170.9	0	0	0	0	0	113.2
323	R	75.3	Confident	83.4	Confident	122 Å²	122	70.8 Å²	70.8	46%	0.46	36%	0.362	S	S	.	.			trans	-126.3	90.8	179.7	-67.3	-180	177.9	-175.5	2.5	109.8	H59 E325 E326 D327	H59-R323 PolarHBondContact CE1-NH1 3.29Å; R323-E325 VanDerWaalsContact C-N 3.35Å; R323-E325 PolarHBondContact O-N 2.84Å; R323-E326 HydrophobicContact CB-CB 3.92Å; R323-E326 WeakPolarHBondContact CD-OE2 3.33Å; R323-E326 IonicContact NH1-OE2 3.68Å; R323-E326 PolarHBondContact NH1-OE2 3.34Å; R323-E326 PolarHBondContact O-N 2.71Å; R323-E326 VanDerWaalsContact O-N 3.1Å; R323-D327 WeakPolarHBondContact O-CB 3.3Å; R323-D327 PolarHBondContact O-N 3.07Å
324	P	78.2	Confident	83.7	Confident	103 Å²	103	67.9 Å²	67.9	67%	0.669	34%	0.342	S	S	*	.	H	α-helix	trans	-62.1	-37.1	-166.3	23	-33.7	0	0	0	114.1	Q328	P324-Q328 WeakPolarHBondContact O-CB 3.26Å; P324-Q328 PolarHBondContact O-N 2.66Å
325	E	85.3	Confident	84.3	Confident	178 Å²	178	68.3 Å²	68.3	83%	0.832	35%	0.345	S	S	*	.	H	α-helix	trans	-65.1	-41.2	177.3	-63.7	-179.1	-179.1	0	0	112	R323 K329	R323-E325 VanDerWaalsContact C-N 3.35Å; R323-E325 PolarHBondContact O-N 2.84Å; E325-K329 WeakPolarHBondContact O-CB 3.39Å; E325-K329 PolarHBondContact O-N 3.41Å; E325-K329 VanDerWaalsContact O-N 3.14Å
326	E	81.7	Confident	85.1	Confident	36 Å²	36	66.8 Å²	66.8	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-70.8	-42.6	178.6	-170.1	173.9	-176.3	0	0	110.9	H59 R323 Q328 K329 Y330	H59-E326 IonicContact CE1-OE1 3.21Å; H59-E326 PolarHBondContact CE1-OE1 3.12Å; H59-E326 IonicContact CE1-OE2 3.35Å; H59-E326 IonicContact CG-OE1 3.61Å; H59-E326 VanDerWaalsContact ND1-CD 3.26Å; H59-E326 IonicContact ND1-OE1 2.72Å; H59-E326 PolarHBondContact ND1-OE1 3.34Å; H59-E326 IonicContact ND1-OE2 2.66Å; H59-E326 PolarHBondContact ND1-OE2 3.12Å; H59-E326 VanDerWaalsContact ND1-OE2 3.11Å; R323-E326 HydrophobicContact CB-CB 3.92Å; R323-E326 WeakPolarHBondContact CD-OE2 3.33Å; R323-E326 IonicContact NH1-OE2 3.68Å; R323-E326 PolarHBondContact NH1-OE2 3.34Å; R323-E326 PolarHBondContact O-N 2.71Å; R323-E326 VanDerWaalsContact O-N 3.1Å; E326-Q328 PolarHBondContact O-N 2.8Å; E326-K329 PolarHBondContact O-N 2.99Å; E326-Y330 HydrophobicContact CG-CD2 3.57Å; E326-Y330 HydrophobicContact CG-CE2 3.36Å; E326-Y330 WeakPolarHBondContact O-CD2 3.23Å; E326-Y330 PolarHBondContact O-N 2.92Å; E326-Y330 WeakPolarHBondContact OE1-CE2 3.42Å
327	D	79.9	Confident	86	Confident	17 Å²	17	63.2 Å²	63.2	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-42.9	179.2	-64	-11.1	0	0	0	111.3	L319 Y320 T321 R323 K331	L319-D327 WeakPolarHBondContact O-CB 3.49Å; Y320-D327 WeakPolarHBondContact CA-OD2 3.01Å; T321-D327 VanDerWaalsContact CB-OD1 3.31Å; T321-D327 WeakPolarHBondContact CB-OD1 3.25Å; T321-D327 WeakPolarHBondContact CG2-OD1 3.49Å; T321-D327 PolarHBondContact N-OD1 3.12Å; T321-D327 VanDerWaalsContact N-OD1 3.17Å; T321-D327 PolarHBondContact N-OD2 3.2Å; T321-D327 PolarHBondContact OG1-OD1 2.98Å; R323-D327 WeakPolarHBondContact O-CB 3.3Å; R323-D327 PolarHBondContact O-N 3.07Å; D327-K331 WeakPolarHBondContact O-CB 3.42Å; D327-K331 PolarHBondContact O-N 3.44Å
328	Q	89.8	Confident	86.6	Confident	97 Å²	97	62.1 Å²	62.1	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-68	-46.5	176.8	-178.3	59.9	26.4	0	0	111.6	P324 E326 Y330 K331 E332	P324-Q328 WeakPolarHBondContact O-CB 3.26Å; P324-Q328 PolarHBondContact O-N 2.66Å; E326-Q328 PolarHBondContact O-N 2.8Å; Q328-Y330 VanDerWaalsContact C-N 3.34Å; Q328-Y330 PolarHBondContact O-N 3.42Å; Q328-K331 WeakPolarHBondContact O-CB 3.47Å; Q328-K331 PolarHBondContact O-N 3.09Å; Q328-K331 VanDerWaalsContact O-N 3.14Å; Q328-E332 PolarHBondContact NE2-OE1 3.32Å; Q328-E332 PolarHBondContact O-N 2.78Å
329	K	94	Very high	87.5	Confident	134 Å²	134	60 Å²	60	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-56	-46.8	177.6	178.3	-173.6	175.6	-174.1	0	111.9	E325 E326 E332 L333	E325-K329 WeakPolarHBondContact O-CB 3.39Å; E325-K329 PolarHBondContact O-N 3.41Å; E325-K329 VanDerWaalsContact O-N 3.14Å; E326-K329 PolarHBondContact O-N 2.99Å; K329-E332 PolarHBondContact O-N 3.23Å; K329-L333 PolarHBondContact O-N 3.32Å; K329-L333 VanDerWaalsContact O-N 3.07Å
330	Y	92.3	Very high	88.2	Confident	38 Å²	38	61.2 Å²	61.2	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-75.9	-24.5	179.5	-72.3	-62.1	0	0	0	113.2	P54 L55 S58 E326 Q328 L333 L334	P54-Y330 WeakPolarHBondContact O-CE1 3.41Å; L55-Y330 HydrophobicContact CD1-CD1 4.02Å; L55-Y330 HydrophobicContact CD1-CG 4.45Å; S58-Y330 VanDerWaalsContact CB-CZ 3.45Å; E326-Y330 HydrophobicContact CG-CD2 3.57Å; E326-Y330 HydrophobicContact CG-CE2 3.36Å; E326-Y330 WeakPolarHBondContact O-CD2 3.23Å; E326-Y330 PolarHBondContact O-N 2.92Å; E326-Y330 WeakPolarHBondContact OE1-CE2 3.42Å; Q328-Y330 VanDerWaalsContact C-N 3.34Å; Q328-Y330 PolarHBondContact O-N 3.42Å; Y330-L333 HydrophobicContact CD1-CD2 4Å; Y330-L333 HydrophobicContact CE1-CD2 4.26Å; Y330-L334 VanDerWaalsContact O-CB 3.3Å; Y330-L334 WeakPolarHBondContact O-CB 3.02Å; Y330-L334 PolarHBondContact O-N 3.15Å
331	K	92.6	Very high	88.8	Confident	28 Å²	28	55.7 Å²	55.7	12%	0.122	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-43.6	169.9	-177.3	177	178.2	176.1	0	110.5	Q314 F317 L319 D327 Q328 L334 L335	Q314-K331 PolarHBondContact O-NZ 3.47Å; F317-K331 WeakPolarHBondContact O-CE 3.42Å; F317-K331 PolarHBondContact O-NZ 3.26Å; L319-K331 HydrophobicContact CD1-CB 4.25Å; D327-K331 WeakPolarHBondContact O-CB 3.42Å; D327-K331 PolarHBondContact O-N 3.44Å; Q328-K331 WeakPolarHBondContact O-CB 3.47Å; Q328-K331 PolarHBondContact O-N 3.09Å; Q328-K331 VanDerWaalsContact O-N 3.14Å; K331-L334 PolarHBondContact O-N 2.95Å; K331-L335 HydrophobicContact CG-CD1 4.41Å; K331-L335 WeakPolarHBondContact O-CG 3.31Å; K331-L335 PolarHBondContact O-N 3.33Å
332	E	96	Very high	89.7	Confident	109 Å²	109	62 Å²	62	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-45.5	175.6	-71.6	168.3	-167.6	0	0	111.8	Q328 K329 L334 L335 E336	Q328-E332 PolarHBondContact NE2-OE1 3.32Å; Q328-E332 PolarHBondContact O-N 2.78Å; K329-E332 PolarHBondContact O-N 3.23Å; E332-L334 VanDerWaalsContact C-N 3.34Å; E332-L334 PolarHBondContact O-N 2.82Å; E332-L335 PolarHBondContact O-N 3.36Å; E332-E336 PolarHBondContact O-N 2.63Å
333	L	96.8	Very high	90.6	Very high	31 Å²	31	64 Å²	64	16%	0.162	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-41.4	176	-176.9	61.8	0	0	0	112.3	R51 P54 L55 K329 Y330 E336 I337	R51-L333 HydrophobicContact CB-CD1 4.12Å; R51-L333 HydrophobicContact CG-CD1 4.47Å; P54-L333 HydrophobicContact CB-CD2 4.24Å; L55-L333 HydrophobicContact CB-CD2 4.01Å; L55-L333 HydrophobicContact CD1-CD2 4.4Å; K329-L333 PolarHBondContact O-N 3.32Å; K329-L333 VanDerWaalsContact O-N 3.07Å; Y330-L333 HydrophobicContact CD1-CD2 4Å; Y330-L333 HydrophobicContact CE1-CD2 4.26Å; L333-E336 PolarHBondContact O-N 2.86Å; L333-I337 HydrophobicContact CG-CD1 4.18Å; L333-I337 WeakPolarHBondContact O-CD1 3.26Å; L333-I337 WeakPolarHBondContact O-CG1 3.49Å; L333-I337 PolarHBondContact O-N 3.17Å
334	L	96.5	Very high	91	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-49.3	174	173.9	63.2	0	0	0	110.5	L55 F312 L319 Y330 K331 E332 E336 I337 L338 L435	L55-L334 HydrophobicContact CD1-CB 4.24Å; L55-L334 HydrophobicContact CD2-CB 4.26Å; L55-L334 HydrophobicContact CD2-CD1 3.88Å; F312-L334 HydrophobicContact CB-CD2 4.49Å; F312-L334 HydrophobicContact CD1-CD2 3.6Å; F312-L334 HydrophobicContact CE1-CD2 3.92Å; F312-L334 HydrophobicContact CG-CD2 4.07Å; L319-L334 HydrophobicContact CD1-CD2 4.25Å; L319-L334 HydrophobicContact CD2-CD2 4.34Å; Y330-L334 VanDerWaalsContact O-CB 3.3Å; Y330-L334 WeakPolarHBondContact O-CB 3.02Å; Y330-L334 PolarHBondContact O-N 3.15Å; K331-L334 PolarHBondContact O-N 2.95Å; E332-L334 VanDerWaalsContact C-N 3.34Å; E332-L334 PolarHBondContact O-N 2.82Å; L334-E336 VanDerWaalsContact C-N 3.3Å; L334-E336 PolarHBondContact O-N 3.14Å; L334-I337 PolarHBondContact O-N 3Å; L334-L338 HydrophobicContact CD1-CD1 4.09Å; L334-L338 HydrophobicContact CD1-CD2 4.35Å; L334-L338 HydrophobicContact CD1-CG 4.08Å; L334-L338 HydrophobicContact CG-CD1 4.05Å; L334-L338 HydrophobicContact CG-CG 4.39Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.11Å; L334-L435 HydrophobicContact CD1-CD1 4.06Å; L334-L435 HydrophobicContact CD1-CD2 4.41Å; L334-L435 HydrophobicContact CD1-CG 4.26Å
335	L	96.8	Very high	90.5	Very high	38 Å²	38	58 Å²	58	20%	0.199	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-36.8	178.5	-69.6	173.3	0	0	0	112.4	L309 F312 K331 E332 L338 N339	L309-L335 HydrophobicContact CD1-CD2 4.03Å; F312-L335 HydrophobicContact CB-CD2 4.08Å; K331-L335 HydrophobicContact CG-CD1 4.41Å; K331-L335 WeakPolarHBondContact O-CG 3.31Å; K331-L335 PolarHBondContact O-N 3.33Å; E332-L335 PolarHBondContact O-N 3.36Å; L335-L338 PolarHBondContact O-N 3.07Å; L335-N339 WeakPolarHBondContact O-CB 3.4Å; L335-N339 PolarHBondContact O-N 3.43Å; L335-N339 PolarHBondContact O-ND2 3.48Å
336	E	96.7	Very high	89.5	Confident	82 Å²	82	50.9 Å²	50.9	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-48.5	173.4	-171.9	-175.4	174.8	0	0	111.1	R51 E332 L333 L334 L338 N339 L340	R51-E336 IonicContact CZ-OE1 3.17Å; R51-E336 IonicContact NE-OE1 3.95Å; R51-E336 PolarHBondContact NE-OE1 2.57Å; R51-E336 IonicContact NH2-OE1 3.81Å; R51-E336 PolarHBondContact NH2-OE1 3.12Å; E332-E336 PolarHBondContact O-N 2.63Å; L333-E336 PolarHBondContact O-N 2.86Å; L334-E336 VanDerWaalsContact C-N 3.3Å; L334-E336 PolarHBondContact O-N 3.14Å; E336-L338 PolarHBondContact O-N 3.39Å; E336-N339 PolarHBondContact O-N 3.43Å; E336-L340 WeakPolarHBondContact O-CG 3.48Å; E336-L340 PolarHBondContact O-N 3.04Å
337	I	96.8	Very high	88	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-43.8	178.2	-67.3	159	0	0	0	111.3	I48 R51 L52 L55 L333 L334 N339 L340 A341	I48-I337 HydrophobicContact CD1-CG2 4.45Å; R51-I337 HydrophobicContact CB-CD1 4.15Å; R51-I337 HydrophobicContact CB-CG1 3.79Å; L52-I337 HydrophobicContact CD1-CD1 4.42Å; L55-I337 HydrophobicContact CB-CD1 4.14Å; L55-I337 HydrophobicContact CD2-CD1 3.73Å; L55-I337 HydrophobicContact CG-CD1 4.5Å; L333-I337 HydrophobicContact CG-CD1 4.18Å; L333-I337 WeakPolarHBondContact O-CD1 3.26Å; L333-I337 WeakPolarHBondContact O-CG1 3.49Å; L333-I337 PolarHBondContact O-N 3.17Å; L334-I337 PolarHBondContact O-N 3Å; I337-N339 VanDerWaalsContact C-N 3.35Å; I337-L340 WeakPolarHBondContact O-CB 3.38Å; I337-L340 PolarHBondContact O-N 2.93Å; I337-A341 PolarHBondContact O-N 2.89Å
338	L	95.8	Very high	86.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-35.5	179.3	-62.4	178.4	0	0	0	112	L305 V308 L309 F312 L334 L335 E336 A341 K342	L305-L338 HydrophobicContact CB-CD2 3.86Å; L305-L338 HydrophobicContact CD2-CD2 3.88Å; L305-L338 HydrophobicContact CG-CD2 4.39Å; L305-L338 WeakPolarHBondContact O-CD2 3.45Å; V308-L338 HydrophobicContact CG1-CD2 4.44Å; L309-L338 HydrophobicContact CB-CB 4.27Å; L309-L338 HydrophobicContact CD1-CB 3.57Å; L309-L338 HydrophobicContact CD1-CD1 4.25Å; L309-L338 HydrophobicContact CG-CB 4.47Å; F312-L338 HydrophobicContact CB-CD1 3.73Å; F312-L338 HydrophobicContact CD2-CD1 3.41Å; F312-L338 VanDerWaalsContact CD2-CD1 3.41Å; F312-L338 HydrophobicContact CE2-CD1 4.25Å; F312-L338 HydrophobicContact CG-CD1 3.77Å; L334-L338 HydrophobicContact CD1-CD1 4.09Å; L334-L338 HydrophobicContact CD1-CD2 4.35Å; L334-L338 HydrophobicContact CD1-CG 4.08Å; L334-L338 HydrophobicContact CG-CD1 4.05Å; L334-L338 HydrophobicContact CG-CG 4.39Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.11Å; L335-L338 PolarHBondContact O-N 3.07Å; E336-L338 PolarHBondContact O-N 3.39Å; L338-A341 PolarHBondContact O-N 3.44Å; L338-K342 WeakPolarHBondContact O-CB 3.41Å; L338-K342 PolarHBondContact O-N 3.04Å
339	N	95.3	Very high	84.7	Confident	84 Å²	84	56 Å²	56	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-67.4	-39.3	172.6	-81.5	-63.3	0	0	0	112	L309 L335 E336 I337 K342 S343	L309-N339 WeakPolarHBondContact CD2-OD1 3.48Å; L335-N339 WeakPolarHBondContact O-CB 3.4Å; L335-N339 PolarHBondContact O-N 3.43Å; L335-N339 PolarHBondContact O-ND2 3.48Å; E336-N339 PolarHBondContact O-N 3.43Å; I337-N339 VanDerWaalsContact C-N 3.35Å; N339-K342 PolarHBondContact O-N 2.95Å; N339-S343 PolarHBondContact O-N 2.81Å
340	L	93.8	Very high	82.7	Confident	28 Å²	28	52.4 Å²	52.4	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-47.2	172	-71.9	171.6	0	0	0	110.8	F43 I48 R51 E336 I337 K342 S343 F344	F43-L340 HydrophobicContact CZ-CB 4.4Å; F43-L340 WeakPolarHBondContact CZ-O 3.41Å; I48-L340 HydrophobicContact CD1-CB 3.74Å; I48-L340 HydrophobicContact CD1-CD1 4.42Å; R51-L340 VanDerWaalsContact CD-CD1 3.45Å; E336-L340 WeakPolarHBondContact O-CG 3.48Å; E336-L340 PolarHBondContact O-N 3.04Å; I337-L340 WeakPolarHBondContact O-CB 3.38Å; I337-L340 PolarHBondContact O-N 2.93Å; L340-K342 VanDerWaalsContact C-N 3.26Å; L340-K342 PolarHBondContact O-N 3.28Å; L340-S343 WeakPolarHBondContact CA-OG 3.44Å; L340-S343 PolarHBondContact O-N 3.34Å; L340-S343 PolarHBondContact O-OG 3.26Å; L340-F344 PolarHBondContact O-N 2.68Å
