A0A087Y2E8_POEFO Loading...

Endoplasmic reticulum oxidoreductase 1 beta

AlphaFold DB , UniProt , Accession A0A087Y2E8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 488 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	55.3	Low	235 Å²	235	144.2 Å²	144.2	100%	1.158	71%	0.709	S	S	*	*				0	74.3	0	-76.5	178.2	-100.7	0	0	109	R3	M1-R3 PolarHBondContact O-N 2.98Å
2	W	50.2	Low	55.6	Low	245 Å²	245	141.9 Å²	141.9	93%	0.928	70%	0.701	S	S	*	*				62	39.1	105.2	-90.6	39.7	0	0	0	115.8
3	R	50	Low	55.9	Low	222 Å²	222	139.3 Å²	139.3	84%	0.838	69%	0.691	S	S	*	*	S	Bend	trans	-130.9	-7.4	158.8	-91	-170.5	171	-170.5	-2.5	116	M1	M1-R3 PolarHBondContact O-N 2.98Å
4	I	54.4	Low	56	Low	152 Å²	152	133.7 Å²	133.7	78%	0.779	67%	0.672	S	S	*	*	S	Bend	trans	-102.2	-15	-176.5	-59.6	176.7	0	0	0	112.7
5	T	58.8	Low	56.4	Low	95 Å²	95	131.8 Å²	131.8	58%	0.583	66%	0.663	S	S	*	*	H	α-helix	trans	-85.9	-14.3	-179.3	44.2	0	0	0	0	114.6
6	A	56.9	Low	56.4	Low	64 Å²	64	128.5 Å²	128.5	53%	0.529	66%	0.655	S	S	.	*	H	α-helix	trans	-87.3	-34	-179.5	0	0	0	0	0	113.5
7	Q	55.9	Low	56.1	Low	151 Å²	151	129.8 Å²	129.8	71%	0.706	66%	0.655	S	S	*	*	H	α-helix	trans	-74.6	-28.6	179	-85	175.4	-35.8	0	0	113.1
8	A	56.8	Low	55.8	Low	57 Å²	57	129.3 Å²	129.3	47%	0.471	65%	0.654	S	S	.	*	H	α-helix	trans	-73.7	-34.6	176.6	0	0	0	0	0	113.3	L12	A8-L12 PolarHBondContact O-N 3.18Å
9	C	58.1	Low	55.6	Low	76 Å²	76	132.2 Å²	132.2	51%	0.514	66%	0.656	S	S	.	*	H	α-helix	trans	-69	-34.2	176.5	-84.6	0	0	0	0	113.1	L13	C9-L13 PolarHBondContact O-N 3.5Å; C9-L13 VanDerWaalsContact O-N 3.15Å
10	W	57.3	Low	55.4	Low	200 Å²	200	132.1 Å²	132.1	76%	0.758	66%	0.658	S	S	*	*	H	α-helix	trans	-70	-33.5	179.5	-92.5	76.5	0	0	0	113.5	S14	W10-S14 PolarHBondContact O-N 3.39Å; W10-S14 PolarHBondContact O-OG 3.47Å
11	V	64.7	Low	55	Low	89 Å²	89	131.6 Å²	131.6	54%	0.539	66%	0.657	S	S	.	*	H	α-helix	trans	-71.6	-39.8	176.9	176.5	0	0	0	0	111.3	S14 I15	V11-S14 PolarHBondContact O-N 2.96Å; V11-I15 HydrophobicContact CG1-CD1 4.07Å; V11-I15 WeakPolarHBondContact O-CG1 3.39Å; V11-I15 PolarHBondContact O-N 3.33Å
12	L	58.9	Low	55.2	Low	117 Å²	117	125.2 Å²	125.2	61%	0.613	63%	0.631	S	S	*	*	H	α-helix	trans	-70.5	-34.7	178.5	-76	165	0	0	0	113.3	A8 C16	A8-L12 PolarHBondContact O-N 3.18Å; L12-C16 PolarHBondContact O-N 2.85Å; L12-C16 PolarHBondContact O-SG 3.07Å
13	L	59.5	Low	54.8	Low	108 Å²	108	120.9 Å²	120.9	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-69	-35.2	174.3	-88.8	156.1	0	0	0	112.6	C9 C16 F17	C9-L13 PolarHBondContact O-N 3.5Å; C9-L13 VanDerWaalsContact O-N 3.15Å; L13-C16 PolarHBondContact O-N 3.16Å; L13-F17 PolarHBondContact O-N 3.39Å
14	S	57.2	Low	54.5	Low	61 Å²	61	112.4 Å²	112.4	43%	0.427	60%	0.601	S	S	.	*	H	α-helix	trans	-70.9	-34	179.3	-58.2	0	0	0	0	112.5	W10 V11 L18	W10-S14 PolarHBondContact O-N 3.39Å; W10-S14 PolarHBondContact O-OG 3.47Å; V11-S14 PolarHBondContact O-N 2.96Å; S14-L18 PolarHBondContact O-N 3Å
15	I	62.1	Low	53.7	Low	105 Å²	105	116 Å²	116	54%	0.538	61%	0.605	S	S	.	*	H	α-helix	trans	-72.6	-34.5	177	-65.7	167.3	0	0	0	111.6	V11 R19	V11-I15 HydrophobicContact CG1-CD1 4.07Å; V11-I15 WeakPolarHBondContact O-CG1 3.39Å; V11-I15 PolarHBondContact O-N 3.33Å; I15-R19 PolarHBondContact O-N 3.14Å
16	C	56	Low	52.6	Low	79 Å²	79	120.7 Å²	120.7	53%	0.534	62%	0.618	S	S	.	*	H	α-helix	trans	-70.8	-35.1	175.9	-69.9	0	0	0	0	112.8	L12 L13 N20	L12-C16 PolarHBondContact O-N 2.85Å; L12-C16 PolarHBondContact O-SG 3.07Å; L13-C16 PolarHBondContact O-N 3.16Å; C16-N20 PolarHBondContact O-N 3.06Å
17	F	52.8	Low	51.6	Low	150 Å²	150	126.3 Å²	126.3	66%	0.658	63%	0.633	S	S	*	*	H	α-helix	trans	-70.4	-37.3	177.7	-106.4	-88.1	0	0	0	113.1	L13 L21	L13-F17 PolarHBondContact O-N 3.39Å; F17-L21 PolarHBondContact O-N 3.36Å
18	L	50.7	Low	50.8	Low	122 Å²	122	126.7 Å²	126.7	64%	0.639	63%	0.634	S	S	*	*	H	α-helix	trans	-70.7	-29.2	177	-81.7	158	0	0	0	113.2	S14 V22	S14-L18 PolarHBondContact O-N 3Å; L18-V22 WeakPolarHBondContact O-CG2 2.93Å
19	R	50.4	Low	49.5	Very low	184 Å²	184	131.5 Å²	131.5	69%	0.694	65%	0.652	S	S	*	*	H	α-helix	trans	-74.6	-31.1	178.9	-167.4	175.9	163.6	-172	-5.8	113.3	I15	I15-R19 PolarHBondContact O-N 3.14Å
20	N	52	Low	48.1	Very low	129 Å²	129	133.8 Å²	133.8	69%	0.69	67%	0.669	S	S	*	*	H	α-helix	trans	-80.4	-25.6	177.2	-77.2	-25.5	0	0	0	113.5	C16 G24	C16-N20 PolarHBondContact O-N 3.06Å; N20-G24 PolarHBondContact O-N 2.91Å
21	L	47.6	Very low	46.6	Very low	123 Å²	123	128.1 Å²	128.1	64%	0.644	67%	0.673	S	S	*	*	H	α-helix	trans	-73	-29.5	174.7	-93.3	152.6	0	0	0	113.1	F17	F17-L21 PolarHBondContact O-N 3.36Å
22	V	48.3	Very low	44.8	Very low	100 Å²	100	133.8 Å²	133.8	61%	0.606	68%	0.684	S	S	*	*	H	α-helix	trans	-81.4	-30.2	179.4	177.3	0	0	0	0	112.5	L18	L18-V22 WeakPolarHBondContact O-CG2 2.93Å
23	F	42.4	Very low	43.3	Very low	155 Å²	155	134.4 Å²	134.4	68%	0.68	70%	0.695	S	S	*	*	H	α-helix	trans	-77.8	-28	175.5	-101.5	-87.2	0	0	0	113.6
24	G	43.4	Very low	41.6	Very low	44 Å²	44	136.3 Å²	136.3	45%	0.454	70%	0.701	S	S	.	*	H	α-helix	trans	-75	-18.4	177.7	0	0	0	0	0	115	N20	N20-G24 PolarHBondContact O-N 2.91Å
25	W	38.2	Very low	40.1	Very low	227 Å²	227	140.4 Å²	140.4	86%	0.86	72%	0.724	S	S	*	*	S	Bend	trans	-89.5	-16.7	-177.9	-129	62.8	0	0	0	113.8
26	F	34.6	Very low	38.3	Very low	194 Å²	194	143 Å²	143	85%	0.851	73%	0.734	S	S	*	*	S	Bend	trans	-92.5	-3	-178.9	-113.1	-84.5	0	0	0	114.6
27	Q	37.6	Very low	36.8	Very low	181 Å²	181	148.4 Å²	148.4	85%	0.846	75%	0.751	S	S	*	*	S	Bend	trans	-105.5	7.2	-177.6	-125.4	176.8	-9.9	0	0	114.2
28	Q	37.8	Very low	35.5	Very low	159 Å²	159	148 Å²	148	74%	0.743	76%	0.755	S	S	*	*	S	Bend	trans	-141.4	62.3	-170.5	-149	167.2	13.4	0	0	112.7
29	N	29.3	Very low	34.2	Very low	158 Å²	158	151.5 Å²	151.5	85%	0.845	77%	0.769	S	S	*	*	S	Bend	trans	166.5	101.8	156.6	-92.1	-20.7	0	0	0	106.8
30	S	28.3	Very low	32.9	Very low	124 Å²	124	151.5 Å²	151.5	87%	0.867	78%	0.776	S	S	*	*				173.8	112.8	72.1	34.7	0	0	0	0	110.1
31	G	26.1	Very low	31.8	Very low	81 Å²	81	154.7 Å²	154.7	84%	0.835	79%	0.787	S	S	*	*			trans	-120	154	152.1	0	0	0	0	0	106.5
32	R	28.6	Very low	30.6	Very low	208 Å²	208	153.4 Å²	153.4	79%	0.785	79%	0.789	S	S	*	*			cis	-156.9	177.1	9.8	-132.2	176	-172.1	179.3	0.7	105.2
33	P	25.4	Very low	29.9	Very low	130 Å²	130	154.4 Å²	154.4	84%	0.844	80%	0.8	S	S	*	*				-129.8	142	115.2	11.1	8.4	0	0	0	113.3
34	Q	25.6	Very low	28.9	Very low	148 Å²	148	155.1 Å²	155.1	69%	0.692	81%	0.805	S	S	*	*			trans	-74.1	143.1	174.4	-70.2	165.9	-49.3	0	0	111.2
35	T	24.8	Very low	28.4	Very low	147 Å²	147	158.2 Å²	158.2	90%	0.902	82%	0.82	S	S	*	*			trans	-120.8	123.7	142.6	11.7	0	0	0	0	107.3
36	Q	25.1	Very low	27.9	Very low	161 Å²	161	155 Å²	155	75%	0.752	82%	0.82	S	S	*	*			trans	-70.3	139.8	-179.2	-73.2	166.9	-29.9	0	0	110.4
37	H	24.8	Very low	28.1	Very low	192 Å²	192	151 Å²	151	89%	0.889	82%	0.816	S	S	*	*				-152.7	129.2	125.3	-105.2	-65.9	0	0	0	110.4
38	N	23.7	Very low	27.7	Very low	140 Å²	140	145.8 Å²	145.8	75%	0.749	80%	0.803	S	S	*	*			trans	-51.8	131.2	-170	-68.4	-29.8	0	0	0	114.9	H40	N38-H40 PolarHBondContact O-N 3.38Å
39	E	23.4	Very low	27.7	Very low	196 Å²	196	142.3 Å²	142.3	92%	0.916	79%	0.79	S	S	*	*			trans	-65.1	118.6	152.9	-75.1	174.1	151.8	0	0	108.8
40	H	25	Very low	28	Very low	184 Å²	184	141.8 Å²	141.8	85%	0.852	78%	0.783	S	S	*	*			trans	-93.1	114.9	152.6	-112.4	32.1	0	0	0	107.2	N38 S42	N38-H40 PolarHBondContact O-N 3.38Å; H40-S42 PolarHBondContact O-N 3.46Å
41	Q	27.5	Very low	28.7	Very low	196 Å²	196	136.6 Å²	136.6	92%	0.916	75%	0.746	S	S	*	*			trans	-56	110.8	160.4	-107.3	170.3	-19	0	0	108.8
42	S	23.3	Very low	29.3	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	71%	0.707	S	S	*	*			trans	-113	104.3	152	54	0	0	0	0	107.3	H40 E44	H40-S42 PolarHBondContact O-N 3.46Å; S42-E44 PolarHBondContact O-N 3.24Å; S42-E44 VanDerWaalsContact O-N 3.13Å
43	S	32.1	Very low	29.9	Very low	121 Å²	121	123.4 Å²	123.4	85%	0.846	67%	0.672	S	S	*	*			trans	-61.6	102.7	159.9	54.1	0	0	0	0	108.4
44	E	23.2	Very low	30.3	Very low	169 Å²	169	120.9 Å²	120.9	79%	0.79	66%	0.657	S	S	*	*			trans	-120.4	126.3	160.3	-83.6	-175.8	162.2	0	0	108.8	S42 D46	S42-E44 PolarHBondContact O-N 3.24Å; S42-E44 VanDerWaalsContact O-N 3.13Å; E44-D46 PolarHBondContact O-N 3.3Å
45	S	32.1	Very low	30.9	Very low	109 Å²	109	118.5 Å²	118.5	76%	0.762	65%	0.645	S	S	*	*			trans	-65.5	98.7	176.8	48.7	0	0	0	0	110.8	S47	S45-S47 VanDerWaalsContact C-N 3.28Å; S45-S47 PolarHBondContact O-N 2.94Å; S45-S47 VanDerWaalsContact O-N 3.11Å
46	D	27.1	Very low	32	Very low	160 Å²	160	111.7 Å²	111.7	86%	0.856	60%	0.604	S	S	*	*			trans	-85.9	73.2	169.8	-107.4	-10.5	0	0	0	110.7	E44	E44-D46 PolarHBondContact O-N 3.3Å
47	S	39.1	Very low	32.6	Very low	111 Å²	111	108.3 Å²	108.3	78%	0.776	59%	0.594	S	S	*	*			trans	-100.2	85.2	154.8	62.5	0	0	0	0	107.9	S45	S45-S47 VanDerWaalsContact C-N 3.28Å; S45-S47 PolarHBondContact O-N 2.94Å; S45-S47 VanDerWaalsContact O-N 3.11Å
48	A	30.1	Very low	33.7	Very low	70 Å²	70	101 Å²	101	58%	0.579	57%	0.57	S	S	*	*			trans	-145.5	92.7	-179.2	0	0	0	0	0	112.6	Q50	A48-Q50 PolarHBondContact O-N 3.25Å
49	D	36.8	Very low	34.6	Very low	87 Å²	87	98.5 Å²	98.5	47%	0.465	56%	0.56	S	S	.	*			trans	43.4	67.5	136.8	-143.7	22	0	0	0	116.5	S51 R305 R488	D49-S51 PolarHBondContact O-N 3.48Å; D49-R305 IonicContact OD2-NH2 3.53Å; D49-R488 PolarHBondContact O-NH2 3.24Å
50	Q	36.8	Very low	35.9	Very low	147 Å²	147	89.3 Å²	89.3	69%	0.687	52%	0.517	S	S	*	.			trans	-71.4	96.7	171.2	-76.8	177.3	-8.2	0	0	110.5	A48 C52 T310	A48-Q50 PolarHBondContact O-N 3.25Å; Q50-C52 PolarHBondContact O-N 2.87Å; Q50-T310 PolarHBondContact O-OG1 3.42Å
51	S	41.4	Very low	36.9	Very low	14 Å²	14	86.8 Å²	86.8	10%	0.098	51%	0.51	C	S	.	.			trans	-58.3	129.5	178.6	178.6	0	0	0	0	112.2	D49 L53 C54	D49-S51 PolarHBondContact O-N 3.48Å; S51-L53 PolarHBondContact O-N 2.91Å; S51-C54 WeakPolarHBondContact O-CB 3.25Å; S51-C54 PolarHBondContact O-N 3.06Å
52	C	39.8	Very low	38	Very low	1 Å²	1	81.2 Å²	81.2	1%	0.007	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-46.9	-29.4	174.4	49.7	0	0	0	0	115.5	Q50 C54 H55 F308 D309 T310	Q50-C52 PolarHBondContact O-N 2.87Å; C52-C54 VanDerWaalsContact C-N 3.33Å; C52-H55 PolarHBondContact O-N 2.9Å; C52-F308 WeakPolarHBondContact CB-O 3.36Å; C52-F308 PolarHBondContact SG-O 2.92Å; C52-D309 PolarHBondContact N-OD2 3.37Å; C52-T310 WeakPolarHBondContact CA-OG1 3.49Å; C52-T310 HydrophobicContact CB-CG2 3.88Å; C52-T310 PolarHBondContact N-OG1 3.1Å
53	L	41.4	Very low	39.5	Very low	12 Å²	12	76.7 Å²	76.7	6%	0.063	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-78.5	-19.2	-175.4	-66.9	147.3	0	0	0	112.4	S51 H55 L56 F304 L321 R481 L484	S51-L53 PolarHBondContact O-N 2.91Å; L53-H55 VanDerWaalsContact C-N 3.27Å; L53-L56 HydrophobicContact CD2-CD1 3.8Å; L53-L56 PolarHBondContact O-N 3.36Å; L53-F304 HydrophobicContact CD1-CE1 3.94Å; L53-F304 HydrophobicContact CD1-CZ 4.36Å; L53-L321 HydrophobicContact CD2-CD1 4.46Å; L53-R481 HydrophobicContact CB-CG 3.8Å; L53-R481 HydrophobicContact CD1-CB 4.48Å; L53-R481 HydrophobicContact CD1-CG 3.59Å; L53-R481 HydrophobicContact CD2-CG 3.64Å; L53-R481 VanDerWaalsContact CD2-NE 3.27Å; L53-R481 HydrophobicContact CG-CG 3.83Å; L53-L484 HydrophobicContact CD1-CD1 3.37Å
54	C	32.3	Very low	40.6	Very low	77 Å²	77	78.1 Å²	78.1	52%	0.52	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-74.6	-19.3	171.6	-64.2	0	0	0	0	112.3	S51 C52	S51-C54 WeakPolarHBondContact O-CB 3.25Å; S51-C54 PolarHBondContact O-N 3.06Å; C52-C54 VanDerWaalsContact C-N 3.33Å
55	H	38.2	Very low	42.3	Very low	97 Å²	97	70.4 Å²	70.4	45%	0.449	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-92.4	0.3	173.9	-70	-69.3	0	0	0	113.6	C52 L53 T57 T318	C52-H55 PolarHBondContact O-N 2.9Å; L53-H55 VanDerWaalsContact C-N 3.27Å; H55-T57 PolarHBondContact O-N 2.66Å; H55-T318 HydrophobicContact CB-CG2 4.26Å
56	L	48.4	Very low	44.3	Very low	5 Å²	5	68.2 Å²	68.2	3%	0.026	39%	0.391	C	S	.	.			trans	-86.6	23.4	176.7	-101.8	154.2	0	0	0	113.2	L53 V67 T318 L321 Y325	L53-L56 HydrophobicContact CD2-CD1 3.8Å; L53-L56 PolarHBondContact O-N 3.36Å; L56-V67 WeakPolarHBondContact O-CB 3.36Å; L56-V67 WeakPolarHBondContact O-CG2 3.28Å; L56-T318 HydrophobicContact CG-CG2 4.3Å; L56-L321 HydrophobicContact CD1-CB 3.79Å; L56-L321 HydrophobicContact CD1-CD1 3.39Å; L56-L321 HydrophobicContact CD1-CG 4.2Å; L56-L321 HydrophobicContact CD2-CB 4.01Å; L56-L321 HydrophobicContact CG-CB 4.39Å; L56-Y325 HydrophobicContact CD2-CD2 4.23Å; L56-Y325 HydrophobicContact CD2-CE2 3.92Å
57	T	39	Very low	46.8	Very low	90 Å²	90	60.8 Å²	60.8	55%	0.552	35%	0.351	S	S	*	.			trans	-100.4	136.8	178.8	59.4	0	0	0	0	109.8	H55 E68	H55-T57 PolarHBondContact O-N 2.66Å; T57-E68 WeakPolarHBondContact CG2-OE1 2.65Å
58	G	46	Very low	49	Very low	38 Å²	38	59.2 Å²	59.2	39%	0.392	33%	0.331	S	S	.	.	S	Bend	trans	122.6	-176.8	173.1	0	0	0	0	0	115.2
59	V	43.5	Very low	51.7	Low	88 Å²	88	58.5 Å²	58.5	53%	0.533	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.2	-178	-175.3	0	0	0	0	109.7	D61 F64	V59-D61 PolarHBondContact O-N 2.74Å; V59-F64 HydrophobicContact CG1-CD1 4.45Å
60	L	51	Low	54.3	Low	3 Å²	3	54.3 Å²	54.3	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.4	168.4	-66.2	163.8	0	0	0	108.3	D62 C63 C65 I70 K322 L329	L60-D62 PolarHBondContact O-N 3.1Å; L60-C63 HydrophobicContact CB-CB 3.99Å; L60-C63 WeakPolarHBondContact CB-O 3.26Å; L60-C63 HydrophobicContact CD1-CB 4.22Å; L60-C63 PolarHBondContact N-O 3.29Å; L60-C63 CarbonylContact O-C 3.05Å; L60-C63 PolarHBondContact O-N 3Å; L60-C65 PolarHBondContact N-O 3.27Å; L60-I70 HydrophobicContact CD1-CD1 4.15Å; L60-K322 HydrophobicContact CD2-CB 4.09Å; L60-K322 HydrophobicContact CD2-CG 4.17Å; L60-L329 HydrophobicContact CD1-CD1 3.66Å
61	D	46.5	Very low	56.9	Low	131 Å²	131	47.8 Å²	47.8	70%	0.701	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.2	-168.5	-57.6	-61.1	0	0	0	114.9	V59 K322	V59-D61 PolarHBondContact O-N 2.74Å; D61-K322 IonicContact OD2-NZ 2.7Å
62	D	50.8	Low	59.3	Low	78 Å²	78	51.3 Å²	51.3	42%	0.417	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	4.6	175.2	-59.6	-46.6	0	0	0	114.2	L60 R269	L60-D62 PolarHBondContact O-N 3.1Å; D62-R269 IonicContact OD2-CZ 3.88Å; D62-R269 IonicContact OD2-NH1 2.77Å; D62-R269 PolarHBondContact OD2-NH1 2.84Å
63	C	54.2	Low	61.9	Low	3 Å²	3	52.2 Å²	52.2	2%	0.02	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	118.7	177.1	-61.4	0	0	0	0	109.1	L60 C65 L329	L60-C63 HydrophobicContact CB-CB 3.99Å; L60-C63 WeakPolarHBondContact CB-O 3.26Å; L60-C63 HydrophobicContact CD1-CB 4.22Å; L60-C63 PolarHBondContact N-O 3.29Å; L60-C63 CarbonylContact O-C 3.05Å; L60-C63 PolarHBondContact O-N 3Å; C63-C65 PolarHBondContact O-N 3.25Å; C63-L329 HydrophobicContact CB-CD1 3.74Å
64	F	54.2	Low	64.5	Low	150 Å²	150	51.7 Å²	51.7	66%	0.658	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	56.3	-176.1	-59.8	-83	0	0	0	112.9	V59 H377	V59-F64 HydrophobicContact CG1-CD1 4.45Å; F64-H377 HydrophobicContact CB-CB 4.11Å
65	C	60.1	Low	67.6	Low	7 Å²	7	48.7 Å²	48.7	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.7	176.3	-60.1	0	0	0	0	109.8	L60 C63 I70 L329	L60-C65 PolarHBondContact N-O 3.27Å; C63-C65 PolarHBondContact O-N 3.25Å; C65-I70 HydrophobicContact CB-CD1 4.07Å; C65-I70 HydrophobicContact CB-CG1 4.29Å; C65-L329 HydrophobicContact CB-CD1 4.43Å
66	D	73.2	Confident	70.3	Confident	64 Å²	64	51.1 Å²	51.1	34%	0.342	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.6	168.2	60.3	-57.1	0	0	0	110.1	E68 S69 I70	D66-E68 PolarHBondContact O-N 2.93Å; D66-S69 VanDerWaalsContact CG-CB 3.48Å; D66-S69 PolarHBondContact O-N 2.94Å; D66-S69 WeakPolarHBondContact OD1-CB 2.98Å; D66-S69 PolarHBondContact OD1-OG 3.44Å; D66-S69 VanDerWaalsContact OD2-CB 3.23Å; D66-S69 WeakPolarHBondContact OD2-CB 3.48Å; D66-S69 PolarHBondContact OD2-N 2.97Å; D66-S69 PolarHBondContact OD2-OG 2.74Å; D66-I70 PolarHBondContact O-N 3.3Å
67	V	80.8	Confident	72.5	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-35.4	-179	172.6	0	0	0	0	110.9	L56 I70 D71 Y325	L56-V67 WeakPolarHBondContact O-CB 3.36Å; L56-V67 WeakPolarHBondContact O-CG2 3.28Å; V67-I70 PolarHBondContact O-N 2.86Å; V67-D71 VanDerWaalsContact O-CG 3.3Å; V67-D71 PolarHBondContact O-N 2.89Å; V67-Y325 HydrophobicContact CG1-CD1 4.44Å; V67-Y325 HydrophobicContact CG1-CD2 4.4Å; V67-Y325 HydrophobicContact CG1-CE1 3.82Å; V67-Y325 HydrophobicContact CG1-CE2 3.81Å; V67-Y325 VanDerWaalsContact CG1-CZ 3.47Å
68	E	84.6	Confident	75.3	Confident	78 Å²	78	51.6 Å²	51.6	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-45.4	-179.8	-64.9	78.5	-174.2	0	0	112.2	T57 D66 I70 D71 V72	T57-E68 WeakPolarHBondContact CG2-OE1 2.65Å; D66-E68 PolarHBondContact O-N 2.93Å; E68-I70 VanDerWaalsContact C-N 3.32Å; E68-I70 PolarHBondContact O-N 3.09Å; E68-D71 PolarHBondContact O-N 3.49Å; E68-V72 WeakPolarHBondContact O-CG2 3.25Å; E68-V72 PolarHBondContact O-N 2.86Å
69	S	86.7	Confident	77.8	Confident	54 Å²	54	51.2 Å²	51.2	38%	0.378	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-37.9	175.1	-69.9	0	0	0	0	112.5	D66 F73	D66-S69 VanDerWaalsContact CG-CB 3.48Å; D66-S69 PolarHBondContact O-N 2.94Å; D66-S69 WeakPolarHBondContact OD1-CB 2.98Å; D66-S69 PolarHBondContact OD1-OG 3.44Å; D66-S69 VanDerWaalsContact OD2-CB 3.23Å; D66-S69 WeakPolarHBondContact OD2-CB 3.48Å; D66-S69 PolarHBondContact OD2-N 2.97Å; D66-S69 PolarHBondContact OD2-OG 2.74Å; S69-F73 WeakPolarHBondContact O-CB 3.19Å; S69-F73 PolarHBondContact O-N 2.77Å