341	A	91.1	Very high	80.8	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-57	-39.9	175.7	0	0	0	0	0	112.1	L302 L305 A306 I337 L338 F344	L302-A341 HydrophobicContact CD1-CB 3.57Å; L302-A341 HydrophobicContact CG-CB 4.29Å; L305-A341 HydrophobicContact CB-CB 4.24Å; A306-A341 HydrophobicContact CB-CB 4.34Å; I337-A341 PolarHBondContact O-N 2.89Å; L338-A341 PolarHBondContact O-N 3.44Å; A341-F344 WeakPolarHBondContact O-CB 3.4Å; A341-F344 PolarHBondContact O-N 3.45Å
342	K	89	Confident	78.8	Confident	136 Å²	136	56.4 Å²	56.4	59%	0.591	30%	0.299	S	S	*	.	H	α-helix	trans	-68.3	-32.4	174.5	-177.2	175.6	177.1	-179.3	0	113.7	A306 L309 L338 N339 L340 F344	A306-K342 HydrophobicContact CB-CB 4.25Å; L309-K342 HydrophobicContact CD2-CB 4.47Å; L309-K342 HydrophobicContact CD2-CD 3.6Å; L338-K342 WeakPolarHBondContact O-CB 3.41Å; L338-K342 PolarHBondContact O-N 3.04Å; N339-K342 PolarHBondContact O-N 2.95Å; L340-K342 VanDerWaalsContact C-N 3.26Å; L340-K342 PolarHBondContact O-N 3.28Å; K342-F344 VanDerWaalsContact C-N 3.28Å
343	S	88.1	Confident	76.6	Confident	77 Å²	77	51.8 Å²	51.8	54%	0.538	28%	0.278	S	S	.	.	H	α-helix	trans	-74.3	-18.7	178.9	75.5	0	0	0	0	113.6	N339 L340	N339-S343 PolarHBondContact O-N 2.81Å; L340-S343 WeakPolarHBondContact CA-OG 3.44Å; L340-S343 PolarHBondContact O-N 3.34Å; L340-S343 PolarHBondContact O-OG 3.26Å
344	F	84.3	Confident	74.6	Confident	12 Å²	12	52.4 Å²	52.4	5%	0.053	28%	0.28	C	S	.	.	S	Bend	trans	-63.7	127.1	178.4	-170.9	-102.8	0	0	0	109.7	T39 I40 F43 L299 L302 L340 A341 K342 L346	T39-F344 HydrophobicContact CG2-CE2 4.05Å; T39-F344 HydrophobicContact CG2-CZ 4.27Å; I40-F344 HydrophobicContact CG1-CZ 4.15Å; F43-F344 HydrophobicContact CB-CD2 3.91Å; F43-F344 HydrophobicContact CB-CE2 3.65Å; F43-F344 AromaticContact CD1-CD2 3.32Å; F43-F344 HydrophobicContact CD1-CD2 3.32Å; F43-F344 AromaticContact CD1-CE2 3.67Å; F43-F344 HydrophobicContact CD1-CE2 3.67Å; F43-F344 HydrophobicContact CD1-CG 4.07Å; F43-F344 AromaticContact CD2-CD2 3.63Å; F43-F344 HydrophobicContact CD2-CD2 3.63Å; F43-F344 HydrophobicContact CD2-CE2 4.27Å; F43-F344 HydrophobicContact CE1-CB 3.94Å; F43-F344 AromaticContact CE1-CD2 3.62Å; F43-F344 HydrophobicContact CE1-CD2 3.62Å; F43-F344 HydrophobicContact CE1-CE2 4.38Å; F43-F344 AromaticContact CE1-CG 3.94Å; F43-F344 HydrophobicContact CE1-CG 3.94Å; F43-F344 HydrophobicContact CE2-CB 4.21Å; F43-F344 AromaticContact CE2-CD2 3.91Å; F43-F344 HydrophobicContact CE2-CD2 3.91Å; F43-F344 AromaticContact CG-CD2 3.32Å; F43-F344 HydrophobicContact CG-CD2 3.32Å; F43-F344 AromaticContact CG-CE2 3.6Å; F43-F344 HydrophobicContact CG-CE2 3.6Å; F43-F344 HydrophobicContact CG-CG 4.41Å; F43-F344 HydrophobicContact CZ-CB 3.77Å; F43-F344 AromaticContact CZ-CD2 3.91Å; F43-F344 HydrophobicContact CZ-CD2 3.91Å; F43-F344 HydrophobicContact CZ-CG 4.19Å; L299-F344 HydrophobicContact CD2-CE1 3.95Å; L302-F344 HydrophobicContact CD2-CB 4.23Å; L302-F344 HydrophobicContact CD2-CD1 3.73Å; L302-F344 HydrophobicContact CD2-CE1 4.23Å; L302-F344 HydrophobicContact CD2-CG 3.95Å; L340-F344 PolarHBondContact O-N 2.68Å; A341-F344 WeakPolarHBondContact O-CB 3.4Å; A341-F344 PolarHBondContact O-N 3.45Å; K342-F344 VanDerWaalsContact C-N 3.28Å; F344-L346 HydrophobicContact CD1-CB 3.92Å; F344-L346 HydrophobicContact CD1-CD1 3.64Å; F344-L346 HydrophobicContact CD1-CG 4.07Å; F344-L346 HydrophobicContact CE1-CB 4.42Å; F344-L346 HydrophobicContact CE1-CD1 3.87Å; F344-L346 HydrophobicContact CE1-CG 4.2Å; F344-L346 PolarHBondContact O-N 2.86Å
345	P	68.8	Low	72	Confident	86 Å²	86	55.5 Å²	55.5	56%	0.558	31%	0.305	S	S	*	.			trans	-74.4	76.5	-176.2	31.3	-35	0	0	0	109.8
346	L	63.8	Low	69.6	Low	30 Å²	30	55.2 Å²	55.2	16%	0.157	31%	0.312	C	S	.	.			trans	-95.6	103.1	-178.3	-143.5	143.9	0	0	0	109.1	L299 L302 F344 F348	L299-L346 HydrophobicContact CB-CD1 4.36Å; L299-L346 HydrophobicContact CD2-CD1 3.59Å; L299-L346 HydrophobicContact CD2-CG 4.28Å; L302-L346 HydrophobicContact CD2-CD1 4.06Å; F344-L346 HydrophobicContact CD1-CB 3.92Å; F344-L346 HydrophobicContact CD1-CD1 3.64Å; F344-L346 HydrophobicContact CD1-CG 4.07Å; F344-L346 HydrophobicContact CE1-CB 4.42Å; F344-L346 HydrophobicContact CE1-CD1 3.87Å; F344-L346 HydrophobicContact CE1-CG 4.2Å; F344-L346 PolarHBondContact O-N 2.86Å; L346-F348 HydrophobicContact CD2-CB 3.58Å
347	H	49.8	Very low	67.5	Low	146 Å²	146	57.3 Å²	57.3	68%	0.676	33%	0.326	S	S	*	.			trans	-95.3	78	167.7	-61.2	-63.4	0	0	0	108.7	T34	T34-H347 WeakPolarHBondContact OG1-CB 3.02Å; T34-H347 PolarHBondContact OG1-O 2.99Å
348	F	52.6	Low	65.7	Low	19 Å²	19	64.1 Å²	64.1	8%	0.083	36%	0.357	C	S	.	.			trans	-97.9	127.4	163.9	-174.6	-100.9	0	0	0	107.2	F296 L346 E350 L353	F296-F348 HydrophobicContact CE2-CE2 4.44Å; L346-F348 HydrophobicContact CD2-CB 3.58Å; F348-E350 HydrophobicContact CD1-CG 4.22Å; F348-E350 PolarHBondContact O-N 3.18Å; F348-E350 VanDerWaalsContact O-N 3.16Å; F348-E350 VanDerWaalsContact O-OE2 3.08Å; F348-L353 HydrophobicContact CE1-CB 3.6Å; F348-L353 HydrophobicContact CE1-CD2 4.26Å; F348-L353 HydrophobicContact CE1-CG 4.32Å; F348-L353 HydrophobicContact CE2-CD1 4.34Å; F348-L353 HydrophobicContact CZ-CB 3.46Å; F348-L353 VanDerWaalsContact CZ-CB 3.46Å; F348-L353 HydrophobicContact CZ-CD1 3.61Å; F348-L353 HydrophobicContact CZ-CD2 3.88Å; F348-L353 HydrophobicContact CZ-CG 3.8Å
349	D	48	Very low	64.3	Low	91 Å²	91	72.8 Å²	72.8	49%	0.487	40%	0.395	S	S	.	.			trans	-79.7	96.4	173	-169.7	-11.5	0	0	0	107.9	T351 S352	D349-T351 VanDerWaalsContact CG-OG1 3.23Å; D349-T351 PolarHBondContact O-N 3.07Å; D349-T351 VanDerWaalsContact O-N 3.14Å; D349-T351 WeakPolarHBondContact OD1-CB 3.27Å; D349-T351 PolarHBondContact OD1-N 3.08Å; D349-T351 VanDerWaalsContact OD1-N 3.12Å; D349-T351 PolarHBondContact OD1-OG1 3.46Å; D349-T351 PolarHBondContact OD2-OG1 3.42Å; D349-S352 WeakPolarHBondContact O-CB 3.24Å; D349-S352 PolarHBondContact O-N 3.44Å; D349-S352 PolarHBondContact O-OG 2.86Å
350	E	52.9	Low	62.8	Low	59 Å²	59	74.6 Å²	74.6	28%	0.276	40%	0.401	S	S	.	.	H	α-helix	trans	-57.5	-26.8	179.2	-67.4	87.9	175.8	0	0	112.4	R303 F348 S352 L353 F354	R303-E350 IonicContact CZ-OE1 3.6Å; R303-E350 IonicContact NE-OE1 3.37Å; R303-E350 PolarHBondContact NE-OE1 3.37Å; R303-E350 IonicContact NH2-OE1 3.46Å; R303-E350 PolarHBondContact NH2-OE1 3.14Å; F348-E350 HydrophobicContact CD1-CG 4.22Å; F348-E350 PolarHBondContact O-N 3.18Å; F348-E350 VanDerWaalsContact O-N 3.16Å; F348-E350 VanDerWaalsContact O-OE2 3.08Å; E350-S352 VanDerWaalsContact C-N 3.26Å; E350-S352 PolarHBondContact O-N 3.14Å; E350-L353 PolarHBondContact O-N 3.43Å; E350-F354 PolarHBondContact O-N 2.85Å
351	T	51.6	Low	61.3	Low	87 Å²	87	74.6 Å²	74.6	53%	0.534	41%	0.405	S	S	.	.	H	α-helix	trans	-66.1	-31.4	174.4	75.9	0	0	0	0	110.5	D349 L353 A355	D349-T351 VanDerWaalsContact CG-OG1 3.23Å; D349-T351 PolarHBondContact O-N 3.07Å; D349-T351 VanDerWaalsContact O-N 3.14Å; D349-T351 WeakPolarHBondContact OD1-CB 3.27Å; D349-T351 PolarHBondContact OD1-N 3.08Å; D349-T351 VanDerWaalsContact OD1-N 3.12Å; D349-T351 PolarHBondContact OD1-OG1 3.46Å; D349-T351 PolarHBondContact OD2-OG1 3.42Å; T351-L353 VanDerWaalsContact C-N 3.31Å; T351-L353 PolarHBondContact O-N 3.32Å; T351-A355 WeakPolarHBondContact O-CA 3.42Å; T351-A355 WeakPolarHBondContact O-CB 3.47Å; T351-A355 PolarHBondContact O-N 3.45Å
352	S	49.5	Very low	60.2	Low	63 Å²	63	77.1 Å²	77.1	44%	0.441	43%	0.425	S	S	.	.	H	α-helix	trans	-67.7	-27.6	177.6	71.9	0	0	0	0	114.6	V232 D349 E350	V232-S352 WeakPolarHBondContact CG1-O 3.39Å; D349-S352 WeakPolarHBondContact O-CB 3.24Å; D349-S352 PolarHBondContact O-N 3.44Å; D349-S352 PolarHBondContact O-OG 2.86Å; E350-S352 VanDerWaalsContact C-N 3.26Å; E350-S352 PolarHBondContact O-N 3.14Å
353	L	51.7	Low	59.4	Low	13 Å²	13	75 Å²	75	7%	0.068	42%	0.418	C	S	.	.	H	α-helix	trans	-107	-24.9	-174.1	-147.5	95.9	0	0	0	113.8	V232 A236 F296 I300 F348 E350 T351	V232-L353 HydrophobicContact CG1-CD1 4.24Å; A236-L353 HydrophobicContact CB-CD1 3.99Å; A236-L353 HydrophobicContact CB-CD2 3.93Å; A236-L353 HydrophobicContact CB-CG 4.05Å; F296-L353 HydrophobicContact CE2-CD1 4.5Å; F296-L353 HydrophobicContact CZ-CD1 4.23Å; I300-L353 HydrophobicContact CD1-CD2 4.38Å; F348-L353 HydrophobicContact CE1-CB 3.6Å; F348-L353 HydrophobicContact CE1-CD2 4.26Å; F348-L353 HydrophobicContact CE1-CG 4.32Å; F348-L353 HydrophobicContact CE2-CD1 4.34Å; F348-L353 HydrophobicContact CZ-CB 3.46Å; F348-L353 VanDerWaalsContact CZ-CB 3.46Å; F348-L353 HydrophobicContact CZ-CD1 3.61Å; F348-L353 HydrophobicContact CZ-CD2 3.88Å; F348-L353 HydrophobicContact CZ-CG 3.8Å; E350-L353 PolarHBondContact O-N 3.43Å; T351-L353 VanDerWaalsContact C-N 3.31Å; T351-L353 PolarHBondContact O-N 3.32Å
354	F	54.2	Low	58.5	Low	43 Å²	43	72.2 Å²	72.2	19%	0.189	40%	0.397	C	S	.	.	H	α-helix	trans	-130.1	12.4	-179.8	-51.9	-65.9	0	0	0	112.8	E350 G356 L364 F406	E350-F354 PolarHBondContact O-N 2.85Å; F354-G356 PolarHBondContact O-N 3.32Å; F354-L364 HydrophobicContact CD1-CD2 4.13Å; F354-F406 HydrophobicContact CD1-CD1 4.41Å; F354-F406 AromaticContact CD1-CE1 3.4Å; F354-F406 HydrophobicContact CD1-CE1 3.4Å; F354-F406 AromaticContact CD1-CZ 3.62Å; F354-F406 HydrophobicContact CD1-CZ 3.62Å; F354-F406 AromaticContact CE1-CE1 3.59Å; F354-F406 HydrophobicContact CE1-CE1 3.59Å; F354-F406 HydrophobicContact CE1-CE2 4.2Å; F354-F406 AromaticContact CE1-CZ 3.35Å; F354-F406 HydrophobicContact CE1-CZ 3.35Å; F354-F406 HydrophobicContact CG-CE1 4.2Å; F354-F406 HydrophobicContact CZ-CZ 4.3Å
355	A	41.1	Very low	57.8	Low	66 Å²	66	72.8 Å²	72.8	55%	0.545	40%	0.399	S	S	.	.			trans	-68.8	107.2	168.7	0	0	0	0	0	109.6	T351	T351-A355 WeakPolarHBondContact O-CA 3.42Å; T351-A355 WeakPolarHBondContact O-CB 3.47Å; T351-A355 PolarHBondContact O-N 3.45Å
356	G	47.6	Very low	58.2	Low	32 Å²	32	71.5 Å²	71.5	33%	0.33	39%	0.386	S	S	.	.	S	Bend	trans	-143.3	169.8	152.4	0	0	0	0	0	107.8	F354 E360	F354-G356 PolarHBondContact O-N 3.32Å; G356-E360 WeakPolarHBondContact CA-OE2 3.48Å
357	D	51.6	Low	58.7	Low	127 Å²	127	71.5 Å²	71.5	68%	0.679	39%	0.386	S	S	*	.			trans	-52	154.3	164.1	-83.5	-27.6	0	0	0	109.7	K359 E360 A361	D357-K359 CarbonylContact O-C 3.56Å; D357-K359 PolarHBondContact O-N 3.31Å; D357-E360 PolarHBondContact N-OE2 2.88Å; D357-E360 WeakPolarHBondContact O-CA 3.2Å; D357-E360 PolarHBondContact O-N 2.96Å; D357-A361 PolarHBondContact O-N 2.8Å
358	E	59.9	Low	59.8	Low	143 Å²	143	65.1 Å²	65.1	67%	0.668	36%	0.357	S	S	*	.	H	α-helix	trans	-49.4	-29.9	-177.7	-75.5	-170.4	152.5	0	0	113.5	A362 R409	E358-A362 VanDerWaalsContact O-CB 3.25Å; E358-A362 WeakPolarHBondContact O-CB 3.25Å; E358-A362 PolarHBondContact O-N 3.34Å; E358-A362 VanDerWaalsContact O-N 3.11Å; E358-R409 IonicContact OE1-CZ 3.56Å; E358-R409 IonicContact OE1-NH1 2.76Å; E358-R409 PolarHBondContact OE1-NH1 3.21Å
359	K	65.6	Low	61	Low	182 Å²	182	66.2 Å²	66.2	79%	0.791	36%	0.36	S	S	*	.	H	α-helix	trans	-72.9	-38.7	175.5	-67.3	-177	179.5	177.1	0	113.8	D357 Q363	D357-K359 CarbonylContact O-C 3.56Å; D357-K359 PolarHBondContact O-N 3.31Å; K359-Q363 WeakPolarHBondContact O-CB 3.37Å; K359-Q363 PolarHBondContact O-N 3.46Å
360	E	63.7	Low	62.5	Low	123 Å²	123	65.4 Å²	65.4	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-71.8	-42.8	178.6	-67.5	-179.6	155.9	0	0	110.6	G356 D357 A362 Q363 L364	G356-E360 WeakPolarHBondContact CA-OE2 3.48Å; D357-E360 PolarHBondContact N-OE2 2.88Å; D357-E360 WeakPolarHBondContact O-CA 3.2Å; D357-E360 PolarHBondContact O-N 2.96Å; E360-A362 VanDerWaalsContact C-N 3.32Å; E360-A362 PolarHBondContact O-N 3.44Å; E360-Q363 PolarHBondContact O-N 3.26Å; E360-L364 VanDerWaalsContact O-CB 3.32Å; E360-L364 WeakPolarHBondContact O-CB 3.34Å; E360-L364 PolarHBondContact O-N 3.43Å
361	A	62.6	Low	64	Low	28 Å²	28	62.8 Å²	62.8	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-61.8	-39.8	173.6	0	0	0	0	0	112	D357 K365	D357-A361 PolarHBondContact O-N 2.8Å; A361-K365 VanDerWaalsContact O-CB 3.3Å; A361-K365 WeakPolarHBondContact O-CB 3.49Å; A361-K365 PolarHBondContact O-N 2.78Å
362	A	68.5	Low	65.5	Low	56 Å²	56	58.7 Å²	58.7	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-66.5	-41.1	175	0	0	0	0	0	112.8	E358 E360 K365 E366	E358-A362 VanDerWaalsContact O-CB 3.25Å; E358-A362 WeakPolarHBondContact O-CB 3.25Å; E358-A362 PolarHBondContact O-N 3.34Å; E358-A362 VanDerWaalsContact O-N 3.11Å; E360-A362 VanDerWaalsContact C-N 3.32Å; E360-A362 PolarHBondContact O-N 3.44Å; A362-K365 WeakPolarHBondContact O-CB 3.39Å; A362-K365 PolarHBondContact O-N 2.85Å; A362-E366 PolarHBondContact O-N 3.06Å; A362-E366 VanDerWaalsContact O-N 3.11Å
363	Q	71.2	Confident	67	Low	92 Å²	92	56.9 Å²	56.9	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-44.2	175.4	-176.2	62.9	49.3	0	0	111.3	K359 E360 K365 E366 D367	K359-Q363 WeakPolarHBondContact O-CB 3.37Å; K359-Q363 PolarHBondContact O-N 3.46Å; E360-Q363 PolarHBondContact O-N 3.26Å; Q363-K365 VanDerWaalsContact C-N 3.32Å; Q363-K365 PolarHBondContact O-N 3.36Å; Q363-E366 PolarHBondContact O-N 3.45Å; Q363-D367 PolarHBondContact NE2-OD1 2.94Å; Q363-D367 WeakPolarHBondContact O-CB 3.32Å; Q363-D367 PolarHBondContact O-N 3.48Å
364	L	68.7	Low	68.6	Low	18 Å²	18	58.5 Å²	58.5	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-43.4	177.2	174.9	61.5	0	0	0	111.8	E233 F354 E360 E366 D367 I368 F406	E233-L364 HydrophobicContact CB-CD1 3.59Å; E233-L364 HydrophobicContact CB-CD2 4.21Å; E233-L364 HydrophobicContact CG-CD1 3.68Å; E233-L364 HydrophobicContact CG-CD2 3.46Å; E233-L364 VanDerWaalsContact CG-CD2 3.46Å; E233-L364 HydrophobicContact CG-CG 4.15Å; F354-L364 HydrophobicContact CD1-CD2 4.13Å; E360-L364 VanDerWaalsContact O-CB 3.32Å; E360-L364 WeakPolarHBondContact O-CB 3.34Å; E360-L364 PolarHBondContact O-N 3.43Å; L364-E366 VanDerWaalsContact C-N 3.31Å; L364-E366 PolarHBondContact O-N 3.37Å; L364-D367 PolarHBondContact O-N 3.1Å; L364-I368 HydrophobicContact CD1-CD1 3.76Å; L364-I368 HydrophobicContact CD1-CG1 4.1Å; L364-I368 HydrophobicContact CG-CD1 3.91Å; L364-I368 WeakPolarHBondContact O-CB 2.7Å; L364-I368 WeakPolarHBondContact O-CG1 3.22Å; L364-I368 PolarHBondContact O-N 3.05Å; L364-F406 HydrophobicContact CD2-CE1 4.42Å; L364-F406 HydrophobicContact CD2-CZ 4.39Å; L364-F406 HydrophobicContact CG-CZ 4.36Å
365	K	71.5	Confident	70.2	Confident	24 Å²	24	56.5 Å²	56.5	10%	0.104	30%	0.304	C	S	.	.	H	α-helix	trans	-55.6	-48.8	174.5	-176.7	-169.2	-178.7	-172	0	110.6	E152 F154 A361 A362 Q363 R369 F406	E152-K365 WeakPolarHBondContact OE2-CE 3.47Å; E152-K365 IonicContact OE2-NZ 2.65Å; E152-K365 PolarHBondContact OE2-NZ 3.35Å; F154-K365 HydrophobicContact CE1-CG 4.24Å; F154-K365 HydrophobicContact CE2-CG 4.5Å; F154-K365 HydrophobicContact CZ-CD 4.21Å; F154-K365 HydrophobicContact CZ-CG 3.59Å; A361-K365 VanDerWaalsContact O-CB 3.3Å; A361-K365 WeakPolarHBondContact O-CB 3.49Å; A361-K365 PolarHBondContact O-N 2.78Å; A362-K365 WeakPolarHBondContact O-CB 3.39Å; A362-K365 PolarHBondContact O-N 2.85Å; Q363-K365 VanDerWaalsContact C-N 3.32Å; Q363-K365 PolarHBondContact O-N 3.36Å; K365-R369 VanDerWaalsContact O-CB 3.26Å; K365-R369 WeakPolarHBondContact O-CB 3.35Å; K365-R369 PolarHBondContact O-N 2.92Å; K365-F406 HydrophobicContact CB-CD1 4.16Å; K365-F406 HydrophobicContact CB-CD2 4.38Å; K365-F406 HydrophobicContact CB-CE1 4.41Å; K365-F406 HydrophobicContact CB-CG 4.15Å; K365-F406 HydrophobicContact CD-CB 3.98Å; K365-F406 HydrophobicContact CD-CG 4.39Å; K365-F406 HydrophobicContact CG-CB 3.92Å; K365-F406 HydrophobicContact CG-CD1 4.32Å; K365-F406 HydrophobicContact CG-CD2 3.99Å; K365-F406 HydrophobicContact CG-CG 3.83Å
366	E	75.6	Confident	72.3	Confident	60 Å²	60	54 Å²	54	28%	0.28	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-40.8	179.9	-177.6	58.3	-162.1	0	0	112.6	A362 Q363 L364 R369 L370	A362-E366 PolarHBondContact O-N 3.06Å; A362-E366 VanDerWaalsContact O-N 3.11Å; Q363-E366 PolarHBondContact O-N 3.45Å; L364-E366 VanDerWaalsContact C-N 3.31Å; L364-E366 PolarHBondContact O-N 3.37Å; E366-R369 VanDerWaalsContact CD-NE 3.28Å; E366-R369 VanDerWaalsContact O-CB 3.26Å; E366-R369 WeakPolarHBondContact O-CB 3.46Å; E366-R369 PolarHBondContact O-N 3.45Å; E366-R369 IonicContact OE1-CZ 2.85Å; E366-R369 IonicContact OE1-NE 3.76Å; E366-R369 PolarHBondContact OE1-NE 3.27Å; E366-R369 IonicContact OE1-NH2 3.95Å; E366-R369 PolarHBondContact OE1-NH2 3.44Å; E366-R369 WeakPolarHBondContact OE2-CD 3.48Å; E366-R369 IonicContact OE2-CZ 2.89Å; E366-R369 IonicContact OE2-NE 3.37Å; E366-R369 PolarHBondContact OE2-NE 2.98Å; E366-R369 IonicContact OE2-NH2 3.37Å; E366-L370 HydrophobicContact CG-CD1 4.34Å; E366-L370 WeakPolarHBondContact O-CG 3.49Å; E366-L370 PolarHBondContact O-N 3.41Å
367	D	74.8	Confident	74.2	Confident	30 Å²	30	57.9 Å²	57.9	16%	0.16	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-48.1	177.8	-78.6	-8.5	0	0	0	111.2	F198 Q363 L364 R369 L370 A371	F198-D367 HydrophobicContact CD1-CB 3.5Å; F198-D367 HydrophobicContact CE1-CB 3.85Å; F198-D367 WeakPolarHBondContact CE1-O 3.4Å; F198-D367 HydrophobicContact CG-CB 4.31Å; Q363-D367 PolarHBondContact NE2-OD1 2.94Å; Q363-D367 WeakPolarHBondContact O-CB 3.32Å; Q363-D367 PolarHBondContact O-N 3.48Å; L364-D367 PolarHBondContact O-N 3.1Å; D367-R369 VanDerWaalsContact C-N 3.33Å; D367-R369 PolarHBondContact O-N 2.85Å; D367-L370 PolarHBondContact O-N 3.26Å; D367-A371 PolarHBondContact O-N 2.99Å
368	I	73.8	Confident	76	Confident	12 Å²	12	52 Å²	52	6%	0.062	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-44.8	173.6	-73.6	171	0	0	0	110.3	F198 L364 L370 A371 F372 L402 F406	F198-I368 HydrophobicContact CZ-CG1 4.18Å; L364-I368 HydrophobicContact CD1-CD1 3.76Å; L364-I368 HydrophobicContact CD1-CG1 4.1Å; L364-I368 HydrophobicContact CG-CD1 3.91Å; L364-I368 WeakPolarHBondContact O-CB 2.7Å; L364-I368 WeakPolarHBondContact O-CG1 3.22Å; L364-I368 PolarHBondContact O-N 3.05Å; I368-L370 VanDerWaalsContact C-N 3.31Å; I368-L370 PolarHBondContact O-N 2.94Å; I368-A371 PolarHBondContact O-N 3.47Å; I368-F372 HydrophobicContact CG2-CD2 3.78Å; I368-F372 HydrophobicContact CG2-CE2 3.9Å; I368-F372 WeakPolarHBondContact O-CD2 3.47Å; I368-F372 PolarHBondContact O-N 3.18Å; I368-L402 HydrophobicContact CG2-CB 4.5Å; I368-L402 HydrophobicContact CG2-CD1 3.64Å; I368-F406 HydrophobicContact CD1-CE2 3.81Å; I368-F406 HydrophobicContact CD1-CZ 3.65Å; I368-F406 HydrophobicContact CG2-CE2 4.43Å
369	R	77.5	Confident	77.4	Confident	42 Å²	42	45.7 Å²	45.7	16%	0.158	23%	0.226	C	C	.	.	H	α-helix	trans	-53.5	-48.7	177	-162.4	-167.3	70.6	78	2.1	111	R153 F154 K365 E366 D367 F372 L373	R153-R369 WeakPolarHBondContact O-CD 3.39Å; R153-R369 WeakPolarHBondContact O-CG 3.37Å; R153-R369 PolarHBondContact O-NH1 3.31Å; F154-R369 HydrophobicContact CB-CG 4.23Å; F154-R369 HydrophobicContact CD1-CB 4.04Å; F154-R369 HydrophobicContact CD1-CG 3.98Å; F154-R369 HydrophobicContact CD2-CG 4.14Å; F154-R369 HydrophobicContact CE1-CB 4.21Å; F154-R369 HydrophobicContact CE1-CG 4.42Å; F154-R369 HydrophobicContact CG-CB 4.42Å; F154-R369 HydrophobicContact CG-CG 3.85Å; K365-R369 VanDerWaalsContact O-CB 3.26Å; K365-R369 WeakPolarHBondContact O-CB 3.35Å; K365-R369 PolarHBondContact O-N 2.92Å; E366-R369 VanDerWaalsContact CD-NE 3.28Å; E366-R369 VanDerWaalsContact O-CB 3.26Å; E366-R369 WeakPolarHBondContact O-CB 3.46Å; E366-R369 PolarHBondContact O-N 3.45Å; E366-R369 IonicContact OE1-CZ 2.85Å; E366-R369 IonicContact OE1-NE 3.76Å; E366-R369 PolarHBondContact OE1-NE 3.27Å; E366-R369 IonicContact OE1-NH2 3.95Å; E366-R369 PolarHBondContact OE1-NH2 3.44Å; E366-R369 WeakPolarHBondContact OE2-CD 3.48Å; E366-R369 IonicContact OE2-CZ 2.89Å; E366-R369 IonicContact OE2-NE 3.37Å; E366-R369 PolarHBondContact OE2-NE 2.98Å; E366-R369 IonicContact OE2-NH2 3.37Å; D367-R369 VanDerWaalsContact C-N 3.33Å; D367-R369 PolarHBondContact O-N 2.85Å; R369-F372 PolarHBondContact O-N 3.11Å; R369-L373 VanDerWaalsContact O-CG 3.31Å; R369-L373 WeakPolarHBondContact O-CG 3.38Å; R369-L373 PolarHBondContact O-N 3.3Å; R369-L373 VanDerWaalsContact O-N 3.07Å
370	L	80	Confident	78.5	Confident	74 Å²	74	37.7 Å²	37.7	39%	0.387	19%	0.192	S	C	.	.	H	α-helix	trans	-65.3	-41.1	178.6	-70.3	170.9	0	0	0	112.4	E366 D367 I368 F372 L373 N374	E366-L370 HydrophobicContact CG-CD1 4.34Å; E366-L370 WeakPolarHBondContact O-CG 3.49Å; E366-L370 PolarHBondContact O-N 3.41Å; D367-L370 PolarHBondContact O-N 3.26Å; I368-L370 VanDerWaalsContact C-N 3.31Å; I368-L370 PolarHBondContact O-N 2.94Å; L370-F372 PolarHBondContact O-N 2.98Å; L370-L373 HydrophobicContact CD2-CD1 4.23Å; L370-L373 WeakPolarHBondContact O-CB 3.44Å; L370-L373 PolarHBondContact O-N 2.91Å; L370-N374 PolarHBondContact O-N 2.83Å
371	A	82.6	Confident	79.7	Confident	4 Å²	4	32 Å²	32	3%	0.033	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-44.4	176.4	0	0	0	0	0	111.8	E195 F198 F237 D367 I368 L373 N374 I375	E195-A371 HydrophobicContact CB-CB 4.42Å; F198-A371 HydrophobicContact CE1-CB 4.01Å; F198-A371 HydrophobicContact CZ-CB 4.2Å; F237-A371 HydrophobicContact CE2-CB 3.77Å; F237-A371 HydrophobicContact CZ-CB 3.89Å; D367-A371 PolarHBondContact O-N 2.99Å; I368-A371 PolarHBondContact O-N 3.47Å; A371-L373 PolarHBondContact O-N 2.85Å; A371-N374 PolarHBondContact O-N 3.24Å; A371-I375 VanDerWaalsContact O-CG1 3.26Å; A371-I375 WeakPolarHBondContact O-CG1 3.34Å; A371-I375 PolarHBondContact O-N 2.86Å
372	F	83.4	Confident	80.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.7	-32.4	177.4	-84	-87.1	0	0	0	113.2	F237 I368 R369 L370 S376 T395 L398 L402	F237-F372 HydrophobicContact CD2-CE2 4.15Å; F237-F372 HydrophobicContact CE2-CD2 4.24Å; F237-F372 AromaticContact CE2-CE2 3.75Å; F237-F372 HydrophobicContact CE2-CE2 3.75Å; F237-F372 HydrophobicContact CE2-CZ 4.35Å; I368-F372 HydrophobicContact CG2-CD2 3.78Å; I368-F372 HydrophobicContact CG2-CE2 3.9Å; I368-F372 WeakPolarHBondContact O-CD2 3.47Å; I368-F372 PolarHBondContact O-N 3.18Å; R369-F372 PolarHBondContact O-N 3.11Å; L370-F372 PolarHBondContact O-N 2.98Å; F372-S376 WeakPolarHBondContact O-CB 3.36Å; F372-S376 PolarHBondContact O-N 3.36Å; F372-T395 WeakPolarHBondContact CD1-O 3.3Å; F372-L398 HydrophobicContact CE1-CB 4Å; F372-L398 HydrophobicContact CE1-CD2 3.71Å; F372-L398 HydrophobicContact CE1-CG 3.66Å; F372-L398 HydrophobicContact CZ-CB 4.45Å; F372-L398 HydrophobicContact CZ-CD2 3.63Å; F372-L398 HydrophobicContact CZ-CG 3.61Å; F372-L402 HydrophobicContact CD2-CD1 4.12Å; F372-L402 HydrophobicContact CE2-CD1 3.32Å; F372-L402 HydrophobicContact CZ-CD1 3.7Å
373	L	82.1	Confident	81.6	Confident	25 Å²	25	28.4 Å²	28.4	13%	0.131	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-44.6	169.9	-72.3	171.2	0	0	0	111.8	V156 R369 L370 A371 S376 R377	V156-L373 HydrophobicContact CB-CD2 4.24Å; V156-L373 HydrophobicContact CG2-CB 4.28Å; V156-L373 HydrophobicContact CG2-CD2 3.39Å; V156-L373 HydrophobicContact CG2-CG 4.45Å; V156-L373 VanDerWaalsContact N-CD2 3.35Å; R369-L373 VanDerWaalsContact O-CG 3.31Å; R369-L373 WeakPolarHBondContact O-CG 3.38Å; R369-L373 PolarHBondContact O-N 3.3Å; R369-L373 VanDerWaalsContact O-N 3.07Å; L370-L373 HydrophobicContact CD2-CD1 4.23Å; L370-L373 WeakPolarHBondContact O-CB 3.44Å; L370-L373 PolarHBondContact O-N 2.91Å; A371-L373 PolarHBondContact O-N 2.85Å; L373-S376 WeakPolarHBondContact O-CB 3.45Å; L373-S376 PolarHBondContact O-N 3.31Å; L373-R377 PolarHBondContact O-N 3.02Å
374	N	85.1	Confident	82.3	Confident	48 Å²	48	24 Å²	24	26%	0.257	12%	0.116	S	C	.	.	H	α-helix	trans	-67.2	-44.7	177.7	-71.3	-17.4	0	0	0	111.4	E195 L370 A371 S376 R377 I378	E195-N374 VanDerWaalsContact CD-CB 3.5Å; E195-N374 HydrophobicContact CG-CB 4.21Å; E195-N374 WeakPolarHBondContact OE2-CB 3.48Å; E195-N374 PolarHBondContact OE2-ND2 3.17Å; L370-N374 PolarHBondContact O-N 2.83Å; A371-N374 PolarHBondContact O-N 3.24Å; N374-S376 VanDerWaalsContact C-N 3.25Å; N374-S376 PolarHBondContact O-N 3.37Å; N374-R377 CarbonylContact O-C 3.54Å; N374-R377 WeakPolarHBondContact O-CA 3.49Å; N374-R377 WeakPolarHBondContact O-CB 3.43Å; N374-R377 PolarHBondContact O-N 2.93Å; N374-I378 WeakPolarHBondContact O-CG1 3.32Å; N374-I378 PolarHBondContact O-N 2.89Å
375	I	88.1	Confident	83.1	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.9	-43.1	174.5	-69.8	168.9	0	0	0	110.9	I192 E195 F237 I241 A371 R377 I378 M379 T395	I192-I375 HydrophobicContact CG1-CG2 4.4Å; I192-I375 HydrophobicContact CG2-CD1 4Å; I192-I375 HydrophobicContact CG2-CG1 4.07Å; E195-I375 HydrophobicContact CB-CG1 4.45Å; E195-I375 HydrophobicContact CG-CG1 4.18Å; F237-I375 HydrophobicContact CE2-CD1 4.24Å; F237-I375 HydrophobicContact CZ-CD1 3.64Å; I241-I375 HydrophobicContact CD1-CD1 3.86Å; A371-I375 VanDerWaalsContact O-CG1 3.26Å; A371-I375 WeakPolarHBondContact O-CG1 3.34Å; A371-I375 PolarHBondContact O-N 2.86Å; I375-R377 PolarHBondContact O-N 3.11Å; I375-I378 WeakPolarHBondContact O-CB 3.37Å; I375-I378 PolarHBondContact O-N 2.79Å; I375-I378 VanDerWaalsContact O-N 3.11Å; I375-M379 HydrophobicContact CG2-CE 3.99Å; I375-M379 WeakPolarHBondContact O-CG 3.31Å; I375-M379 PolarHBondContact O-N 2.98Å; I375-T395 HydrophobicContact CG2-CG2 3.51Å
376	S	85.7	Confident	83.9	Confident	13 Å²	13	25.5 Å²	25.5	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-59.3	-34.9	176.4	-175.2	0	0	0	0	112.7	F372 L373 N374	F372-S376 WeakPolarHBondContact O-CB 3.36Å; F372-S376 PolarHBondContact O-N 3.36Å; L373-S376 WeakPolarHBondContact O-CB 3.45Å; L373-S376 PolarHBondContact O-N 3.31Å; N374-S376 VanDerWaalsContact C-N 3.25Å; N374-S376 PolarHBondContact O-N 3.37Å
377	R	86.6	Confident	84.6	Confident	115 Å²	115	24.4 Å²	24.4	43%	0.434	12%	0.12	S	C	.	.	H	α-helix	trans	-74.9	-34.8	174.7	-67.9	173.2	175	171.7	-2.4	112.2	P73 F74 L373 N374 I375 M379 D380	P73-R377 HydrophobicContact CG-CB 4.19Å; F74-R377 HydrophobicContact CE2-CB 3.89Å; F74-R377 HydrophobicContact CZ-CB 4.01Å; L373-R377 PolarHBondContact O-N 3.02Å; N374-R377 CarbonylContact O-C 3.54Å; N374-R377 WeakPolarHBondContact O-CA 3.49Å; N374-R377 WeakPolarHBondContact O-CB 3.43Å; N374-R377 PolarHBondContact O-N 2.93Å; I375-R377 PolarHBondContact O-N 3.11Å; R377-M379 PolarHBondContact O-N 2.03Å; R377-D380 WeakPolarHBondContact O-CB 3.26Å; R377-D380 PolarHBondContact O-N 3.18Å; R377-D380 VanDerWaalsContact O-N 3.12Å