70	I	90.5	Very high	80.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-44.3	175.6	-58.3	169.9	0	0	0	110.2	L60 C65 D66 V67 E68 F73 N74 Y325 Y328 L329 F374 I474	L60-I70 HydrophobicContact CD1-CD1 4.15Å; C65-I70 HydrophobicContact CB-CD1 4.07Å; C65-I70 HydrophobicContact CB-CG1 4.29Å; D66-I70 PolarHBondContact O-N 3.3Å; V67-I70 PolarHBondContact O-N 2.86Å; E68-I70 VanDerWaalsContact C-N 3.32Å; E68-I70 PolarHBondContact O-N 3.09Å; I70-F73 PolarHBondContact O-N 3.38Å; I70-N74 VanDerWaalsContact O-CB 3.23Å; I70-N74 WeakPolarHBondContact O-CB 3.21Å; I70-N74 PolarHBondContact O-N 3.33Å; I70-Y325 HydrophobicContact CB-CD1 4.24Å; I70-Y325 HydrophobicContact CB-CE1 4.35Å; I70-Y325 HydrophobicContact CD1-CD1 4.05Å; I70-Y325 HydrophobicContact CG2-CD1 3.87Å; I70-Y325 HydrophobicContact CG2-CE1 4.1Å; I70-Y328 HydrophobicContact CG2-CD1 3.81Å; I70-Y328 HydrophobicContact CG2-CE1 3.65Å; I70-L329 HydrophobicContact CD1-CD1 3.95Å; I70-L329 HydrophobicContact CD1-CD2 4.02Å; I70-L329 HydrophobicContact CD1-CG 4.12Å; I70-L329 HydrophobicContact CG1-CD2 4.35Å; I70-F374 HydrophobicContact CG1-CZ 4.13Å; I70-I474 HydrophobicContact CG2-CD1 4.14Å
71	D	91.7	Very high	82.5	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.053	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-47	179.4	-72.8	-21.7	0	0	0	111.5	V67 E68 N75 Y325 I474 R481	V67-D71 VanDerWaalsContact O-CG 3.3Å; V67-D71 PolarHBondContact O-N 2.89Å; E68-D71 PolarHBondContact O-N 3.49Å; D71-N75 WeakPolarHBondContact O-CB 3.43Å; D71-N75 PolarHBondContact O-N 2.72Å; D71-N75 PolarHBondContact O-ND2 2.86Å; D71-Y325 VanDerWaalsContact OD1-CE1 3.28Å; D71-Y325 WeakPolarHBondContact OD1-CE1 3.44Å; D71-Y325 PolarHBondContact OD1-OH 3.41Å; D71-Y325 PolarHBondContact OD2-OH 3.48Å; D71-I474 VanDerWaalsContact OD1-CG2 3.31Å; D71-I474 WeakPolarHBondContact OD1-CG2 3.37Å; D71-R481 IonicContact OD2-CZ 3.74Å; D71-R481 IonicContact OD2-NH1 3.66Å; D71-R481 PolarHBondContact OD2-NH1 2.7Å; D71-R481 IonicContact OD2-NH2 2.91Å; D71-R481 PolarHBondContact OD2-NH2 2.88Å
72	V	92.6	Very high	84.9	Confident	88 Å²	88	47.5 Å²	47.5	53%	0.533	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-47.4	178.4	173.4	0	0	0	0	110.6	E68 F76	E68-V72 WeakPolarHBondContact O-CG2 3.25Å; E68-V72 PolarHBondContact O-N 2.86Å; V72-F76 HydrophobicContact CG1-CD2 4.09Å; V72-F76 WeakPolarHBondContact O-CB 3.39Å; V72-F76 WeakPolarHBondContact O-CD2 3.3Å; V72-F76 PolarHBondContact O-N 3.46Å
73	F	94	Very high	87.1	Confident	20 Å²	20	48.9 Å²	48.9	9%	0.088	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-51	178.9	175.7	-106.6	0	0	0	111.6	S69 I70 K77 I78 L332 E370 F374	S69-F73 WeakPolarHBondContact O-CB 3.19Å; S69-F73 PolarHBondContact O-N 2.77Å; I70-F73 PolarHBondContact O-N 3.38Å; F73-K77 HydrophobicContact CD2-CB 4.19Å; F73-K77 HydrophobicContact CD2-CG 4.24Å; F73-K77 HydrophobicContact CE2-CB 4.25Å; F73-K77 WeakPolarHBondContact O-CA 3.3Å; F73-K77 WeakPolarHBondContact O-CB 3.39Å; F73-K77 PolarHBondContact O-N 3.03Å; F73-I78 HydrophobicContact CD1-CG1 4.01Å; F73-I78 HydrophobicContact CE1-CD1 3.93Å; F73-I78 HydrophobicContact CE1-CG1 3.4Å; F73-I78 HydrophobicContact CE2-CD1 4.37Å; F73-I78 HydrophobicContact CE2-CG1 4.29Å; F73-I78 HydrophobicContact CZ-CD1 3.61Å; F73-I78 HydrophobicContact CZ-CG1 3.56Å; F73-I78 PolarHBondContact O-N 3.24Å; F73-L332 HydrophobicContact CE1-CD1 4.06Å; F73-L332 HydrophobicContact CE1-CD2 4.25Å; F73-E370 WeakPolarHBondContact CE2-O 3.48Å; F73-E370 WeakPolarHBondContact CZ-O 3.11Å; F73-F374 HydrophobicContact CB-CD2 3.95Å; F73-F374 HydrophobicContact CB-CE2 3.94Å; F73-F374 HydrophobicContact CD1-CB 4.49Å; F73-F374 AromaticContact CD1-CD2 3.62Å; F73-F374 HydrophobicContact CD1-CD2 3.62Å; F73-F374 HydrophobicContact CD1-CE2 4.05Å; F73-F374 HydrophobicContact CD1-CG 4.1Å; F73-F374 HydrophobicContact CD2-CB 4.42Å; F73-F374 AromaticContact CD2-CD2 3.79Å; F73-F374 HydrophobicContact CD2-CD2 3.79Å; F73-F374 HydrophobicContact CD2-CG 4.5Å; F73-F374 HydrophobicContact CE1-CB 4.03Å; F73-F374 HydrophobicContact CE1-CD2 4.02Å; F73-F374 HydrophobicContact CE1-CG 4.06Å; F73-F374 HydrophobicContact CE2-CB 3.97Å; F73-F374 HydrophobicContact CE2-CD2 4.19Å; F73-F374 HydrophobicContact CE2-CG 4.46Å; F73-F374 AromaticContact CG-CD2 3.49Å; F73-F374 HydrophobicContact CG-CD2 3.49Å; F73-F374 VanDerWaalsContact CG-CD2 3.49Å; F73-F374 AromaticContact CG-CE2 3.95Å; F73-F374 HydrophobicContact CG-CE2 3.95Å; F73-F374 HydrophobicContact CG-CG 4.32Å; F73-F374 HydrophobicContact CZ-CB 3.75Å; F73-F374 HydrophobicContact CZ-CD2 4.29Å; F73-F374 HydrophobicContact CZ-CG 4.25Å
74	N	96.5	Very high	89.1	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-62.1	-55.3	-179.5	178.7	69.4	0	0	0	111.5	I70 F76 I78 Y79 Y328 S471 I474	I70-N74 VanDerWaalsContact O-CB 3.23Å; I70-N74 WeakPolarHBondContact O-CB 3.21Å; I70-N74 PolarHBondContact O-N 3.33Å; N74-F76 VanDerWaalsContact C-N 3.32Å; N74-F76 PolarHBondContact O-N 3.43Å; N74-I78 PolarHBondContact O-N 2.92Å; N74-Y79 VanDerWaalsContact O-CB 3.28Å; N74-Y79 WeakPolarHBondContact O-CB 3.31Å; N74-Y79 PolarHBondContact O-N 3.26Å; N74-Y328 HydrophobicContact CB-CE2 4.49Å; N74-Y328 WeakPolarHBondContact OD1-CE2 3.25Å; N74-Y328 PolarHBondContact OD1-OH 3.45Å; N74-S471 PolarHBondContact ND2-O 3.26Å; N74-S471 VanDerWaalsContact OD1-CA 3.32Å; N74-S471 WeakPolarHBondContact OD1-CA 3.3Å; N74-S471 VanDerWaalsContact OD1-CB 3.24Å; N74-S471 WeakPolarHBondContact OD1-CB 3.03Å; N74-S471 PolarHBondContact OD1-OG 3.2Å; N74-I474 HydrophobicContact CB-CG2 4.05Å; N74-I474 WeakPolarHBondContact ND2-CG2 3.48Å
75	N	96.4	Very high	91.1	Very high	14 Å²	14	46.9 Å²	46.9	8%	0.075	23%	0.229	C	C	.	.	I	π-helix	trans	-70.1	-30	-166.8	-62.8	-16.6	0	0	0	112.6	D71 Y475	D71-N75 WeakPolarHBondContact O-CB 3.43Å; D71-N75 PolarHBondContact O-N 2.72Å; D71-N75 PolarHBondContact O-ND2 2.86Å; N75-Y475 HydrophobicContact CB-CD2 4.34Å; N75-Y475 VanDerWaalsContact OD1-CA 3.29Å; N75-Y475 WeakPolarHBondContact OD1-CA 3.22Å; N75-Y475 PolarHBondContact OD1-N 3.42Å
76	F	95.5	Very high	92.7	Very high	149 Å²	149	47.3 Å²	47.3	65%	0.654	23%	0.234	S	C	*	.	I	π-helix	trans	-103	-30.6	-177.3	-64.3	-75.2	0	0	0	114.4	V72 N74	V72-F76 HydrophobicContact CG1-CD2 4.09Å; V72-F76 WeakPolarHBondContact O-CB 3.39Å; V72-F76 WeakPolarHBondContact O-CD2 3.3Å; V72-F76 PolarHBondContact O-N 3.46Å; N74-F76 VanDerWaalsContact C-N 3.32Å; N74-F76 PolarHBondContact O-N 3.43Å
77	K	95.3	Very high	93.6	Very high	105 Å²	105	48.8 Å²	48.8	46%	0.457	24%	0.238	S	C	.	.	I	π-helix	trans	-103	-45.1	-175.8	-56.4	-67.1	-172.7	168.7	0	113	F73 R81	F73-K77 HydrophobicContact CD2-CB 4.19Å; F73-K77 HydrophobicContact CD2-CG 4.24Å; F73-K77 HydrophobicContact CE2-CB 4.25Å; F73-K77 WeakPolarHBondContact O-CA 3.3Å; F73-K77 WeakPolarHBondContact O-CB 3.39Å; F73-K77 PolarHBondContact O-N 3.03Å; K77-R81 WeakPolarHBondContact O-CD 3.13Å
78	I	97	Very high	94	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-92.5	-53.6	-171.2	-61.5	-57.7	0	0	0	112.2	F73 N74 R81 I82 E370 I371 F467	F73-I78 HydrophobicContact CD1-CG1 4.01Å; F73-I78 HydrophobicContact CE1-CD1 3.93Å; F73-I78 HydrophobicContact CE1-CG1 3.4Å; F73-I78 HydrophobicContact CE2-CD1 4.37Å; F73-I78 HydrophobicContact CE2-CG1 4.29Å; F73-I78 HydrophobicContact CZ-CD1 3.61Å; F73-I78 HydrophobicContact CZ-CG1 3.56Å; F73-I78 PolarHBondContact O-N 3.24Å; N74-I78 PolarHBondContact O-N 2.92Å; I78-R81 PolarHBondContact O-N 3.36Å; I78-I82 HydrophobicContact CG2-CB 4.45Å; I78-I82 HydrophobicContact CG2-CG2 4.29Å; I78-I82 PolarHBondContact O-N 2.82Å; I78-E370 HydrophobicContact CD1-CB 3.89Å; I78-I371 HydrophobicContact CD1-CG1 3.78Å; I78-F467 HydrophobicContact CG2-CE1 3.7Å; I78-F467 HydrophobicContact CG2-CZ 4.1Å
79	Y	97.8	Very high	93.9	Very high	29 Å²	29	48.5 Å²	48.5	11%	0.114	24%	0.236	C	C	.	.	H	α-helix	trans	-52.8	-47.8	-171.1	176.1	-104.5	0	0	0	113.7	N74 R81 I82 K83 S471 T472 Y475	N74-Y79 VanDerWaalsContact O-CB 3.28Å; N74-Y79 WeakPolarHBondContact O-CB 3.31Å; N74-Y79 PolarHBondContact O-N 3.26Å; Y79-R81 VanDerWaalsContact C-N 3.33Å; Y79-R81 PolarHBondContact O-N 3.39Å; Y79-I82 WeakPolarHBondContact O-CG2 3.47Å; Y79-K83 VanDerWaalsContact O-CB 3.28Å; Y79-K83 WeakPolarHBondContact O-CB 3.23Å; Y79-K83 PolarHBondContact O-N 2.97Å; Y79-S471 WeakPolarHBondContact CA-OG 3.27Å; Y79-T472 HydrophobicContact CE2-CG2 4.26Å; Y79-Y475 HydrophobicContact CD1-CD1 4.26Å; Y79-Y475 AromaticContact CD1-CD2 3.7Å; Y79-Y475 HydrophobicContact CD1-CD2 3.7Å; Y79-Y475 HydrophobicContact CD1-CE2 4.1Å; Y79-Y475 AromaticContact CD1-CG 3.79Å; Y79-Y475 HydrophobicContact CD1-CG 3.79Å; Y79-Y475 HydrophobicContact CD2-CG 4.26Å; Y79-Y475 AromaticContact CE1-CD1 3.6Å; Y79-Y475 HydrophobicContact CE1-CD1 3.6Å; Y79-Y475 AromaticContact CE1-CD2 3.8Å; Y79-Y475 HydrophobicContact CE1-CD2 3.8Å; Y79-Y475 AromaticContact CE1-CE1 3.74Å; Y79-Y475 HydrophobicContact CE1-CE1 3.74Å; Y79-Y475 AromaticContact CE1-CE2 3.96Å; Y79-Y475 HydrophobicContact CE1-CE2 3.96Å; Y79-Y475 AromaticContact CE1-CG 3.62Å; Y79-Y475 HydrophobicContact CE1-CG 3.62Å; Y79-Y475 AromaticContact CE1-CZ 3.93Å; Y79-Y475 HydrophobicContact CE2-CD1 4.1Å; Y79-Y475 HydrophobicContact CE2-CG 4.12Å; Y79-Y475 HydrophobicContact CG-CD2 4.26Å; Y79-Y475 HydrophobicContact CG-CG 4.11Å; Y79-Y475 AromaticContact CZ-CD1 3.51Å; Y79-Y475 AromaticContact CZ-CE1 3.92Å; Y79-Y475 AromaticContact CZ-CG 3.8Å
80	P	97.6	Very high	93.8	Very high	69 Å²	69	46.3 Å²	46.3	45%	0.448	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-37.7	179.2	-21.6	33.9	0	0	0	113	K84	P80-K84 PolarHBondContact O-N 3.39Å
81	R	97.6	Very high	93.8	Very high	71 Å²	71	46.3 Å²	46.3	27%	0.268	22%	0.219	S	C	.	.	H	α-helix	trans	-75.2	-44.3	-177.9	-63.1	178.6	179.3	-91.8	13.9	111.4	K77 I78 Y79 K83 K84 L85 L363 I367 E370	K77-R81 WeakPolarHBondContact O-CD 3.13Å; I78-R81 PolarHBondContact O-N 3.36Å; Y79-R81 VanDerWaalsContact C-N 3.33Å; Y79-R81 PolarHBondContact O-N 3.39Å; R81-K83 VanDerWaalsContact C-N 3.34Å; R81-K84 PolarHBondContact O-N 3.22Å; R81-L85 PolarHBondContact O-N 2.75Å; R81-L363 HydrophobicContact CB-CD1 4.34Å; R81-I367 HydrophobicContact CB-CD1 4.01Å; R81-I367 HydrophobicContact CB-CG1 3.6Å; R81-E370 IonicContact CZ-OE1 3.64Å; R81-E370 IonicContact NE-OE1 3.46Å; R81-E370 PolarHBondContact NE-OE1 3.48Å; R81-E370 IonicContact NH2-OE1 2.86Å; R81-E370 PolarHBondContact NH2-OE1 2.56Å
82	I	96.6	Very high	93.6	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-33.9	-179	-161.8	157.9	0	0	0	112.1	I78 Y79 L85 A86 M464 F467	I78-I82 HydrophobicContact CG2-CB 4.45Å; I78-I82 HydrophobicContact CG2-CG2 4.29Å; I78-I82 PolarHBondContact O-N 2.82Å; Y79-I82 WeakPolarHBondContact O-CG2 3.47Å; I82-L85 PolarHBondContact O-N 2.92Å; I82-A86 WeakPolarHBondContact O-CB 3.32Å; I82-A86 PolarHBondContact O-N 2.7Å; I82-M464 HydrophobicContact CD1-CE 4.3Å; I82-F467 HydrophobicContact CD1-CB 4.45Å; I82-F467 HydrophobicContact CD1-CD1 3.21Å; I82-F467 HydrophobicContact CD1-CE1 3.75Å; I82-F467 HydrophobicContact CD1-CG 4.21Å
83	K	96.3	Very high	93.2	Very high	107 Å²	107	44.9 Å²	44.9	47%	0.465	20%	0.204	S	C	.	.	H	α-helix	trans	-59.3	-49.4	170.7	-177.2	179.4	176.6	-178.3	0	110.9	Y79 R81 L85 A86 E87	Y79-K83 VanDerWaalsContact O-CB 3.28Å; Y79-K83 WeakPolarHBondContact O-CB 3.23Å; Y79-K83 PolarHBondContact O-N 2.97Å; R81-K83 VanDerWaalsContact C-N 3.34Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 3.35Å; K83-A86 PolarHBondContact O-N 3.16Å; K83-E87 WeakPolarHBondContact O-CG 3.32Å; K83-E87 PolarHBondContact O-N 3.21Å
84	K	96.8	Very high	92.8	Very high	111 Å²	111	44.1 Å²	44.1	48%	0.483	20%	0.2	S	C	.	.	H	α-helix	trans	-61.3	-36.5	176.2	-171.9	178.5	-178.2	-178.2	0	112.3	P80 R81 E87 L363	P80-K84 PolarHBondContact O-N 3.39Å; R81-K84 PolarHBondContact O-N 3.22Å; K84-E87 PolarHBondContact O-N 3.36Å; K84-L363 HydrophobicContact CB-CD2 4.14Å; K84-L363 HydrophobicContact CD-CD2 4.15Å; K84-L363 HydrophobicContact CG-CD2 3.92Å
85	L	95.9	Very high	92.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-43.9	176.9	-173.2	74.7	0	0	0	111.6	R81 I82 K83 E87 R88 F91 T360 L363 L364 I367 M464	R81-L85 PolarHBondContact O-N 2.75Å; I82-L85 PolarHBondContact O-N 2.92Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 3.35Å; L85-E87 PolarHBondContact O-N 3.2Å; L85-R88 WeakPolarHBondContact O-CB 2.96Å; L85-R88 PolarHBondContact O-N 2.77Å; L85-R88 VanDerWaalsContact O-N 3.08Å; L85-F91 HydrophobicContact CD1-CD2 3.81Å; L85-F91 HydrophobicContact CD1-CE2 3.46Å; L85-F91 VanDerWaalsContact CD1-CE2 3.46Å; L85-F91 HydrophobicContact CD1-CZ 4.3Å; L85-F91 HydrophobicContact CD2-CD2 4.29Å; L85-F91 HydrophobicContact CD2-CE2 3.95Å; L85-F91 HydrophobicContact CD2-CZ 4.08Å; L85-F91 HydrophobicContact CG-CD2 3.65Å; L85-F91 HydrophobicContact CG-CE2 3.63Å; L85-F91 HydrophobicContact CG-CG 4.31Å; L85-F91 HydrophobicContact CG-CZ 4.26Å; L85-F91 WeakPolarHBondContact O-CB 3.4Å; L85-F91 WeakPolarHBondContact O-CD2 3.42Å; L85-T360 HydrophobicContact CD1-CG2 4.14Å; L85-L363 HydrophobicContact CB-CD2 4.05Å; L85-L363 HydrophobicContact CB-CG 4.45Å; L85-L363 HydrophobicContact CD1-CB 4.36Å; L85-L363 HydrophobicContact CD1-CD2 4.07Å; L85-L363 HydrophobicContact CD1-CG 4.11Å; L85-L364 HydrophobicContact CD1-CB 4.23Å; L85-L364 HydrophobicContact CD2-CD1 3.8Å; L85-I367 HydrophobicContact CB-CD1 3.93Å; L85-I367 HydrophobicContact CD2-CD1 3.78Å; L85-I367 HydrophobicContact CG-CD1 4.31Å; L85-M464 HydrophobicContact CD2-CB 4.47Å; L85-M464 HydrophobicContact CD2-CE 3.57Å; L85-M464 HydrophobicContact CD2-CG 4.4Å
86	A	93.3	Very high	91.6	Very high	16 Å²	16	45.5 Å²	45.5	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-21.7	179.6	0	0	0	0	0	113.4	I82 K83	I82-A86 WeakPolarHBondContact O-CB 3.32Å; I82-A86 PolarHBondContact O-N 2.7Å; K83-A86 PolarHBondContact O-N 3.16Å
87	E	92.8	Very high	91.1	Very high	94 Å²	94	38.6 Å²	38.6	44%	0.439	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.2	175.6	-69	166.8	-176	0	0	113.4	K83 K84 L85 L202	K83-E87 WeakPolarHBondContact O-CG 3.32Å; K83-E87 PolarHBondContact O-N 3.21Å; K84-E87 PolarHBondContact O-N 3.36Å; L85-E87 PolarHBondContact O-N 3.2Å; E87-L202 HydrophobicContact CG-CD2 4.11Å
88	R	88.6	Confident	90.7	Very high	42 Å²	42	35.4 Å²	35.4	16%	0.158	16%	0.164	C	C	.	.	S	Bend	trans	-70.4	150.6	178.5	-62.7	-64.5	-167.3	155.9	6	111.5	L85 Y90 F91 R92 E359 T360	L85-R88 WeakPolarHBondContact O-CB 2.96Å; L85-R88 PolarHBondContact O-N 2.77Å; L85-R88 VanDerWaalsContact O-N 3.08Å; R88-Y90 PolarHBondContact O-N 2.63Å; R88-Y90 VanDerWaalsContact O-N 3.16Å; R88-F91 PolarHBondContact O-N 2.69Å; R88-R92 PolarHBondContact O-N 3.41Å; R88-E359 IonicContact CZ-OE2 3.31Å; R88-E359 VanDerWaalsContact CZ-OE2 3.28Å; R88-E359 IonicContact NH1-OE2 3.77Å; R88-E359 PolarHBondContact NH1-OE2 2.99Å; R88-E359 IonicContact NH2-OE2 3.72Å; R88-E359 PolarHBondContact NH2-OE2 3.44Å; R88-T360 HydrophobicContact CB-CG2 4.05Å; R88-T360 HydrophobicContact CG-CG2 4.16Å
89	D	83.1	Confident	90.1	Very high	34 Å²	34	41.4 Å²	41.4	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-34.7	-175.4	-85.6	0.8	0	0	0	113.2	F91 R92 Y93 P127 I130 T351 E356	D89-F91 VanDerWaalsContact C-N 3.27Å; D89-F91 PolarHBondContact O-N 3.26Å; D89-R92 VanDerWaalsContact OD1-CD 3.25Å; D89-R92 WeakPolarHBondContact OD1-CD 3.34Å; D89-R92 IonicContact OD1-NH1 2.68Å; D89-R92 PolarHBondContact OD1-NH1 3.21Å; D89-Y93 VanDerWaalsContact O-CD2 3.3Å; D89-Y93 WeakPolarHBondContact O-CD2 3.31Å; D89-P127 HydrophobicContact CB-CG 4.05Å; D89-P127 VanDerWaalsContact OD2-CG 3.3Å; D89-P127 WeakPolarHBondContact OD2-CG 3.08Å; D89-I130 VanDerWaalsContact O-CD1 3.24Å; D89-I130 WeakPolarHBondContact O-CD1 3.44Å; D89-T351 HydrophobicContact CB-CG2 4.21Å; D89-E356 WeakPolarHBondContact CB-OE1 3.28Å; D89-E356 PolarHBondContact N-OE1 3.29Å
90	Y	84.2	Confident	89.5	Confident	8 Å²	8	42.1 Å²	42.1	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-36	176	-169.7	-84	0	0	0	113	R88 L349 T351 R457 I460 V461	R88-Y90 PolarHBondContact O-N 2.63Å; R88-Y90 VanDerWaalsContact O-N 3.16Å; Y90-L349 HydrophobicContact CD1-CD2 4.15Å; Y90-L349 HydrophobicContact CD2-CB 3.64Å; Y90-L349 HydrophobicContact CD2-CD2 4.29Å; Y90-L349 VanDerWaalsContact CD2-O 3.31Å; Y90-L349 WeakPolarHBondContact CD2-O 3.44Å; Y90-L349 HydrophobicContact CE1-CD2 3.76Å; Y90-L349 HydrophobicContact CE2-CB 3.86Å; Y90-L349 HydrophobicContact CE2-CD2 3.88Å; Y90-L349 HydrophobicContact CE2-CG 4.48Å; Y90-L349 HydrophobicContact CG-CB 4.04Å; Y90-L349 HydrophobicContact CG-CD2 4.42Å; Y90-T351 HydrophobicContact CD2-CG2 4.17Å; Y90-T351 HydrophobicContact CG-CG2 4.49Å; Y90-R457 VanDerWaalsContact CE2-CZ 3.47Å; Y90-I460 HydrophobicContact CE1-CB 4.45Å; Y90-I460 HydrophobicContact CE1-CG2 3.84Å; Y90-V461 HydrophobicContact CD1-CG2 4.26Å; Y90-V461 HydrophobicContact CE1-CG2 4.04Å; Y90-V461 VanDerWaalsContact O-CG2 3.31Å; Y90-V461 WeakPolarHBondContact O-CG2 3.48Å
91	F	90.5	Very high	89	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-104.3	-19.7	-169.9	-69.3	-75.3	0	0	0	114.5	L85 R88 D89 L349 T360 L364 I460 V461 M464 N465	L85-F91 HydrophobicContact CD1-CD2 3.81Å; L85-F91 HydrophobicContact CD1-CE2 3.46Å; L85-F91 VanDerWaalsContact CD1-CE2 3.46Å; L85-F91 HydrophobicContact CD1-CZ 4.3Å; L85-F91 HydrophobicContact CD2-CD2 4.29Å; L85-F91 HydrophobicContact CD2-CE2 3.95Å; L85-F91 HydrophobicContact CD2-CZ 4.08Å; L85-F91 HydrophobicContact CG-CD2 3.65Å; L85-F91 HydrophobicContact CG-CE2 3.63Å; L85-F91 HydrophobicContact CG-CG 4.31Å; L85-F91 HydrophobicContact CG-CZ 4.26Å; L85-F91 WeakPolarHBondContact O-CB 3.4Å; L85-F91 WeakPolarHBondContact O-CD2 3.42Å; R88-F91 PolarHBondContact O-N 2.69Å; D89-F91 VanDerWaalsContact C-N 3.27Å; D89-F91 PolarHBondContact O-N 3.26Å; F91-L349 HydrophobicContact CE2-CD1 4.28Å; F91-L349 HydrophobicContact CZ-CD1 4.43Å; F91-T360 HydrophobicContact CD2-CG2 4.04Å; F91-T360 HydrophobicContact CE2-CG2 3.68Å; F91-L364 HydrophobicContact CZ-CD1 4.44Å; F91-I460 HydrophobicContact CE1-CG2 3.97Å; F91-I460 HydrophobicContact CZ-CG2 4.38Å; F91-V461 HydrophobicContact CD1-CG2 4.49Å; F91-M464 HydrophobicContact CD1-CB 3.86Å; F91-M464 HydrophobicContact CD1-CG 4.21Å; F91-M464 HydrophobicContact CE1-CB 3.66Å; F91-M464 HydrophobicContact CE1-CG 3.48Å; F91-M464 VanDerWaalsContact CE1-CG 3.48Å; F91-M464 HydrophobicContact CZ-CG 4.09Å; F91-N465 PolarHBondContact O-ND2 3.24Å
92	R	87.6	Confident	88.6	Confident	51 Å²	51	42.1 Å²	42.1	19%	0.192	20%	0.201	C	C	.	.	H	α-helix	trans	-75.9	-25.7	-179	73.7	-177.4	-72.3	-173.9	2.3	114.1	R88 D89 D200 L201 L202	R88-R92 PolarHBondContact O-N 3.41Å; D89-R92 VanDerWaalsContact OD1-CD 3.25Å; D89-R92 WeakPolarHBondContact OD1-CD 3.34Å; D89-R92 IonicContact OD1-NH1 2.68Å; D89-R92 PolarHBondContact OD1-NH1 3.21Å; R92-D200 IonicContact CZ-OD1 2.67Å; R92-D200 IonicContact CZ-OD2 3.64Å; R92-D200 IonicContact NE-OD1 3.52Å; R92-D200 PolarHBondContact NE-OD1 3.12Å; R92-D200 IonicContact NE-OD2 3.47Å; R92-D200 IonicContact NH2-OD1 3.49Å; R92-D200 PolarHBondContact NH2-OD1 2.81Å; R92-D200 IonicContact NH2-OD2 3.12Å; R92-D200 PolarHBondContact NH2-OD2 3.16Å; R92-L201 WeakPolarHBondContact O-CB 3.42Å; R92-L201 VanDerWaalsContact O-CG 3.27Å; R92-L201 WeakPolarHBondContact O-CG 3.43Å; R92-L201 PolarHBondContact O-N 3.22Å; R92-L202 HydrophobicContact CB-CD1 4.28Å; R92-L202 HydrophobicContact CB-CG 4.15Å
93	Y	84.6	Confident	88.2	Confident	17 Å²	17	44.9 Å²	44.9	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.1	-176.8	-63.2	-68.1	0	0	0	110.4	D89 K125 V126 P127 I130 V199 D200	D89-Y93 VanDerWaalsContact O-CD2 3.3Å; D89-Y93 WeakPolarHBondContact O-CD2 3.31Å; Y93-K125 PolarHBondContact OH-O 3.5Å; Y93-V126 HydrophobicContact CD1-CG2 4.4Å; Y93-V126 HydrophobicContact CE1-CG2 4.47Å; Y93-P127 HydrophobicContact CD2-CG 4.44Å; Y93-P127 HydrophobicContact CE2-CG 3.88Å; Y93-I130 HydrophobicContact CD2-CD1 3.7Å; Y93-I130 HydrophobicContact CE2-CD1 4.49Å; Y93-V199 WeakPolarHBondContact CA-O 3.39Å; Y93-D200 HydrophobicContact CD1-CB 4.22Å; Y93-D200 HydrophobicContact CE1-CB 4Å
94	Y	85.8	Confident	87.8	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.9	178.7	-178	-111.7	0	0	0	110.1	V96 V199 L419 L423 Q426 Q458 V461 A462	Y94-V96 HydrophobicContact CD1-CB 3.92Å; Y94-V96 HydrophobicContact CD1-CG1 4.24Å; Y94-V96 HydrophobicContact CE1-CB 3.74Å; Y94-V96 HydrophobicContact CE1-CG1 4.48Å; Y94-V96 HydrophobicContact CE1-CG2 4.12Å; Y94-V199 PolarHBondContact N-O 2.82Å; Y94-V199 PolarHBondContact O-N 3.06Å; Y94-L419 HydrophobicContact CD1-CD1 3.87Å; Y94-L419 HydrophobicContact CE1-CD1 4.41Å; Y94-L423 HydrophobicContact CD1-CB 4.42Å; Y94-L423 HydrophobicContact CD1-CD1 4.13Å; Y94-L423 HydrophobicContact CD2-CD1 4.18Å; Y94-L423 HydrophobicContact CE1-CB 3.97Å; Y94-L423 HydrophobicContact CE1-CD1 4.45Å; Y94-L423 HydrophobicContact CE2-CG 4.44Å; Y94-L423 HydrophobicContact CG-CD1 3.98Å; Y94-Q426 PolarHBondContact OH-OE1 2.73Å; Y94-Q458 HydrophobicContact CD2-CG 4.18Å; Y94-Q458 HydrophobicContact CE2-CG 3.53Å; Y94-V461 HydrophobicContact CD2-CG1 3.98Å; Y94-A462 HydrophobicContact CE2-CB 4.25Å
95	K	81.7	Confident	87.4	Confident	41 Å²	41	41.1 Å²	41.1	18%	0.178	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.1	176.8	-171.3	173.3	176.5	-179.5	0	109.1	E191 A196 E197 Y198 Q458	K95-E191 WeakPolarHBondContact CE-O 3.5Å; K95-E191 PolarHBondContact NZ-O 3.47Å; K95-A196 HydrophobicContact CG-CB 4.18Å; K95-E197 WeakPolarHBondContact CA-O 3.47Å; K95-Y198 HydrophobicContact CB-CD1 3.99Å; K95-Y198 HydrophobicContact CB-CE1 3.77Å; K95-Y198 HydrophobicContact CD-CE2 4.16Å; K95-Q458 PolarHBondContact O-NE2 3.1Å
96	V	84.6	Confident	86.6	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148	-177.8	62.3	0	0	0	0	111.2	Y94 L98 E197 V199 L419 K422	Y94-V96 HydrophobicContact CD1-CB 3.92Å; Y94-V96 HydrophobicContact CD1-CG1 4.24Å; Y94-V96 HydrophobicContact CE1-CB 3.74Å; Y94-V96 HydrophobicContact CE1-CG1 4.48Å; Y94-V96 HydrophobicContact CE1-CG2 4.12Å; V96-L98 HydrophobicContact CG1-CD1 4.34Å; V96-L98 HydrophobicContact CG1-CD2 4.13Å; V96-L98 HydrophobicContact CG1-CG 3.94Å; V96-L98 HydrophobicContact CG2-CD2 3.79Å; V96-L98 HydrophobicContact CG2-CG 4.29Å; V96-E197 PolarHBondContact N-O 3.29Å; V96-E197 PolarHBondContact O-N 3.43Å; V96-V199 HydrophobicContact CG1-CB 4.45Å; V96-V199 HydrophobicContact CG1-CG2 3.7Å; V96-L419 HydrophobicContact CB-CD1 4.46Å; V96-L419 HydrophobicContact CG1-CD1 3.66Å; V96-K422 HydrophobicContact CG2-CB 4.47Å; V96-K422 HydrophobicContact CG2-CD 3.56Å
97	N	86.3	Confident	85.5	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.016	26%	0.257	C	S	.	.			trans	-101	107.1	168.1	-174.9	-20.1	0	0	0	109.8	K99 R100 D190 S193 A196	N97-K99 WeakPolarHBondContact OD1-CA 3.27Å; N97-K99 PolarHBondContact OD1-N 3.09Å; N97-R100 HydrophobicContact CB-CG 4.42Å; N97-R100 PolarHBondContact OD1-N 3.08Å; N97-R100 VanDerWaalsContact OD1-N 3.16Å; N97-D190 HydrophobicContact CB-CB 4.44Å; N97-D190 VanDerWaalsContact CB-OD1 3.29Å; N97-D190 WeakPolarHBondContact CB-OD1 3.33Å; N97-S193 PolarHBondContact ND2-OG 3.18Å; N97-A196 HydrophobicContact CB-CB 4.34Å
98	L	85.4	Confident	84.3	Confident	39 Å²	39	49.9 Å²	49.9	20%	0.204	26%	0.256	C	S	.	.			trans	-93.4	-0.5	176.4	-59.5	178.5	0	0	0	113.2	V96 V118 R418 L419	V96-L98 HydrophobicContact CG1-CD1 4.34Å; V96-L98 HydrophobicContact CG1-CD2 4.13Å; V96-L98 HydrophobicContact CG1-CG 3.94Å; V96-L98 HydrophobicContact CG2-CD2 3.79Å; V96-L98 HydrophobicContact CG2-CG 4.29Å; L98-V118 HydrophobicContact CD1-CB 3.82Å; L98-V118 HydrophobicContact CD1-CG1 3.77Å; L98-V118 HydrophobicContact CD1-CG2 4.08Å; L98-R418 HydrophobicContact CD2-CB 4.31Å; L98-R418 HydrophobicContact CD2-CG 3.89Å; L98-R418 PolarHBondContact O-NH1 2.73Å; L98-L419 HydrophobicContact CD2-CB 4.2Å
99	K	84.6	Confident	82.9	Confident	126 Å²	126	48.2 Å²	48.2	55%	0.548	25%	0.252	S	S	.	.			trans	-98.8	-10	-174.5	-66.3	172.5	178.5	167.3	0	113.4	N97 D195 E197	N97-K99 WeakPolarHBondContact OD1-CA 3.27Å; N97-K99 PolarHBondContact OD1-N 3.09Å; K99-D195 HydrophobicContact CD-CB 4.42Å; K99-E197 IonicContact NZ-OE1 2.82Å; K99-E197 PolarHBondContact NZ-OE1 3.47Å; K99-E197 IonicContact NZ-OE2 3.31Å
100	R	85.4	Confident	82	Confident	44 Å²	44	53.6 Å²	53.6	17%	0.166	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-57.6	135.9	177.8	-72.2	174.8	-169.5	-114.3	-23.1	111	N97 E187 D189 D190 D410 R418	N97-R100 HydrophobicContact CB-CG 4.42Å; N97-R100 PolarHBondContact OD1-N 3.08Å; N97-R100 VanDerWaalsContact OD1-N 3.16Å; R100-E187 IonicContact NH1-OE2 3.76Å; R100-D189 VanDerWaalsContact NH1-CB 3.26Å; R100-D189 IonicContact NH1-OD2 3.97Å; R100-D189 PolarHBondContact NH2-O 3.4Å; R100-D190 IonicContact CZ-OD1 3.19Å; R100-D190 IonicContact NE-OD1 3.74Å; R100-D190 PolarHBondContact NE-OD1 3.14Å; R100-D190 IonicContact NH2-OD1 2.78Å; R100-D190 PolarHBondContact NH2-OD1 3.47Å; R100-D190 VanDerWaalsContact NH2-OD1 3.17Å; R100-D410 HydrophobicContact CB-CB 4.45Å; R100-D410 WeakPolarHBondContact CD-OD2 3.24Å; R100-R418 PolarHBondContact O-NH1 3.47Å; R100-R418 PolarHBondContact O-NH2 3Å
101	P	87.1	Confident	80.9	Confident	111 Å²	111	54.6 Å²	54.6	72%	0.721	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-71.8	150.9	172.1	30.7	-34.2	0	0	0	110.8	P103	P101-P103 WeakPolarHBondContact O-CD 3.43Å
102	C	88.8	Confident	79.6	Confident	28 Å²	28	58.7 Å²	58.7	19%	0.189	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.5	126.4	171.9	175.3	0	0	0	0	110.6	F104 W105 C411	C102-F104 VanDerWaalsContact C-N 3.29Å; C102-F104 PolarHBondContact O-N 3.45Å; C102-F104 PolarHBondContact SG-N 2.96Å; C102-F104 VanDerWaalsContact SG-N 3.45Å; C102-W105 VanDerWaalsContact CB-O 3.3Å; C102-W105 WeakPolarHBondContact CB-O 3.43Å; C102-W105 PolarHBondContact SG-N 3.44Å; C102-W105 PolarHBondContact SG-O 2.98Å; C102-C411 HydrophobicContact CB-CB 3.77Å; C102-C411 WeakPolarHBondContact CB-SG 3.38Å; C102-C411 WeakPolarHBondContact SG-CB 3.28Å; C102-C411 CovalentContact SG-SG 2.02Å; C102-C411 PolarHBondContact SG-SG 3.31Å
103	P	88.6	Confident	78.7	Confident	62 Å²	62	57.1 Å²	57.1	40%	0.403	31%	0.308	S	S	.	.	S	Bend	trans	-79.6	-8.6	179.1	30.7	-35.1	0	0	0	113.9	P101 R407	P101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-R407 HydrophobicContact CG-CB 4.4Å
104	F	88.2	Confident	77.4	Confident	98 Å²	98	66.1 Å²	66.1	43%	0.43	35%	0.347	S	S	.	.	S	Bend	trans	-110.7	-35.4	-168.6	-58.1	-60.9	0	0	0	114.5	C102 R407 I408	C102-F104 VanDerWaalsContact C-N 3.29Å; C102-F104 PolarHBondContact O-N 3.45Å; C102-F104 PolarHBondContact SG-N 2.96Å; C102-F104 VanDerWaalsContact SG-N 3.45Å; F104-R407 HydrophobicContact CE2-CB 4.03Å; F104-R407 HydrophobicContact CZ-CB 4.18Å; F104-I408 HydrophobicContact CD2-CG1 4.24Å; F104-I408 HydrophobicContact CE2-CB 4.47Å; F104-I408 HydrophobicContact CE2-CG1 3.68Å; F104-I408 HydrophobicContact CZ-CG1 4.44Å
105	W	87.4	Confident	76.2	Confident	42 Å²	42	69.1 Å²	69.1	16%	0.159	36%	0.363	C	S	.	.	S	Bend	trans	-151.3	156.5	179.8	51.9	82.9	0	0	0	111.3	C102 R218 V219 I408 C411	C102-W105 VanDerWaalsContact CB-O 3.3Å; C102-W105 WeakPolarHBondContact CB-O 3.43Å; C102-W105 PolarHBondContact SG-N 3.44Å; C102-W105 PolarHBondContact SG-O 2.98Å; W105-R218 HydrophobicContact CH2-CG 4.22Å; W105-R218 HydrophobicContact CZ2-CG 4.15Å; W105-R218 HydrophobicContact CZ3-CG 4.46Å; W105-V219 HydrophobicContact CZ2-CG2 4.1Å; W105-I408 HydrophobicContact CH2-CG2 4.5Å; W105-C411 HydrophobicContact CD2-CB 4.49Å; W105-C411 HydrophobicContact CH2-CB 4.16Å; W105-C411 HydrophobicContact CZ2-CB 3.37Å
106	P	81.1	Confident	75.3	Confident	113 Å²	113	67.4 Å²	67.4	73%	0.734	36%	0.356	S	S	*	.			trans	-63.2	144.6	172.8	26.7	-34.5	0	0	0	110.8	D108	P106-D108 PolarHBondContact O-N 3.33Å
107	D	69.8	Low	74.7	Confident	102 Å²	102	73.4 Å²	73.4	55%	0.545	38%	0.384	S	S	.	.			trans	-65.6	119.3	-179.6	-167.1	7.2	0	0	0	110.5	G109	D107-G109 PolarHBondContact OD1-N 3.18Å
108	D	66.4	Low	73.9	Confident	80 Å²	80	73.6 Å²	73.6	43%	0.428	39%	0.385	S	S	.	.			trans	-127.1	0.2	-175.4	65.4	2	0	0	0	113	P106 S215 R218	P106-D108 PolarHBondContact O-N 3.33Å; D108-S215 PolarHBondContact OD1-OG 2.66Å; D108-R218 IonicContact OD1-NH1 3.89Å; D108-R218 IonicContact OD2-CZ 2.76Å; D108-R218 IonicContact OD2-NH1 2.76Å; D108-R218 PolarHBondContact OD2-NH1 3.48Å; D108-R218 IonicContact OD2-NH2 2.8Å; D108-R218 PolarHBondContact OD2-NH2 3.11Å
109	G	59.7	Low	73	Confident	6 Å²	6	78.7 Å²	78.7	6%	0.062	41%	0.408	C	S	.	.			trans	-119	122.9	-173.3	0	0	0	0	0	111.8	D107 G413	D107-G109 PolarHBondContact OD1-N 3.18Å; G109-G413 CarbonylContact O-C 3.57Å; G109-G413 VanDerWaalsContact O-CA 3.22Å; G109-G413 WeakPolarHBondContact O-CA 3.31Å
110	H	64.4	Low	72.2	Confident	147 Å²	147	75.6 Å²	75.6	68%	0.681	40%	0.401	S	S	*	.			trans	-117.3	147.9	168	-65	-37.7	0	0	0	110.5	S112	H110-S112 PolarHBondContact O-N 2.98Å
111	C	61.8	Low	71.3	Confident	29 Å²	29	74.3 Å²	74.3	20%	0.196	40%	0.398	C	S	.	.			trans	-58.9	136.5	168.8	-98.2	0	0	0	0	111.6	I113 C116 T209 C414	C111-I113 VanDerWaalsContact C-N 3.34Å; C111-C116 HydrophobicContact CB-CB 3.12Å; C111-C116 WeakPolarHBondContact CB-SG 3.05Å; C111-C116 WeakPolarHBondContact SG-CB 3.45Å; C111-C116 CovalentContact SG-SG 2Å; C111-C116 PolarHBondContact SG-SG 3.38Å; C111-T209 PolarHBondContact SG-OG1 3.17Å; C111-C414 WeakPolarHBondContact SG-CB 3.33Å; C111-C414 PolarHBondContact SG-SG 2.84Å
112	S	63.1	Low	70.4	Confident	87 Å²	87	72 Å²	72	61%	0.608	38%	0.384	S	S	*	.	S	Bend	trans	-80.4	-15.5	-179	-52.1	0	0	0	0	113.4	H110 G210	H110-S112 PolarHBondContact O-N 2.98Å; S112-G210 PolarHBondContact OG-O 3.31Å
113	I	66.9	Low	69.3	Low	18 Å²	18	78.5 Å²	78.5	9%	0.092	41%	0.411	C	S	.	.	S	Bend	trans	-106.9	148.4	-178.5	73.6	-178.8	0	0	0	112.1	C111 D115 C116 Y208 T209 L287 W297	C111-I113 VanDerWaalsContact C-N 3.34Å; I113-D115 VanDerWaalsContact C-N 3.26Å; I113-D115 HydrophobicContact CD1-CB 4.3Å; I113-D115 HydrophobicContact CG1-CB 4.49Å; I113-D115 PolarHBondContact O-N 2.95Å; I113-C116 HydrophobicContact CG1-CB 3.91Å; I113-C116 PolarHBondContact O-N 3.16Å; I113-Y208 WeakPolarHBondContact CD1-O 3.39Å; I113-Y208 HydrophobicContact CG2-CE1 4.4Å; I113-T209 VanDerWaalsContact CG1-O 3.29Å; I113-T209 WeakPolarHBondContact CG1-O 3.32Å; I113-L287 HydrophobicContact CG2-CD2 4.29Å; I113-W297 HydrophobicContact CD1-CH2 4.01Å
114	K	57.6	Low	68.2	Low	206 Å²	206	80.4 Å²	80.4	90%	0.896	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-62.4	-32.4	177.1	-65.4	-179.5	-178.2	175	0	112.8	C116	K114-C116 PolarHBondContact O-N 3.28Å
115	D	60.4	Low	67.3	Low	67 Å²	67	82.7 Å²	82.7	36%	0.358	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-80.5	15.2	-177.3	-82.7	5.9	0	0	0	114.8	I113 R207 W297 K416	I113-D115 VanDerWaalsContact C-N 3.26Å; I113-D115 HydrophobicContact CD1-CB 4.3Å; I113-D115 HydrophobicContact CG1-CB 4.49Å; I113-D115 PolarHBondContact O-N 2.95Å; D115-R207 IonicContact OD2-NH2 3.28Å; D115-R207 PolarHBondContact OD2-NH2 3.37Å; D115-W297 HydrophobicContact CB-CZ2 4.45Å; D115-K416 VanDerWaalsContact O-CE 3.25Å; D115-K416 WeakPolarHBondContact O-CE 3.24Å; D115-K416 PolarHBondContact O-NZ 3.29Å
116	C	64.4	Low	66.3	Low	5 Å²	5	80.9 Å²	80.9	3%	0.034	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-91.6	-11.1	-179.4	179.3	0	0	0	0	114	C111 I113 K114 C414	C111-C116 HydrophobicContact CB-CB 3.12Å; C111-C116 WeakPolarHBondContact CB-SG 3.05Å; C111-C116 WeakPolarHBondContact SG-CB 3.45Å; C111-C116 CovalentContact SG-SG 2Å; C111-C116 PolarHBondContact SG-SG 3.38Å; I113-C116 HydrophobicContact CG1-CB 3.91Å; I113-C116 PolarHBondContact O-N 3.16Å; K114-C116 PolarHBondContact O-N 3.28Å; C116-C414 PolarHBondContact SG-SG 2.93Å
117	H	70.7	Confident	65.7	Low	129 Å²	129	76.6 Å²	76.6	60%	0.597	40%	0.401	S	S	*	.			trans	-68	141	175.6	-163.7	60.7	0	0	0	110.9	K416	H117-K416 WeakPolarHBondContact O-CE 3.33Å
118	V	70.5	Confident	65.5	Low	7 Å²	7	77.3 Å²	77.3	4%	0.042	40%	0.404	C	S	.	.			trans	-99.7	115.6	173.2	174.7	0	0	0	0	106.7	L98 P120 V199 K416 L419	L98-V118 HydrophobicContact CD1-CB 3.82Å; L98-V118 HydrophobicContact CD1-CG1 3.77Å; L98-V118 HydrophobicContact CD1-CG2 4.08Å; V118-P120 WeakPolarHBondContact O-CD 2.83Å; V118-V199 HydrophobicContact CG1-CB 4.4Å; V118-V199 HydrophobicContact CG1-CG1 3.52Å; V118-V199 HydrophobicContact CG1-CG2 3.9Å; V118-K416 HydrophobicContact CG2-CB 4.3Å; V118-K416 HydrophobicContact CG2-CG 3.55Å; V118-L419 HydrophobicContact CG1-CD2 4.36Å; V118-L419 HydrophobicContact CG2-CD2 4.25Å
119	E	66.6	Low	65.1	Low	146 Å²	146	73.7 Å²	73.7	68%	0.682	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-81.6	123.3	174	-67.9	-174	169.2	0	0	109.4
120	P	67.9	Low	65.1	Low	61 Å²	61	73.5 Å²	73.5	40%	0.396	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-59.6	141.4	173.2	-22.5	34	0	0	0	110.9	V118 E197	V118-P120 WeakPolarHBondContact O-CD 2.83Å; P120-E197 HydrophobicContact CB-CB 4.4Å; P120-E197 WeakPolarHBondContact CB-OE2 3.44Å; P120-E197 WeakPolarHBondContact CG-OE2 2.94Å
121	C	65.2	Low	64.7	Low	17 Å²	17	70 Å²	70	12%	0.115	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-73.6	125	174.4	-168.5	0	0	0	0	108.6	E123 V126 Y198	C121-E123 PolarHBondContact O-N 3.13Å; C121-V126 HydrophobicContact CB-CG2 4.24Å; C121-Y198 VanDerWaalsContact CB-O 3.23Å; C121-Y198 WeakPolarHBondContact CB-O 3.32Å; C121-Y198 PolarHBondContact N-O 2.95Å
122	P	69.1	Low	63.9	Low	63 Å²	63	70.8 Å²	70.8	41%	0.409	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.7	135.3	177.3	25.9	-33.5	0	0	0	108.9	S124 K125	P122-S124 PolarHBondContact O-N 2.96Å; P122-K125 HydrophobicContact CG-CB 4.24Å; P122-K125 HydrophobicContact CG-CD 3.72Å; P122-K125 HydrophobicContact CG-CG 3.89Å; P122-K125 PolarHBondContact O-N 3.33Å
123	E	65.4	Low	62.8	Low	163 Å²	163	69.6 Å²	69.6	76%	0.762	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-50.3	-44.8	-174.2	-69.7	-171.2	172.8	0	0	110.8	C121 K125 V126 K131	C121-E123 PolarHBondContact O-N 3.13Å; E123-K125 PolarHBondContact O-N 3.21Å; E123-V126 PolarHBondContact O-N 3.04Å; E123-K131 VanDerWaalsContact C-CE 3.43Å; E123-K131 WeakPolarHBondContact O-CE 2.93Å; E123-K131 PolarHBondContact O-NZ 2.84Å
124	S	64.8	Low	61.4	Low	102 Å²	102	75.1 Å²	75.1	71%	0.713	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-44.1	-34.6	176.2	60.5	0	0	0	0	116	P122 K131	P122-S124 PolarHBondContact O-N 2.96Å; S124-K131 PolarHBondContact O-NZ 3.4Å
125	K	69.5	Low	60.1	Low	147 Å²	147	74.5 Å²	74.5	64%	0.639	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-86.5	-13	-178.8	-68	-174.6	-176.4	178.5	0	114.7	Y93 P122 E123	Y93-K125 PolarHBondContact OH-O 3.5Å; P122-K125 HydrophobicContact CG-CB 4.24Å; P122-K125 HydrophobicContact CG-CD 3.72Å; P122-K125 HydrophobicContact CG-CG 3.89Å; P122-K125 PolarHBondContact O-N 3.33Å; E123-K125 PolarHBondContact O-N 3.21Å
126	V	66.5	Low	58.8	Low	4 Å²	4	78.9 Å²	78.9	2%	0.024	42%	0.419	C	S	.	.	S	Bend	trans	-79.5	129.4	176.7	-178.9	0	0	0	0	109.3	Y93 C121 E123 I130 K131 Y198	Y93-V126 HydrophobicContact CD1-CG2 4.4Å; Y93-V126 HydrophobicContact CE1-CG2 4.47Å; C121-V126 HydrophobicContact CB-CG2 4.24Å; E123-V126 PolarHBondContact O-N 3.04Å; V126-I130 HydrophobicContact CG1-CB 3.89Å; V126-I130 HydrophobicContact CG1-CG2 3.74Å; V126-K131 HydrophobicContact CB-CG 4.15Å; V126-K131 HydrophobicContact CG1-CG 4.01Å; V126-K131 WeakPolarHBondContact O-CD 3.49Å; V126-K131 WeakPolarHBondContact O-CE 3.17Å; V126-K131 PolarHBondContact O-NZ 2.94Å; V126-Y198 HydrophobicContact CG1-CG 4.38Å; V126-Y198 HydrophobicContact CG2-CG 4.41Å
127	P	69.3	Low	57.3	Low	22 Å²	22	88.1 Å²	88.1	14%	0.143	46%	0.459	C	S	.	.			trans	-53.2	143.1	177.2	-28.9	34.2	0	0	0	113.4	D89 Y93 G129 I130 K131 T351	D89-P127 HydrophobicContact CB-CG 4.05Å; D89-P127 VanDerWaalsContact OD2-CG 3.3Å; D89-P127 WeakPolarHBondContact OD2-CG 3.08Å; Y93-P127 HydrophobicContact CD2-CG 4.44Å; Y93-P127 HydrophobicContact CE2-CG 3.88Å; P127-G129 VanDerWaalsContact C-N 3.29Å; P127-G129 PolarHBondContact O-N 3.33Å; P127-I130 HydrophobicContact CB-CD1 4.13Å; P127-I130 HydrophobicContact CB-CG1 4.22Å; P127-I130 HydrophobicContact CG-CD1 4.01Å; P127-I130 WeakPolarHBondContact O-CB 3.47Å; P127-I130 PolarHBondContact O-N 2.88Å; P127-K131 PolarHBondContact O-N 3.48Å; P127-K131 VanDerWaalsContact O-N 3.1Å; P127-T351 VanDerWaalsContact CB-O 3.25Å; P127-T351 WeakPolarHBondContact CB-O 3.41Å