378	I	89.6	Confident	85.3	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-33.2	174.6	-63.8	167.3	0	0	0	110	F74 I188 I192 E195 N374 I375 D380 C381	F74-I378 HydrophobicContact CD2-CG1 4.25Å; F74-I378 HydrophobicContact CE2-CB 4.4Å; F74-I378 HydrophobicContact CE2-CG1 3.63Å; F74-I378 HydrophobicContact CZ-CG1 4.33Å; I188-I378 HydrophobicContact CD1-CG2 4.07Å; I188-I378 HydrophobicContact CG2-CG2 4.18Å; I192-I378 HydrophobicContact CG1-CD1 4.3Å; I192-I378 HydrophobicContact CG1-CG2 3.99Å; E195-I378 HydrophobicContact CG-CD1 3.98Å; N374-I378 WeakPolarHBondContact O-CG1 3.32Å; N374-I378 PolarHBondContact O-N 2.89Å; I375-I378 WeakPolarHBondContact O-CB 3.37Å; I375-I378 PolarHBondContact O-N 2.79Å; I375-I378 VanDerWaalsContact O-N 3.11Å; I378-D380 PolarHBondContact O-N 2.96Å; I378-C381 WeakPolarHBondContact O-CA 3.37Å; I378-C381 VanDerWaalsContact O-CB 3.24Å; I378-C381 WeakPolarHBondContact O-CB 3.41Å; I378-C381 PolarHBondContact O-N 2.99Å
379	M	89.9	Confident	86.1	Confident	12 Å²	12	22.9 Å²	22.9	6%	0.059	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.8	175.4	-65.4	-56.3	168.3	0	0	113.1	I192 I375 R377 C381 V382 R388 K392 T395	I192-M379 HydrophobicContact CD1-CE 3.56Å; I375-M379 HydrophobicContact CG2-CE 3.99Å; I375-M379 WeakPolarHBondContact O-CG 3.31Å; I375-M379 PolarHBondContact O-N 2.98Å; R377-M379 PolarHBondContact O-N 2.03Å; M379-C381 PolarHBondContact O-N 3.39Å; M379-V382 WeakPolarHBondContact O-CB 3.46Å; M379-V382 WeakPolarHBondContact O-CG2 3.48Å; M379-V382 PolarHBondContact O-N 3.27Å; M379-V382 VanDerWaalsContact O-N 3.11Å; M379-V382 HydrophobicContact SD-CG2 4.07Å; M379-R388 WeakPolarHBondContact O-CG 3.01Å; M379-K392 HydrophobicContact CB-CG 3.86Å; M379-K392 HydrophobicContact CG-CG 4.43Å; M379-T395 HydrophobicContact CE-CG2 3.61Å
380	D	88.2	Confident	86.9	Confident	13 Å²	13	21 Å²	21	7%	0.07	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-67.8	-11.2	173.9	-62.3	-38.9	0	0	0	113	K70 R377 I378 R388 K392	K70-D380 HydrophobicContact CB-CB 4.28Å; R377-D380 WeakPolarHBondContact O-CB 3.26Å; R377-D380 PolarHBondContact O-N 3.18Å; R377-D380 VanDerWaalsContact O-N 3.12Å; I378-D380 PolarHBondContact O-N 2.96Å; D380-R388 PolarHBondContact O-NH1 2.9Å; D380-R388 PolarHBondContact O-NH2 3.28Å; D380-K392 WeakPolarHBondContact OD1-CE 3.48Å; D380-K392 IonicContact OD1-NZ 3.62Å; D380-K392 PolarHBondContact OD1-NZ 3.32Å; D380-K392 IonicContact OD2-NZ 3.84Å
381	C	88.3	Confident	87.5	Confident	4 Å²	4	17.8 Å²	17.8	3%	0.027	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-93	-4.7	174.9	-54.2	0	0	0	0	113.8	C72 W75 I188 I378 M379 G383	C72-C381 VanDerWaalsContact CA-SG 3.59Å; C72-C381 HydrophobicContact CB-CB 3.75Å; C72-C381 WeakPolarHBondContact CB-SG 3.32Å; C72-C381 WeakPolarHBondContact SG-CB 3.4Å; C72-C381 CovalentContact SG-SG 2.03Å; C72-C381 PolarHBondContact SG-SG 3.45Å; W75-C381 HydrophobicContact CH2-CB 4.16Å; W75-C381 HydrophobicContact CZ2-CB 3.47Å; W75-C381 VanDerWaalsContact CZ2-CB 3.47Å; I188-C381 HydrophobicContact CD1-CB 3.65Å; I378-C381 WeakPolarHBondContact O-CA 3.37Å; I378-C381 VanDerWaalsContact O-CB 3.24Å; I378-C381 WeakPolarHBondContact O-CB 3.41Å; I378-C381 PolarHBondContact O-N 2.99Å; M379-C381 PolarHBondContact O-N 3.39Å; C381-G383 PolarHBondContact O-N 3.45Å
382	V	88.6	Confident	88	Confident	4 Å²	4	17.8 Å²	17.8	2%	0.024	9%	0.088	C	C	.	.			trans	-75.8	115.1	179.6	178.2	0	0	0	0	109.9	Y180 I188 M379 C384 C387 R388	Y180-V382 HydrophobicContact CE1-CG1 4.08Å; I188-V382 HydrophobicContact CD1-CG2 3.93Å; I188-V382 HydrophobicContact CG1-CG2 4.16Å; I188-V382 HydrophobicContact CG2-CG2 3.95Å; M379-V382 WeakPolarHBondContact O-CB 3.46Å; M379-V382 WeakPolarHBondContact O-CG2 3.48Å; M379-V382 PolarHBondContact O-N 3.27Å; M379-V382 VanDerWaalsContact O-N 3.11Å; M379-V382 HydrophobicContact SD-CG2 4.07Å; V382-C384 VanDerWaalsContact C-N 3.3Å; V382-C384 HydrophobicContact CG1-CB 4.46Å; V382-C384 PolarHBondContact O-N 2.75Å; V382-C387 HydrophobicContact CG1-CB 3.83Å; V382-R388 HydrophobicContact CB-CB 4.16Å; V382-R388 HydrophobicContact CG1-CB 4.31Å; V382-R388 VanDerWaalsContact O-CZ 3.29Å; V382-R388 PolarHBondContact O-NE 2.77Å; V382-R388 PolarHBondContact O-NH2 2.98Å
383	G	82.4	Confident	88.4	Confident	5 Å²	5	17.8 Å²	17.8	5%	0.052	9%	0.088	C	C	.	.	S	Bend	trans	-69.7	-21.2	-177.9	0	0	0	0	0	115	C381	C381-G383 PolarHBondContact O-N 3.45Å
384	C	86.1	Confident	89.1	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-89.7	112.4	175.8	-175.2	0	0	0	0	111.2	C86 Y180 V382 K386 C387 R388	C86-C384 VanDerWaalsContact CA-SG 3.56Å; C86-C384 HydrophobicContact CB-CB 3.94Å; C86-C384 WeakPolarHBondContact CB-SG 3.34Å; C86-C384 WeakPolarHBondContact SG-CB 3.11Å; C86-C384 CovalentContact SG-SG 2.04Å; C86-C384 PolarHBondContact SG-SG 3.48Å; Y180-C384 HydrophobicContact CD1-CB 4.27Å; Y180-C384 HydrophobicContact CD2-CB 3.93Å; Y180-C384 HydrophobicContact CG-CB 3.78Å; V382-C384 VanDerWaalsContact C-N 3.3Å; V382-C384 HydrophobicContact CG1-CB 4.46Å; V382-C384 PolarHBondContact O-N 2.75Å; C384-K386 PolarHBondContact O-N 3.07Å; C384-C387 HydrophobicContact CB-CB 3.89Å; C384-C387 PolarHBondContact O-N 3.48Å; C384-C387 VanDerWaalsContact O-N 3.14Å; C384-C387 PolarHBondContact SG-SG 2.9Å; C384-R388 PolarHBondContact O-N 3.17Å
385	F	86	Confident	89.4	Confident	55 Å²	55	14.6 Å²	14.6	24%	0.241	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-40.3	-174	-64.7	-67	0	0	0	114	L68 C86 V88 C387 R388 V389	L68-F385 HydrophobicContact CB-CD1 4.02Å; L68-F385 HydrophobicContact CB-CE1 4.35Å; L68-F385 HydrophobicContact CD1-CB 4.49Å; C86-F385 WeakPolarHBondContact O-CB 3.5Å; C86-F385 PolarHBondContact O-N 3.25Å; V88-F385 HydrophobicContact CB-CB 4.3Å; V88-F385 VanDerWaalsContact CG2-C 3.5Å; V88-F385 HydrophobicContact CG2-CB 3.59Å; F385-C387 PolarHBondContact O-N 2.81Å; F385-R388 WeakPolarHBondContact O-CB 3.24Å; F385-R388 PolarHBondContact O-N 2.75Å; F385-V389 WeakPolarHBondContact O-CG2 3.49Å; F385-V389 PolarHBondContact O-N 3.45Å
386	K	87	Confident	89.6	Confident	17 Å²	17	15.6 Å²	15.6	7%	0.074	8%	0.076	C	C	.	.	H	α-helix	trans	-62.7	-42.6	174.5	-73.4	-171.8	-166.8	159.7	0	112.6	D85 C86 A87 V88 T178 C384 R388 V389 W390	D85-K386 VanDerWaalsContact O-CD 3.3Å; D85-K386 WeakPolarHBondContact O-CD 3.49Å; D85-K386 VanDerWaalsContact O-CE 3.3Å; D85-K386 WeakPolarHBondContact O-CE 3.37Å; D85-K386 PolarHBondContact O-NZ 3.09Å; C86-K386 PolarHBondContact O-N 3.2Å; C86-K386 VanDerWaalsContact O-N 3.07Å; A87-K386 WeakPolarHBondContact O-CE 3.38Å; V88-K386 HydrophobicContact CG2-CB 4.44Å; V88-K386 HydrophobicContact CG2-CG 3.79Å; T178-K386 HydrophobicContact CG2-CB 4.32Å; C384-K386 PolarHBondContact O-N 3.07Å; K386-R388 VanDerWaalsContact C-N 3.28Å; K386-R388 PolarHBondContact O-N 3.27Å; K386-V389 PolarHBondContact O-N 3.34Å; K386-W390 PolarHBondContact O-N 2.98Å
387	C	90.1	Very high	90	Very high	38 Å²	38	15 Å²	15	26%	0.257	7%	0.072	S	C	.	.	H	α-helix	trans	-64.1	-36.6	175.5	-60.4	0	0	0	0	111.1	T178 V382 C384 F385 G391	T178-C387 PolarHBondContact OG1-SG 2.95Å; V382-C387 HydrophobicContact CG1-CB 3.83Å; C384-C387 HydrophobicContact CB-CB 3.89Å; C384-C387 PolarHBondContact O-N 3.48Å; C384-C387 VanDerWaalsContact O-N 3.14Å; C384-C387 PolarHBondContact SG-SG 2.9Å; F385-C387 PolarHBondContact O-N 2.81Å; C387-G391 WeakPolarHBondContact O-CA 3.18Å; C387-G391 PolarHBondContact O-N 3.36Å
388	R	90.7	Very high	90.3	Very high	9 Å²	9	9.5 Å²	9.5	3%	0.034	5%	0.051	C	C	.	.	H	α-helix	trans	-62.9	-45.5	173.9	-177.2	-178.3	-59.8	-154.3	-5.8	111.9	L68 K70 M379 D380 V382 C384 F385 K386 K392	L68-R388 HydrophobicContact CD2-CB 4.5Å; L68-R388 HydrophobicContact CD2-CG 4.14Å; L68-R388 PolarHBondContact O-NH1 2.98Å; K70-R388 PolarHBondContact O-NH1 3.49Å; K70-R388 VanDerWaalsContact O-NH1 3.12Å; M379-R388 WeakPolarHBondContact O-CG 3.01Å; D380-R388 PolarHBondContact O-NH1 2.9Å; D380-R388 PolarHBondContact O-NH2 3.28Å; V382-R388 HydrophobicContact CB-CB 4.16Å; V382-R388 HydrophobicContact CG1-CB 4.31Å; V382-R388 VanDerWaalsContact O-CZ 3.29Å; V382-R388 PolarHBondContact O-NE 2.77Å; V382-R388 PolarHBondContact O-NH2 2.98Å; C384-R388 PolarHBondContact O-N 3.17Å; F385-R388 WeakPolarHBondContact O-CB 3.24Å; F385-R388 PolarHBondContact O-N 2.75Å; K386-R388 VanDerWaalsContact C-N 3.28Å; K386-R388 PolarHBondContact O-N 3.27Å; R388-K392 WeakPolarHBondContact O-CG 3.09Å; R388-K392 PolarHBondContact O-N 2.74Å
389	V	90.4	Very high	90.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.4	-57.4	176.3	173.2	0	0	0	0	110.2	V66 L68 V88 L170 F385 K386 G391 K392 V393	V66-V389 HydrophobicContact CG1-CG2 4.3Å; L68-V389 HydrophobicContact CD1-CG2 4.09Å; L68-V389 HydrophobicContact CD2-CG2 3.69Å; L68-V389 HydrophobicContact CG-CG2 4.47Å; V88-V389 HydrophobicContact CG1-CG2 4.43Å; V88-V389 HydrophobicContact CG2-CG2 3.84Å; L170-V389 HydrophobicContact CD2-CG1 3.98Å; F385-V389 WeakPolarHBondContact O-CG2 3.49Å; F385-V389 PolarHBondContact O-N 3.45Å; K386-V389 PolarHBondContact O-N 3.34Å; V389-G391 VanDerWaalsContact C-N 3.33Å; V389-G391 PolarHBondContact O-N 3.2Å; V389-K392 PolarHBondContact O-N 2.66Å; V389-V393 HydrophobicContact CG1-CG2 4.36Å; V389-V393 VanDerWaalsContact O-CG2 3.28Å; V389-V393 WeakPolarHBondContact O-CG2 3.46Å; V389-V393 PolarHBondContact O-N 2.71Å
390	W	94.3	Very high	90.4	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.011	5%	0.048	C	C	.	.	H	α-helix	trans	-65.9	-36.1	-177.9	-74.8	105.5	0	0	0	112.6	L170 N173 E175 K386 V393 Q394 R440	L170-W390 HydrophobicContact CB-CH2 4.11Å; L170-W390 HydrophobicContact CB-CZ2 4.19Å; L170-W390 HydrophobicContact CD1-CH2 4.29Å; L170-W390 HydrophobicContact CD2-CH2 4.22Å; L170-W390 HydrophobicContact CD2-CZ2 4.19Å; L170-W390 HydrophobicContact CG-CH2 4.45Å; N173-W390 PolarHBondContact O-NE1 3.41Å; E175-W390 HydrophobicContact CB-CD2 3.84Å; E175-W390 HydrophobicContact CB-CG 3.85Å; E175-W390 HydrophobicContact CB-CZ2 4.49Å; E175-W390 HydrophobicContact CG-CG 4.18Å; E175-W390 VanDerWaalsContact N-NE1 3.14Å; K386-W390 PolarHBondContact O-N 2.98Å; W390-V393 HydrophobicContact CE3-CB 4.42Å; W390-V393 HydrophobicContact CE3-CG1 4.3Å; W390-V393 HydrophobicContact CZ3-CG1 4.27Å; W390-V393 PolarHBondContact O-N 3.44Å; W390-Q394 WeakPolarHBondContact O-CB 3.28Å; W390-Q394 WeakPolarHBondContact O-CG 3.38Å; W390-Q394 PolarHBondContact O-N 2.95Å; W390-Q394 PolarHBondContact O-OE1 2.96Å; W390-R440 HydrophobicContact CE3-CG 3.88Å; W390-R440 HydrophobicContact CZ3-CG 3.72Å
391	G	93.3	Very high	90.5	Very high	6 Å²	6	8.3 Å²	8.3	6%	0.062	5%	0.045	C	C	.	.	H	α-helix	trans	-56.9	-49.9	172.4	0	0	0	0	0	111.8	C387 V389 T395	C387-G391 WeakPolarHBondContact O-CA 3.18Å; C387-G391 PolarHBondContact O-N 3.36Å; V389-G391 VanDerWaalsContact C-N 3.33Å; V389-G391 PolarHBondContact O-N 3.2Å; G391-T395 WeakPolarHBondContact O-CB 3.32Å; G391-T395 VanDerWaalsContact O-CG2 3.23Å; G391-T395 WeakPolarHBondContact O-CG2 3.49Å; G391-T395 PolarHBondContact O-N 3.16Å; G391-T395 PolarHBondContact O-OG1 2.92Å
392	K	91.7	Very high	90.3	Very high	5 Å²	5	8.3 Å²	8.3	2%	0.022	5%	0.045	C	C	.	.	H	α-helix	trans	-64	-43.9	175.4	-75.6	178.9	177.8	-97.8	0	112.6	V66 D159 M379 D380 R388 V389 T395 Q396	V66-K392 HydrophobicContact CG2-CD 3.64Å; D159-K392 IonicContact OD1-NZ 3.4Å; D159-K392 WeakPolarHBondContact OD2-CD 3.49Å; D159-K392 WeakPolarHBondContact OD2-CE 3.47Å; D159-K392 IonicContact OD2-NZ 2.59Å; D159-K392 PolarHBondContact OD2-NZ 3.44Å; M379-K392 HydrophobicContact CB-CG 3.86Å; M379-K392 HydrophobicContact CG-CG 4.43Å; D380-K392 WeakPolarHBondContact OD1-CE 3.48Å; D380-K392 IonicContact OD1-NZ 3.62Å; D380-K392 PolarHBondContact OD1-NZ 3.32Å; D380-K392 IonicContact OD2-NZ 3.84Å; R388-K392 WeakPolarHBondContact O-CG 3.09Å; R388-K392 PolarHBondContact O-N 2.74Å; V389-K392 PolarHBondContact O-N 2.66Å; K392-T395 PolarHBondContact O-OG1 3.49Å; K392-Q396 WeakPolarHBondContact O-CB 3.36Å; K392-Q396 PolarHBondContact O-N 3.37Å
393	V	93.3	Very high	90.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.3	-50.5	178.4	170.7	0	0	0	0	110.7	Y64 L170 V389 W390 G397 S433 N436	Y64-V393 HydrophobicContact CD1-CG2 3.61Å; Y64-V393 HydrophobicContact CD2-CG2 3.78Å; Y64-V393 HydrophobicContact CE1-CG2 3.52Å; Y64-V393 HydrophobicContact CE2-CB 4.42Å; Y64-V393 HydrophobicContact CE2-CG2 3.67Å; Y64-V393 HydrophobicContact CG-CG2 3.73Å; L170-V393 HydrophobicContact CD2-CG2 4.38Å; V389-V393 HydrophobicContact CG1-CG2 4.36Å; V389-V393 VanDerWaalsContact O-CG2 3.28Å; V389-V393 WeakPolarHBondContact O-CG2 3.46Å; V389-V393 PolarHBondContact O-N 2.71Å; W390-V393 HydrophobicContact CE3-CB 4.42Å; W390-V393 HydrophobicContact CE3-CG1 4.3Å; W390-V393 HydrophobicContact CZ3-CG1 4.27Å; W390-V393 PolarHBondContact O-N 3.44Å; V393-G397 PolarHBondContact O-N 2.99Å; V393-S433 WeakPolarHBondContact O-CB 3.35Å; V393-N436 HydrophobicContact CG1-CB 3.71Å