128	I	65.9	Low	55.4	Low	118 Å²	118	92.7 Å²	92.7	61%	0.605	47%	0.473	S	S	*	.	H	α-helix	trans	-61.3	-37.8	-173	-61.8	168.3	0	0	0	111.2	I130 K131 S132	I128-I130 PolarHBondContact O-N 3Å; I128-K131 PolarHBondContact O-N 3.23Å; I128-S132 VanDerWaalsContact O-CB 3.25Å; I128-S132 WeakPolarHBondContact O-CB 3.13Å; I128-S132 PolarHBondContact O-N 3.11Å; I128-S132 PolarHBondContact O-OG 3.31Å
129	G	57.2	Low	53.6	Low	3 Å²	3	96.9 Å²	96.9	3%	0.031	50%	0.502	C	S	.	.	H	α-helix	trans	-68.4	-19	177.9	0	0	0	0	0	114.3	P127 T351	P127-G129 VanDerWaalsContact C-N 3.29Å; P127-G129 PolarHBondContact O-N 3.33Å; G129-T351 VanDerWaalsContact CA-C 3.5Å; G129-T351 VanDerWaalsContact CA-O 3.26Å; G129-T351 WeakPolarHBondContact CA-O 3.29Å; G129-T351 PolarHBondContact N-O 3.05Å
130	I	60.4	Low	52	Low	2 Å²	2	99 Å²	99	1%	0.01	51%	0.512	C	S	.	.	H	α-helix	trans	-84.5	-39.9	173.6	-59.3	-180	0	0	0	110.2	D89 Y93 V126 P127 I128 Y198 T351	D89-I130 VanDerWaalsContact O-CD1 3.24Å; D89-I130 WeakPolarHBondContact O-CD1 3.44Å; Y93-I130 HydrophobicContact CD2-CD1 3.7Å; Y93-I130 HydrophobicContact CE2-CD1 4.49Å; V126-I130 HydrophobicContact CG1-CB 3.89Å; V126-I130 HydrophobicContact CG1-CG2 3.74Å; P127-I130 HydrophobicContact CB-CD1 4.13Å; P127-I130 HydrophobicContact CB-CG1 4.22Å; P127-I130 HydrophobicContact CG-CD1 4.01Å; P127-I130 WeakPolarHBondContact O-CB 3.47Å; P127-I130 PolarHBondContact O-N 2.88Å; I128-I130 PolarHBondContact O-N 3Å; I130-Y198 HydrophobicContact CG2-CD1 4.14Å; I130-Y198 HydrophobicContact CG2-CE1 3.48Å; I130-Y198 VanDerWaalsContact CG2-CE1 3.48Å; I130-Y198 PolarHBondContact O-OH 2.84Å; I130-T351 HydrophobicContact CD1-CG2 4.37Å; I130-T351 HydrophobicContact CG1-CG2 4.5Å
131	K	55.4	Low	50.2	Low	74 Å²	74	100.9 Å²	100.9	32%	0.322	53%	0.533	S	S	.	.	H	α-helix	trans	-65.4	-41.5	174.1	-67.6	170.4	169.6	148.2	0	113.4	E123 S124 V126 P127 I128 G133	E123-K131 VanDerWaalsContact C-CE 3.43Å; E123-K131 WeakPolarHBondContact O-CE 2.93Å; E123-K131 PolarHBondContact O-NZ 2.84Å; S124-K131 PolarHBondContact O-NZ 3.4Å; V126-K131 HydrophobicContact CB-CG 4.15Å; V126-K131 HydrophobicContact CG1-CG 4.01Å; V126-K131 WeakPolarHBondContact O-CD 3.49Å; V126-K131 WeakPolarHBondContact O-CE 3.17Å; V126-K131 PolarHBondContact O-NZ 2.94Å; P127-K131 PolarHBondContact O-N 3.48Å; P127-K131 VanDerWaalsContact O-N 3.1Å; I128-K131 PolarHBondContact O-N 3.23Å; K131-G133 PolarHBondContact O-N 2.77Å; K131-G133 VanDerWaalsContact O-N 3.09Å
132	S	45.3	Very low	48.5	Very low	45 Å²	45	104 Å²	104	32%	0.315	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-75	6.5	-171.2	-64.3	0	0	0	0	114.3	I128 N134 Y135	I128-S132 VanDerWaalsContact O-CB 3.25Å; I128-S132 WeakPolarHBondContact O-CB 3.13Å; I128-S132 PolarHBondContact O-N 3.11Å; I128-S132 PolarHBondContact O-OG 3.31Å; S132-N134 PolarHBondContact O-N 2.88Å; S132-Y135 CarbonylContact O-C 3.55Å; S132-Y135 PolarHBondContact O-N 2.88Å
133	G	39.7	Very low	46.5	Very low	63 Å²	63	108.1 Å²	108.1	65%	0.649	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-55	-15.6	169.6	0	0	0	0	0	114.1	K131	K131-G133 PolarHBondContact O-N 2.77Å; K131-G133 VanDerWaalsContact O-N 3.09Å
134	N	37.1	Very low	44.8	Very low	133 Å²	133	106.7 Å²	106.7	71%	0.711	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-105.8	-0.5	173.2	-102.6	15.9	0	0	0	115.9	S132	S132-N134 PolarHBondContact O-N 2.88Å
135	Y	31.3	Very low	42.9	Very low	193 Å²	193	109.9 Å²	109.9	76%	0.757	59%	0.587	S	S	*	*			trans	-144.7	98.1	176.2	-73.2	-78.6	0	0	0	111.3	S132 K137	S132-Y135 CarbonylContact O-C 3.55Å; S132-Y135 PolarHBondContact O-N 2.88Å; Y135-K137 PolarHBondContact O-N 3.48Å
136	N	32.6	Very low	40.9	Very low	159 Å²	159	107 Å²	107	85%	0.85	59%	0.585	S	S	*	*			trans	-64.7	99.5	168.2	-74.2	-34	0	0	0	110.5
137	K	33	Very low	39	Very low	199 Å²	199	114.4 Å²	114.4	87%	0.865	62%	0.624	S	S	*	*			trans	-123.7	109.2	149.7	-94.6	-173.1	176.7	179.6	0	108.7	Y135 S139	Y135-K137 PolarHBondContact O-N 3.48Å; K137-S139 PolarHBondContact O-N 3.02Å
138	Y	31.1	Very low	37.1	Very low	225 Å²	225	122.5 Å²	122.5	88%	0.882	66%	0.661	S	S	*	*			trans	-45.6	131.8	165.8	-87.4	-102.3	0	0	0	110.4
139	S	32.7	Very low	35.6	Very low	95 Å²	95	121.5 Å²	121.5	66%	0.664	67%	0.67	S	S	*	*			trans	-66.2	130.4	-176	48.6	0	0	0	0	112.6	K137 A141	K137-S139 PolarHBondContact O-N 3.02Å; S139-A141 VanDerWaalsContact C-N 3.33Å; S139-A141 PolarHBondContact O-N 2.85Å
140	Q	33.3	Very low	34.2	Very low	192 Å²	192	131 Å²	131	90%	0.897	71%	0.713	S	S	*	*			trans	-67.3	79	169.8	-70.5	172.5	-37.3	0	0	111.5
141	A	28.6	Very low	32.6	Very low	99 Å²	99	136.9 Å²	136.9	82%	0.818	75%	0.754	S	S	*	*			trans	-106.3	21.6	168.2	0	0	0	0	0	112.8	S139	S139-A141 VanDerWaalsContact C-N 3.33Å; S139-A141 PolarHBondContact O-N 2.85Å
142	A	31.1	Very low	31.4	Very low	84 Å²	84	142.3 Å²	142.3	69%	0.694	78%	0.78	S	S	*	*	S	Bend	trans	-120	-1	-176.5	0	0	0	0	0	115.6
143	N	26.7	Very low	30.7	Very low	149 Å²	149	149.4 Å²	149.4	80%	0.797	81%	0.808	S	S	*	*			trans	-130.7	69.6	-177	-74.1	-32.9	0	0	0	111.6	M145	N143-M145 PolarHBondContact O-N 3.39Å
144	T	28.5	Very low	30.2	Very low	133 Å²	133	151.4 Å²	151.4	82%	0.816	82%	0.818	S	S	*	*			trans	-68.3	116.8	146.8	26	0	0	0	0	107.9
145	M	24.8	Very low	30	Very low	168 Å²	168	152.8 Å²	152.8	83%	0.828	83%	0.826	S	S	*	*			trans	166.7	108.1	141.2	-82.9	-88.7	113.5	0	0	107.9	N143	N143-M145 PolarHBondContact O-N 3.39Å
146	S	28.6	Very low	30.1	Very low	87 Å²	87	153 Å²	153	61%	0.608	83%	0.831	S	S	*	*			trans	19.5	116.5	142.1	56.6	0	0	0	0	118.2
147	D	26.3	Very low	29.8	Very low	159 Å²	159	153.9 Å²	153.9	85%	0.85	83%	0.834	S	S	*	*				169.1	143.2	92.6	-92.6	-27.6	0	0	0	110.6
148	E	29.7	Very low	29.7	Very low	193 Å²	193	148.5 Å²	148.5	90%	0.902	84%	0.835	S	S	*	*			trans	-65.1	125.6	-179.6	-66.1	166.2	142.5	0	0	111.9
149	A	33.5	Very low	29.8	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	83%	0.831	S	S	*	*			trans	170.8	82.5	138.2	0	0	0	0	0	110.4
150	E	27.9	Very low	29.5	Very low	201 Å²	201	145.9 Å²	145.9	94%	0.939	84%	0.841	S	S	*	*			trans	-136.2	89.5	170.4	-84.5	-168.3	156.9	0	0	111.7
151	C	27.5	Very low	29.1	Very low	127 Å²	127	143.8 Å²	143.8	86%	0.858	84%	0.836	S	S	*	*	S	Bend	trans	-140.6	131	147.8	-142.9	0	0	0	0	106.1
152	E	30.2	Very low	29.2	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.874	83%	0.826	S	S	*	*	S	Bend	trans	90.9	50.6	178.4	-50.6	-169.9	165.3	0	0	118.9
153	Q	31.2	Very low	29.1	Very low	194 Å²	194	145.7 Å²	145.7	91%	0.907	83%	0.832	S	S	*	*			trans	-154	33	149.3	-123.1	162.4	1.5	0	0	115.8	N155	Q153-N155 PolarHBondContact O-N 3.31Å
154	A	28.9	Very low	29.4	Very low	105 Å²	105	143.7 Å²	143.7	87%	0.868	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	36.4	-177.7	0	0	0	0	0	115.1
155	N	32.4	Very low	29.8	Very low	162 Å²	162	140.4 Å²	140.4	87%	0.866	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.8	9.1	-175.3	-102.2	-21	0	0	0	117.5	Q153	Q153-N155 PolarHBondContact O-N 3.31Å
156	K	34.1	Very low	30.5	Very low	198 Å²	198	138.4 Å²	138.4	86%	0.861	80%	0.797	S	S	*	*	S	Bend	trans	-151.4	34.1	-178.8	-111.7	-178.8	-166.4	-178.8	0	119
157	L	26.6	Very low	30.9	Very low	177 Å²	177	141.8 Å²	141.8	93%	0.927	80%	0.803	S	S	*	*			trans	-133.9	36.4	167.8	-72.6	171.2	0	0	0	113.5	A159	L157-A159 PolarHBondContact O-N 3.28Å
158	G	30.3	Very low	31.3	Very low	86 Å²	86	135.9 Å²	135.9	89%	0.887	77%	0.774	S	S	*	*			trans	-80.1	79.3	163.3	0	0	0	0	0	111.1
159	A	32.1	Very low	31.5	Very low	95 Å²	95	132.4 Å²	132.4	79%	0.785	76%	0.756	S	S	*	*			trans	-162.7	89.6	159.4	0	0	0	0	0	110.1	L157	L157-A159 PolarHBondContact O-N 3.28Å
160	I	26.5	Very low	31.7	Very low	170 Å²	170	134 Å²	134	87%	0.872	75%	0.746	S	S	*	*			trans	-113.7	126	156.8	-59.8	179	0	0	0	107.5	S162	I160-S162 PolarHBondContact O-N 3.43Å
161	N	25.1	Very low	32	Very low	148 Å²	148	125.6 Å²	125.6	79%	0.791	71%	0.712	S	S	*	*			trans	-59.9	120.2	-171.2	-142	-9.5	0	0	0	111.4
162	S	31.2	Very low	32.2	Very low	89 Å²	89	125.2 Å²	125.2	62%	0.622	70%	0.696	S	S	*	*			trans	-84.8	107.9	173	48	0	0	0	0	110.3	I160	I160-S162 PolarHBondContact O-N 3.43Å
163	T	29.5	Very low	32.6	Very low	134 Å²	134	118.3 Å²	118.3	82%	0.822	67%	0.671	S	S	*	*			trans	-123.6	60.8	162.2	-2.8	0	0	0	0	110.4
164	L	33.2	Very low	32.8	Very low	107 Å²	107	113 Å²	113	56%	0.56	65%	0.649	S	S	*	*	S	Bend	trans	-117.6	121	147.9	-88.1	158.4	0	0	0	104.9
165	S	36.2	Very low	33.1	Very low	64 Å²	64	114.7 Å²	114.7	45%	0.448	63%	0.633	S	S	.	*			trans	-59.8	151.9	-174.6	72	0	0	0	0	110.2	Q167 S168 K169	S165-Q167 PolarHBondContact O-N 3.24Å; S165-Q167 VanDerWaalsContact O-N 3.16Å; S165-S168 WeakPolarHBondContact O-CB 3.33Å; S165-S168 PolarHBondContact O-N 3.46Å; S165-S168 PolarHBondContact OG-N 3.25Å; S165-S168 PolarHBondContact OG-OG 2.93Å; S165-S168 VanDerWaalsContact OG-OG 3.07Å; S165-K169 PolarHBondContact O-N 3.3Å
166	N	39.1	Very low	33.2	Very low	127 Å²	127	109.3 Å²	109.3	68%	0.679	61%	0.61	S	S	*	*	H	α-helix	trans	-58.6	-28.1	177.4	-73.4	-17.2	0	0	0	112	S168 K169 E170	N166-S168 VanDerWaalsContact C-N 3.34Å; N166-S168 PolarHBondContact O-N 3.37Å; N166-K169 PolarHBondContact O-N 3.49Å; N166-E170 PolarHBondContact O-N 2.89Å
167	Q	37.3	Very low	33.5	Very low	158 Å²	158	107.7 Å²	107.7	74%	0.738	60%	0.599	S	S	*	*	H	α-helix	trans	-61.6	-35.5	169.3	-91.1	176.8	-6.1	0	0	113.5	S165 A171	S165-Q167 PolarHBondContact O-N 3.24Å; S165-Q167 VanDerWaalsContact O-N 3.16Å; Q167-A171 WeakPolarHBondContact O-CB 3.46Å; Q167-A171 PolarHBondContact O-N 3.2Å
168	S	34.3	Very low	33.7	Very low	35 Å²	35	105.5 Å²	105.5	25%	0.245	58%	0.584	C	S	.	*	H	α-helix	trans	-72.8	-35.3	177.9	-52	0	0	0	0	112	S165 N166 A171 F172	S165-S168 WeakPolarHBondContact O-CB 3.33Å; S165-S168 PolarHBondContact O-N 3.46Å; S165-S168 PolarHBondContact OG-N 3.25Å; S165-S168 PolarHBondContact OG-OG 2.93Å; S165-S168 VanDerWaalsContact OG-OG 3.07Å; N166-S168 VanDerWaalsContact C-N 3.34Å; N166-S168 PolarHBondContact O-N 3.37Å; S168-A171 PolarHBondContact O-N 3.27Å; S168-F172 WeakPolarHBondContact O-CD2 3.41Å; S168-F172 PolarHBondContact O-N 2.9Å
169	K	33.8	Very low	34	Very low	119 Å²	119	106.8 Å²	106.8	52%	0.517	57%	0.57	S	S	.	*	H	α-helix	trans	-72.5	-39.6	177.7	-71.2	-179.3	179.7	176.3	0	112.4	S165 N166 A173	S165-K169 PolarHBondContact O-N 3.3Å; N166-K169 PolarHBondContact O-N 3.49Å; K169-A173 WeakPolarHBondContact O-CB 3.45Å; K169-A173 PolarHBondContact O-N 3.37Å; K169-A173 VanDerWaalsContact O-N 3.14Å
170	E	39.4	Very low	34.6	Very low	130 Å²	130	107.1 Å²	107.1	61%	0.607	56%	0.559	S	S	*	*	H	α-helix	trans	-66.5	-38.5	169.1	-77.6	176.6	163.5	0	0	110.9	N166 F172 A173 D174	N166-E170 PolarHBondContact O-N 2.89Å; E170-F172 PolarHBondContact O-N 3.23Å; E170-A173 PolarHBondContact O-N 2.93Å; E170-D174 WeakPolarHBondContact O-CB 3.5Å; E170-D174 PolarHBondContact O-N 3.47Å
171	A	32.4	Very low	35.3	Very low	26 Å²	26	102.1 Å²	102.1	22%	0.215	54%	0.543	C	S	.	.	H	α-helix	trans	-63.1	-39.8	174.5	0	0	0	0	0	113.1	Q167 S168 D174 W175	Q167-A171 WeakPolarHBondContact O-CB 3.46Å; Q167-A171 PolarHBondContact O-N 3.2Å; S168-A171 PolarHBondContact O-N 3.27Å; A171-D174 CarbonylContact O-C 3.48Å; A171-D174 PolarHBondContact O-N 3.23Å; A171-W175 HydrophobicContact CB-CZ2 4.09Å; A171-W175 WeakPolarHBondContact O-CA 3.46Å; A171-W175 WeakPolarHBondContact O-CB 3.35Å; A171-W175 PolarHBondContact O-N 3.03Å
172	F	32.3	Very low	36.1	Very low	118 Å²	118	101.9 Å²	101.9	52%	0.518	54%	0.537	S	S	.	.	H	α-helix	trans	-71.4	-33.1	175.5	-74.4	-66.8	0	0	0	113.2	S168 E170 W175 A176	S168-F172 WeakPolarHBondContact O-CD2 3.41Å; S168-F172 PolarHBondContact O-N 2.9Å; E170-F172 PolarHBondContact O-N 3.23Å; F172-W175 AromaticContact CD1-CE3 3.55Å; F172-W175 HydrophobicContact CD1-CE3 3.55Å; F172-W175 AromaticContact CD1-CZ3 3.83Å; F172-W175 HydrophobicContact CD1-CZ3 3.83Å; F172-W175 AromaticContact CE1-CE3 3.61Å; F172-W175 HydrophobicContact CE1-CE3 3.61Å; F172-W175 AromaticContact CE1-CZ3 3.42Å; F172-W175 HydrophobicContact CE1-CZ3 3.42Å; F172-W175 VanDerWaalsContact CE1-CZ3 3.42Å; F172-W175 HydrophobicContact CG-CE3 4.38Å; F172-W175 HydrophobicContact CZ-CE3 4.46Å; F172-W175 AromaticContact CZ-CZ3 3.9Å; F172-W175 HydrophobicContact CZ-CZ3 3.9Å; F172-W175 PolarHBondContact O-N 3.38Å; F172-A176 WeakPolarHBondContact O-CB 3.5Å; F172-A176 PolarHBondContact O-N 3.06Å
173	A	39.1	Very low	37.1	Very low	43 Å²	43	100.3 Å²	100.3	36%	0.355	52%	0.521	S	S	.	.	H	α-helix	trans	-75.4	-29	173.9	0	0	0	0	0	112.6	K169 E170 R177	K169-A173 WeakPolarHBondContact O-CB 3.45Å; K169-A173 PolarHBondContact O-N 3.37Å; K169-A173 VanDerWaalsContact O-N 3.14Å; E170-A173 PolarHBondContact O-N 2.93Å; A173-R177 WeakPolarHBondContact O-CB 3.35Å; A173-R177 WeakPolarHBondContact O-CG 3.46Å; A173-R177 PolarHBondContact O-N 3.36Å; A173-R177 VanDerWaalsContact O-N 3.1Å; A173-R177 PolarHBondContact O-NE 3.22Å
174	D	34.8	Very low	38.4	Very low	82 Å²	82	95.7 Å²	95.7	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-79.6	-28.5	170.4	-80.7	-7.3	0	0	0	111.4	E170 A171 R177 H178	E170-D174 WeakPolarHBondContact O-CB 3.5Å; E170-D174 PolarHBondContact O-N 3.47Å; A171-D174 CarbonylContact O-C 3.48Å; A171-D174 PolarHBondContact O-N 3.23Å; D174-R177 CarbonylContact O-C 3.54Å; D174-R177 IonicContact OD1-CZ 3.52Å; D174-R177 IonicContact OD1-NE 3.94Å; D174-R177 IonicContact OD1-NH1 3.76Å; D174-R177 IonicContact OD1-NH2 3.5Å; D174-H178 WeakPolarHBondContact O-CA 3.32Å; D174-H178 WeakPolarHBondContact O-CB 3.5Å; D174-H178 PolarHBondContact O-N 2.9Å
175	W	35.7	Very low	39.4	Very low	141 Å²	141	90.7 Å²	90.7	53%	0.534	46%	0.464	S	S	.	.	H	α-helix	trans	-74.9	-41.6	172.7	-65.1	-9	0	0	0	111	A171 F172 R177 H178 D179	A171-W175 HydrophobicContact CB-CZ2 4.09Å; A171-W175 WeakPolarHBondContact O-CA 3.46Å; A171-W175 WeakPolarHBondContact O-CB 3.35Å; A171-W175 PolarHBondContact O-N 3.03Å; F172-W175 AromaticContact CD1-CE3 3.55Å; F172-W175 HydrophobicContact CD1-CE3 3.55Å; F172-W175 AromaticContact CD1-CZ3 3.83Å; F172-W175 HydrophobicContact CD1-CZ3 3.83Å; F172-W175 AromaticContact CE1-CE3 3.61Å; F172-W175 HydrophobicContact CE1-CE3 3.61Å; F172-W175 AromaticContact CE1-CZ3 3.42Å; F172-W175 HydrophobicContact CE1-CZ3 3.42Å; F172-W175 VanDerWaalsContact CE1-CZ3 3.42Å; F172-W175 HydrophobicContact CG-CE3 4.38Å; F172-W175 HydrophobicContact CZ-CE3 4.46Å; F172-W175 AromaticContact CZ-CZ3 3.9Å; F172-W175 HydrophobicContact CZ-CZ3 3.9Å; F172-W175 PolarHBondContact O-N 3.38Å; W175-R177 VanDerWaalsContact C-N 3.34Å; W175-R177 PolarHBondContact O-N 3.39Å; W175-H178 PolarHBondContact O-N 3.16Å; W175-D179 WeakPolarHBondContact O-CA 3.49Å; W175-D179 WeakPolarHBondContact O-CB 3.29Å; W175-D179 PolarHBondContact O-N 3.35Å
176	A	34.8	Very low	40.4	Very low	48 Å²	48	88.5 Å²	88.5	40%	0.397	45%	0.449	S	S	.	.	H	α-helix	trans	-59.1	-45.5	167.6	0	0	0	0	0	110.9	F172 H178 D180	F172-A176 WeakPolarHBondContact O-CB 3.5Å; F172-A176 PolarHBondContact O-N 3.06Å; A176-H178 VanDerWaalsContact C-N 3.35Å; A176-H178 PolarHBondContact O-N 3.09Å; A176-D180 WeakPolarHBondContact O-CB 3.25Å; A176-D180 PolarHBondContact O-N 3.47Å; A176-D180 VanDerWaalsContact O-OD2 3.08Å
177	R	39.4	Very low	41.2	Very low	164 Å²	164	83.6 Å²	83.6	62%	0.619	42%	0.422	S	S	*	.	H	α-helix	trans	-68.6	-25.3	174.9	-83.6	-177.5	-87.4	164.1	-5.8	114.9	A173 D174 W175 A181	A173-R177 WeakPolarHBondContact O-CB 3.35Å; A173-R177 WeakPolarHBondContact O-CG 3.46Å; A173-R177 PolarHBondContact O-N 3.36Å; A173-R177 VanDerWaalsContact O-N 3.1Å; A173-R177 PolarHBondContact O-NE 3.22Å; D174-R177 CarbonylContact O-C 3.54Å; D174-R177 IonicContact OD1-CZ 3.52Å; D174-R177 IonicContact OD1-NE 3.94Å; D174-R177 IonicContact OD1-NH1 3.76Å; D174-R177 IonicContact OD1-NH2 3.5Å; W175-R177 VanDerWaalsContact C-N 3.34Å; W175-R177 PolarHBondContact O-N 3.39Å; R177-A181 WeakPolarHBondContact O-CB 3.11Å
178	H	31.9	Very low	41.8	Very low	131 Å²	131	78.2 Å²	78.2	61%	0.606	40%	0.398	S	S	*	.	H	α-helix	trans	-87.8	-32.5	178.8	-177.4	-60.8	0	0	0	111.6	D174 W175 A176	D174-H178 WeakPolarHBondContact O-CA 3.32Å; D174-H178 WeakPolarHBondContact O-CB 3.5Å; D174-H178 PolarHBondContact O-N 2.9Å; W175-H178 PolarHBondContact O-N 3.16Å; A176-H178 VanDerWaalsContact C-N 3.35Å; A176-H178 PolarHBondContact O-N 3.09Å
179	D	36.3	Very low	42.6	Very low	114 Å²	114	80.4 Å²	80.4	61%	0.61	41%	0.407	S	S	*	.	H	α-helix	trans	-84.2	-31	177.9	-65.3	-20.8	0	0	0	111.4	W175 A181	W175-D179 WeakPolarHBondContact O-CA 3.49Å; W175-D179 WeakPolarHBondContact O-CB 3.29Å; W175-D179 PolarHBondContact O-N 3.35Å; D179-A181 PolarHBondContact O-N 3.2Å
180	D	43.8	Very low	43.6	Very low	102 Å²	102	75 Å²	75	55%	0.545	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.5	169.9	-69.6	-24.4	0	0	0	112.6	A176 H184	A176-D180 WeakPolarHBondContact O-CB 3.25Å; A176-D180 PolarHBondContact O-N 3.47Å; A176-D180 VanDerWaalsContact O-OD2 3.08Å; D180-H184 PolarHBondContact O-CE1 2.89Å; D180-H184 PolarHBondContact O-ND1 2.9Å
181	A	41.5	Very low	44.3	Very low	64 Å²	64	71.5 Å²	71.5	53%	0.529	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.7	-173.1	0	0	0	0	0	115.7	R177 D179	R177-A181 WeakPolarHBondContact O-CB 3.11Å; D179-A181 PolarHBondContact O-N 3.2Å
182	Q	42.8	Very low	45.6	Very low	144 Å²	144	75.5 Å²	75.5	67%	0.673	39%	0.389	S	S	*	.	S	Bend	trans	-134.2	122.7	177.7	-59.5	-81.6	-40.9	0	0	110.3
183	D	50.8	Low	47.2	Very low	55 Å²	55	70.8 Å²	70.8	29%	0.294	37%	0.371	S	S	.	.			trans	85.1	44.6	166.3	-68.1	-9.5	0	0	0	121.4	K395	D183-K395 IonicContact OD1-NZ 3.78Å; D183-K395 IonicContact OD2-NZ 3.48Å; D183-K395 PolarHBondContact OD2-NZ 3.13Å
184	H	57.2	Low	48.6	Very low	38 Å²	38	74.7 Å²	74.7	18%	0.176	39%	0.392	C	S	.	.			trans	-100.3	126.5	167.3	-63	97.9	0	0	0	113	D180 L188 R399	D180-H184 PolarHBondContact O-CE1 2.89Å; D180-H184 PolarHBondContact O-ND1 2.9Å; H184-L188 HydrophobicContact CB-CD1 4.48Å; H184-L188 HydrophobicContact CB-CG 4.33Å; H184-L188 WeakPolarHBondContact ND1-CD1 3.31Å; H184-R399 VanDerWaalsContact O-CD 3.23Å; H184-R399 WeakPolarHBondContact O-CD 3.18Å; H184-R399 WeakPolarHBondContact O-CG 3.47Å; H184-R399 PolarHBondContact O-NH1 2.57Å
185	F	54.6	Low	50.6	Low	2 Å²	2	74.8 Å²	74.8	1%	0.009	39%	0.393	C	S	.	.	S	Bend	trans	-85.7	-16.2	178.9	-81.8	-109.8	0	0	0	114.6	K395 F398 R399 F402 K403 L432 K433 F436	F185-K395 HydrophobicContact CE2-CG 4.36Å; F185-K395 HydrophobicContact CZ-CG 3.69Å; F185-F398 HydrophobicContact CE1-CB 4.38Å; F185-R399 HydrophobicContact CB-CG 4.26Å; F185-R399 HydrophobicContact CD1-CB 3.94Å; F185-R399 HydrophobicContact CD1-CG 4.08Å; F185-R399 HydrophobicContact CD2-CG 3.96Å; F185-R399 HydrophobicContact CE1-CB 4.01Å; F185-R399 HydrophobicContact CE1-CG 4.44Å; F185-R399 HydrophobicContact CE2-CG 4.34Å; F185-R399 HydrophobicContact CG-CB 4.23Å; F185-R399 HydrophobicContact CG-CG 3.84Å; F185-R399 HydrophobicContact CZ-CB 4.37Å; F185-F402 CarbonylContact O-C 3.26Å; F185-F402 WeakPolarHBondContact O-CB 3.29Å; F185-K403 PolarHBondContact O-N 2.84Å; F185-L432 HydrophobicContact CE1-CB 4.19Å; F185-K433 HydrophobicContact CD2-CB 3.47Å; F185-K433 VanDerWaalsContact CD2-CB 3.47Å; F185-K433 HydrophobicContact CD2-CD 4.1Å; F185-K433 HydrophobicContact CD2-CG 3.78Å; F185-K433 VanDerWaalsContact CE2-CA 3.49Å; F185-K433 HydrophobicContact CE2-CB 3.46Å; F185-K433 VanDerWaalsContact CE2-CB 3.46Å; F185-K433 HydrophobicContact CE2-CD 4.47Å; F185-K433 HydrophobicContact CE2-CG 3.7Å; F185-K433 HydrophobicContact CG-CB 4.16Å; F185-K433 HydrophobicContact CZ-CB 4.14Å; F185-F436 HydrophobicContact CE1-CD2 4.38Å; F185-F436 HydrophobicContact CZ-CD2 4.12Å
186	C	56.5	Low	52.8	Low	17 Å²	17	68.9 Å²	68.9	12%	0.115	37%	0.374	C	S	.	.	S	Bend	trans	-132.3	162.9	177.4	-60.5	0	0	0	0	110.1	L188 Q426	C186-L188 PolarHBondContact O-N 3.5Å; C186-Q426 HydrophobicContact CB-CG 4.25Å; C186-Q426 VanDerWaalsContact SG-CA 3.59Å
187	E	56.8	Low	54.9	Low	25 Å²	25	69.7 Å²	69.7	12%	0.117	37%	0.37	C	S	.	.			trans	-67.2	119.1	179.1	-68.5	-164.5	157.1	0	0	110.8	R100 D189 K403 R407	R100-E187 IonicContact NH1-OE2 3.76Å; E187-D189 PolarHBondContact O-N 2.9Å; E187-K403 HydrophobicContact CG-CD 4.31Å; E187-K403 HydrophobicContact CG-CG 3.65Å; E187-K403 VanDerWaalsContact OE1-CE 3.28Å; E187-K403 WeakPolarHBondContact OE1-CE 3.33Å; E187-R407 VanDerWaalsContact OE1-CD 3.25Å; E187-R407 WeakPolarHBondContact OE1-CD 3.29Å; E187-R407 WeakPolarHBondContact OE1-CG 3.37Å; E187-R407 IonicContact OE1-NE 3.18Å
188	L	50.4	Low	56.9	Low	45 Å²	45	64.5 Å²	64.5	24%	0.236	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.7	170.9	-75.5	176.5	0	0	0	113.3	H184 C186 D190 E191 T192	H184-L188 HydrophobicContact CB-CD1 4.48Å; H184-L188 HydrophobicContact CB-CG 4.33Å; H184-L188 WeakPolarHBondContact ND1-CD1 3.31Å; C186-L188 PolarHBondContact O-N 3.5Å; L188-D190 PolarHBondContact O-N 3.05Å; L188-E191 PolarHBondContact O-N 2.79Å; L188-T192 PolarHBondContact O-N 2.6Å
189	D	51.3	Low	59.3	Low	80 Å²	80	58.4 Å²	58.4	43%	0.428	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-20.9	-171.9	-61.5	-15.6	0	0	0	111.1	R100 E187 S193	R100-D189 VanDerWaalsContact NH1-CB 3.26Å; R100-D189 IonicContact NH1-OD2 3.97Å; R100-D189 PolarHBondContact NH2-O 3.4Å; E187-D189 PolarHBondContact O-N 2.9Å; D189-S193 WeakPolarHBondContact O-CA 3.33Å; D189-S193 WeakPolarHBondContact O-CB 3.47Å; D189-S193 PolarHBondContact O-N 3.48Å
190	D	52.9	Low	61.6	Low	7 Å²	7	53.3 Å²	53.3	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-73.9	-22.3	174.9	-75.2	-8.2	0	0	0	113.3	N97 R100 L188 A196 K422	N97-D190 HydrophobicContact CB-CB 4.44Å; N97-D190 VanDerWaalsContact CB-OD1 3.29Å; N97-D190 WeakPolarHBondContact CB-OD1 3.33Å; R100-D190 IonicContact CZ-OD1 3.19Å; R100-D190 IonicContact NE-OD1 3.74Å; R100-D190 PolarHBondContact NE-OD1 3.14Å; R100-D190 IonicContact NH2-OD1 2.78Å; R100-D190 PolarHBondContact NH2-OD1 3.47Å; R100-D190 VanDerWaalsContact NH2-OD1 3.17Å; L188-D190 PolarHBondContact O-N 3.05Å; D190-A196 WeakPolarHBondContact O-CB 3.42Å; D190-K422 IonicContact OD1-NZ 2.63Å; D190-K422 WeakPolarHBondContact OD2-CE 3.45Å; D190-K422 IonicContact OD2-NZ 3.14Å; D190-K422 PolarHBondContact OD2-NZ 2.86Å
191	E	55.3	Low	63.8	Low	55 Å²	55	48.9 Å²	48.9	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-82.1	-35.2	173.6	-66.9	-165.6	133.5	0	0	112	K95 L188 Q458	K95-E191 WeakPolarHBondContact CE-O 3.5Å; K95-E191 PolarHBondContact NZ-O 3.47Å; L188-E191 PolarHBondContact O-N 2.79Å; E191-Q458 HydrophobicContact CG-CB 4.35Å; E191-Q458 WeakPolarHBondContact OE1-CB 3.49Å
192	T	60.1	Low	66	Low	110 Å²	110	49.5 Å²	49.5	68%	0.675	27%	0.266	S	S	*	.	H	α-helix	trans	-94.6	-12.3	-175	58.3	0	0	0	0	113.1	L188	L188-T192 PolarHBondContact O-N 2.6Å
193	S	65.9	Low	68	Low	20 Å²	20	48.6 Å²	48.6	14%	0.14	27%	0.265	C	S	.	.			trans	-66.6	135.6	177.7	172.3	0	0	0	0	111.3	N97 D189 D195 A196	N97-S193 PolarHBondContact ND2-OG 3.18Å; D189-S193 WeakPolarHBondContact O-CA 3.33Å; D189-S193 WeakPolarHBondContact O-CB 3.47Å; D189-S193 PolarHBondContact O-N 3.48Å; S193-D195 PolarHBondContact O-N 3.13Å; S193-D195 PolarHBondContact OG-N 3.28Å; S193-A196 VanDerWaalsContact O-CB 3.32Å; S193-A196 WeakPolarHBondContact O-CB 3.29Å; S193-A196 PolarHBondContact O-N 3.34Å
194	P	67.3	Low	69.8	Low	124 Å²	124	46.3 Å²	46.3	81%	0.805	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-21	175.8	28	-35.6	0	0	0	113	A196	P194-A196 VanDerWaalsContact C-N 3.34Å
195	D	78.1	Confident	71.4	Confident	84 Å²	84	46.7 Å²	46.7	45%	0.449	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.9	-178.9	-55.7	-53.8	0	0	0	113	K99 S193	K99-D195 HydrophobicContact CD-CB 4.42Å; S193-D195 PolarHBondContact O-N 3.13Å; S193-D195 PolarHBondContact OG-N 3.28Å
196	A	80.6	Confident	73.3	Confident	17 Å²	17	47.4 Å²	47.4	14%	0.14	26%	0.262	C	S	.	.			trans	-81.2	127.8	179.2	0	0	0	0	0	111.8	K95 N97 D190 S193 P194	K95-A196 HydrophobicContact CG-CB 4.18Å; N97-A196 HydrophobicContact CB-CB 4.34Å; D190-A196 WeakPolarHBondContact O-CB 3.42Å; S193-A196 VanDerWaalsContact O-CB 3.32Å; S193-A196 WeakPolarHBondContact O-CB 3.29Å; S193-A196 PolarHBondContact O-N 3.34Å; P194-A196 VanDerWaalsContact C-N 3.34Å
197	E	79.6	Confident	75	Confident	65 Å²	65	49 Å²	49	30%	0.304	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.4	-173.9	-67.9	169.3	177.1	0	0	110.2	K95 V96 K99 P120	K95-E197 WeakPolarHBondContact CA-O 3.47Å; V96-E197 PolarHBondContact N-O 3.29Å; V96-E197 PolarHBondContact O-N 3.43Å; K99-E197 IonicContact NZ-OE1 2.82Å; K99-E197 PolarHBondContact NZ-OE1 3.47Å; K99-E197 IonicContact NZ-OE2 3.31Å; P120-E197 HydrophobicContact CB-CB 4.4Å; P120-E197 WeakPolarHBondContact CB-OE2 3.44Å; P120-E197 WeakPolarHBondContact CG-OE2 2.94Å
198	Y	80.5	Confident	76.6	Confident	55 Å²	55	50 Å²	50	22%	0.216	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.3	170.7	-78.7	-81.7	0	0	0	110	K95 C121 V126 I130	K95-Y198 HydrophobicContact CB-CD1 3.99Å; K95-Y198 HydrophobicContact CB-CE1 3.77Å; K95-Y198 HydrophobicContact CD-CE2 4.16Å; C121-Y198 VanDerWaalsContact CB-O 3.23Å; C121-Y198 WeakPolarHBondContact CB-O 3.32Å; C121-Y198 PolarHBondContact N-O 2.95Å; V126-Y198 HydrophobicContact CG1-CG 4.38Å; V126-Y198 HydrophobicContact CG2-CG 4.41Å; I130-Y198 HydrophobicContact CG2-CD1 4.14Å; I130-Y198 HydrophobicContact CG2-CE1 3.48Å; I130-Y198 VanDerWaalsContact CG2-CE1 3.48Å; I130-Y198 PolarHBondContact O-OH 2.84Å
199	V	83.4	Confident	78.4	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.8	175.4	-179.6	0	0	0	0	108.9	Y93 Y94 V96 V118 N204 L419	Y93-V199 WeakPolarHBondContact CA-O 3.39Å; Y94-V199 PolarHBondContact N-O 2.82Å; Y94-V199 PolarHBondContact O-N 3.06Å; V96-V199 HydrophobicContact CG1-CB 4.45Å; V96-V199 HydrophobicContact CG1-CG2 3.7Å; V118-V199 HydrophobicContact CG1-CB 4.4Å; V118-V199 HydrophobicContact CG1-CG1 3.52Å; V118-V199 HydrophobicContact CG1-CG2 3.9Å; V199-N204 HydrophobicContact CG1-CB 4.35Å; V199-N204 WeakPolarHBondContact CG1-ND2 3.28Å; V199-L419 HydrophobicContact CB-CD1 4.25Å; V199-L419 HydrophobicContact CG1-CD1 4.23Å; V199-L419 HydrophobicContact CG1-CD2 3.82Å; V199-L419 HydrophobicContact CG2-CD1 4.44Å
200	D	85.1	Confident	80.1	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	112.9	170.7	-173.4	-6	0	0	0	109.8	R92 Y93 L202 L203 N204	R92-D200 IonicContact CZ-OD1 2.67Å; R92-D200 IonicContact CZ-OD2 3.64Å; R92-D200 IonicContact NE-OD1 3.52Å; R92-D200 PolarHBondContact NE-OD1 3.12Å; R92-D200 IonicContact NE-OD2 3.47Å; R92-D200 IonicContact NH2-OD1 3.49Å; R92-D200 PolarHBondContact NH2-OD1 2.81Å; R92-D200 IonicContact NH2-OD2 3.12Å; R92-D200 PolarHBondContact NH2-OD2 3.16Å; Y93-D200 HydrophobicContact CD1-CB 4.22Å; Y93-D200 HydrophobicContact CE1-CB 4Å; D200-L202 VanDerWaalsContact C-N 3.26Å; D200-L202 PolarHBondContact O-N 3.17Å; D200-L202 WeakPolarHBondContact OD1-CB 3.44Å; D200-L202 PolarHBondContact OD1-N 3.12Å; D200-L202 VanDerWaalsContact OD1-N 3.11Å; D200-L203 HydrophobicContact CB-CB 4.45Å; D200-L203 HydrophobicContact CB-CD1 4.19Å; D200-L203 HydrophobicContact CB-CG 4.27Å; D200-L203 PolarHBondContact O-N 2.68Å; D200-N204 PolarHBondContact O-N 3.27Å; D200-N204 PolarHBondContact O-ND2 3.36Å
201	L	89.4	Confident	81.7	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.042	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.7	-177.1	-62.4	176.7	0	0	0	112.3	R92 L203 N204 L419 W420 L423	R92-L201 WeakPolarHBondContact O-CB 3.42Å; R92-L201 VanDerWaalsContact O-CG 3.27Å; R92-L201 WeakPolarHBondContact O-CG 3.43Å; R92-L201 PolarHBondContact O-N 3.22Å; L201-L203 VanDerWaalsContact C-N 3.33Å; L201-N204 CarbonylContact O-C 3.54Å; L201-N204 VanDerWaalsContact O-C 3.26Å; L201-N204 PolarHBondContact O-N 3.26Å; L201-L419 HydrophobicContact CD2-CD1 4.29Å; L201-L419 HydrophobicContact CD2-CD2 4.24Å; L201-L419 HydrophobicContact CD2-CG 4.42Å; L201-W420 HydrophobicContact CB-CH2 4.34Å; L201-W420 HydrophobicContact CB-CZ2 4.44Å; L201-W420 HydrophobicContact CD2-CH2 4.32Å; L201-W420 HydrophobicContact CD2-CZ2 4.32Å; L201-L423 HydrophobicContact CD1-CD1 3.66Å; L201-L423 HydrophobicContact CD2-CD1 3.86Å; L201-L423 HydrophobicContact CG-CD1 4.43Å
202	L	87.2	Confident	83.2	Confident	78 Å²	78	51 Å²	51	41%	0.408	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-32.4	178.8	-61.2	-177.7	0	0	0	112.1	E87 R92 D200 N204	E87-L202 HydrophobicContact CG-CD2 4.11Å; R92-L202 HydrophobicContact CB-CD1 4.28Å; R92-L202 HydrophobicContact CB-CG 4.15Å; D200-L202 VanDerWaalsContact C-N 3.26Å; D200-L202 PolarHBondContact O-N 3.17Å; D200-L202 WeakPolarHBondContact OD1-CB 3.44Å; D200-L202 PolarHBondContact OD1-N 3.12Å; D200-L202 VanDerWaalsContact OD1-N 3.11Å; L202-N204 VanDerWaalsContact C-N 3.31Å
203	L	85.4	Confident	84.4	Confident	124 Å²	124	46.8 Å²	46.8	65%	0.649	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.3	174.7	-60.6	-179.9	0	0	0	112.4	D200 L201 P205	D200-L203 HydrophobicContact CB-CB 4.45Å; D200-L203 HydrophobicContact CB-CD1 4.19Å; D200-L203 HydrophobicContact CB-CG 4.27Å; D200-L203 PolarHBondContact O-N 2.68Å; L201-L203 VanDerWaalsContact C-N 3.33Å; L203-P205 WeakPolarHBondContact O-CD 3.44Å
204	N	88.6	Confident	85.4	Confident	7 Å²	7	49 Å²	49	4%	0.037	27%	0.265	C	S	.	.	S	Bend	trans	-122	58.1	-176.1	-66	-78.1	0	0	0	111.8	V199 D200 L201 L202 L419 W420	V199-N204 HydrophobicContact CG1-CB 4.35Å; V199-N204 WeakPolarHBondContact CG1-ND2 3.28Å; D200-N204 PolarHBondContact O-N 3.27Å; D200-N204 PolarHBondContact O-ND2 3.36Å; L201-N204 CarbonylContact O-C 3.54Å; L201-N204 VanDerWaalsContact O-C 3.26Å; L201-N204 PolarHBondContact O-N 3.26Å; L202-N204 VanDerWaalsContact C-N 3.31Å; N204-L419 HydrophobicContact CB-CD2 3.86Å; N204-W420 WeakPolarHBondContact O-CZ2 3.4Å; N204-W420 PolarHBondContact O-NE1 2.76Å
205	P	91.3	Very high	86.3	Confident	46 Å²	46	43.7 Å²	43.7	30%	0.299	23%	0.23	S	C	.	.			trans	-64.4	147	-178.8	28.9	-36.1	0	0	0	112	L203 R207	L203-P205 WeakPolarHBondContact O-CD 3.44Å; P205-R207 PolarHBondContact O-N 3.31Å
206	E	93.3	Very high	86.8	Confident	18 Å²	18	40.1 Å²	40.1	8%	0.084	21%	0.213	C	C	.	.			trans	-69.9	114.1	170	-172	175.2	-130.7	0	0	109.4	I278 H281 W420 Q424 R469	E206-I278 WeakPolarHBondContact OE1-CG1 3.47Å; E206-H281 HydrophobicContact CG-CB 4Å; E206-H281 IonicContact OE2-CD2 2.68Å; E206-H281 PolarHBondContact OE2-CD2 3.18Å; E206-H281 IonicContact OE2-CE1 3.17Å; E206-H281 PolarHBondContact OE2-CE1 3.25Å; E206-H281 IonicContact OE2-CG 2.89Å; E206-H281 VanDerWaalsContact OE2-CG 3.29Å; E206-H281 IonicContact OE2-ND1 3.63Å; E206-H281 PolarHBondContact OE2-ND1 3.2Å; E206-H281 IonicContact OE2-NE2 3.12Å; E206-W420 HydrophobicContact CB-CD2 3.76Å; E206-W420 HydrophobicContact CB-CE3 4.42Å; E206-W420 HydrophobicContact CB-CG 3.81Å; E206-W420 HydrophobicContact CB-CZ2 4.34Å; E206-W420 HydrophobicContact CG-CB 4.4Å; E206-W420 HydrophobicContact CG-CD2 4.43Å; E206-W420 HydrophobicContact CG-CG 4.08Å; E206-W420 VanDerWaalsContact N-NE1 3.14Å; E206-Q424 PolarHBondContact OE1-NE2 2.89Å; E206-Q424 VanDerWaalsContact OE1-NE2 3.07Å; E206-Q424 PolarHBondContact OE1-OE1 3.04Å; E206-Q424 PolarHBondContact OE2-NE2 3.2Å; E206-R469 WeakPolarHBondContact OE2-CD 3.35Å
207	R	91.9	Very high	87.2	Confident	50 Å²	50	46.8 Å²	46.8	19%	0.189	23%	0.234	C	C	.	.			trans	-155.8	-176.2	-176.6	66.2	-178.7	-172.6	-177.9	3.5	111.4	D115 P205 T209 E285 W297	D115-R207 IonicContact OD2-NH2 3.28Å; D115-R207 PolarHBondContact OD2-NH2 3.37Å; P205-R207 PolarHBondContact O-N 3.31Å; R207-T209 VanDerWaalsContact O-CG2 3.26Å; R207-T209 WeakPolarHBondContact O-CG2 3.48Å; R207-T209 PolarHBondContact O-N 3.05Å; R207-E285 HydrophobicContact CB-CB 3.47Å; R207-E285 VanDerWaalsContact CB-CB 3.47Å; R207-E285 HydrophobicContact CB-CG 4.42Å; R207-W297 HydrophobicContact CB-CZ3 4.3Å; R207-W297 HydrophobicContact CG-CE3 4.34Å; R207-W297 HydrophobicContact CG-CH2 4.25Å; R207-W297 HydrophobicContact CG-CZ3 3.87Å; R207-W297 VanDerWaalsContact CZ-CE2 3.4Å
208	Y	91.1	Very high	87.6	Confident	46 Å²	46	47.8 Å²	47.8	18%	0.18	24%	0.235	C	C	.	.			trans	-58.3	121.5	179	177	-100.5	0	0	0	113.3	I113 L282 E285 F286 L287 W297	I113-Y208 WeakPolarHBondContact CD1-O 3.39Å; I113-Y208 HydrophobicContact CG2-CE1 4.4Å; Y208-L282 HydrophobicContact CD2-CB 4.45Å; Y208-E285 WeakPolarHBondContact CB-O 3.48Å; Y208-E285 PolarHBondContact N-O 2.99Å; Y208-F286 HydrophobicContact CD1-CE2 4.44Å; Y208-F286 AromaticContact CD2-CD2 3.65Å; Y208-F286 HydrophobicContact CD2-CD2 3.65Å; Y208-F286 AromaticContact CD2-CE2 3.37Å; Y208-F286 HydrophobicContact CD2-CE2 3.37Å; Y208-F286 HydrophobicContact CD2-CZ 4.09Å; Y208-F286 HydrophobicContact CE1-CE2 4.46Å; Y208-F286 HydrophobicContact CE1-CZ 4.25Å; Y208-F286 HydrophobicContact CE2-CD2 4.16Å; Y208-F286 AromaticContact CE2-CE2 3.39Å; Y208-F286 HydrophobicContact CE2-CE2 3.39Å; Y208-F286 AromaticContact CE2-CZ 3.78Å; Y208-F286 HydrophobicContact CE2-CZ 3.78Å; Y208-F286 AromaticContact CG-CD2 3.86Å; Y208-F286 HydrophobicContact CG-CD2 3.86Å; Y208-F286 AromaticContact CG-CE2 3.91Å; Y208-F286 HydrophobicContact CG-CE2 3.91Å; Y208-F286 HydrophobicContact CG-CG 4.37Å; Y208-F286 HydrophobicContact CG-CZ 4.44Å; Y208-F286 AromaticContact CZ-CE2 3.94Å; Y208-F286 AromaticContact CZ-CZ 3.84Å; Y208-L287 HydrophobicContact CD1-CB 3.91Å; Y208-L287 HydrophobicContact CE1-CB 4.41Å; Y208-W297 WeakPolarHBondContact O-CH2 3.24Å; Y208-W297 WeakPolarHBondContact O-CZ3 3.32Å
209	T	88.6	Confident	88.1	Confident	12 Å²	12	45.5 Å²	45.5	7%	0.074	23%	0.227	C	C	.	.			trans	-75.7	-39.7	175.5	125.7	0	0	0	0	121.8	C111 I113 R207 Y211 C414 K416 C417	C111-T209 PolarHBondContact SG-OG1 3.17Å; I113-T209 VanDerWaalsContact CG1-O 3.29Å; I113-T209 WeakPolarHBondContact CG1-O 3.32Å; R207-T209 VanDerWaalsContact O-CG2 3.26Å; R207-T209 WeakPolarHBondContact O-CG2 3.48Å; R207-T209 PolarHBondContact O-N 3.05Å; T209-Y211 PolarHBondContact O-N 3.48Å; T209-C414 PolarHBondContact OG1-SG 3.32Å; T209-K416 HydrophobicContact CG2-CB 4.29Å; T209-C417 PolarHBondContact OG1-SG 2.84Å
210	G	86.1	Confident	88.5	Confident	2 Å²	2	47.3 Å²	47.3	2%	0.021	23%	0.234	C	C	.	.			trans	66.6	-9.2	-147.1	0	0	0	0	0	115.5	S112 K212	S112-G210 PolarHBondContact OG-O 3.31Å; G210-K212 WeakPolarHBondContact O-CG 3.31Å; G210-K212 PolarHBondContact O-N 2.89Å
211	Y	86.8	Confident	88.7	Confident	47 Å²	47	49 Å²	49	18%	0.184	24%	0.243	C	C	.	.			trans	-62.8	115.8	177.1	-173.6	-121.2	0	0	0	111.6	T209 S215 A216 V412 C414	T209-Y211 PolarHBondContact O-N 3.48Å; Y211-S215 PolarHBondContact OH-OG 3.35Å; Y211-A216 HydrophobicContact CD1-CB 3.9Å; Y211-A216 HydrophobicContact CE1-CB 3.56Å; Y211-A216 PolarHBondContact OH-N 3.4Å; Y211-V412 HydrophobicContact CE1-CG1 4.11Å; Y211-C414 HydrophobicContact CD1-CB 4.1Å; Y211-C414 HydrophobicContact CD2-CB 3.9Å; Y211-C414 HydrophobicContact CE2-CB 4.44Å; Y211-C414 HydrophobicContact CG-CB 3.71Å
212	K	86.2	Confident	88.7	Confident	146 Å²	146	49.8 Å²	49.8	64%	0.635	25%	0.248	S	C	*	.			trans	-158.8	177.5	-171.4	68.6	-169.5	175.3	-177.1	0	111.9	G210	G210-K212 WeakPolarHBondContact O-CG 3.31Å; G210-K212 PolarHBondContact O-N 2.89Å
213	G	86.9	Confident	88.8	Confident	23 Å²	23	46.1 Å²	46.1	24%	0.237	23%	0.229	C	C	.	.	S	Bend	trans	80.1	-158.1	172.2	0	0	0	0	0	113.7	S215 A216 W217	G213-S215 VanDerWaalsContact C-N 3.3Å; G213-S215 PolarHBondContact O-N 2.96Å; G213-A216 PolarHBondContact O-N 2.87Å; G213-W217 VanDerWaalsContact O-CG 3.25Å; G213-W217 PolarHBondContact O-N 3.03Å
214	A	85.4	Confident	88.8	Confident	66 Å²	66	41.5 Å²	41.5	55%	0.545	20%	0.204	S	C	.	.	H	α-helix	trans	-58.8	-36.6	-169	0	0	0	0	0	113.9	W217 R218	A214-W217 PolarHBondContact O-N 3.31Å; A214-R218 WeakPolarHBondContact O-CB 3.46Å; A214-R218 PolarHBondContact O-N 2.93Å
215	S	86.9	Confident	88.6	Confident	12 Å²	12	46.4 Å²	46.4	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-48.6	178.7	-167.1	0	0	0	0	111.3	D108 Y211 G213 W217 R218 V219	D108-S215 PolarHBondContact OD1-OG 2.66Å; Y211-S215 PolarHBondContact OH-OG 3.35Å; G213-S215 VanDerWaalsContact C-N 3.3Å; G213-S215 PolarHBondContact O-N 2.96Å; S215-W217 PolarHBondContact O-N 3.21Å; S215-R218 PolarHBondContact O-N 3.37Å; S215-V219 PolarHBondContact O-N 3.15Å