394	Q	95.6	Very high	90.2	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.009	5%	0.045	C	C	.	.	H	α-helix	trans	-72	-39.9	-175.3	-70.5	167.5	-39.4	0	0	112.2	E175 L244 W390 G397 L398 R440	E175-Q394 PolarHBondContact OE1-NE2 3.29Å; E175-Q394 PolarHBondContact OE1-OE1 3.32Å; E175-Q394 PolarHBondContact OE2-NE2 3.13Å; L244-Q394 HydrophobicContact CD1-CB 3.58Å; L244-Q394 HydrophobicContact CD1-CG 4Å; L244-Q394 HydrophobicContact CD2-CB 4.35Å; W390-Q394 WeakPolarHBondContact O-CB 3.28Å; W390-Q394 WeakPolarHBondContact O-CG 3.38Å; W390-Q394 PolarHBondContact O-N 2.95Å; W390-Q394 PolarHBondContact O-OE1 2.96Å; Q394-G397 PolarHBondContact O-N 2.96Å; Q394-L398 VanDerWaalsContact O-CB 3.3Å; Q394-L398 WeakPolarHBondContact O-CB 3.49Å; Q394-L398 PolarHBondContact O-N 3Å; Q394-R440 HydrophobicContact CG-CG 4.41Å
395	T	92.5	Very high	89.9	Confident	3 Å²	3	9.9 Å²	9.9	2%	0.018	5%	0.051	C	C	.	.	H	α-helix	trans	-71.1	-37.4	177.7	59.6	0	0	0	0	112.1	L244 F372 I375 M379 G391 K392 G399	L244-T395 HydrophobicContact CD2-CG2 4.08Å; F372-T395 WeakPolarHBondContact CD1-O 3.3Å; I375-T395 HydrophobicContact CG2-CG2 3.51Å; M379-T395 HydrophobicContact CE-CG2 3.61Å; G391-T395 WeakPolarHBondContact O-CB 3.32Å; G391-T395 VanDerWaalsContact O-CG2 3.23Å; G391-T395 WeakPolarHBondContact O-CG2 3.49Å; G391-T395 PolarHBondContact O-N 3.16Å; G391-T395 PolarHBondContact O-OG1 2.92Å; K392-T395 PolarHBondContact O-OG1 3.49Å; T395-G399 PolarHBondContact O-N 3.1Å
396	Q	91.5	Very high	89.4	Confident	21 Å²	21	9.1 Å²	9.1	10%	0.098	5%	0.047	C	C	.	.	H	α-helix	trans	-65.3	-44.6	172.8	-171.2	177.7	5.7	0	0	110.8	Y64 C155 K392 L398 G399 T400	Y64-Q396 PolarHBondContact OH-OE1 3.13Å; C155-Q396 HydrophobicContact CB-CG 4.12Å; K392-Q396 WeakPolarHBondContact O-CB 3.36Å; K392-Q396 PolarHBondContact O-N 3.37Å; Q396-L398 PolarHBondContact O-N 3.08Å; Q396-G399 PolarHBondContact O-N 3.48Å; Q396-T400 WeakPolarHBondContact O-CB 3.47Å; Q396-T400 PolarHBondContact O-N 3.1Å; Q396-T400 PolarHBondContact O-OG1 3.49Å
397	G	94.3	Very high	88.9	Confident	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.5	-43.5	178.3	0	0	0	0	0	112.8	V393 Q394 T400 A401 S433	V393-G397 PolarHBondContact O-N 2.99Å; Q394-G397 PolarHBondContact O-N 2.96Å; G397-T400 WeakPolarHBondContact O-CB 3.42Å; G397-T400 PolarHBondContact O-N 3.27Å; G397-A401 PolarHBondContact O-N 3.47Å; G397-S433 PolarHBondContact N-OG 2.89Å
398	L	93.4	Very high	88	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-64.8	-42.3	174.3	178.3	54.9	0	0	0	112	L240 L297 F372 Q394 Q396 T400 A401 L402	L240-L398 HydrophobicContact CB-CD2 4.14Å; L240-L398 HydrophobicContact CD1-CD1 4.45Å; L240-L398 HydrophobicContact CD2-CD1 4.25Å; L297-L398 HydrophobicContact CD1-CD1 3.58Å; L297-L398 HydrophobicContact CD1-CD2 4.18Å; L297-L398 HydrophobicContact CD1-CG 4.47Å; F372-L398 HydrophobicContact CE1-CB 4Å; F372-L398 HydrophobicContact CE1-CD2 3.71Å; F372-L398 HydrophobicContact CE1-CG 3.66Å; F372-L398 HydrophobicContact CZ-CB 4.45Å; F372-L398 HydrophobicContact CZ-CD2 3.63Å; F372-L398 HydrophobicContact CZ-CG 3.61Å; Q394-L398 VanDerWaalsContact O-CB 3.3Å; Q394-L398 WeakPolarHBondContact O-CB 3.49Å; Q394-L398 PolarHBondContact O-N 3Å; Q396-L398 PolarHBondContact O-N 3.08Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 PolarHBondContact O-N 2.86Å; L398-A401 WeakPolarHBondContact O-CB 3.38Å; L398-A401 PolarHBondContact O-N 2.75Å; L398-L402 HydrophobicContact CD1-CG 4.47Å; L398-L402 WeakPolarHBondContact O-CG 3.37Å; L398-L402 PolarHBondContact O-N 3.11Å
399	G	90.1	Very high	87	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.8	-40.3	173	0	0	0	0	0	112.4	T395 Q396 L402 K403	T395-G399 PolarHBondContact O-N 3.1Å; Q396-G399 PolarHBondContact O-N 3.48Å; G399-L402 PolarHBondContact O-N 2.8Å; G399-K403 WeakPolarHBondContact O-CB 3.42Å; G399-K403 PolarHBondContact O-N 3.15Å
400	T	90.5	Very high	86.1	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-39.3	173.5	-59.6	0	0	0	0	112.1	Q396 G397 L398 L402 K403 I404 L426 E430 L434	Q396-T400 WeakPolarHBondContact O-CB 3.47Å; Q396-T400 PolarHBondContact O-N 3.1Å; Q396-T400 PolarHBondContact O-OG1 3.49Å; G397-T400 WeakPolarHBondContact O-CB 3.42Å; G397-T400 PolarHBondContact O-N 3.27Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 PolarHBondContact O-N 2.86Å; T400-L402 PolarHBondContact O-N 3.38Å; T400-K403 WeakPolarHBondContact O-CB 3.33Å; T400-K403 PolarHBondContact O-N 3.3Å; T400-I404 HydrophobicContact CG2-CD1 4.18Å; T400-I404 WeakPolarHBondContact O-CD1 3.22Å; T400-I404 WeakPolarHBondContact O-CG1 3.35Å; T400-I404 PolarHBondContact O-N 3.43Å; T400-L426 HydrophobicContact CG2-CD1 4.49Å; T400-L426 HydrophobicContact CG2-CD2 3.77Å; T400-E430 HydrophobicContact CG2-CB 3.96Å; T400-L434 HydrophobicContact CG2-CB 4.11Å; T400-L434 HydrophobicContact CG2-CD1 4.34Å; T400-L434 HydrophobicContact CG2-CD2 4.28Å; T400-L434 HydrophobicContact CG2-CG 4.49Å
401	A	90.6	Very high	85.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61	-45	175.3	0	0	0	0	0	111.2	E301 A304 G397 L398 I404 L405 L434	E301-A401 HydrophobicContact CG-CB 4.21Å; A304-A401 HydrophobicContact CB-CB 3.74Å; G397-A401 PolarHBondContact O-N 3.47Å; L398-A401 WeakPolarHBondContact O-CB 3.38Å; L398-A401 PolarHBondContact O-N 2.75Å; A401-I404 WeakPolarHBondContact O-CB 3.34Å; A401-I404 PolarHBondContact O-N 2.75Å; A401-L405 WeakPolarHBondContact O-CG 3.43Å; A401-L405 PolarHBondContact O-N 3.19Å; A401-L434 HydrophobicContact CB-CD1 3.85Å
402	L	84.5	Confident	84.2	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-65.8	-41.7	175.7	-64.8	172.8	0	0	0	111.8	L240 I300 I368 F372 L398 G399 T400 I404 L405 F406	L240-L402 HydrophobicContact CD1-CD1 4.02Å; L240-L402 HydrophobicContact CD1-CD2 3.97Å; I300-L402 HydrophobicContact CG2-CD2 4.39Å; I368-L402 HydrophobicContact CG2-CB 4.5Å; I368-L402 HydrophobicContact CG2-CD1 3.64Å; F372-L402 HydrophobicContact CD2-CD1 4.12Å; F372-L402 HydrophobicContact CE2-CD1 3.32Å; F372-L402 HydrophobicContact CZ-CD1 3.7Å; L398-L402 HydrophobicContact CD1-CG 4.47Å; L398-L402 WeakPolarHBondContact O-CG 3.37Å; L398-L402 PolarHBondContact O-N 3.11Å; G399-L402 PolarHBondContact O-N 2.8Å; T400-L402 PolarHBondContact O-N 3.38Å; L402-I404 VanDerWaalsContact C-N 3.25Å; L402-I404 PolarHBondContact O-N 3.09Å; L402-L405 HydrophobicContact CD2-CD1 4.47Å; L402-L405 PolarHBondContact O-N 3.31Å; L402-L405 VanDerWaalsContact O-N 3.13Å; L402-F406 HydrophobicContact CB-CD2 4.37Å; L402-F406 HydrophobicContact CB-CE2 4.27Å; L402-F406 WeakPolarHBondContact O-CD2 3.43Å; L402-F406 PolarHBondContact O-N 3.47Å
403	K	84.9	Confident	83.3	Confident	22 Å²	22	30.5 Å²	30.5	10%	0.096	15%	0.148	C	C	.	.	H	α-helix	trans	-52.5	-44.3	172.2	176.4	-179.5	166.3	-174.9	0	111.6	F154 G399 T400 S407 F424 Q425 L426 E430	F154-K403 HydrophobicContact CB-CB 4.41Å; F154-K403 HydrophobicContact CD1-CB 4.26Å; F154-K403 HydrophobicContact CD2-CB 3.47Å; F154-K403 VanDerWaalsContact CD2-CB 3.47Å; F154-K403 HydrophobicContact CD2-CD 3.86Å; F154-K403 HydrophobicContact CD2-CG 3.57Å; F154-K403 HydrophobicContact CE1-CB 4.39Å; F154-K403 HydrophobicContact CE2-CB 3.61Å; F154-K403 HydrophobicContact CE2-CD 4.38Å; F154-K403 HydrophobicContact CE2-CG 3.63Å; F154-K403 HydrophobicContact CG-CB 3.8Å; F154-K403 HydrophobicContact CG-CG 4.36Å; F154-K403 HydrophobicContact CZ-CB 4.06Å; F154-K403 HydrophobicContact CZ-CG 4.47Å; G399-K403 WeakPolarHBondContact O-CB 3.42Å; G399-K403 PolarHBondContact O-N 3.15Å; T400-K403 WeakPolarHBondContact O-CB 3.33Å; T400-K403 PolarHBondContact O-N 3.3Å; K403-S407 VanDerWaalsContact O-CB 3.28Å; K403-S407 WeakPolarHBondContact O-CB 3.46Å; K403-S407 PolarHBondContact O-N 3.07Å; K403-S407 PolarHBondContact O-OG 2.99Å; K403-F424 HydrophobicContact CG-CE2 4.15Å; K403-Q425 PolarHBondContact NZ-O 2.88Å; K403-L426 HydrophobicContact CD-CD2 4.28Å; K403-E430 WeakPolarHBondContact CD-OE1 3.47Å; K403-E430 IonicContact NZ-OE1 3.52Å; K403-E430 PolarHBondContact NZ-OE1 3.15Å; K403-E430 IonicContact NZ-OE2 4Å; K403-E430 PolarHBondContact NZ-OE2 3.01Å
404	I	84.5	Confident	82.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-49.1	176.7	-71.5	159	0	0	0	111	A304 K307 V308 T400 A401 L402 F406 S407 E408 I411 F424 L426 L434	A304-I404 HydrophobicContact CB-CB 4.28Å; A304-I404 HydrophobicContact CB-CG2 4.15Å; A304-I404 WeakPolarHBondContact O-CG2 3.4Å; K307-I404 HydrophobicContact CB-CG2 4.05Å; V308-I404 HydrophobicContact CB-CD1 3.87Å; V308-I404 HydrophobicContact CB-CG1 4.19Å; V308-I404 HydrophobicContact CB-CG2 3.93Å; V308-I404 HydrophobicContact CG1-CD1 4.16Å; V308-I404 HydrophobicContact CG2-CD1 3.91Å; V308-I404 HydrophobicContact CG2-CG1 4.11Å; T400-I404 HydrophobicContact CG2-CD1 4.18Å; T400-I404 WeakPolarHBondContact O-CD1 3.22Å; T400-I404 WeakPolarHBondContact O-CG1 3.35Å; T400-I404 PolarHBondContact O-N 3.43Å; A401-I404 WeakPolarHBondContact O-CB 3.34Å; A401-I404 PolarHBondContact O-N 2.75Å; L402-I404 VanDerWaalsContact C-N 3.25Å; L402-I404 PolarHBondContact O-N 3.09Å; I404-F406 VanDerWaalsContact C-N 3.31Å; I404-F406 PolarHBondContact O-N 2.9Å; I404-S407 CarbonylContact O-C 3.6Å; I404-S407 PolarHBondContact O-N 2.96Å; I404-E408 PolarHBondContact O-N 3.3Å; I404-I411 HydrophobicContact CB-CD1 4.45Å; I404-I411 HydrophobicContact CG2-CD1 3.86Å; I404-F424 HydrophobicContact CG1-CZ 3.74Å; I404-L426 HydrophobicContact CD1-CD1 4.25Å; I404-L426 HydrophobicContact CG1-CD1 4.48Å; I404-L434 HydrophobicContact CD1-CD1 4.22Å; I404-L434 HydrophobicContact CD1-CD2 3.53Å
405	L	79.3	Confident	80.9	Confident	21 Å²	21	32.6 Å²	32.6	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-37.1	-177.8	-66.8	174.4	0	0	0	112.3	I300 R303 A304 K307 A401 L402 S407	I300-L405 HydrophobicContact CG2-CD1 3.74Å; R303-L405 HydrophobicContact CB-CD2 4.23Å; R303-L405 HydrophobicContact CG-CD2 3.77Å; A304-L405 HydrophobicContact CB-CD1 4.49Å; A304-L405 HydrophobicContact CB-CD2 4.21Å; A304-L405 HydrophobicContact CB-CG 4.06Å; K307-L405 HydrophobicContact CG-CD2 4.48Å; A401-L405 WeakPolarHBondContact O-CG 3.43Å; A401-L405 PolarHBondContact O-N 3.19Å; L402-L405 HydrophobicContact CD2-CD1 4.47Å; L402-L405 PolarHBondContact O-N 3.31Å; L402-L405 VanDerWaalsContact O-N 3.13Å; L405-S407 VanDerWaalsContact C-N 3.29Å; L405-S407 PolarHBondContact O-N 3.13Å
406	F	75.3	Confident	79.4	Confident	39 Å²	39	42.1 Å²	42.1	17%	0.171	21%	0.205	C	C	.	.	H	α-helix	trans	-76.4	-12.2	174.9	-71.8	-61.5	0	0	0	114.5	F154 F354 L364 K365 I368 L402 I404	F154-F406 HydrophobicContact CE1-CD2 4.12Å; F154-F406 HydrophobicContact CZ-CD2 4.16Å; F354-F406 HydrophobicContact CD1-CD1 4.41Å; F354-F406 AromaticContact CD1-CE1 3.4Å; F354-F406 HydrophobicContact CD1-CE1 3.4Å; F354-F406 AromaticContact CD1-CZ 3.62Å; F354-F406 HydrophobicContact CD1-CZ 3.62Å; F354-F406 AromaticContact CE1-CE1 3.59Å; F354-F406 HydrophobicContact CE1-CE1 3.59Å; F354-F406 HydrophobicContact CE1-CE2 4.2Å; F354-F406 AromaticContact CE1-CZ 3.35Å; F354-F406 HydrophobicContact CE1-CZ 3.35Å; F354-F406 HydrophobicContact CG-CE1 4.2Å; F354-F406 HydrophobicContact CZ-CZ 4.3Å; L364-F406 HydrophobicContact CD2-CE1 4.42Å; L364-F406 HydrophobicContact CD2-CZ 4.39Å; L364-F406 HydrophobicContact CG-CZ 4.36Å; K365-F406 HydrophobicContact CB-CD1 4.16Å; K365-F406 HydrophobicContact CB-CD2 4.38Å; K365-F406 HydrophobicContact CB-CE1 4.41Å; K365-F406 HydrophobicContact CB-CG 4.15Å; K365-F406 HydrophobicContact CD-CB 3.98Å; K365-F406 HydrophobicContact CD-CG 4.39Å; K365-F406 HydrophobicContact CG-CB 3.92Å; K365-F406 HydrophobicContact CG-CD1 4.32Å; K365-F406 HydrophobicContact CG-CD2 3.99Å; K365-F406 HydrophobicContact CG-CG 3.83Å; I368-F406 HydrophobicContact CD1-CE2 3.81Å; I368-F406 HydrophobicContact CD1-CZ 3.65Å; I368-F406 HydrophobicContact CG2-CE2 4.43Å; L402-F406 HydrophobicContact CB-CD2 4.37Å; L402-F406 HydrophobicContact CB-CE2 4.27Å; L402-F406 WeakPolarHBondContact O-CD2 3.43Å; L402-F406 PolarHBondContact O-N 3.47Å; I404-F406 VanDerWaalsContact C-N 3.31Å; I404-F406 PolarHBondContact O-N 2.9Å
407	S	75.8	Confident	77.7	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.028	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	18.9	-178	-80.4	0	0	0	0	113	K403 I404 L405 R409 Q410 I411 F424	K403-S407 VanDerWaalsContact O-CB 3.28Å; K403-S407 WeakPolarHBondContact O-CB 3.46Å; K403-S407 PolarHBondContact O-N 3.07Å; K403-S407 PolarHBondContact O-OG 2.99Å; I404-S407 CarbonylContact O-C 3.6Å; I404-S407 PolarHBondContact O-N 2.96Å; L405-S407 VanDerWaalsContact C-N 3.29Å; L405-S407 PolarHBondContact O-N 3.13Å; S407-R409 PolarHBondContact O-N 3.07Å; S407-Q410 WeakPolarHBondContact O-CA 3.11Å; S407-Q410 WeakPolarHBondContact O-CB 3.24Å; S407-Q410 PolarHBondContact O-N 3.48Å; S407-Q410 PolarHBondContact OG-OE1 3.39Å; S407-I411 WeakPolarHBondContact O-CG1 3.11Å; S407-I411 PolarHBondContact O-N 3.31Å; S407-F424 VanDerWaalsContact CB-CD2 3.49Å