216	A	88.4	Confident	88.2	Confident	9 Å²	9	46.3 Å²	46.3	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-40.6	175.6	0	0	0	0	0	112.7	Y211 G213 V219 W220	Y211-A216 HydrophobicContact CD1-CB 3.9Å; Y211-A216 HydrophobicContact CE1-CB 3.56Å; Y211-A216 PolarHBondContact OH-N 3.4Å; G213-A216 PolarHBondContact O-N 2.87Å; A216-V219 PolarHBondContact O-N 3.29Å; A216-W220 PolarHBondContact O-N 3.43Å; A216-W220 VanDerWaalsContact O-N 3.16Å
217	W	88.7	Confident	87.1	Confident	158 Å²	158	46.4 Å²	46.4	60%	0.598	22%	0.223	S	C	*	.	H	α-helix	trans	-65.8	-39.1	177.1	-61.6	-24.5	0	0	0	112.4	G213 A214 S215 W220 N221	G213-W217 VanDerWaalsContact O-CG 3.25Å; G213-W217 PolarHBondContact O-N 3.03Å; A214-W217 PolarHBondContact O-N 3.31Å; S215-W217 PolarHBondContact O-N 3.21Å; W217-W220 PolarHBondContact O-N 3.36Å; W217-N221 VanDerWaalsContact O-CB 3.28Å; W217-N221 WeakPolarHBondContact O-CB 3.34Å; W217-N221 PolarHBondContact O-N 2.95Å; W217-N221 PolarHBondContact O-ND2 3.23Å
218	R	88.8	Confident	85.8	Confident	86 Å²	86	48.5 Å²	48.5	33%	0.325	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-49.7	175.9	-172.2	-173.8	-58.4	155.6	10.2	110.8	W105 D108 A214 S215 W220 N221 S222	W105-R218 HydrophobicContact CH2-CG 4.22Å; W105-R218 HydrophobicContact CZ2-CG 4.15Å; W105-R218 HydrophobicContact CZ3-CG 4.46Å; D108-R218 IonicContact OD1-NH1 3.89Å; D108-R218 IonicContact OD2-CZ 2.76Å; D108-R218 IonicContact OD2-NH1 2.76Å; D108-R218 PolarHBondContact OD2-NH1 3.48Å; D108-R218 IonicContact OD2-NH2 2.8Å; D108-R218 PolarHBondContact OD2-NH2 3.11Å; A214-R218 WeakPolarHBondContact O-CB 3.46Å; A214-R218 PolarHBondContact O-N 2.93Å; S215-R218 PolarHBondContact O-N 3.37Å; R218-W220 PolarHBondContact O-N 2.73Å; R218-N221 PolarHBondContact O-N 3.13Å; R218-S222 PolarHBondContact O-N 2.89Å; R218-S222 PolarHBondContact O-OG 2Å; R218-S222 VanDerWaalsContact O-OG 3.09Å
219	V	91	Very high	84.3	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.036	24%	0.238	C	C	.	.	H	α-helix	trans	-55.2	-53.8	177.4	170.6	0	0	0	0	111	W105 S215 A216 N221 S222 I223 I408 V412	W105-V219 HydrophobicContact CZ2-CG2 4.1Å; S215-V219 PolarHBondContact O-N 3.15Å; A216-V219 PolarHBondContact O-N 3.29Å; V219-N221 PolarHBondContact O-N 3.2Å; V219-S222 PolarHBondContact O-N 3.44Å; V219-I223 HydrophobicContact CG1-CD1 3.85Å; V219-I223 WeakPolarHBondContact O-CG1 3.41Å; V219-I223 PolarHBondContact O-N 3.18Å; V219-I408 HydrophobicContact CG1-CG2 4.13Å; V219-V412 HydrophobicContact CG1-CG2 3.85Å; V219-V412 HydrophobicContact CG2-CG2 4.12Å
220	W	92.2	Very high	82.4	Confident	42 Å²	42	55 Å²	55	16%	0.159	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-42	-179.1	-80.9	116.8	0	0	0	112.6	A216 W217 R218 S222 I223 Y224 I271 H275 I278	A216-W220 PolarHBondContact O-N 3.43Å; A216-W220 VanDerWaalsContact O-N 3.16Å; W217-W220 PolarHBondContact O-N 3.36Å; R218-W220 PolarHBondContact O-N 2.73Å; W220-S222 VanDerWaalsContact C-N 3.34Å; W220-S222 PolarHBondContact O-N 2.77Å; W220-I223 HydrophobicContact CE3-CD1 4.06Å; W220-I223 HydrophobicContact CZ3-CD1 4.21Å; W220-I223 PolarHBondContact O-N 2.83Å; W220-Y224 HydrophobicContact CE3-CE2 4.01Å; W220-Y224 WeakPolarHBondContact O-CD2 3.34Å; W220-Y224 PolarHBondContact O-N 3.48Å; W220-I271 HydrophobicContact CE3-CG2 4.43Å; W220-I271 HydrophobicContact CZ3-CG2 4.02Å; W220-H275 AromaticContact CD1-CE1 3.73Å; W220-H275 AromaticContact CD1-NE2 3.93Å; W220-H275 AromaticContact CD2-CE1 3.71Å; W220-H275 AromaticContact CD2-CG 3.91Å; W220-H275 AromaticContact CD2-ND1 3.54Å; W220-H275 AromaticContact CE2-CD2 3.57Å; W220-H275 AromaticContact CE2-CE1 3.72Å; W220-H275 AromaticContact CE2-CG 3.66Å; W220-H275 AromaticContact CE2-ND1 3.72Å; W220-H275 AromaticContact CE2-NE2 3.69Å; W220-H275 HydrophobicContact CE3-CB 4.23Å; W220-H275 AromaticContact CE3-ND1 3.77Å; W220-H275 AromaticContact CG-CE1 3.73Å; W220-H275 AromaticContact CG-ND1 3.98Å; W220-H275 HydrophobicContact CH2-CB 3.52Å; W220-H275 AromaticContact CH2-CG 3.75Å; W220-H275 HydrophobicContact CZ2-CB 3.86Å; W220-H275 AromaticContact CZ2-CD2 3.55Å; W220-H275 AromaticContact CZ2-CG 3.59Å; W220-H275 HydrophobicContact CZ3-CB 3.72Å; W220-H275 AromaticContact CZ3-CG 3.97Å; W220-H275 AromaticContact NE1-CD2 3.83Å; W220-H275 AromaticContact NE1-CE1 3.69Å; W220-H275 AromaticContact NE1-NE2 3.51Å; W220-I278 HydrophobicContact CH2-CD1 3.83Å; W220-I278 HydrophobicContact CZ2-CD1 3.74Å
221	N	88	Confident	80.6	Confident	44 Å²	44	59.5 Å²	59.5	24%	0.235	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-46.7	177.1	-73.3	-17.6	0	0	0	110.9	W217 R218 V219 I223 Y224 E225	W217-N221 VanDerWaalsContact O-CB 3.28Å; W217-N221 WeakPolarHBondContact O-CB 3.34Å; W217-N221 PolarHBondContact O-N 2.95Å; W217-N221 PolarHBondContact O-ND2 3.23Å; R218-N221 PolarHBondContact O-N 3.13Å; V219-N221 PolarHBondContact O-N 3.2Å; N221-I223 PolarHBondContact O-N 3.38Å; N221-Y224 PolarHBondContact O-N 3.41Å; N221-E225 WeakPolarHBondContact O-CB 3.38Å; N221-E225 WeakPolarHBondContact O-CG 3.25Å; N221-E225 PolarHBondContact O-N 3.37Å
222	S	89.5	Confident	78.6	Confident	23 Å²	23	69.8 Å²	69.8	16%	0.161	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-42.5	176	-59.8	0	0	0	0	112.4	R218 V219 W220 Y224 E225 E226	R218-S222 PolarHBondContact O-N 2.89Å; R218-S222 PolarHBondContact O-OG 2Å; R218-S222 VanDerWaalsContact O-OG 3.09Å; V219-S222 PolarHBondContact O-N 3.44Å; W220-S222 VanDerWaalsContact C-N 3.34Å; W220-S222 PolarHBondContact O-N 2.77Å; S222-Y224 PolarHBondContact O-N 2.94Å; S222-E225 PolarHBondContact O-N 3.24Å; S222-E226 PolarHBondContact O-N 2.91Å; S222-E226 VanDerWaalsContact O-N 3.15Å
223	I	89.6	Confident	76.6	Confident	2 Å²	2	68 Å²	68	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-44.7	176.2	-65.9	168.6	0	0	0	111.1	V219 W220 N221 E225 E226 I271 I405 I408 M409	V219-I223 HydrophobicContact CG1-CD1 3.85Å; V219-I223 WeakPolarHBondContact O-CG1 3.41Å; V219-I223 PolarHBondContact O-N 3.18Å; W220-I223 HydrophobicContact CE3-CD1 4.06Å; W220-I223 HydrophobicContact CZ3-CD1 4.21Å; W220-I223 PolarHBondContact O-N 2.83Å; N221-I223 PolarHBondContact O-N 3.38Å; I223-E225 VanDerWaalsContact C-N 3.3Å; I223-E225 PolarHBondContact O-N 2.83Å; I223-E226 WeakPolarHBondContact O-CB 3.36Å; I223-E226 PolarHBondContact O-N 3.36Å; I223-I271 HydrophobicContact CG2-CD1 4.03Å; I223-I271 HydrophobicContact CG2-CG1 4.25Å; I223-I271 HydrophobicContact CG2-CG2 3.6Å; I223-I405 HydrophobicContact CG1-CG2 4.42Å; I223-I405 HydrophobicContact CG2-CD1 4.26Å; I223-I405 HydrophobicContact CG2-CG1 4.16Å; I223-I405 HydrophobicContact CG2-CG2 4.49Å; I223-I408 HydrophobicContact CD1-CG2 4.41Å; I223-I408 HydrophobicContact CG1-CB 4.44Å; I223-I408 HydrophobicContact CG1-CD1 4.38Å; I223-I408 HydrophobicContact CG1-CG2 3.85Å; I223-M409 HydrophobicContact CD1-CE 3.62Å; I223-M409 HydrophobicContact CD1-SD 4.48Å
224	Y	86.1	Confident	74.6	Confident	27 Å²	27	70.8 Å²	70.8	11%	0.106	36%	0.358	C	S	.	.	H	α-helix	trans	-69.9	-28	177.8	-79.5	-70.3	0	0	0	112.9	W220 N221 S222 E226 N227 Y268 I271 S272 H275	W220-Y224 HydrophobicContact CE3-CE2 4.01Å; W220-Y224 WeakPolarHBondContact O-CD2 3.34Å; W220-Y224 PolarHBondContact O-N 3.48Å; N221-Y224 PolarHBondContact O-N 3.41Å; S222-Y224 PolarHBondContact O-N 2.94Å; Y224-E226 VanDerWaalsContact C-N 3.28Å; Y224-N227 VanDerWaalsContact O-CB 3.23Å; Y224-N227 WeakPolarHBondContact O-CB 3.12Å; Y224-N227 PolarHBondContact O-N 3.48Å; Y224-Y268 AromaticContact CD1-CD2 3.86Å; Y224-Y268 HydrophobicContact CD1-CD2 3.86Å; Y224-Y268 HydrophobicContact CD1-CE2 4.11Å; Y224-Y268 AromaticContact CE1-CD2 3.76Å; Y224-Y268 HydrophobicContact CE1-CD2 3.76Å; Y224-Y268 AromaticContact CE1-CE2 3.79Å; Y224-Y268 HydrophobicContact CE1-CE2 3.79Å; Y224-I271 HydrophobicContact CD1-CB 4.42Å; Y224-I271 HydrophobicContact CD1-CG2 3.93Å; Y224-I271 HydrophobicContact CD2-CG2 4.49Å; Y224-I271 HydrophobicContact CE1-CB 3.98Å; Y224-I271 HydrophobicContact CE1-CG2 3.55Å; Y224-I271 HydrophobicContact CE2-CG2 4.12Å; Y224-I271 HydrophobicContact CG-CG2 4.39Å; Y224-S272 VanDerWaalsContact OH-CA 3.22Å; Y224-S272 WeakPolarHBondContact OH-CA 3.01Å; Y224-H275 AromaticContact CE2-ND1 3.95Å
225	E	83.8	Confident	72.7	Confident	110 Å²	110	77.4 Å²	77.4	51%	0.514	37%	0.37	S	S	.	.	H	α-helix	trans	-73	-19.3	176	-76	166.6	-173.6	0	0	112.8	N221 S222 I223 N227 C228	N221-E225 WeakPolarHBondContact O-CB 3.38Å; N221-E225 WeakPolarHBondContact O-CG 3.25Å; N221-E225 PolarHBondContact O-N 3.37Å; S222-E225 PolarHBondContact O-N 3.24Å; I223-E225 VanDerWaalsContact C-N 3.3Å; I223-E225 PolarHBondContact O-N 2.83Å; E225-N227 PolarHBondContact O-N 2.81Å; E225-N227 VanDerWaalsContact O-N 3.12Å; E225-C228 PolarHBondContact O-SG 3.02Å
226	E	82.8	Confident	70.8	Confident	44 Å²	44	79.4 Å²	79.4	21%	0.206	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.2	168.4	-71.4	-61.2	133.8	0	0	112.8	S222 I223 Y224 C228 F267 H401 N404 I405 I408	S222-E226 PolarHBondContact O-N 2.91Å; S222-E226 VanDerWaalsContact O-N 3.15Å; I223-E226 WeakPolarHBondContact O-CB 3.36Å; I223-E226 PolarHBondContact O-N 3.36Å; Y224-E226 VanDerWaalsContact C-N 3.28Å; E226-C228 PolarHBondContact O-N 3.49Å; E226-F267 HydrophobicContact CB-CE1 4.43Å; E226-F267 HydrophobicContact CB-CZ 4.01Å; E226-H401 PolarHBondContact O-CE1 2.9Å; E226-H401 PolarHBondContact O-ND1 3.47Å; E226-H401 IonicContact OE2-ND1 3.48Å; E226-N404 HydrophobicContact CG-CB 4.29Å; E226-N404 VanDerWaalsContact OE2-CB 3.28Å; E226-N404 WeakPolarHBondContact OE2-CB 3.42Å; E226-N404 PolarHBondContact OE2-ND2 3.1Å; E226-I405 HydrophobicContact CG-CG1 4.36Å; E226-I408 HydrophobicContact CG-CD1 3.9Å
227	N	70.5	Confident	69.1	Low	20 Å²	20	82.3 Å²	82.3	11%	0.107	39%	0.394	C	S	.	.			trans	-70.5	36.7	176.3	-161.9	6.7	0	0	0	114.3	Y224 E225 F229 K264 F267	Y224-N227 VanDerWaalsContact O-CB 3.23Å; Y224-N227 WeakPolarHBondContact O-CB 3.12Å; Y224-N227 PolarHBondContact O-N 3.48Å; E225-N227 PolarHBondContact O-N 2.81Å; E225-N227 VanDerWaalsContact O-N 3.12Å; N227-F229 WeakPolarHBondContact OD1-CE2 3.3Å; N227-K264 PolarHBondContact ND2-O 3.18Å; N227-K264 VanDerWaalsContact OD1-CA 3.24Å; N227-K264 WeakPolarHBondContact OD1-CA 3.2Å; N227-K264 PolarHBondContact OD1-O 3.3Å; N227-F267 HydrophobicContact CB-CD1 3.51Å; N227-F267 HydrophobicContact CB-CE1 3.77Å; N227-F267 HydrophobicContact CB-CG 4.5Å
228	C	65.1	Low	67	Low	94 Å²	94	82.2 Å²	82.2	64%	0.635	40%	0.404	S	S	*	.			trans	-105.7	61.9	-177.4	-73.2	0	0	0	0	112.1	E225 E226 K230	E225-C228 PolarHBondContact O-SG 3.02Å; E226-C228 PolarHBondContact O-N 3.49Å; C228-K230 PolarHBondContact O-N 3.01Å
229	F	58.8	Low	65.1	Low	12 Å²	12	82.1 Å²	82.1	5%	0.053	41%	0.41	C	S	.	.			trans	-60.9	129.1	164.3	-57.8	-103.8	0	0	0	108.6	N227 E263 K264 F267 L394 E397 F398 H401	N227-F229 WeakPolarHBondContact OD1-CE2 3.3Å; F229-E263 HydrophobicContact CD1-CB 4.44Å; F229-E263 HydrophobicContact CE1-CB 4.34Å; F229-E263 HydrophobicContact CZ-CB 4.48Å; F229-K264 HydrophobicContact CB-CG 4.21Å; F229-K264 HydrophobicContact CD2-CG 3.71Å; F229-K264 HydrophobicContact CG-CG 4.28Å; F229-K264 WeakPolarHBondContact O-CE 3.39Å; F229-K264 PolarHBondContact O-NZ 3.32Å; F229-F267 HydrophobicContact CE2-CB 3.95Å; F229-F267 HydrophobicContact CE2-CG 4.26Å; F229-F267 HydrophobicContact CZ-CB 4.33Å; F229-L394 HydrophobicContact CD1-CD1 4.43Å; F229-L394 HydrophobicContact CE1-CD1 3.93Å; F229-E397 HydrophobicContact CD1-CB 3.84Å; F229-E397 HydrophobicContact CD1-CG 4.43Å; F229-E397 WeakPolarHBondContact CD1-OE2 3.44Å; F229-E397 HydrophobicContact CE1-CB 3.73Å; F229-F398 HydrophobicContact CE1-CD2 4.29Å; F229-F398 HydrophobicContact CE1-CE2 4.29Å; F229-F398 HydrophobicContact CZ-CD1 4.36Å; F229-F398 HydrophobicContact CZ-CD2 4.36Å; F229-F398 HydrophobicContact CZ-CE1 4.14Å; F229-F398 HydrophobicContact CZ-CE2 4.14Å; F229-F398 HydrophobicContact CZ-CG 4.47Å; F229-F398 HydrophobicContact CZ-CZ 4.01Å; F229-H401 AromaticContact CD1-NE2 3.83Å; F229-H401 AromaticContact CD2-NE2 3.95Å; F229-H401 AromaticContact CE1-CD2 3.7Å; F229-H401 AromaticContact CE1-NE2 3.77Å; F229-H401 AromaticContact CE2-CD2 3.94Å; F229-H401 AromaticContact CE2-NE2 3.91Å; F229-H401 AromaticContact CG-NE2 3.93Å; F229-H401 AromaticContact CZ-CD2 3.53Å; F229-H401 AromaticContact CZ-NE2 3.82Å
230	K	49.2	Very low	63.1	Low	182 Å²	182	84.3 Å²	84.3	79%	0.791	42%	0.424	S	S	*	.	S	Bend	trans	-59.2	155.9	-172.1	-75.6	-173.6	-179.2	176.2	0	112.6	C228	C228-K230 PolarHBondContact O-N 3.01Å
231	P	47.3	Very low	60.8	Low	97 Å²	97	87 Å²	87	63%	0.63	44%	0.442	S	S	*	.			cis	-118.1	130.2	3.5	33.2	-16.8	0	0	0	114.3	S233	P231-S233 VanDerWaalsContact C-N 3.27Å; P231-S233 PolarHBondContact O-N 3.33Å; P231-S233 PolarHBondContact O-OG 3.45Å
232	R	46	Very low	58.9	Low	263 Å²	263	87.1 Å²	87.1	99%	0.992	45%	0.448	S	S	*	.			trans	25.4	12	142.6	-71.8	-173.7	175.5	171.1	-1.8	123.9
233	S	42.8	Very low	56.6	Low	107 Å²	107	91.5 Å²	91.5	75%	0.748	48%	0.476	S	S	*	.			trans	-102.5	-5.8	-176	58.7	0	0	0	0	115.4	P231	P231-S233 VanDerWaalsContact C-N 3.27Å; P231-S233 PolarHBondContact O-N 3.33Å; P231-S233 PolarHBondContact O-OG 3.45Å
234	V	46.1	Very low	54.3	Low	82 Å²	82	95 Å²	95	50%	0.497	50%	0.501	S	S	.	.			trans	-123.9	104.6	-172.5	-163.1	0	0	0	0	110.9
235	Y	45.3	Very low	52.4	Low	206 Å²	206	106.3 Å²	106.3	81%	0.808	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-72.5	123.4	175.3	-138.6	-94.5	0	0	0	109
236	R	48	Very low	50.7	Low	54 Å²	54	103.6 Å²	103.6	20%	0.204	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-65.6	139.7	174	-168.3	-168.3	-173.4	171.7	7.4	109	L238 W256	R236-L238 PolarHBondContact O-N 3.5Å; R236-W256 HydrophobicContact CG-CH2 4.26Å
237	P	52.6	Low	49	Very low	70 Å²	70	109.8 Å²	109.8	46%	0.455	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-57.2	126	163	-19.4	30.9	0	0	0	109.1	N239	P237-N239 PolarHBondContact O-N 2.89Å; P237-N239 VanDerWaalsContact O-N 3.16Å
238	L	44.7	Very low	48	Very low	155 Å²	155	113.1 Å²	113.1	81%	0.812	60%	0.597	S	S	*	*	S	Bend	trans	-61.9	118.6	-177.2	-76.1	159.6	0	0	0	109.9	R236	R236-L238 PolarHBondContact O-N 3.5Å
239	N	47.5	Very low	47.4	Very low	85 Å²	85	114.5 Å²	114.5	46%	0.455	60%	0.599	S	S	.	*			trans	79.8	102.2	168.3	-155.7	0.7	0	0	0	117.4	P237 L241 A242	P237-N239 PolarHBondContact O-N 2.89Å; P237-N239 VanDerWaalsContact O-N 3.16Å; N239-L241 PolarHBondContact O-N 3.43Å; N239-L241 VanDerWaalsContact O-N 3.16Å; N239-L241 PolarHBondContact OD1-N 3.4Å; N239-A242 HydrophobicContact CB-CB 3.93Å; N239-A242 PolarHBondContact O-N 2.93Å
240	P	48.8	Very low	47.1	Very low	52 Å²	52	115.4 Å²	115.4	34%	0.338	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-1.4	174.9	32.6	-37.8	0	0	0	114.4
241	L	44.9	Very low	47.5	Very low	99 Å²	99	112.3 Å²	112.3	52%	0.518	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119	-0.2	-179	-65.4	174.4	0	0	0	113.3	N239	N239-L241 PolarHBondContact O-N 3.43Å; N239-L241 VanDerWaalsContact O-N 3.16Å; N239-L241 PolarHBondContact OD1-N 3.4Å
242	A	47.2	Very low	48	Very low	45 Å²	45	109.3 Å²	109.3	37%	0.372	59%	0.586	S	S	.	*	S	Bend	trans	-83.7	130.9	171.4	0	0	0	0	0	109.2	N239 S244	N239-A242 HydrophobicContact CB-CB 3.93Å; N239-A242 PolarHBondContact O-N 2.93Å; A242-S244 PolarHBondContact O-N 3.05Å
243	P	40.6	Very low	49	Very low	115 Å²	115	98.2 Å²	98.2	75%	0.747	55%	0.545	S	S	*	.			trans	-62.9	113.2	160.2	17.8	-13	0	0	0	106.4	R245	P243-R245 PolarHBondContact O-N 3.17Å
244	S	43	Very low	49.9	Very low	77 Å²	77	94.5 Å²	94.5	54%	0.538	52%	0.515	S	S	.	.			trans	-49.4	130.2	169.5	-69.6	0	0	0	0	108.1	A242 G246	A242-S244 PolarHBondContact O-N 3.05Å; S244-G246 PolarHBondContact O-N 2.83Å
245	R	44.8	Very low	50.6	Low	264 Å²	264	98.1 Å²	98.1	100%	0.996	52%	0.524	S	S	*	.	S	Bend	trans	-65.3	90.5	164.8	-91.4	-179.4	162.1	170.6	-4.7	107.2	P243	P243-R245 PolarHBondContact O-N 3.17Å
246	G	48.7	Very low	51.6	Low	53 Å²	53	91.3 Å²	91.3	55%	0.546	50%	0.497	S	S	.	.	S	Bend	trans	152.5	157	177.6	0	0	0	0	0	112.4	S244 D248	S244-G246 PolarHBondContact O-N 2.83Å; G246-D248 PolarHBondContact O-N 3.47Å
247	D	47.3	Very low	52.3	Low	174 Å²	174	89.1 Å²	89.1	93%	0.93	49%	0.489	S	S	*	.	S	Bend	trans	-67.8	57.4	172.1	-64	-37.9	0	0	0	111.2
248	D	48.6	Very low	52.6	Low	90 Å²	90	91.9 Å²	91.9	48%	0.481	50%	0.496	S	S	.	.			trans	-114.9	116.7	172.8	-175.7	27.5	0	0	0	109	G246 G250	G246-D248 PolarHBondContact O-N 3.47Å; D248-G250 PolarHBondContact O-N 3.21Å
249	D	53.3	Low	53	Low	123 Å²	123	87.7 Å²	87.7	66%	0.658	49%	0.49	S	S	*	.			trans	-73.4	13.9	-164	-39.9	-21.1	0	0	0	113.1	E251	D249-E251 HydrophobicContact CB-CG 4.39Å; D249-E251 PolarHBondContact O-N 3.3Å
250	G	52.8	Low	53.6	Low	30 Å²	30	84.6 Å²	84.6	31%	0.309	47%	0.473	S	S	.	.	S	Bend	trans	72.2	-0.5	-169.4	0	0	0	0	0	113.8	D248 G252 F253 Y254	D248-G250 PolarHBondContact O-N 3.21Å; G250-G252 VanDerWaalsContact C-N 3.29Å; G250-G252 PolarHBondContact O-N 3.42Å; G250-F253 PolarHBondContact O-N 2.98Å; G250-Y254 WeakPolarHBondContact O-CD2 3.47Å
251	E	57.2	Low	54.3	Low	118 Å²	118	85.9 Å²	85.9	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-63.8	-32.1	177.5	-77.3	-151.1	167.9	0	0	112.8	D249 F253 Y254 K255	D249-E251 HydrophobicContact CB-CG 4.39Å; D249-E251 PolarHBondContact O-N 3.3Å; E251-F253 VanDerWaalsContact C-N 3.27Å; E251-F253 PolarHBondContact O-N 3.48Å; E251-Y254 PolarHBondContact O-N 3.28Å; E251-Y254 VanDerWaalsContact O-N 3.15Å; E251-K255 VanDerWaalsContact O-CB 3.31Å; E251-K255 WeakPolarHBondContact O-CB 3.41Å; E251-K255 PolarHBondContact O-N 3.32Å
252	G	57.5	Low	55.2	Low	34 Å²	34	83.9 Å²	83.9	35%	0.351	47%	0.472	S	S	.	.	H	α-helix	trans	-57.1	-36.9	179.9	0	0	0	0	0	113.9	G250 W256	G250-G252 VanDerWaalsContact C-N 3.29Å; G250-G252 PolarHBondContact O-N 3.42Å; G252-W256 VanDerWaalsContact O-CB 3.27Å; G252-W256 WeakPolarHBondContact O-CB 2.92Å; G252-W256 PolarHBondContact O-N 3.3Å
253	F	66.5	Low	56.1	Low	29 Å²	29	84.9 Å²	84.9	13%	0.127	47%	0.469	C	S	.	.	H	α-helix	trans	-70.7	-41.3	177	175.4	-99.8	0	0	0	112.3	G250 E251 W256 L257 Y268	G250-F253 PolarHBondContact O-N 2.98Å; E251-F253 VanDerWaalsContact C-N 3.27Å; E251-F253 PolarHBondContact O-N 3.48Å; F253-W256 AromaticContact CD2-CE3 3.95Å; F253-W256 HydrophobicContact CD2-CE3 3.95Å; F253-W256 HydrophobicContact CD2-CZ3 4.22Å; F253-W256 AromaticContact CE2-CE3 3.78Å; F253-W256 HydrophobicContact CE2-CE3 3.78Å; F253-W256 AromaticContact CE2-CZ3 3.58Å; F253-W256 HydrophobicContact CE2-CZ3 3.58Å; F253-W256 HydrophobicContact CZ-CE3 4.45Å; F253-W256 HydrophobicContact CZ-CZ3 4.15Å; F253-W256 WeakPolarHBondContact O-CB 3.49Å; F253-W256 PolarHBondContact O-N 3.27Å; F253-L257 HydrophobicContact CE1-CD2 4.43Å; F253-L257 WeakPolarHBondContact O-CB 3.29Å; F253-L257 PolarHBondContact O-N 2.97Å; F253-Y268 HydrophobicContact CE1-CE1 4.49Å; F253-Y268 HydrophobicContact CE1-CE2 4.05Å; F253-Y268 AromaticContact CE1-CZ 3.84Å; F253-Y268 HydrophobicContact CZ-CD2 4.46Å; F253-Y268 AromaticContact CZ-CE2 3.93Å; F253-Y268 HydrophobicContact CZ-CE2 3.93Å
254	Y	63.5	Low	57.4	Low	29 Å²	29	80.9 Å²	80.9	11%	0.114	44%	0.44	C	S	.	.	H	α-helix	trans	-75.6	-37.2	-179.2	-73.4	-84.3	0	0	0	112.1	G250 E251 W256 L257 E258 Y268 E316	G250-Y254 WeakPolarHBondContact O-CD2 3.47Å; E251-Y254 PolarHBondContact O-N 3.28Å; E251-Y254 VanDerWaalsContact O-N 3.15Å; Y254-W256 VanDerWaalsContact C-N 3.26Å; Y254-W256 PolarHBondContact O-N 3.17Å; Y254-L257 HydrophobicContact CD1-CD2 4.04Å; Y254-L257 HydrophobicContact CE1-CD2 4.31Å; Y254-L257 CarbonylContact O-C 3.49Å; Y254-L257 WeakPolarHBondContact O-CB 3.4Å; Y254-L257 PolarHBondContact O-N 2.94Å; Y254-L257 VanDerWaalsContact O-N 3.12Å; Y254-E258 WeakPolarHBondContact O-CB 3.49Å; Y254-E258 WeakPolarHBondContact O-CG 3.49Å; Y254-E258 PolarHBondContact O-N 2.77Å; Y254-Y268 HydrophobicContact CE1-CE1 4.43Å; Y254-E316 WeakPolarHBondContact CE2-OE1 3.48Å; Y254-E316 WeakPolarHBondContact CE2-OE2 3.45Å; Y254-E316 PolarHBondContact OH-OE2 3.22Å
255	K	60.1	Low	58.9	Low	158 Å²	158	80 Å²	80	69%	0.687	43%	0.425	S	S	*	.	H	α-helix	trans	-60.8	-37.4	169.3	-172	174.2	-177.5	173.7	0	111.8	E251 G259	E251-K255 VanDerWaalsContact O-CB 3.31Å; E251-K255 WeakPolarHBondContact O-CB 3.41Å; E251-K255 PolarHBondContact O-N 3.32Å; K255-G259 PolarHBondContact O-N 2.96Å; K255-G259 VanDerWaalsContact O-N 3.1Å
256	W	66.2	Low	60.5	Low	63 Å²	63	67.7 Å²	67.7	24%	0.239	38%	0.379	C	S	.	.	H	α-helix	trans	-64.9	-47.1	170.1	169.8	84.5	0	0	0	112.1	R236 G252 F253 Y254 E258 G259 L260	R236-W256 HydrophobicContact CG-CH2 4.26Å; G252-W256 VanDerWaalsContact O-CB 3.27Å; G252-W256 WeakPolarHBondContact O-CB 2.92Å; G252-W256 PolarHBondContact O-N 3.3Å; F253-W256 AromaticContact CD2-CE3 3.95Å; F253-W256 HydrophobicContact CD2-CE3 3.95Å; F253-W256 HydrophobicContact CD2-CZ3 4.22Å; F253-W256 AromaticContact CE2-CE3 3.78Å; F253-W256 HydrophobicContact CE2-CE3 3.78Å; F253-W256 AromaticContact CE2-CZ3 3.58Å; F253-W256 HydrophobicContact CE2-CZ3 3.58Å; F253-W256 HydrophobicContact CZ-CE3 4.45Å; F253-W256 HydrophobicContact CZ-CZ3 4.15Å; F253-W256 WeakPolarHBondContact O-CB 3.49Å; F253-W256 PolarHBondContact O-N 3.27Å; Y254-W256 VanDerWaalsContact C-N 3.26Å; Y254-W256 PolarHBondContact O-N 3.17Å; W256-E258 VanDerWaalsContact C-N 3.3Å; W256-E258 PolarHBondContact O-N 2.67Å; W256-G259 CarbonylContact O-C 3.57Å; W256-G259 WeakPolarHBondContact O-CA 3.42Å; W256-G259 PolarHBondContact O-N 3.03Å; W256-L260 HydrophobicContact CD2-CD1 4.39Å; W256-L260 HydrophobicContact CD2-CD2 4.47Å; W256-L260 HydrophobicContact CD2-CG 4.42Å; W256-L260 HydrophobicContact CE3-CD1 4.1Å; W256-L260 HydrophobicContact CH2-CD1 3.55Å; W256-L260 HydrophobicContact CH2-CD2 4.4Å; W256-L260 HydrophobicContact CH2-CG 4.42Å; W256-L260 HydrophobicContact CZ2-CD1 3.84Å; W256-L260 HydrophobicContact CZ2-CD2 3.82Å; W256-L260 HydrophobicContact CZ2-CG 4.26Å; W256-L260 HydrophobicContact CZ3-CD1 3.68Å; W256-L260 WeakPolarHBondContact O-CG 3.36Å; W256-L260 PolarHBondContact O-N 3.39Å
257	L	62.1	Low	62.2	Low	9 Å²	9	65.2 Å²	65.2	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-36.6	178.2	-174.7	67.8	0	0	0	112.2	F253 Y254 G259 L260 R265 Y268	F253-L257 HydrophobicContact CE1-CD2 4.43Å; F253-L257 WeakPolarHBondContact O-CB 3.29Å; F253-L257 PolarHBondContact O-N 2.97Å; Y254-L257 HydrophobicContact CD1-CD2 4.04Å; Y254-L257 HydrophobicContact CE1-CD2 4.31Å; Y254-L257 CarbonylContact O-C 3.49Å; Y254-L257 WeakPolarHBondContact O-CB 3.4Å; Y254-L257 PolarHBondContact O-N 2.94Å; Y254-L257 VanDerWaalsContact O-N 3.12Å; L257-G259 VanDerWaalsContact C-N 3.32Å; L257-L260 HydrophobicContact CD1-CD1 3.96Å; L257-L260 WeakPolarHBondContact O-CB 3.27Å; L257-L260 PolarHBondContact O-N 2.79Å; L257-R265 HydrophobicContact CG-CG 4.29Å; L257-Y268 HydrophobicContact CD1-CD1 4.15Å; L257-Y268 HydrophobicContact CD1-CG 4.06Å; L257-Y268 HydrophobicContact CD2-CD1 3.45Å; L257-Y268 VanDerWaalsContact CD2-CD1 3.45Å; L257-Y268 HydrophobicContact CD2-CE1 3.6Å; L257-Y268 HydrophobicContact CD2-CG 4.18Å; L257-Y268 HydrophobicContact CG-CD1 4.44Å
258	E	58.8	Low	64.1	Low	128 Å²	128	57.9 Å²	57.9	60%	0.598	31%	0.313	S	S	*	.	H	α-helix	trans	-67.2	-33.4	171.9	-76.4	173.8	-167.9	0	0	111.8	Y254 W256 L260 R265	Y254-E258 WeakPolarHBondContact O-CB 3.49Å; Y254-E258 WeakPolarHBondContact O-CG 3.49Å; Y254-E258 PolarHBondContact O-N 2.77Å; W256-E258 VanDerWaalsContact C-N 3.3Å; W256-E258 PolarHBondContact O-N 2.67Å; E258-L260 VanDerWaalsContact C-N 3.27Å; E258-L260 PolarHBondContact O-N 3.15Å; E258-R265 PolarHBondContact O-NH2 3.44Å
259	G	53.1	Low	65.9	Low	67 Å²	67	54.6 Å²	54.6	69%	0.691	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.1	173.7	0	0	0	0	0	115.2	K255 W256 L257	K255-G259 PolarHBondContact O-N 2.96Å; K255-G259 VanDerWaalsContact O-N 3.1Å; W256-G259 CarbonylContact O-C 3.57Å; W256-G259 WeakPolarHBondContact O-CA 3.42Å; W256-G259 PolarHBondContact O-N 3.03Å; L257-G259 VanDerWaalsContact C-N 3.32Å
260	L	60.6	Low	67.7	Low	19 Å²	19	48.7 Å²	48.7	10%	0.099	26%	0.262	C	S	.	.	S	Bend	trans	-82.7	159.3	174.4	-62	-179.6	0	0	0	112.2	W256 L257 E258 K264	W256-L260 HydrophobicContact CD2-CD1 4.39Å; W256-L260 HydrophobicContact CD2-CD2 4.47Å; W256-L260 HydrophobicContact CD2-CG 4.42Å; W256-L260 HydrophobicContact CE3-CD1 4.1Å; W256-L260 HydrophobicContact CH2-CD1 3.55Å; W256-L260 HydrophobicContact CH2-CD2 4.4Å; W256-L260 HydrophobicContact CH2-CG 4.42Å; W256-L260 HydrophobicContact CZ2-CD1 3.84Å; W256-L260 HydrophobicContact CZ2-CD2 3.82Å; W256-L260 HydrophobicContact CZ2-CG 4.26Å; W256-L260 HydrophobicContact CZ3-CD1 3.68Å; W256-L260 WeakPolarHBondContact O-CG 3.36Å; W256-L260 PolarHBondContact O-N 3.39Å; L257-L260 HydrophobicContact CD1-CD1 3.96Å; L257-L260 WeakPolarHBondContact O-CB 3.27Å; L257-L260 PolarHBondContact O-N 2.79Å; E258-L260 VanDerWaalsContact C-N 3.27Å; E258-L260 PolarHBondContact O-N 3.15Å; L260-K264 HydrophobicContact CB-CB 3.95Å; L260-K264 HydrophobicContact CB-CD 4.13Å; L260-K264 HydrophobicContact CD1-CB 3.86Å; L260-K264 HydrophobicContact CD1-CD 4.05Å; L260-K264 HydrophobicContact CD2-CD 4.08Å; L260-K264 HydrophobicContact CG-CD 4.32Å
261	C	63.7	Low	69.7	Low	80 Å²	80	47.3 Å²	47.3	54%	0.541	25%	0.248	S	C	.	.			trans	-54.1	147	167.1	-50	0	0	0	0	110.7	E263 K264 R265	C261-E263 WeakPolarHBondContact CB-OE2 3.36Å; C261-E263 PolarHBondContact O-N 2.75Å; C261-K264 WeakPolarHBondContact O-CB 3.46Å; C261-K264 PolarHBondContact O-N 3.21Å; C261-R265 PolarHBondContact O-N 2.84Å
262	L	64.1	Low	71.5	Confident	56 Å²	56	41.8 Å²	41.8	29%	0.293	22%	0.222	S	C	.	.	H	α-helix	trans	-54.8	-40.8	-173	-177.6	67.4	0	0	0	112.1	K264 R265 V266 S382 M383	L262-K264 VanDerWaalsContact C-N 3.27Å; L262-K264 PolarHBondContact O-N 3.43Å; L262-R265 WeakPolarHBondContact O-CA 3.42Å; L262-R265 WeakPolarHBondContact O-CB 3.5Å; L262-R265 PolarHBondContact O-N 2.73Å; L262-V266 HydrophobicContact CD1-CG2 4.46Å; L262-V266 HydrophobicContact CG-CG2 4.23Å; L262-V266 WeakPolarHBondContact O-CG2 3.36Å; L262-V266 PolarHBondContact O-N 2.68Å; L262-S382 WeakPolarHBondContact CD2-O 3.41Å; L262-M383 HydrophobicContact CD2-CB 4.45Å; L262-M383 HydrophobicContact CD2-CG 4.39Å
263	E	65.2	Low	73.3	Confident	66 Å²	66	40.2 Å²	40.2	31%	0.308	21%	0.205	S	C	.	.	H	α-helix	trans	-54.9	-42.3	-179.9	-56.8	80.6	-178.7	0	0	111.9	F229 C261 V266 F267 L394	F229-E263 HydrophobicContact CD1-CB 4.44Å; F229-E263 HydrophobicContact CE1-CB 4.34Å; F229-E263 HydrophobicContact CZ-CB 4.48Å; C261-E263 WeakPolarHBondContact CB-OE2 3.36Å; C261-E263 PolarHBondContact O-N 2.75Å; E263-V266 PolarHBondContact O-N 2.7Å; E263-F267 PolarHBondContact O-N 3.12Å; E263-L394 HydrophobicContact CB-CD1 3.79Å; E263-L394 HydrophobicContact CG-CD1 3.31Å; E263-L394 HydrophobicContact CG-CD2 3.57Å; E263-L394 HydrophobicContact CG-CG 4.04Å
264	K	68.8	Low	74.8	Confident	32 Å²	32	39.1 Å²	39.1	14%	0.139	20%	0.201	C	C	.	.	H	α-helix	trans	-67.9	-38.8	177.8	-67	-175.3	175.6	-177	0	111.9	N227 F229 L260 C261 L262 Y268	N227-K264 PolarHBondContact ND2-O 3.18Å; N227-K264 VanDerWaalsContact OD1-CA 3.24Å; N227-K264 WeakPolarHBondContact OD1-CA 3.2Å; N227-K264 PolarHBondContact OD1-O 3.3Å; F229-K264 HydrophobicContact CB-CG 4.21Å; F229-K264 HydrophobicContact CD2-CG 3.71Å; F229-K264 HydrophobicContact CG-CG 4.28Å; F229-K264 WeakPolarHBondContact O-CE 3.39Å; F229-K264 PolarHBondContact O-NZ 3.32Å; L260-K264 HydrophobicContact CB-CB 3.95Å; L260-K264 HydrophobicContact CB-CD 4.13Å; L260-K264 HydrophobicContact CD1-CB 3.86Å; L260-K264 HydrophobicContact CD1-CD 4.05Å; L260-K264 HydrophobicContact CD2-CD 4.08Å; L260-K264 HydrophobicContact CG-CD 4.32Å; C261-K264 WeakPolarHBondContact O-CB 3.46Å; C261-K264 PolarHBondContact O-N 3.21Å; L262-K264 VanDerWaalsContact C-N 3.27Å; L262-K264 PolarHBondContact O-N 3.43Å; K264-Y268 WeakPolarHBondContact O-CB 2.87Å; K264-Y268 PolarHBondContact O-N 2.77Å; K264-Y268 VanDerWaalsContact O-N 3.09Å
265	R	73.3	Confident	76.4	Confident	58 Å²	58	39.5 Å²	39.5	22%	0.219	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-44.7	177.1	-167.6	-174.6	-54.7	170.5	6.6	110.3	L257 E258 C261 L262 Y268 R269	L257-R265 HydrophobicContact CG-CG 4.29Å; E258-R265 PolarHBondContact O-NH2 3.44Å; C261-R265 PolarHBondContact O-N 2.84Å; L262-R265 WeakPolarHBondContact O-CA 3.42Å; L262-R265 WeakPolarHBondContact O-CB 3.5Å; L262-R265 PolarHBondContact O-N 2.73Å; R265-Y268 PolarHBondContact O-N 3.2Å; R265-R269 VanDerWaalsContact O-CG 3.27Å; R265-R269 WeakPolarHBondContact O-CG 3.28Å; R265-R269 PolarHBondContact O-N 2.97Å
266	V	79.8	Confident	78.2	Confident	6 Å²	6	32.1 Å²	32.1	4%	0.036	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-53.5	177	172.8	0	0	0	0	110.4	L262 E263 Y268 R269 L270 F326 M383 F398	L262-V266 HydrophobicContact CD1-CG2 4.46Å; L262-V266 HydrophobicContact CG-CG2 4.23Å; L262-V266 WeakPolarHBondContact O-CG2 3.36Å; L262-V266 PolarHBondContact O-N 2.68Å; E263-V266 PolarHBondContact O-N 2.7Å; V266-Y268 VanDerWaalsContact C-N 3.32Å; V266-Y268 PolarHBondContact O-N 2.82Å; V266-R269 PolarHBondContact O-N 3.33Å; V266-R269 VanDerWaalsContact O-N 3.1Å; V266-L270 HydrophobicContact CG1-CD1 3.92Å; V266-L270 HydrophobicContact CG1-CG 4.18Å; V266-L270 VanDerWaalsContact O-CG 3.29Å; V266-L270 WeakPolarHBondContact O-CG 3.38Å; V266-L270 PolarHBondContact O-N 3.12Å; V266-F326 HydrophobicContact CG1-CZ 4.42Å; V266-F326 HydrophobicContact CG2-CZ 4.47Å; V266-M383 HydrophobicContact CB-CE 4.12Å; V266-M383 HydrophobicContact CG1-CE 3.74Å; V266-M383 HydrophobicContact CG1-SD 4.32Å; V266-M383 HydrophobicContact CG2-CE 3.24Å; V266-M383 HydrophobicContact CG2-CG 3.94Å; V266-M383 HydrophobicContact CG2-SD 4.14Å; V266-F398 HydrophobicContact CB-CZ 4.49Å; V266-F398 HydrophobicContact CG1-CZ 4.19Å
267	F	83.8	Confident	79.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55.2	-47.4	178.8	-177.2	-88	0	0	0	112	E226 N227 F229 E263 R269 L270 I271 F398 H401 F402 I405	E226-F267 HydrophobicContact CB-CE1 4.43Å; E226-F267 HydrophobicContact CB-CZ 4.01Å; N227-F267 HydrophobicContact CB-CD1 3.51Å; N227-F267 HydrophobicContact CB-CE1 3.77Å; N227-F267 HydrophobicContact CB-CG 4.5Å; F229-F267 HydrophobicContact CE2-CB 3.95Å; F229-F267 HydrophobicContact CE2-CG 4.26Å; F229-F267 HydrophobicContact CZ-CB 4.33Å; E263-F267 PolarHBondContact O-N 3.12Å; F267-R269 VanDerWaalsContact C-N 3.35Å; F267-R269 PolarHBondContact O-N 2.63Å; F267-L270 PolarHBondContact O-N 2.86Å; F267-I271 HydrophobicContact CD1-CG1 4.09Å; F267-I271 HydrophobicContact CE1-CG1 3.74Å; F267-I271 HydrophobicContact CE2-CG1 4.39Å; F267-I271 HydrophobicContact CZ-CD1 4.29Å; F267-I271 HydrophobicContact CZ-CG1 3.93Å; F267-I271 WeakPolarHBondContact O-CG1 3.4Å; F267-I271 PolarHBondContact O-N 2.75Å; F267-F398 HydrophobicContact CB-CE1 4.01Å; F267-F398 HydrophobicContact CB-CZ 4.43Å; F267-F398 HydrophobicContact CD2-CD1 4.22Å; F267-F398 AromaticContact CD2-CE1 3.96Å; F267-F398 HydrophobicContact CD2-CE1 3.96Å; F267-H401 HydrophobicContact CE2-CB 3.77Å; F267-H401 HydrophobicContact CZ-CB 4.34Å; F267-F402 HydrophobicContact CD2-CE2 4.34Å; F267-F402 HydrophobicContact CE2-CE2 4.19Å; F267-I405 HydrophobicContact CE2-CD1 3.82Å; F267-I405 HydrophobicContact CZ-CD1 3.59Å
268	Y	86.7	Confident	81.4	Confident	20 Å²	20	30.6 Å²	30.6	8%	0.078	17%	0.168	C	C	.	.	H	α-helix	trans	-56.9	-47.5	176.4	172.2	-98.2	0	0	0	112.2	Y224 F253 Y254 L257 K264 R265 V266 L270 I271 S272	Y224-Y268 AromaticContact CD1-CD2 3.86Å; Y224-Y268 HydrophobicContact CD1-CD2 3.86Å; Y224-Y268 HydrophobicContact CD1-CE2 4.11Å; Y224-Y268 AromaticContact CE1-CD2 3.76Å; Y224-Y268 HydrophobicContact CE1-CD2 3.76Å; Y224-Y268 AromaticContact CE1-CE2 3.79Å; Y224-Y268 HydrophobicContact CE1-CE2 3.79Å; F253-Y268 HydrophobicContact CE1-CE1 4.49Å; F253-Y268 HydrophobicContact CE1-CE2 4.05Å; F253-Y268 AromaticContact CE1-CZ 3.84Å; F253-Y268 HydrophobicContact CZ-CD2 4.46Å; F253-Y268 AromaticContact CZ-CE2 3.93Å; F253-Y268 HydrophobicContact CZ-CE2 3.93Å; Y254-Y268 HydrophobicContact CE1-CE1 4.43Å; L257-Y268 HydrophobicContact CD1-CD1 4.15Å; L257-Y268 HydrophobicContact CD1-CG 4.06Å; L257-Y268 HydrophobicContact CD2-CD1 3.45Å; L257-Y268 VanDerWaalsContact CD2-CD1 3.45Å; L257-Y268 HydrophobicContact CD2-CE1 3.6Å; L257-Y268 HydrophobicContact CD2-CG 4.18Å; L257-Y268 HydrophobicContact CG-CD1 4.44Å; K264-Y268 WeakPolarHBondContact O-CB 2.87Å; K264-Y268 PolarHBondContact O-N 2.77Å; K264-Y268 VanDerWaalsContact O-N 3.09Å; R265-Y268 PolarHBondContact O-N 3.2Å; V266-Y268 VanDerWaalsContact C-N 3.32Å; V266-Y268 PolarHBondContact O-N 2.82Å; Y268-L270 PolarHBondContact O-N 3.35Å; Y268-I271 PolarHBondContact O-N 3.39Å; Y268-S272 WeakPolarHBondContact O-CB 3.38Å; Y268-S272 PolarHBondContact O-N 3.08Å
269	R	87.9	Confident	83.2	Confident	21 Å²	21	25.3 Å²	25.3	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-37.8	-178.5	-67.7	-178.2	73	-167	-2.3	111.8	D62 R265 V266 F267 S272 G273 N323 F326	D62-R269 IonicContact OD2-CZ 3.88Å; D62-R269 IonicContact OD2-NH1 2.77Å; D62-R269 PolarHBondContact OD2-NH1 2.84Å; R265-R269 VanDerWaalsContact O-CG 3.27Å; R265-R269 WeakPolarHBondContact O-CG 3.28Å; R265-R269 PolarHBondContact O-N 2.97Å; V266-R269 PolarHBondContact O-N 3.33Å; V266-R269 VanDerWaalsContact O-N 3.1Å; F267-R269 VanDerWaalsContact C-N 3.35Å; F267-R269 PolarHBondContact O-N 2.63Å; R269-S272 PolarHBondContact O-N 2.99Å; R269-G273 PolarHBondContact O-N 3.35Å; R269-N323 WeakPolarHBondContact CG-OD1 3.31Å; R269-N323 PolarHBondContact NE-OD1 3.43Å; R269-N323 VanDerWaalsContact NE-OD1 3.17Å; R269-F326 HydrophobicContact CB-CD1 3.54Å; R269-F326 HydrophobicContact CB-CE1 3.52Å; R269-F326 HydrophobicContact CB-CG 4.37Å; R269-F326 HydrophobicContact CB-CZ 4.32Å; R269-F326 VanDerWaalsContact NH2-CD2 3.33Å
270	L	90.9	Very high	85.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-51.8	174.6	-64.6	176.4	0	0	0	111.2	V266 F267 Y268 S272 G273 L274 F326 L327 I330 F398 L428 L432	V266-L270 HydrophobicContact CG1-CD1 3.92Å; V266-L270 HydrophobicContact CG1-CG 4.18Å; V266-L270 VanDerWaalsContact O-CG 3.29Å; V266-L270 WeakPolarHBondContact O-CG 3.38Å; V266-L270 PolarHBondContact O-N 3.12Å; F267-L270 PolarHBondContact O-N 2.86Å; Y268-L270 PolarHBondContact O-N 3.35Å; L270-S272 VanDerWaalsContact C-N 3.33Å; L270-S272 PolarHBondContact O-N 2.63Å; L270-G273 PolarHBondContact O-N 3.11Å; L270-L274 PolarHBondContact O-N 3.45Å; L270-F326 HydrophobicContact CD2-CD1 4.3Å; L270-F326 HydrophobicContact CD2-CE1 3.92Å; L270-F326 HydrophobicContact CG-CE1 4.29Å; L270-L327 HydrophobicContact CB-CD1 4.4Å; L270-L327 HydrophobicContact CD2-CD1 3.66Å; L270-I330 HydrophobicContact CD2-CB 4.1Å; L270-I330 HydrophobicContact CD2-CG1 4.02Å; L270-I330 HydrophobicContact CD2-CG2 3.96Å; L270-F398 HydrophobicContact CD1-CE1 4.47Å; L270-L428 HydrophobicContact CB-CD2 4.15Å; L270-L428 HydrophobicContact CD1-CD1 4.42Å; L270-L428 HydrophobicContact CD2-CD1 4.29Å; L270-L432 HydrophobicContact CD1-CD1 4.21Å; L270-L432 HydrophobicContact CD1-CD2 4.15Å
271	I	93.9	Very high	87.1	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-38.6	178.7	-60.5	-55.9	0	0	0	111.4	W220 I223 Y224 F267 Y268 L274 H275 I405	W220-I271 HydrophobicContact CE3-CG2 4.43Å; W220-I271 HydrophobicContact CZ3-CG2 4.02Å; I223-I271 HydrophobicContact CG2-CD1 4.03Å; I223-I271 HydrophobicContact CG2-CG1 4.25Å; I223-I271 HydrophobicContact CG2-CG2 3.6Å; Y224-I271 HydrophobicContact CD1-CB 4.42Å; Y224-I271 HydrophobicContact CD1-CG2 3.93Å; Y224-I271 HydrophobicContact CD2-CG2 4.49Å; Y224-I271 HydrophobicContact CE1-CB 3.98Å; Y224-I271 HydrophobicContact CE1-CG2 3.55Å; Y224-I271 HydrophobicContact CE2-CG2 4.12Å; Y224-I271 HydrophobicContact CG-CG2 4.39Å; F267-I271 HydrophobicContact CD1-CG1 4.09Å; F267-I271 HydrophobicContact CE1-CG1 3.74Å; F267-I271 HydrophobicContact CE2-CG1 4.39Å; F267-I271 HydrophobicContact CZ-CD1 4.29Å; F267-I271 HydrophobicContact CZ-CG1 3.93Å; F267-I271 WeakPolarHBondContact O-CG1 3.4Å; F267-I271 PolarHBondContact O-N 2.75Å; Y268-I271 PolarHBondContact O-N 3.39Å; I271-L274 PolarHBondContact O-N 3.24Å; I271-H275 WeakPolarHBondContact O-CB 3.13Å; I271-H275 PolarHBondContact O-N 3.04Å; I271-I405 HydrophobicContact CD1-CD1 3.86Å