408	E	71.1	Confident	75.8	Confident	57 Å²	57	51 Å²	51	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-50.2	-53.4	-177.4	-179.8	172.8	-175.4	0	0	113.1	K307 I404 Q410 I411 E412	K307-E408 HydrophobicContact CD-CG 4.3Å; K307-E408 WeakPolarHBondContact CE-OE1 3.48Å; K307-E408 IonicContact NZ-OE1 2.99Å; K307-E408 PolarHBondContact NZ-OE1 3.48Å; K307-E408 IonicContact NZ-OE2 2.63Å; I404-E408 PolarHBondContact O-N 3.3Å; E408-Q410 PolarHBondContact O-N 3.36Å; E408-I411 PolarHBondContact O-N 3.42Å; E408-I411 VanDerWaalsContact O-N 3.08Å; E408-E412 WeakPolarHBondContact O-CG 3.13Å; E408-E412 PolarHBondContact O-N 3.32Å
409	R	69.5	Low	73.8	Confident	182 Å²	182	59.7 Å²	59.7	69%	0.687	30%	0.304	S	S	*	.	H	α-helix	trans	-58.4	-34.3	178.1	-65.5	-176.1	-178.5	173.2	1.6	112.7	E358 S407 A413	E358-R409 IonicContact OE1-CZ 3.56Å; E358-R409 IonicContact OE1-NH1 2.76Å; E358-R409 PolarHBondContact OE1-NH1 3.21Å; S407-R409 PolarHBondContact O-N 3.07Å; R409-A413 VanDerWaalsContact O-CB 3.23Å; R409-A413 WeakPolarHBondContact O-CB 3.32Å; R409-A413 PolarHBondContact O-N 2.94Å
410	Q	72.7	Confident	72	Confident	74 Å²	74	66.4 Å²	66.4	35%	0.346	34%	0.336	S	S	.	.	H	α-helix	trans	-74	-37.2	179.2	-61.7	172.5	-6.6	0	0	111.3	S407 E408 L414 S423 F424	S407-Q410 WeakPolarHBondContact O-CA 3.11Å; S407-Q410 WeakPolarHBondContact O-CB 3.24Å; S407-Q410 PolarHBondContact O-N 3.48Å; S407-Q410 PolarHBondContact OG-OE1 3.39Å; E408-Q410 PolarHBondContact O-N 3.36Å; Q410-L414 PolarHBondContact O-N 3.26Å; Q410-S423 PolarHBondContact O-OG 3Å; Q410-S423 VanDerWaalsContact O-OG 3.13Å; Q410-F424 HydrophobicContact CB-CB 4.3Å
411	I	73.9	Confident	70.2	Confident	4 Å²	4	72.8 Å²	72.8	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-71.3	-41.4	178.8	-66.3	161.8	0	0	0	110.9	K307 P310 I404 S407 E408 A413 L414 F424	K307-I411 WeakPolarHBondContact O-CG2 3.45Å; P310-I411 HydrophobicContact CB-CG2 4.2Å; P310-I411 HydrophobicContact CG-CG2 4.1Å; I404-I411 HydrophobicContact CB-CD1 4.45Å; I404-I411 HydrophobicContact CG2-CD1 3.86Å; S407-I411 WeakPolarHBondContact O-CG1 3.11Å; S407-I411 PolarHBondContact O-N 3.31Å; E408-I411 PolarHBondContact O-N 3.42Å; E408-I411 VanDerWaalsContact O-N 3.08Å; I411-A413 VanDerWaalsContact C-N 3.3Å; I411-A413 PolarHBondContact O-N 2.96Å; I411-L414 HydrophobicContact CB-CD1 4.48Å; I411-L414 HydrophobicContact CG2-CD1 4.12Å; I411-L414 WeakPolarHBondContact O-CB 3.43Å; I411-L414 WeakPolarHBondContact O-CD1 3.5Å; I411-L414 VanDerWaalsContact O-CG 3.28Å; I411-L414 WeakPolarHBondContact O-CG 3.46Å; I411-L414 PolarHBondContact O-N 3.41Å; I411-F424 HydrophobicContact CD1-CD1 4.27Å; I411-F424 HydrophobicContact CD1-CD2 4.37Å; I411-F424 HydrophobicContact CD1-CE1 4.07Å; I411-F424 HydrophobicContact CD1-CE2 4.16Å; I411-F424 HydrophobicContact CD1-CG 4.41Å; I411-F424 HydrophobicContact CD1-CZ 4.02Å; I411-F424 HydrophobicContact CG1-CB 4.25Å; I411-F424 HydrophobicContact CG1-CD1 3.72Å; I411-F424 HydrophobicContact CG1-CD2 4.1Å; I411-F424 HydrophobicContact CG1-CE1 4.03Å; I411-F424 HydrophobicContact CG1-CE2 4.37Å; I411-F424 HydrophobicContact CG1-CG 3.76Å; I411-F424 HydrophobicContact CG1-CZ 4.35Å
412	E	73.5	Confident	68.7	Low	132 Å²	132	74.8 Å²	74.8	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-66.6	-32.7	175.9	-69.4	-175.8	164	0	0	112.4	E408 L414	E408-E412 WeakPolarHBondContact O-CG 3.13Å; E408-E412 PolarHBondContact O-N 3.32Å; E412-L414 VanDerWaalsContact C-N 3.26Å; E412-L414 PolarHBondContact O-N 2.84Å
413	A	72.3	Confident	67.9	Low	73 Å²	73	77.9 Å²	77.9	60%	0.603	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	10.7	176.7	0	0	0	0	0	114	R409 I411	R409-A413 VanDerWaalsContact O-CB 3.23Å; R409-A413 WeakPolarHBondContact O-CB 3.32Å; R409-A413 PolarHBondContact O-N 2.94Å; I411-A413 VanDerWaalsContact C-N 3.3Å; I411-A413 PolarHBondContact O-N 2.96Å
414	L	72.1	Confident	67.6	Low	19 Å²	19	77.1 Å²	77.1	10%	0.099	39%	0.391	C	S	.	.			trans	-61.9	129.6	180	-81.1	170.7	0	0	0	110.9	F311 Q410 I411 E412 P422 F424	F311-L414 HydrophobicContact CB-CD1 4.01Å; F311-L414 HydrophobicContact CD2-CD1 4.43Å; Q410-L414 PolarHBondContact O-N 3.26Å; I411-L414 HydrophobicContact CB-CD1 4.48Å; I411-L414 HydrophobicContact CG2-CD1 4.12Å; I411-L414 WeakPolarHBondContact O-CB 3.43Å; I411-L414 WeakPolarHBondContact O-CD1 3.5Å; I411-L414 VanDerWaalsContact O-CG 3.28Å; I411-L414 WeakPolarHBondContact O-CG 3.46Å; I411-L414 PolarHBondContact O-N 3.41Å; E412-L414 VanDerWaalsContact C-N 3.26Å; E412-L414 PolarHBondContact O-N 2.84Å; L414-P422 HydrophobicContact CD2-CB 3.67Å; L414-F424 HydrophobicContact CD2-CB 4.36Å
415	P	67.6	Low	67.3	Low	27 Å²	27	82.2 Å²	82.2	18%	0.175	42%	0.415	C	S	.	.			trans	-65.7	140.1	-178.8	25.8	-32.1	0	0	0	110.6	Q314 S417 Q420	Q314-P415 PolarHBondContact NE2-O 3.49Å; P415-S417 VanDerWaalsContact C-N 3.28Å; P415-Q420 HydrophobicContact CB-CB 4.46Å; P415-Q420 HydrophobicContact CG-CB 4.31Å
416	Q	60.6	Low	67.5	Low	203 Å²	203	82 Å²	82	95%	0.949	41%	0.414	S	S	*	.	S	Bend	trans	-80.2	-12.2	172.7	-66.2	-176.8	-5.9	0	0	112.3
417	S	56.6	Low	67.9	Low	72 Å²	72	82.2 Å²	82.2	50%	0.503	42%	0.417	S	S	.	.	S	Bend	trans	-111.2	149.4	-179.7	63.5	0	0	0	0	112.6	P415 E419	P415-S417 VanDerWaalsContact C-N 3.28Å; S417-E419 VanDerWaalsContact C-N 3.25Å; S417-E419 PolarHBondContact O-N 3.17Å
418	T	54	Low	68.2	Low	135 Å²	135	85 Å²	85	83%	0.828	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.8	-174.9	19.3	0	0	0	0	115.5
419	E	51	Low	68.8	Low	185 Å²	185	82.7 Å²	82.7	86%	0.864	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-12.3	-169.7	-63.1	-167.5	173.9	0	0	114.3	S417	S417-E419 VanDerWaalsContact C-N 3.25Å; S417-E419 PolarHBondContact O-N 3.17Å
420	Q	51.2	Low	69.8	Low	141 Å²	141	75 Å²	75	66%	0.659	39%	0.388	S	S	*	.	S	Bend	trans	-115.4	137.1	177.7	-70.3	-178.9	-6.9	0	0	111.2	P415	P415-Q420 HydrophobicContact CB-CB 4.46Å; P415-Q420 HydrophobicContact CG-CB 4.31Å
421	R	53	Low	70.6	Confident	135 Å²	135	71.5 Å²	71.5	51%	0.509	37%	0.372	S	S	.	.			trans	-62.4	129.5	175.8	-66.3	-173.2	-172.3	-137.6	10.8	109	H147 D148 S423	H147-R421 WeakPolarHBondContact CE1-CD 3.45Å; H147-R421 PolarHBondContact CE1-NE 3.28Å; H147-R421 VanDerWaalsContact CE1-NE 3.29Å; H147-R421 PolarHBondContact CE1-NH1 3.18Å; H147-R421 PolarHBondContact ND1-NH1 3.48Å; H147-R421 VanDerWaalsContact NE2-CZ 3.27Å; H147-R421 PolarHBondContact NE2-NH2 3.21Å; D148-R421 IonicContact OD1-NH1 3.11Å; D148-R421 PolarHBondContact OD1-NH1 3.42Å; D148-R421 VanDerWaalsContact OD1-NH1 3.12Å; R421-S423 PolarHBondContact O-N 3.31Å
422	P	60.3	Low	71.4	Confident	42 Å²	42	71.4 Å²	71.4	27%	0.273	37%	0.371	S	S	.	.			trans	-68	135.1	179.8	26.6	-31.7	0	0	0	109.7	L414 F424 Q425	L414-P422 HydrophobicContact CD2-CB 3.67Å; P422-F424 PolarHBondContact O-N 3.14Å; P422-Q425 HydrophobicContact CG-CG 3.88Å
423	S	66.4	Low	72.4	Confident	69 Å²	69	65.1 Å²	65.1	48%	0.483	34%	0.342	S	S	.	.	S	Bend	trans	-64.5	-20.4	176.6	50.7	0	0	0	0	113.2	Q410 R421	Q410-S423 PolarHBondContact O-OG 3Å; Q410-S423 VanDerWaalsContact O-OG 3.13Å; R421-S423 PolarHBondContact O-N 3.31Å
424	F	78.8	Confident	73.6	Confident	5 Å²	5	61.7 Å²	61.7	2%	0.022	31%	0.313	C	S	.	.			trans	-130.1	133.3	-178.6	179.3	-95.6	0	0	0	110.7	V308 F311 K403 I404 S407 Q410 I411 L414 P422 L426	V308-F424 HydrophobicContact CG2-CE1 4.32Å; F311-F424 HydrophobicContact CD2-CD1 4.08Å; F311-F424 HydrophobicContact CD2-CE1 4.42Å; F311-F424 HydrophobicContact CG-CD1 4.46Å; F311-F424 HydrophobicContact CG-CE1 4.44Å; K403-F424 HydrophobicContact CG-CE2 4.15Å; I404-F424 HydrophobicContact CG1-CZ 3.74Å; S407-F424 VanDerWaalsContact CB-CD2 3.49Å; Q410-F424 HydrophobicContact CB-CB 4.3Å; I411-F424 HydrophobicContact CD1-CD1 4.27Å; I411-F424 HydrophobicContact CD1-CD2 4.37Å; I411-F424 HydrophobicContact CD1-CE1 4.07Å; I411-F424 HydrophobicContact CD1-CE2 4.16Å; I411-F424 HydrophobicContact CD1-CG 4.41Å; I411-F424 HydrophobicContact CD1-CZ 4.02Å; I411-F424 HydrophobicContact CG1-CB 4.25Å; I411-F424 HydrophobicContact CG1-CD1 3.72Å; I411-F424 HydrophobicContact CG1-CD2 4.1Å; I411-F424 HydrophobicContact CG1-CE1 4.03Å; I411-F424 HydrophobicContact CG1-CE2 4.37Å; I411-F424 HydrophobicContact CG1-CG 3.76Å; I411-F424 HydrophobicContact CG1-CZ 4.35Å; L414-F424 HydrophobicContact CD2-CB 4.36Å; P422-F424 PolarHBondContact O-N 3.14Å; F424-L426 HydrophobicContact CE1-CD1 3.97Å; F424-L426 HydrophobicContact CE1-CD2 4.1Å; F424-L426 HydrophobicContact CE1-CG 3.67Å; F424-L426 HydrophobicContact CE2-CD2 4.49Å; F424-L426 HydrophobicContact CZ-CD1 4.14Å; F424-L426 HydrophobicContact CZ-CD2 3.66Å; F424-L426 HydrophobicContact CZ-CG 3.78Å
425	Q	79.5	Confident	74.8	Confident	107 Å²	107	60.8 Å²	60.8	50%	0.5	31%	0.308	S	S	.	.			trans	-141.8	148.4	177.4	-63.8	-173.4	14.5	0	0	111.3	K403 P422	K403-Q425 PolarHBondContact NZ-O 2.88Å; P422-Q425 HydrophobicContact CG-CG 3.88Å
426	L	83	Confident	76.2	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.089	30%	0.301	C	S	.	.			trans	-123.2	132.4	171.3	-64	177.1	0	0	0	109.2	V308 F311 F312 T400 K403 I404 F424 E430 V431	V308-L426 HydrophobicContact CG2-CD1 3.88Å; F311-L426 HydrophobicContact CD1-CD1 4.28Å; F311-L426 HydrophobicContact CE1-CB 4.03Å; F311-L426 HydrophobicContact CE1-CD1 4.17Å; F311-L426 HydrophobicContact CE1-CG 4.33Å; F311-L426 HydrophobicContact CZ-CB 4.02Å; F311-L426 HydrophobicContact CZ-CG 4.49Å; F312-L426 HydrophobicContact CZ-CD1 4.43Å; T400-L426 HydrophobicContact CG2-CD1 4.49Å; T400-L426 HydrophobicContact CG2-CD2 3.77Å; K403-L426 HydrophobicContact CD-CD2 4.28Å; I404-L426 HydrophobicContact CD1-CD1 4.25Å; I404-L426 HydrophobicContact CG1-CD1 4.48Å; F424-L426 HydrophobicContact CE1-CD1 3.97Å; F424-L426 HydrophobicContact CE1-CD2 4.1Å; F424-L426 HydrophobicContact CE1-CG 3.67Å; F424-L426 HydrophobicContact CE2-CD2 4.49Å; F424-L426 HydrophobicContact CZ-CD1 4.14Å; F424-L426 HydrophobicContact CZ-CD2 3.66Å; F424-L426 HydrophobicContact CZ-CG 3.78Å; L426-E430 WeakPolarHBondContact CA-OE2 3.38Å; L426-E430 HydrophobicContact CB-CB 4.49Å; L426-E430 HydrophobicContact CD2-CB 4.33Å; L426-V431 HydrophobicContact CB-CG2 3.89Å; L426-V431 HydrophobicContact CD1-CG2 4.45Å
427	N	83.4	Confident	78	Confident	43 Å²	43	50 Å²	50	23%	0.23	26%	0.256	C	S	.	.			trans	-80	169.2	172.5	74.7	21.9	0	0	0	111.1	E160 Q429 E430 V431	E160-N427 PolarHBondContact OE2-ND2 3.37Å; N427-Q429 VanDerWaalsContact C-N 3.28Å; N427-Q429 PolarHBondContact O-N 3.13Å; N427-Q429 PolarHBondContact OD1-N 3.32Å; N427-Q429 VanDerWaalsContact OD1-N 3.14Å; N427-E430 PolarHBondContact N-OE2 3.14Å; N427-E430 PolarHBondContact O-N 2.89Å; N427-E430 WeakPolarHBondContact OD1-CB 3.49Å; N427-E430 VanDerWaalsContact OD1-CG 3.25Å; N427-E430 WeakPolarHBondContact OD1-CG 2.87Å; N427-E430 PolarHBondContact OD1-N 3.23Å; N427-V431 WeakPolarHBondContact O-CG2 3.4Å; N427-V431 PolarHBondContact O-N 3.26Å
428	R	82.1	Confident	80	Confident	62 Å²	62	46.5 Å²	46.5	23%	0.234	23%	0.232	C	C	.	.	H	α-helix	trans	-56.1	-44.4	-179.3	-177.7	178.5	-157.8	132.6	19.1	111.9	Y60 G99 Y320 V431 V432	Y60-R428 HydrophobicContact CE1-CG 4.35Å; Y60-R428 HydrophobicContact CE2-CG 4.44Å; Y60-R428 VanDerWaalsContact CE2-NH2 3.32Å; G99-R428 PolarHBondContact O-NH1 3.45Å; Y320-R428 PolarHBondContact O-NH1 3.25Å; Y320-R428 PolarHBondContact O-NH2 3.29Å; R428-V431 PolarHBondContact O-N 3.22Å; R428-V432 HydrophobicContact CG-CG2 4.27Å; R428-V432 VanDerWaalsContact O-CG2 3.29Å; R428-V432 WeakPolarHBondContact O-CG2 3.36Å; R428-V432 PolarHBondContact O-N 2.73Å
429	Q	84	Confident	82.1	Confident	9 Å²	9	40.1 Å²	40.1	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-41.2	-176.5	-172.2	86	0.1	0	0	112.2	Y64 K65 E160 N427 V431 V432 S433	Y64-Q429 HydrophobicContact CE2-CG 4.1Å; Y64-Q429 PolarHBondContact OH-NE2 3.07Å; K65-Q429 PolarHBondContact O-NE2 2.88Å; E160-Q429 HydrophobicContact CG-CB 4.46Å; E160-Q429 HydrophobicContact CG-CG 4.45Å; E160-Q429 WeakPolarHBondContact OE1-CB 3.02Å; N427-Q429 VanDerWaalsContact C-N 3.28Å; N427-Q429 PolarHBondContact O-N 3.13Å; N427-Q429 PolarHBondContact OD1-N 3.32Å; N427-Q429 VanDerWaalsContact OD1-N 3.14Å; Q429-V431 VanDerWaalsContact C-N 3.35Å; Q429-V432 PolarHBondContact O-N 3.49Å; Q429-S433 VanDerWaalsContact O-CB 3.26Å; Q429-S433 WeakPolarHBondContact O-CB 3.08Å; Q429-S433 PolarHBondContact O-N 3.22Å; Q429-S433 PolarHBondContact O-OG 3.39Å; Q429-S433 VanDerWaalsContact O-OG 3.06Å
430	E	89	Confident	84.3	Confident	21 Å²	21	32.4 Å²	32.4	10%	0.098	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-41.3	172.7	-74.4	178.3	122.4	0	0	111.1	T400 K403 L426 N427 S433 L434	T400-E430 HydrophobicContact CG2-CB 3.96Å; K403-E430 WeakPolarHBondContact CD-OE1 3.47Å; K403-E430 IonicContact NZ-OE1 3.52Å; K403-E430 PolarHBondContact NZ-OE1 3.15Å; K403-E430 IonicContact NZ-OE2 4Å; K403-E430 PolarHBondContact NZ-OE2 3.01Å; L426-E430 WeakPolarHBondContact CA-OE2 3.38Å; L426-E430 HydrophobicContact CB-CB 4.49Å; L426-E430 HydrophobicContact CD2-CB 4.33Å; N427-E430 PolarHBondContact N-OE2 3.14Å; N427-E430 PolarHBondContact O-N 2.89Å; N427-E430 WeakPolarHBondContact OD1-CB 3.49Å; N427-E430 VanDerWaalsContact OD1-CG 3.25Å; N427-E430 WeakPolarHBondContact OD1-CG 2.87Å; N427-E430 PolarHBondContact OD1-N 3.23Å; E430-S433 WeakPolarHBondContact CA-OG 3.5Å; E430-S433 PolarHBondContact O-OG 3.33Å; E430-L434 WeakPolarHBondContact O-CB 3.49Å; E430-L434 PolarHBondContact O-N 3.03Å
431	V	90.8	Very high	86.5	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-66.3	-46	175.8	175.1	0	0	0	0	110.9	Y60 F61 F312 L426 N427 R428 Q429 L435	Y60-V431 HydrophobicContact CE1-CG1 3.94Å; F61-V431 HydrophobicContact CE1-CG1 3.9Å; F61-V431 HydrophobicContact CZ-CG1 4.19Å; F312-V431 HydrophobicContact CE1-CG1 3.87Å; F312-V431 HydrophobicContact CE1-CG2 4.03Å; F312-V431 HydrophobicContact CZ-CG1 4.02Å; F312-V431 HydrophobicContact CZ-CG2 4.01Å; L426-V431 HydrophobicContact CB-CG2 3.89Å; L426-V431 HydrophobicContact CD1-CG2 4.45Å; N427-V431 WeakPolarHBondContact O-CG2 3.4Å; N427-V431 PolarHBondContact O-N 3.26Å; R428-V431 PolarHBondContact O-N 3.22Å; Q429-V431 VanDerWaalsContact C-N 3.35Å; V431-L435 WeakPolarHBondContact O-CD2 3.24Å; V431-L435 PolarHBondContact O-N 2.85Å
432	V	90.4	Very high	88.7	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-44.4	178.7	172.2	0	0	0	0	110.9	Y60 F61 Y64 R428 Q429 N436	Y60-V432 HydrophobicContact CD1-CG2 4.16Å; Y60-V432 HydrophobicContact CE1-CG2 4.01Å; Y60-V432 WeakPolarHBondContact O-CG2 3.48Å; F61-V432 HydrophobicContact CD1-CG2 4.43Å; Y64-V432 HydrophobicContact CD2-CG1 4.04Å; R428-V432 HydrophobicContact CG-CG2 4.27Å; R428-V432 VanDerWaalsContact O-CG2 3.29Å; R428-V432 WeakPolarHBondContact O-CG2 3.36Å; R428-V432 PolarHBondContact O-N 2.73Å; Q429-V432 PolarHBondContact O-N 3.49Å; V432-N436 WeakPolarHBondContact CG1-ND2 3Å; V432-N436 VanDerWaalsContact O-CB 3.29Å; V432-N436 WeakPolarHBondContact O-CB 2.85Å; V432-N436 PolarHBondContact O-N 2.86Å; V432-N436 PolarHBondContact O-ND2 3.17Å
433	S	95.1	Very high	90.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-43.3	180	66.2	0	0	0	0	111.8	V393 G397 Q429 E430 L435 N436 A437	V393-S433 WeakPolarHBondContact O-CB 3.35Å; G397-S433 PolarHBondContact N-OG 2.89Å; Q429-S433 VanDerWaalsContact O-CB 3.26Å; Q429-S433 WeakPolarHBondContact O-CB 3.08Å; Q429-S433 PolarHBondContact O-N 3.22Å; Q429-S433 PolarHBondContact O-OG 3.39Å; Q429-S433 VanDerWaalsContact O-OG 3.06Å; E430-S433 WeakPolarHBondContact CA-OG 3.5Å; E430-S433 PolarHBondContact O-OG 3.33Å; S433-L435 PolarHBondContact O-N 3.28Å; S433-N436 PolarHBondContact O-N 3.46Å; S433-A437 WeakPolarHBondContact O-CB 3.44Å; S433-A437 PolarHBondContact O-N 2.52Å
434	L	96.6	Very high	92	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-56.5	-52.4	178.8	177.9	67.9	0	0	0	111.7	L305 T400 A401 I404 E430 F438	L305-L434 HydrophobicContact CD2-CD2 3.99Å; L305-L434 HydrophobicContact CD2-CG 4.04Å; T400-L434 HydrophobicContact CG2-CB 4.11Å; T400-L434 HydrophobicContact CG2-CD1 4.34Å; T400-L434 HydrophobicContact CG2-CD2 4.28Å; T400-L434 HydrophobicContact CG2-CG 4.49Å; A401-L434 HydrophobicContact CB-CD1 3.85Å; I404-L434 HydrophobicContact CD1-CD1 4.22Å; I404-L434 HydrophobicContact CD1-CD2 3.53Å; E430-L434 WeakPolarHBondContact O-CB 3.49Å; E430-L434 PolarHBondContact O-N 3.03Å; L434-F438 PolarHBondContact O-N 2.61Å; L434-F438 VanDerWaalsContact O-N 3.13Å
435	L	97.6	Very high	92.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-71.8	-37.6	-177.6	-82.7	-61.4	0	0	0	111.7	L52 L55 L56 F61 L305 L334 V431 S433 G439	L52-L435 HydrophobicContact CD1-CD1 4.24Å; L55-L435 HydrophobicContact CD2-CD1 4.24Å; L55-L435 HydrophobicContact CD2-CG 4.45Å; L56-L435 HydrophobicContact CD2-CB 4.05Å; L56-L435 WeakPolarHBondContact CD2-O 3.49Å; F61-L435 HydrophobicContact CD1-CB 3.88Å; F61-L435 HydrophobicContact CD1-CG 4.37Å; F61-L435 HydrophobicContact CE1-CB 3.67Å; F61-L435 HydrophobicContact CE1-CD2 4.12Å; F61-L435 HydrophobicContact CE1-CG 3.68Å; F61-L435 HydrophobicContact CZ-CG 4.16Å; L305-L435 HydrophobicContact CD2-CD1 4.03Å; L305-L435 HydrophobicContact CD2-CD2 4.25Å; L334-L435 HydrophobicContact CD1-CD1 4.06Å; L334-L435 HydrophobicContact CD1-CD2 4.41Å; L334-L435 HydrophobicContact CD1-CG 4.26Å; V431-L435 WeakPolarHBondContact O-CD2 3.24Å; V431-L435 PolarHBondContact O-N 2.85Å; S433-L435 PolarHBondContact O-N 3.28Å; L435-G439 PolarHBondContact O-N 3.35Å
436	N	97.5	Very high	93.7	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-68.7	-39.4	176.7	-84.8	-78	0	0	0	112.5	F61 L170 V393 V432 S433 G439 R440	F61-N436 PolarHBondContact O-ND2 3.43Å; L170-N436 HydrophobicContact CD1-CB 4.39Å; L170-N436 WeakPolarHBondContact CD1-OD1 3.44Å; V393-N436 HydrophobicContact CG1-CB 3.71Å; V432-N436 WeakPolarHBondContact CG1-ND2 3Å; V432-N436 VanDerWaalsContact O-CB 3.29Å; V432-N436 WeakPolarHBondContact O-CB 2.85Å; V432-N436 PolarHBondContact O-N 2.86Å; V432-N436 PolarHBondContact O-ND2 3.17Å; S433-N436 PolarHBondContact O-N 3.46Å; N436-G439 WeakPolarHBondContact O-CA 3.44Å; N436-G439 PolarHBondContact O-N 3.17Å; N436-R440 WeakPolarHBondContact O-CG 3.21Å; N436-R440 PolarHBondContact O-N 3.49Å
437	A	97.6	Very high	94.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.8	-54.3	175	0	0	0	0	0	110.3	S433 G439 R440 I441	S433-A437 WeakPolarHBondContact O-CB 3.44Å; S433-A437 PolarHBondContact O-N 2.52Å; A437-G439 VanDerWaalsContact C-N 3.25Å; A437-G439 PolarHBondContact O-N 3.4Å; A437-R440 WeakPolarHBondContact O-CB 3.36Å; A437-R440 PolarHBondContact O-N 3.14Å; A437-I441 PolarHBondContact O-N 2.88Å; A437-I441 VanDerWaalsContact O-N 3.1Å
438	F	98.3	Very high	94.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.4	-38.8	174.9	-177.2	-108.1	0	0	0	112.4	I48 L52 Y298 E301 L302 L305 L434 R440 I441 S442	I48-F438 HydrophobicContact CG2-CE1 3.71Å; I48-F438 HydrophobicContact CG2-CZ 4.14Å; L52-F438 HydrophobicContact CD2-CD1 3.61Å; L52-F438 HydrophobicContact CD2-CE1 3.81Å; Y298-F438 HydrophobicContact CD2-CD2 4.38Å; Y298-F438 AromaticContact CD2-CE2 3.58Å; Y298-F438 HydrophobicContact CD2-CE2 3.58Å; Y298-F438 HydrophobicContact CD2-CZ 4.11Å; Y298-F438 HydrophobicContact CE2-CD2 4.45Å; Y298-F438 AromaticContact CE2-CE2 3.38Å; Y298-F438 HydrophobicContact CE2-CE2 3.38Å; Y298-F438 AromaticContact CE2-CZ 3.41Å; Y298-F438 HydrophobicContact CE2-CZ 3.41Å; Y298-F438 VanDerWaalsContact CE2-CZ 3.41Å; Y298-F438 HydrophobicContact CG-CE2 4.39Å; Y298-F438 AromaticContact CZ-CZ 3.84Å; E301-F438 HydrophobicContact CB-CD2 3.7Å; E301-F438 HydrophobicContact CB-CE2 4.45Å; E301-F438 WeakPolarHBondContact OE2-CA 2.95Å; E301-F438 PolarHBondContact OE2-N 3.17Å; L302-F438 HydrophobicContact CB-CE2 4.03Å; L302-F438 HydrophobicContact CB-CZ 4.42Å; L302-F438 HydrophobicContact CD1-CE2 4.2Å; L302-F438 HydrophobicContact CD1-CZ 3.72Å; L305-F438 HydrophobicContact CD1-CB 4.11Å; L305-F438 HydrophobicContact CD1-CD1 3.33Å; L305-F438 HydrophobicContact CD1-CD2 3.98Å; L305-F438 HydrophobicContact CD1-CE1 3.62Å; L305-F438 HydrophobicContact CD1-CE2 4.23Å; L305-F438 HydrophobicContact CD1-CG 3.52Å; L305-F438 HydrophobicContact CD1-CZ 4.07Å; L434-F438 PolarHBondContact O-N 2.61Å; L434-F438 VanDerWaalsContact O-N 3.13Å; F438-R440 VanDerWaalsContact C-N 3.3Å; F438-R440 PolarHBondContact O-N 3.13Å; F438-I441 PolarHBondContact O-N 3.14Å; F438-S442 VanDerWaalsContact O-CB 3.22Å; F438-S442 WeakPolarHBondContact O-CB 3.39Å; F438-S442 PolarHBondContact O-N 3.23Å
439	G	98	Very high	95.4	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-56.1	-39.7	172.3	0	0	0	0	0	114.2	L435 N436 A437 T443	L435-G439 PolarHBondContact O-N 3.35Å; N436-G439 WeakPolarHBondContact O-CA 3.44Å; N436-G439 PolarHBondContact O-N 3.17Å; A437-G439 VanDerWaalsContact C-N 3.25Å; A437-G439 PolarHBondContact O-N 3.4Å; G439-T443 WeakPolarHBondContact O-CB 3.43Å; G439-T443 PolarHBondContact O-N 2.99Å; G439-T443 PolarHBondContact O-OG1 3.01Å
440	R	98.1	Very high	95.9	Very high	23 Å²	23	16.7 Å²	16.7	9%	0.087	7%	0.074	C	C	.	.	H	α-helix	trans	-68.2	-48.9	173.6	-62	-52.5	83.2	145.4	-1.2	110.1	H251 W390 Q394 N436 A437 F438 S442 T443 S444	H251-R440 PolarHBondContact CE1-O 3.16Å; W390-R440 HydrophobicContact CE3-CG 3.88Å; W390-R440 HydrophobicContact CZ3-CG 3.72Å; Q394-R440 HydrophobicContact CG-CG 4.41Å; N436-R440 WeakPolarHBondContact O-CG 3.21Å; N436-R440 PolarHBondContact O-N 3.49Å; A437-R440 WeakPolarHBondContact O-CB 3.36Å; A437-R440 PolarHBondContact O-N 3.14Å; F438-R440 VanDerWaalsContact C-N 3.3Å; F438-R440 PolarHBondContact O-N 3.13Å; R440-S442 VanDerWaalsContact C-N 3.32Å; R440-S442 PolarHBondContact O-N 2.88Å; R440-T443 CarbonylContact O-C 3.58Å; R440-T443 WeakPolarHBondContact O-CA 3.38Å; R440-T443 WeakPolarHBondContact O-CB 3.3Å; R440-T443 PolarHBondContact O-N 3.47Å; R440-S444 PolarHBondContact O-N 3.35Å; R440-S444 PolarHBondContact O-OG 3.47Å
441	I	98.1	Very high	96.2	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-60.9	-43.2	-179.3	-48.5	-47.5	0	0	0	111.5	S247 L294 L297 Y298 E301 A437 F438 T443 S444 I445	S247-I441 WeakPolarHBondContact OG-CD1 3.46Å; L294-I441 HydrophobicContact CD1-CG2 4.13Å; L297-I441 HydrophobicContact CD2-CD1 3.56Å; L297-I441 HydrophobicContact CD2-CG1 4.01Å; L297-I441 HydrophobicContact CG-CD1 4.32Å; L297-I441 HydrophobicContact CG-CG1 4.23Å; Y298-I441 HydrophobicContact CD2-CG2 4.11Å; Y298-I441 HydrophobicContact CG-CG2 4.42Å; E301-I441 WeakPolarHBondContact OE2-CG1 3.39Å; A437-I441 PolarHBondContact O-N 2.88Å; A437-I441 VanDerWaalsContact O-N 3.1Å; F438-I441 PolarHBondContact O-N 3.14Å; I441-T443 VanDerWaalsContact C-N 3.32Å; I441-T443 PolarHBondContact O-N 3.3Å; I441-S444 WeakPolarHBondContact O-CB 3.35Å; I441-S444 PolarHBondContact O-N 2.78Å; I441-S444 VanDerWaalsContact O-N 3.14Å; I441-I445 PolarHBondContact O-N 3.19Å
442	S	98	Very high	96.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.7	-40	172.9	177.8	0	0	0	0	112.5	N44 F438 R440 R446	N44-S442 PolarHBondContact ND2-O 2.84Å; N44-S442 WeakPolarHBondContact OD1-CA 3.47Å; N44-S442 VanDerWaalsContact OD1-CB 3.29Å; N44-S442 WeakPolarHBondContact OD1-CB 3.3Å; N44-S442 PolarHBondContact OD1-OG 2.76Å; F438-S442 VanDerWaalsContact O-CB 3.22Å; F438-S442 WeakPolarHBondContact O-CB 3.39Å; F438-S442 PolarHBondContact O-N 3.23Å; R440-S442 VanDerWaalsContact C-N 3.32Å; R440-S442 PolarHBondContact O-N 2.88Å; S442-R446 PolarHBondContact O-N 3.45Å; S442-R446 VanDerWaalsContact O-N 3.16Å
443	T	98.2	Very high	96.2	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-64.5	-44.7	173.1	-57.2	0	0	0	0	111.3	F49 G439 R440 I441 I445 R446 E447	F49-T443 HydrophobicContact CE2-CG2 4.44Å; G439-T443 WeakPolarHBondContact O-CB 3.43Å; G439-T443 PolarHBondContact O-N 2.99Å; G439-T443 PolarHBondContact O-OG1 3.01Å; R440-T443 CarbonylContact O-C 3.58Å; R440-T443 WeakPolarHBondContact O-CA 3.38Å; R440-T443 WeakPolarHBondContact O-CB 3.3Å; R440-T443 PolarHBondContact O-N 3.47Å; I441-T443 VanDerWaalsContact C-N 3.32Å; I441-T443 PolarHBondContact O-N 3.3Å; T443-I445 VanDerWaalsContact C-N 3.33Å; T443-I445 PolarHBondContact O-N 2.93Å; T443-R446 WeakPolarHBondContact O-CA 3.46Å; T443-R446 WeakPolarHBondContact O-CB 3.4Å; T443-R446 PolarHBondContact O-N 2.82Å; T443-R446 VanDerWaalsContact O-N 3.09Å; T443-E447 HydrophobicContact CG2-CG 4.28Å; T443-E447 WeakPolarHBondContact O-CG 3.09Å; T443-E447 PolarHBondContact O-N 3.22Å
444	S	98.2	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.6	-44.7	177.9	-69.4	0	0	0	0	111.8	S247 H251 R440 I441 R446 E447 L448	S247-S444 WeakPolarHBondContact CA-OG 3.38Å; S247-S444 PolarHBondContact O-OG 3.25Å; S247-S444 PolarHBondContact OG-OG 2.82Å; H251-S444 PolarHBondContact CE1-OG 3.22Å; H251-S444 PolarHBondContact ND1-OG 3.42Å; H251-S444 VanDerWaalsContact ND1-OG 3.08Å; R440-S444 PolarHBondContact O-N 3.35Å; R440-S444 PolarHBondContact O-OG 3.47Å; I441-S444 WeakPolarHBondContact O-CB 3.35Å; I441-S444 PolarHBondContact O-N 2.78Å; I441-S444 VanDerWaalsContact O-N 3.14Å; S444-R446 VanDerWaalsContact C-N 3.32Å; S444-R446 PolarHBondContact O-N 3.17Å; S444-E447 PolarHBondContact O-N 3.4Å; S444-E447 VanDerWaalsContact O-N 3.16Å; S444-L448 WeakPolarHBondContact O-CG 3.44Å; S444-L448 PolarHBondContact O-N 3.41Å
445	I	96.6	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-42	175.5	-68.7	175	0	0	0	111.4	I40 D41 N44 L294 Y295 Y298 I441 T443 E447 L448 K449	I40-I445 HydrophobicContact CG2-CD1 4.02Å; D41-I445 WeakPolarHBondContact OD1-CG2 3.48Å; N44-I445 HydrophobicContact CB-CG2 4.03Å; L294-I445 HydrophobicContact CD2-CG1 4.41Å; Y295-I445 HydrophobicContact CD1-CD1 4.08Å; Y295-I445 HydrophobicContact CD1-CG1 4.32Å; Y295-I445 HydrophobicContact CE1-CD1 4.13Å; Y295-I445 HydrophobicContact CE1-CG1 4.03Å; Y295-I445 HydrophobicContact CE1-CG2 4.16Å; Y298-I445 HydrophobicContact CD1-CD1 3.82Å; Y298-I445 HydrophobicContact CD2-CD1 3.31Å; Y298-I445 HydrophobicContact CE1-CD1 4.3Å; Y298-I445 HydrophobicContact CE2-CD1 3.82Å; Y298-I445 HydrophobicContact CG-CD1 3.28Å; I441-I445 PolarHBondContact O-N 3.19Å; T443-I445 VanDerWaalsContact C-N 3.33Å; T443-I445 PolarHBondContact O-N 2.93Å; I445-E447 VanDerWaalsContact C-N 3.34Å; I445-E447 PolarHBondContact O-N 2.89Å; I445-L448 WeakPolarHBondContact O-CB 3.35Å; I445-L448 PolarHBondContact O-N 3.36Å; I445-K449 PolarHBondContact O-N 2.67Å
446	R	96.8	Very high	94.9	Very high	116 Å²	116	24.8 Å²	24.8	44%	0.438	13%	0.126	S	C	.	.	H	α-helix	trans	-60.9	-43.3	174.4	-176.4	-179	176.5	-167.7	-0.1	112	N45 F49 S442 T443 S444 L448 K449 T450	N45-R446 WeakPolarHBondContact OD1-CA 3.47Å; N45-R446 WeakPolarHBondContact OD1-CB 3.2Å; N45-R446 PolarHBondContact OD1-N 3.14Å; F49-R446 HydrophobicContact CD2-CB 4.18Å; F49-R446 HydrophobicContact CE2-CB 4.33Å; F49-R446 VanDerWaalsContact CZ-NH1 3.29Å; S442-R446 PolarHBondContact O-N 3.45Å; S442-R446 VanDerWaalsContact O-N 3.16Å; T443-R446 WeakPolarHBondContact O-CA 3.46Å; T443-R446 WeakPolarHBondContact O-CB 3.4Å; T443-R446 PolarHBondContact O-N 2.82Å; T443-R446 VanDerWaalsContact O-N 3.09Å; S444-R446 VanDerWaalsContact C-N 3.32Å; S444-R446 PolarHBondContact O-N 3.17Å; R446-L448 VanDerWaalsContact C-N 3.3Å; R446-L448 PolarHBondContact O-N 2.91Å; R446-K449 WeakPolarHBondContact O-CB 3.16Å; R446-K449 PolarHBondContact O-N 3.32Å; R446-T450 PolarHBondContact O-N 3.16Å; R446-T450 PolarHBondContact O-OG1 3.47Å
447	E	97.4	Very high	94	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.112	16%	0.158	C	C	.	.	H	α-helix	trans	-67.5	-29.6	178.6	-64.2	-58.2	168.1	0	0	112.5	V250 A254 H269 T443 S444 I445 K449 T450 F451	V250-E447 HydrophobicContact CG1-CB 3.86Å; A254-E447 HydrophobicContact CB-CB 4.06Å; A254-E447 HydrophobicContact CB-CG 3.72Å; H269-E447 IonicContact CD2-OE2 3.19Å; H269-E447 IonicContact CE1-OE2 2.75Å; H269-E447 IonicContact NE2-OE2 2.96Å; H269-E447 PolarHBondContact NE2-OE2 3.34Å; T443-E447 HydrophobicContact CG2-CG 4.28Å; T443-E447 WeakPolarHBondContact O-CG 3.09Å; T443-E447 PolarHBondContact O-N 3.22Å; S444-E447 PolarHBondContact O-N 3.4Å; S444-E447 VanDerWaalsContact O-N 3.16Å; I445-E447 VanDerWaalsContact C-N 3.34Å; I445-E447 PolarHBondContact O-N 2.89Å; E447-K449 VanDerWaalsContact C-N 3.29Å; E447-K449 PolarHBondContact O-N 3.44Å; E447-T450 WeakPolarHBondContact O-CB 3.06Å; E447-T450 PolarHBondContact O-N 3.48Å; E447-T450 VanDerWaalsContact O-N 3.14Å; E447-F451 VanDerWaalsContact O-CD2 3.24Å; E447-F451 WeakPolarHBondContact O-CD2 3.46Å; E447-F451 PolarHBondContact O-N 3.15Å
448	L	95.2	Very high	92.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-39.4	171.9	-65.5	-175.2	0	0	0	111.7	F23 V250 F274 L291 L294 Y295 S444 I445 R446 T450 F451 R452	F23-L448 HydrophobicContact CE1-CB 4.38Å; F23-L448 HydrophobicContact CE1-CD2 4.32Å; V250-L448 HydrophobicContact CG1-CD2 4.46Å; V250-L448 HydrophobicContact CG2-CD2 4.04Å; F274-L448 HydrophobicContact CE2-CD2 3.75Å; F274-L448 HydrophobicContact CZ-CD2 3.78Å; L291-L448 HydrophobicContact CD2-CD1 4.17Å; L291-L448 HydrophobicContact CD2-CD2 3.74Å; L294-L448 HydrophobicContact CD2-CD1 3.78Å; L294-L448 HydrophobicContact CD2-CG 4.43Å; Y295-L448 HydrophobicContact CE2-CD1 3.77Å; S444-L448 WeakPolarHBondContact O-CG 3.44Å; S444-L448 PolarHBondContact O-N 3.41Å; I445-L448 WeakPolarHBondContact O-CB 3.35Å; I445-L448 PolarHBondContact O-N 3.36Å; R446-L448 VanDerWaalsContact C-N 3.3Å; R446-L448 PolarHBondContact O-N 2.91Å; L448-T450 VanDerWaalsContact C-N 3.34Å; L448-T450 PolarHBondContact O-N 3.46Å; L448-F451 PolarHBondContact O-N 3.24Å; L448-R452 WeakPolarHBondContact O-CB 3.46Å; L448-R452 VanDerWaalsContact O-CG 3.29Å; L448-R452 WeakPolarHBondContact O-CG 3.24Å; L448-R452 PolarHBondContact O-N 3.08Å
449	K	92.9	Very high	89.9	Confident	106 Å²	106	47.7 Å²	47.7	46%	0.461	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-44.3	173.1	-176.3	176	179.7	172.8	0	111.1	I445 R446 E447 R452 S453	I445-K449 PolarHBondContact O-N 2.67Å; R446-K449 WeakPolarHBondContact O-CB 3.16Å; R446-K449 PolarHBondContact O-N 3.32Å; E447-K449 VanDerWaalsContact C-N 3.29Å; E447-K449 PolarHBondContact O-N 3.44Å; K449-R452 WeakPolarHBondContact O-CB 2.85Å; K449-R452 PolarHBondContact O-N 2.66Å; K449-S453 PolarHBondContact O-N 3.05Å; K449-S453 VanDerWaalsContact O-N 3.16Å; K449-S453 PolarHBondContact O-OG 3.38Å
450	T	93.9	Very high	89.4	Confident	46 Å²	46	50.1 Å²	50.1	28%	0.282	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-47.8	176.5	-49.2	0	0	0	0	111.6	R446 E447 L448 R452 S453 L454	R446-T450 PolarHBondContact O-N 3.16Å; R446-T450 PolarHBondContact O-OG1 3.47Å; E447-T450 WeakPolarHBondContact O-CB 3.06Å; E447-T450 PolarHBondContact O-N 3.48Å; E447-T450 VanDerWaalsContact O-N 3.14Å; L448-T450 VanDerWaalsContact C-N 3.34Å; L448-T450 PolarHBondContact O-N 3.46Å; T450-R452 VanDerWaalsContact C-N 3.33Å; T450-R452 PolarHBondContact O-N 3.13Å; T450-S453 WeakPolarHBondContact O-CB 3.44Å; T450-S453 PolarHBondContact O-N 2.88Å; T450-L454 HydrophobicContact CG2-CD1 4.07Å; T450-L454 HydrophobicContact CG2-CG 4.41Å; T450-L454 WeakPolarHBondContact O-CG 3.37Å; T450-L454 PolarHBondContact O-N 2.98Å
451	F	94.8	Very high	89	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-36.5	177.5	-78.9	-61.9	0	0	0	112.8	F23 A254 H269 F274 E447 L448 S453 L454 L455	F23-F451 HydrophobicContact CZ-CB 4.5Å; A254-F451 HydrophobicContact CB-CE2 3.87Å; A254-F451 HydrophobicContact CB-CZ 4.1Å; H269-F451 HydrophobicContact CB-CE1 4.11Å; H269-F451 HydrophobicContact CB-CZ 4.43Å; H269-F451 AromaticContact CD2-CZ 3.99Å; F274-F451 HydrophobicContact CB-CD1 3.95Å; F274-F451 HydrophobicContact CB-CE1 3.68Å; F274-F451 HydrophobicContact CB-CE2 4.43Å; F274-F451 HydrophobicContact CB-CG 4.45Å; F274-F451 HydrophobicContact CB-CZ 3.93Å; F274-F451 HydrophobicContact CD1-CB 4.16Å; F274-F451 HydrophobicContact CD1-CD1 4.1Å; F274-F451 HydrophobicContact CD1-CG 4.03Å; F274-F451 HydrophobicContact CD2-CD1 4.17Å; F274-F451 AromaticContact CD2-CD2 3.49Å; F274-F451 HydrophobicContact CD2-CD2 3.49Å; F274-F451 VanDerWaalsContact CD2-CD2 3.49Å; F274-F451 HydrophobicContact CD2-CE1 4.24Å; F274-F451 AromaticContact CD2-CE2 3.55Å; F274-F451 HydrophobicContact CD2-CE2 3.55Å; F274-F451 AromaticContact CD2-CG 3.82Å; F274-F451 HydrophobicContact CD2-CG 3.82Å; F274-F451 AromaticContact CD2-CZ 3.94Å; F274-F451 HydrophobicContact CD2-CZ 3.94Å; F274-F451 HydrophobicContact CE1-CB 3.98Å; F274-F451 HydrophobicContact CE1-CG 4.24Å; F274-F451 HydrophobicContact CE2-CB 4.34Å; F274-F451 AromaticContact CE2-CD2 3.63Å; F274-F451 HydrophobicContact CE2-CD2 3.63Å; F274-F451 HydrophobicContact CE2-CE2 4.08Å; F274-F451 HydrophobicContact CE2-CG 4.03Å; F274-F451 HydrophobicContact CG-CB 4.44Å; F274-F451 AromaticContact CG-CD1 3.8Å; F274-F451 HydrophobicContact CG-CD1 3.8Å; F274-F451 AromaticContact CG-CD2 3.99Å; F274-F451 HydrophobicContact CG-CD2 3.99Å; F274-F451 AromaticContact CG-CE1 3.95Å; F274-F451 HydrophobicContact CG-CE1 3.95Å; F274-F451 HydrophobicContact CG-CE2 4.12Å; F274-F451 AromaticContact CG-CG 3.82Å; F274-F451 HydrophobicContact CG-CG 3.82Å; F274-F451 HydrophobicContact CG-CZ 4.1Å; F274-F451 HydrophobicContact CZ-CB 4.09Å; F274-F451 HydrophobicContact CZ-CD2 4.23Å; F274-F451 HydrophobicContact CZ-CG 4.25Å; E447-F451 VanDerWaalsContact O-CD2 3.24Å; E447-F451 WeakPolarHBondContact O-CD2 3.46Å; E447-F451 PolarHBondContact O-N 3.15Å; L448-F451 PolarHBondContact O-N 3.24Å; F451-S453 VanDerWaalsContact C-N 3.3Å; F451-S453 PolarHBondContact O-N 3.02Å; F451-L454 HydrophobicContact CD1-CD1 4.43Å; F451-L454 PolarHBondContact O-N 3.48Å; F451-L455 VanDerWaalsContact O-CB 3.27Å; F451-L455 WeakPolarHBondContact O-CB 3.04Å; F451-L455 WeakPolarHBondContact O-CD1 3.42Å; F451-L455 VanDerWaalsContact O-CG 3.24Å; F451-L455 WeakPolarHBondContact O-CG 3.46Å; F451-L455 PolarHBondContact O-N 3.48Å
452	R	90.1	Very high	88.5	Confident	37 Å²	37	54.3 Å²	54.3	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-43.1	173.2	-77.6	177.4	-168.6	-179.3	11.4	111.6	H19 F23 D41 Y295 L448 K449 T450 A456	H19-R452 PolarHBondContact ND1-O 3.14Å; H19-R452 VanDerWaalsContact ND1-O 3.12Å; F23-R452 HydrophobicContact CD1-CG 3.83Å; F23-R452 HydrophobicContact CD2-CG 3.52Å; F23-R452 HydrophobicContact CE1-CG 3.72Å; F23-R452 HydrophobicContact CE2-CB 4.28Å; F23-R452 HydrophobicContact CE2-CG 3.4Å; F23-R452 VanDerWaalsContact CE2-CG 3.4Å; F23-R452 HydrophobicContact CG-CG 3.73Å; F23-R452 HydrophobicContact CZ-CG 3.5Å; D41-R452 IonicContact OD2-CZ 2.71Å; D41-R452 VanDerWaalsContact OD2-CZ 3.23Å; D41-R452 IonicContact OD2-NH1 3.66Å; D41-R452 PolarHBondContact OD2-NH1 3.15Å; D41-R452 IonicContact OD2-NH2 3.44Å; D41-R452 PolarHBondContact OD2-NH2 3.02Å; D41-R452 VanDerWaalsContact OD2-NH2 3.12Å; Y295-R452 PolarHBondContact OH-NH2 3.49Å; Y295-R452 VanDerWaalsContact OH-NH2 3.09Å; L448-R452 WeakPolarHBondContact O-CB 3.46Å; L448-R452 VanDerWaalsContact O-CG 3.29Å; L448-R452 WeakPolarHBondContact O-CG 3.24Å; L448-R452 PolarHBondContact O-N 3.08Å; K449-R452 WeakPolarHBondContact O-CB 2.85Å; K449-R452 PolarHBondContact O-N 2.66Å; T450-R452 VanDerWaalsContact C-N 3.33Å; T450-R452 PolarHBondContact O-N 3.13Å; R452-A456 WeakPolarHBondContact O-CB 3.32Å; R452-A456 PolarHBondContact O-N 3.49Å
453	S	91.6	Very high	87.9	Confident	61 Å²	61	57.5 Å²	57.5	43%	0.427	27%	0.27	S	S	.	.	H	α-helix	trans	-67.4	-49.9	176.6	-63.7	0	0	0	0	112.1	K449 T450 F451 L455 A456 E457	K449-S453 PolarHBondContact O-N 3.05Å; K449-S453 VanDerWaalsContact O-N 3.16Å; K449-S453 PolarHBondContact O-OG 3.38Å; T450-S453 WeakPolarHBondContact O-CB 3.44Å; T450-S453 PolarHBondContact O-N 2.88Å; F451-S453 VanDerWaalsContact C-N 3.3Å; F451-S453 PolarHBondContact O-N 3.02Å; S453-L455 VanDerWaalsContact C-N 3.3Å; S453-L455 PolarHBondContact O-N 3.18Å; S453-A456 WeakPolarHBondContact O-CB 3.42Å; S453-A456 PolarHBondContact O-N 3.19Å; S453-E457 PolarHBondContact O-N 3.06Å
454	L	91.4	Very high	87.3	Confident	49 Å²	49	60.7 Å²	60.7	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-40.2	179.3	-67.3	173	0	0	0	112.3	H269 V271 T450 F451 A456 E457 E458	H269-L454 HydrophobicContact CB-CD1 3.67Å; V271-L454 HydrophobicContact CG2-CB 4.04Å; V271-L454 HydrophobicContact CG2-CD1 4.15Å; T450-L454 HydrophobicContact CG2-CD1 4.07Å; T450-L454 HydrophobicContact CG2-CG 4.41Å; T450-L454 WeakPolarHBondContact O-CG 3.37Å; T450-L454 PolarHBondContact O-N 2.98Å; F451-L454 HydrophobicContact CD1-CD1 4.43Å; F451-L454 PolarHBondContact O-N 3.48Å; L454-A456 VanDerWaalsContact C-N 3.27Å; L454-A456 PolarHBondContact O-N 3.02Å; L454-E457 PolarHBondContact O-N 2.72Å; L454-E458 PolarHBondContact O-N 3.44Å
455	L	87.9	Confident	86.6	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-71.7	-19.7	176.5	-73.2	166.4	0	0	0	113.8	A18 H19 C22 F23 V271 F274 R275 F451 S453	A18-L455 HydrophobicContact CB-CD2 3.93Å; H19-L455 HydrophobicContact CB-CB 4.31Å; C22-L455 HydrophobicContact CB-CD1 4.4Å; F23-L455 HydrophobicContact CE2-CD1 3.8Å; V271-L455 HydrophobicContact CG1-CD2 3.37Å; V271-L455 HydrophobicContact CG1-CG 3.97Å; F274-L455 HydrophobicContact CD1-CD1 4.14Å; F274-L455 HydrophobicContact CE1-CD1 4.07Å; R275-L455 HydrophobicContact CG-CD2 3.74Å; F451-L455 VanDerWaalsContact O-CB 3.27Å; F451-L455 WeakPolarHBondContact O-CB 3.04Å; F451-L455 WeakPolarHBondContact O-CD1 3.42Å; F451-L455 VanDerWaalsContact O-CG 3.24Å; F451-L455 WeakPolarHBondContact O-CG 3.46Å; F451-L455 PolarHBondContact O-N 3.48Å; S453-L455 VanDerWaalsContact C-N 3.3Å; S453-L455 PolarHBondContact O-N 3.18Å
456	A	82.4	Confident	85.8	Confident	44 Å²	44	69.4 Å²	69.4	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-82.6	-30.8	174	0	0	0	0	0	111.8	R452 S453 L454	R452-A456 WeakPolarHBondContact O-CB 3.32Å; R452-A456 PolarHBondContact O-N 3.49Å; S453-A456 WeakPolarHBondContact O-CB 3.42Å; S453-A456 PolarHBondContact O-N 3.19Å; L454-A456 VanDerWaalsContact C-N 3.27Å; L454-A456 PolarHBondContact O-N 3.02Å
457	E	79.3	Confident	85	Confident	144 Å²	144	65.8 Å²	65.8	67%	0.673	32%	0.317	S	S	*	.	H	α-helix	trans	-76.3	-25.4	176.3	-69.7	173.1	-167.2	0	0	113.2	S453 L454 R459	S453-E457 PolarHBondContact O-N 3.06Å; L454-E457 PolarHBondContact O-N 2.72Å; E457-R459 PolarHBondContact O-N 3.48Å; E457-R459 VanDerWaalsContact O-N 3.12Å
458	E	63.7	Low	84	Confident	112 Å²	112	69.3 Å²	69.3	52%	0.523	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	13.2	173.8	-77.1	-174.9	173.6	0	0	114.4	R275 L454	R275-E458 IonicContact NH1-OE2 3.97Å; L454-E458 PolarHBondContact O-N 3.44Å
459	R	44.6	Very low	83	Confident	228 Å²	228	75.5 Å²	75.5	86%	0.86	36%	0.364	S	S	*	.			trans	-82.2	0	171.2	-76.7	-176.1	176.3	-179	-0.2	111	S17 E457	S17-R459 PolarHBondContact OG-NH2 3.38Å; E457-R459 PolarHBondContact O-N 3.48Å; E457-R459 VanDerWaalsContact O-N 3.12Å

Retrieved 459 of 459 residues in 481.6 ms (Link to these results)

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