272	S	94.3	Very high	88.5	Confident	2 Å²	2	18.8 Å²	18.8	1%	0.014	9%	0.088	C	C	.	.	H	α-helix	trans	-64.6	-40.5	176.2	-175.6	0	0	0	0	112.5	Y224 Y268 R269 L270 S276 N323	Y224-S272 VanDerWaalsContact OH-CA 3.22Å; Y224-S272 WeakPolarHBondContact OH-CA 3.01Å; Y268-S272 WeakPolarHBondContact O-CB 3.38Å; Y268-S272 PolarHBondContact O-N 3.08Å; R269-S272 PolarHBondContact O-N 2.99Å; L270-S272 VanDerWaalsContact C-N 3.33Å; L270-S272 PolarHBondContact O-N 2.63Å; S272-S276 WeakPolarHBondContact O-CB 3.48Å; S272-S276 PolarHBondContact O-N 3.47Å; S272-S276 PolarHBondContact O-OG 3.49Å; S272-N323 WeakPolarHBondContact CB-ND2 3.37Å; S272-N323 PolarHBondContact OG-ND2 3.47Å
273	G	96.3	Very high	90	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.2	-43.8	172.8	0	0	0	0	0	112	R269 L270 S276 S277 N323	R269-G273 PolarHBondContact O-N 3.35Å; L270-G273 PolarHBondContact O-N 3.11Å; G273-S276 WeakPolarHBondContact O-CB 3.25Å; G273-S276 PolarHBondContact O-N 3.13Å; G273-S277 PolarHBondContact O-N 2.87Å; G273-N323 WeakPolarHBondContact CA-O 3.23Å
274	L	97.1	Very high	91.5	Very high	7 Å²	7	13.2 Å²	13.2	4%	0.037	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-46.2	178.3	177.6	58.9	0	0	0	111.4	L270 I271 S276 S277 I278 L327 Q424 T425	L270-L274 PolarHBondContact O-N 3.45Å; I271-L274 PolarHBondContact O-N 3.24Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.42Å; L274-S277 WeakPolarHBondContact O-CB 3.28Å; L274-S277 PolarHBondContact O-N 2.94Å; L274-I278 HydrophobicContact CD1-CD1 4.36Å; L274-I278 HydrophobicContact CG-CD1 4.27Å; L274-I278 WeakPolarHBondContact O-CG1 3.21Å; L274-I278 PolarHBondContact O-N 3.33Å; L274-L327 HydrophobicContact CB-CD2 3.86Å; L274-Q424 HydrophobicContact CD1-CB 3.66Å; L274-Q424 HydrophobicContact CD1-CG 4.11Å; L274-Q424 HydrophobicContact CD2-CB 4.47Å; L274-T425 HydrophobicContact CD2-CG2 4.01Å
275	H	97.4	Very high	92.7	Very high	36 Å²	36	15.5 Å²	15.5	17%	0.167	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-39.1	174.6	-168.9	171.8	0	0	0	111.1	W220 Y224 I271 I278 N279	W220-H275 AromaticContact CD1-CE1 3.73Å; W220-H275 AromaticContact CD1-NE2 3.93Å; W220-H275 AromaticContact CD2-CE1 3.71Å; W220-H275 AromaticContact CD2-CG 3.91Å; W220-H275 AromaticContact CD2-ND1 3.54Å; W220-H275 AromaticContact CE2-CD2 3.57Å; W220-H275 AromaticContact CE2-CE1 3.72Å; W220-H275 AromaticContact CE2-CG 3.66Å; W220-H275 AromaticContact CE2-ND1 3.72Å; W220-H275 AromaticContact CE2-NE2 3.69Å; W220-H275 HydrophobicContact CE3-CB 4.23Å; W220-H275 AromaticContact CE3-ND1 3.77Å; W220-H275 AromaticContact CG-CE1 3.73Å; W220-H275 AromaticContact CG-ND1 3.98Å; W220-H275 HydrophobicContact CH2-CB 3.52Å; W220-H275 AromaticContact CH2-CG 3.75Å; W220-H275 HydrophobicContact CZ2-CB 3.86Å; W220-H275 AromaticContact CZ2-CD2 3.55Å; W220-H275 AromaticContact CZ2-CG 3.59Å; W220-H275 HydrophobicContact CZ3-CB 3.72Å; W220-H275 AromaticContact CZ3-CG 3.97Å; W220-H275 AromaticContact NE1-CD2 3.83Å; W220-H275 AromaticContact NE1-CE1 3.69Å; W220-H275 AromaticContact NE1-NE2 3.51Å; Y224-H275 AromaticContact CE2-ND1 3.95Å; I271-H275 WeakPolarHBondContact O-CB 3.13Å; I271-H275 PolarHBondContact O-N 3.04Å; H275-I278 PolarHBondContact O-N 2.85Å; H275-N279 PolarHBondContact CD2-ND2 3.4Å; H275-N279 PolarHBondContact NE2-ND2 2.93Å; H275-N279 WeakPolarHBondContact O-CB 3.28Å; H275-N279 VanDerWaalsContact O-CG 3.3Å; H275-N279 PolarHBondContact O-N 3.37Å; H275-N279 PolarHBondContact O-ND2 3.35Å
276	S	97.4	Very high	93.6	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-65.2	-41.5	176.2	-57.6	0	0	0	0	112.1	S272 G273 L274 N279 I280 R320	S272-S276 WeakPolarHBondContact O-CB 3.48Å; S272-S276 PolarHBondContact O-N 3.47Å; S272-S276 PolarHBondContact O-OG 3.49Å; G273-S276 WeakPolarHBondContact O-CB 3.25Å; G273-S276 PolarHBondContact O-N 3.13Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.42Å; S276-N279 PolarHBondContact O-N 3.05Å; S276-I280 VanDerWaalsContact O-CG1 3.32Å; S276-I280 WeakPolarHBondContact O-CG1 3.22Å; S276-I280 PolarHBondContact O-N 3.45Å; S276-R320 WeakPolarHBondContact OG-CB 3.38Å; S276-R320 PolarHBondContact OG-O 3.4Å
277	S	98.4	Very high	94.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.4	-51.5	174.3	175.4	0	0	0	0	111.6	G273 L274 N279 I280 H281 S473	G273-S277 PolarHBondContact O-N 2.87Å; L274-S277 WeakPolarHBondContact O-CB 3.28Å; L274-S277 PolarHBondContact O-N 2.94Å; S277-N279 VanDerWaalsContact C-N 3.3Å; S277-N279 PolarHBondContact O-N 3.18Å; S277-I280 PolarHBondContact O-N 3.19Å; S277-I280 VanDerWaalsContact O-N 3.08Å; S277-H281 PolarHBondContact O-N 3.41Å; S277-H281 PolarHBondContact O-ND1 2.99Å; S277-S473 WeakPolarHBondContact CA-OG 3.39Å; S277-S473 PolarHBondContact O-OG 3.47Å; S277-S473 PolarHBondContact OG-OG 3.25Å
278	I	97.4	Very high	94.2	Very high	40 Å²	40	19.3 Å²	19.3	21%	0.205	10%	0.095	C	C	.	.	H	α-helix	trans	-59.2	-44.1	178.3	-65.8	163	0	0	0	110.7	E206 W220 L274 H275 I280 H281 L282	E206-I278 WeakPolarHBondContact OE1-CG1 3.47Å; W220-I278 HydrophobicContact CH2-CD1 3.83Å; W220-I278 HydrophobicContact CZ2-CD1 3.74Å; L274-I278 HydrophobicContact CD1-CD1 4.36Å; L274-I278 HydrophobicContact CG-CD1 4.27Å; L274-I278 WeakPolarHBondContact O-CG1 3.21Å; L274-I278 PolarHBondContact O-N 3.33Å; H275-I278 PolarHBondContact O-N 2.85Å; I278-I280 VanDerWaalsContact C-N 3.29Å; I278-I280 PolarHBondContact O-N 2.85Å; I278-H281 PolarHBondContact O-N 3.25Å; I278-L282 PolarHBondContact O-N 3.07Å
279	N	96.8	Very high	93.9	Very high	17 Å²	17	23.1 Å²	23.1	9%	0.091	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-29.8	177.9	-76.3	-27.8	0	0	0	113	H275 S276 S277 L282 C283 R307 F308	H275-N279 PolarHBondContact CD2-ND2 3.4Å; H275-N279 PolarHBondContact NE2-ND2 2.93Å; H275-N279 WeakPolarHBondContact O-CB 3.28Å; H275-N279 VanDerWaalsContact O-CG 3.3Å; H275-N279 PolarHBondContact O-N 3.37Å; H275-N279 PolarHBondContact O-ND2 3.35Å; S276-N279 PolarHBondContact O-N 3.05Å; S277-N279 VanDerWaalsContact C-N 3.3Å; S277-N279 PolarHBondContact O-N 3.18Å; N279-L282 WeakPolarHBondContact O-CG 3.48Å; N279-C283 WeakPolarHBondContact O-CB 3.42Å; N279-C283 PolarHBondContact O-N 3.23Å; N279-C283 PolarHBondContact O-SG 3.16Å; N279-R307 PolarHBondContact OD1-NH1 3.26Å; N279-F308 HydrophobicContact CB-CE2 4.17Å; N279-F308 HydrophobicContact CB-CZ 3.77Å
280	I	97.8	Very high	93	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-73.6	-42.6	174.2	-70	160	0	0	0	110.5	S276 S277 I278 L282 C283 A284 F304 F308 L321 L324 Q476 L477	S276-I280 VanDerWaalsContact O-CG1 3.32Å; S276-I280 WeakPolarHBondContact O-CG1 3.22Å; S276-I280 PolarHBondContact O-N 3.45Å; S277-I280 PolarHBondContact O-N 3.19Å; S277-I280 VanDerWaalsContact O-N 3.08Å; I278-I280 VanDerWaalsContact C-N 3.29Å; I278-I280 PolarHBondContact O-N 2.85Å; I280-L282 PolarHBondContact O-N 3.37Å; I280-C283 WeakPolarHBondContact O-CB 3.46Å; I280-C283 PolarHBondContact O-N 3.09Å; I280-C283 VanDerWaalsContact O-N 3.14Å; I280-A284 WeakPolarHBondContact O-CB 3.44Å; I280-A284 PolarHBondContact O-N 3.02Å; I280-F304 HydrophobicContact CG1-CE2 4.48Å; I280-F308 HydrophobicContact CD1-CZ 4.4Å; I280-F308 HydrophobicContact CG1-CE2 3.81Å; I280-F308 HydrophobicContact CG1-CZ 3.76Å; I280-L321 HydrophobicContact CD1-CD2 3.88Å; I280-L324 HydrophobicContact CD1-CD2 3.49Å; I280-L324 VanDerWaalsContact CD1-CD2 3.49Å; I280-Q476 HydrophobicContact CG2-CB 3.82Å; I280-L477 HydrophobicContact CD1-CD1 4.16Å; I280-L477 HydrophobicContact CD1-CD2 3.79Å; I280-L477 HydrophobicContact CD1-CG 3.93Å; I280-L477 HydrophobicContact CG1-CD2 4.22Å
281	H	97.5	Very high	91.9	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-45.9	178.1	-75.1	84.9	0	0	0	112	E206 S277 I278 C283 A284 E285 R469 S473	E206-H281 HydrophobicContact CG-CB 4Å; E206-H281 IonicContact OE2-CD2 2.68Å; E206-H281 PolarHBondContact OE2-CD2 3.18Å; E206-H281 IonicContact OE2-CE1 3.17Å; E206-H281 PolarHBondContact OE2-CE1 3.25Å; E206-H281 IonicContact OE2-CG 2.89Å; E206-H281 VanDerWaalsContact OE2-CG 3.29Å; E206-H281 IonicContact OE2-ND1 3.63Å; E206-H281 PolarHBondContact OE2-ND1 3.2Å; E206-H281 IonicContact OE2-NE2 3.12Å; S277-H281 PolarHBondContact O-N 3.41Å; S277-H281 PolarHBondContact O-ND1 2.99Å; I278-H281 PolarHBondContact O-N 3.25Å; H281-C283 VanDerWaalsContact C-N 3.26Å; H281-C283 PolarHBondContact O-N 2.89Å; H281-A284 PolarHBondContact O-N 3.36Å; H281-E285 PolarHBondContact O-N 3.12Å; H281-R469 PolarHBondContact CE1-O 3.17Å; H281-S473 PolarHBondContact CE1-OG 3.32Å; H281-S473 PolarHBondContact ND1-OG 3.06Å
282	L	94.4	Very high	90.4	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.12	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-29.6	176.8	71.3	85.6	0	0	0	112.7	Y208 I278 N279 I280 F286 E303	Y208-L282 HydrophobicContact CD2-CB 4.45Å; I278-L282 PolarHBondContact O-N 3.07Å; N279-L282 WeakPolarHBondContact O-CG 3.48Å; I280-L282 PolarHBondContact O-N 3.37Å; L282-F286 WeakPolarHBondContact O-CB 3.36Å; L282-F286 WeakPolarHBondContact O-CD2 3.39Å; L282-F286 PolarHBondContact O-N 2.67Å; L282-E303 HydrophobicContact CD1-CG 4.19Å
283	C	95.8	Very high	89.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-73.2	-39.7	174.8	-72	0	0	0	0	111.4	N279 I280 H281 P299 N300 F304 F480	N279-C283 WeakPolarHBondContact O-CB 3.42Å; N279-C283 PolarHBondContact O-N 3.23Å; N279-C283 PolarHBondContact O-SG 3.16Å; I280-C283 WeakPolarHBondContact O-CB 3.46Å; I280-C283 PolarHBondContact O-N 3.09Å; I280-C283 VanDerWaalsContact O-N 3.14Å; H281-C283 VanDerWaalsContact C-N 3.26Å; H281-C283 PolarHBondContact O-N 2.89Å; C283-P299 WeakPolarHBondContact O-CA 3.04Å; C283-N300 PolarHBondContact O-N 3.43Å; C283-F304 HydrophobicContact CB-CB 4.17Å; C283-F304 HydrophobicContact CB-CD2 4.35Å; C283-F480 HydrophobicContact CB-CE2 4.11Å; C283-F480 HydrophobicContact CB-CZ 3.78Å
284	A	96.1	Very high	87.9	Confident	4 Å²	4	58.2 Å²	58.2	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-73.7	-37.2	-177.2	0	0	0	0	0	112.4	I280 H281 G298 P299 Q476 F480	I280-A284 WeakPolarHBondContact O-CB 3.44Å; I280-A284 PolarHBondContact O-N 3.02Å; H281-A284 PolarHBondContact O-N 3.36Å; A284-G298 CarbonylContact O-C 3.38Å; A284-P299 VanDerWaalsContact O-CA 3.3Å; A284-P299 WeakPolarHBondContact O-CA 3.48Å; A284-P299 VanDerWaalsContact O-N 3.12Å; A284-Q476 HydrophobicContact CB-CB 4.1Å; A284-Q476 HydrophobicContact CB-CG 3.72Å; A284-F480 HydrophobicContact CB-CE2 4.06Å; A284-F480 HydrophobicContact CB-CZ 4.24Å
285	E	94.1	Very high	87	Confident	80 Å²	80	60.5 Å²	60.5	37%	0.374	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	63.9	178.4	-66.3	-70.6	171	0	0	109.1	R207 Y208 H281	R207-E285 HydrophobicContact CB-CB 3.47Å; R207-E285 VanDerWaalsContact CB-CB 3.47Å; R207-E285 HydrophobicContact CB-CG 4.42Å; Y208-E285 WeakPolarHBondContact CB-O 3.48Å; Y208-E285 PolarHBondContact N-O 2.99Å; H281-E285 PolarHBondContact O-N 3.12Å
286	F	92.6	Very high	86.5	Confident	30 Å²	30	61 Å²	61	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	147.7	178.8	-160.1	-87.6	0	0	0	110.6	Y208 L282 L288 W297 G298 N300 E303	Y208-F286 HydrophobicContact CD1-CE2 4.44Å; Y208-F286 AromaticContact CD2-CD2 3.65Å; Y208-F286 HydrophobicContact CD2-CD2 3.65Å; Y208-F286 AromaticContact CD2-CE2 3.37Å; Y208-F286 HydrophobicContact CD2-CE2 3.37Å; Y208-F286 HydrophobicContact CD2-CZ 4.09Å; Y208-F286 HydrophobicContact CE1-CE2 4.46Å; Y208-F286 HydrophobicContact CE1-CZ 4.25Å; Y208-F286 HydrophobicContact CE2-CD2 4.16Å; Y208-F286 AromaticContact CE2-CE2 3.39Å; Y208-F286 HydrophobicContact CE2-CE2 3.39Å; Y208-F286 AromaticContact CE2-CZ 3.78Å; Y208-F286 HydrophobicContact CE2-CZ 3.78Å; Y208-F286 AromaticContact CG-CD2 3.86Å; Y208-F286 HydrophobicContact CG-CD2 3.86Å; Y208-F286 AromaticContact CG-CE2 3.91Å; Y208-F286 HydrophobicContact CG-CE2 3.91Å; Y208-F286 HydrophobicContact CG-CG 4.37Å; Y208-F286 HydrophobicContact CG-CZ 4.44Å; Y208-F286 AromaticContact CZ-CE2 3.94Å; Y208-F286 AromaticContact CZ-CZ 3.84Å; L282-F286 WeakPolarHBondContact O-CB 3.36Å; L282-F286 WeakPolarHBondContact O-CD2 3.39Å; L282-F286 PolarHBondContact O-N 2.67Å; F286-L288 HydrophobicContact CD1-CD2 4.43Å; F286-L288 PolarHBondContact O-N 3.49Å; F286-W297 WeakPolarHBondContact O-CA 3.44Å; F286-G298 WeakPolarHBondContact CA-O 3.45Å; F286-G298 WeakPolarHBondContact CB-O 3.46Å; F286-G298 PolarHBondContact N-O 3.05Å; F286-G298 PolarHBondContact O-N 2.98Å; F286-N300 HydrophobicContact CB-CB 3.55Å; F286-N300 HydrophobicContact CD1-CB 3.97Å; F286-N300 WeakPolarHBondContact CD1-ND2 3.45Å; F286-N300 HydrophobicContact CD2-CB 4.14Å; F286-N300 WeakPolarHBondContact CE1-ND2 3.34Å; F286-N300 HydrophobicContact CG-CB 3.62Å; F286-E303 HydrophobicContact CD2-CB 4.47Å; F286-E303 HydrophobicContact CD2-CG 4.26Å; F286-E303 HydrophobicContact CE2-CB 4.36Å; F286-E303 HydrophobicContact CE2-CG 3.98Å
287	L	88.9	Confident	86.1	Confident	19 Å²	19	63.4 Å²	63.4	10%	0.099	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	102.9	175	-176.1	53.1	0	0	0	109.6	I113 Y208 E290 P295 W297	I113-L287 HydrophobicContact CG2-CD2 4.29Å; Y208-L287 HydrophobicContact CD1-CB 3.91Å; Y208-L287 HydrophobicContact CE1-CB 4.41Å; L287-E290 HydrophobicContact CD1-CG 4.15Å; L287-E290 HydrophobicContact CD2-CG 3.48Å; L287-E290 VanDerWaalsContact CD2-CG 3.48Å; L287-E290 WeakPolarHBondContact CD2-OE1 3.42Å; L287-E290 HydrophobicContact CG-CG 3.75Å; L287-P295 HydrophobicContact CD1-CB 3.6Å; L287-W297 HydrophobicContact CB-CE3 4.2Å; L287-W297 HydrophobicContact CB-CH2 4Å; L287-W297 HydrophobicContact CB-CZ2 4.43Å; L287-W297 HydrophobicContact CB-CZ3 3.89Å; L287-W297 HydrophobicContact CD1-CD2 4.29Å; L287-W297 HydrophobicContact CD1-CH2 4.4Å; L287-W297 HydrophobicContact CD1-CZ2 3.97Å; L287-W297 HydrophobicContact CD2-CH2 4.26Å; L287-W297 HydrophobicContact CD2-CZ2 4.32Å; L287-W297 HydrophobicContact CG-CH2 4.48Å; L287-W297 HydrophobicContact CG-CZ2 4.49Å
288	L	87.2	Confident	85.8	Confident	96 Å²	96	63.8 Å²	63.8	50%	0.503	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-37.6	-174	-62	176.2	0	0	0	112.2	F286 A296 N300	F286-L288 HydrophobicContact CD1-CD2 4.43Å; F286-L288 PolarHBondContact O-N 3.49Å; L288-A296 PolarHBondContact N-O 2.66Å; L288-N300 HydrophobicContact CD2-CB 4.29Å
289	D	79.6	Confident	85.7	Confident	99 Å²	99	64.5 Å²	64.5	53%	0.529	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	129.4	179.8	-168.2	2.2	0	0	0	111	G291 P295 A296	D289-G291 PolarHBondContact OD1-N 3.25Å; D289-P295 WeakPolarHBondContact O-CA 3.47Å; D289-A296 HydrophobicContact CB-CB 4.05Å; D289-A296 PolarHBondContact O-N 2.78Å; D289-A296 VanDerWaalsContact O-N 3.12Å
290	E	69.8	Low	85.6	Confident	138 Å²	138	65.3 Å²	65.3	65%	0.645	33%	0.334	S	S	*	.			trans	-105.7	24.1	174	-73.2	-169.3	164.7	0	0	111.8	L287	L287-E290 HydrophobicContact CD1-CG 4.15Å; L287-E290 HydrophobicContact CD2-CG 3.48Å; L287-E290 VanDerWaalsContact CD2-CG 3.48Å; L287-E290 WeakPolarHBondContact CD2-OE1 3.42Å; L287-E290 HydrophobicContact CG-CG 3.75Å
291	G	66.6	Low	85.4	Confident	35 Å²	35	66.2 Å²	66.2	36%	0.361	34%	0.339	S	S	.	.	S	Bend	trans	-57.2	175.7	178.1	0	0	0	0	0	114.3	D289 G293	D289-G291 PolarHBondContact OD1-N 3.25Å; G291-G293 PolarHBondContact O-N 2.04Å
292	W	62.1	Low	85.2	Confident	284 Å²	284	71.4 Å²	71.4	100%	1.076	36%	0.363	S	S	*	.	S	Bend	trans	-61.7	-1	-175.6	-59.6	85.3	0	0	0	115.6
293	G	68.3	Low	85.1	Confident	62 Å²	62	71.4 Å²	71.4	64%	0.639	36%	0.363	S	S	*	.	S	Bend	trans	-104.2	-155.7	179.4	0	0	0	0	0	113.4	G291	G291-G293 PolarHBondContact O-N 2.04Å
294	R	70.9	Confident	85.1	Confident	242 Å²	242	71.4 Å²	71.4	91%	0.913	36%	0.363	S	S	*	.	S	Bend	trans	-70.7	136	172.1	-69.9	-175.9	-179.8	-176.7	-0.1	109.3	A296	R294-A296 PolarHBondContact O-N 3.06Å
295	P	78.9	Confident	84.9	Confident	56 Å²	56	74 Å²	74	36%	0.364	37%	0.371	S	S	.	.			trans	-59.7	131.4	179.4	24	-32.9	0	0	0	110.3	L287 D289 W297	L287-P295 HydrophobicContact CD1-CB 3.6Å; D289-P295 WeakPolarHBondContact O-CA 3.47Å; P295-W297 VanDerWaalsContact O-CD1 3.31Å
296	A	86.1	Confident	84.8	Confident	45 Å²	45	76.8 Å²	76.8	37%	0.372	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.3	177.9	0	0	0	0	0	109.4	L288 D289 R294	L288-A296 PolarHBondContact N-O 2.66Å; D289-A296 HydrophobicContact CB-CB 4.05Å; D289-A296 PolarHBondContact O-N 2.78Å; D289-A296 VanDerWaalsContact O-N 3.12Å; R294-A296 PolarHBondContact O-N 3.06Å
297	W	89.4	Confident	84.8	Confident	54 Å²	54	78.4 Å²	78.4	21%	0.205	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.8	176.8	-64.2	86.6	0	0	0	110	I113 D115 R207 Y208 F286 L287 P295	I113-W297 HydrophobicContact CD1-CH2 4.01Å; D115-W297 HydrophobicContact CB-CZ2 4.45Å; R207-W297 HydrophobicContact CB-CZ3 4.3Å; R207-W297 HydrophobicContact CG-CE3 4.34Å; R207-W297 HydrophobicContact CG-CH2 4.25Å; R207-W297 HydrophobicContact CG-CZ3 3.87Å; R207-W297 VanDerWaalsContact CZ-CE2 3.4Å; Y208-W297 WeakPolarHBondContact O-CH2 3.24Å; Y208-W297 WeakPolarHBondContact O-CZ3 3.32Å; F286-W297 WeakPolarHBondContact O-CA 3.44Å; L287-W297 HydrophobicContact CB-CE3 4.2Å; L287-W297 HydrophobicContact CB-CH2 4Å; L287-W297 HydrophobicContact CB-CZ2 4.43Å; L287-W297 HydrophobicContact CB-CZ3 3.89Å; L287-W297 HydrophobicContact CD1-CD2 4.29Å; L287-W297 HydrophobicContact CD1-CH2 4.4Å; L287-W297 HydrophobicContact CD1-CZ2 3.97Å; L287-W297 HydrophobicContact CD2-CH2 4.26Å; L287-W297 HydrophobicContact CD2-CZ2 4.32Å; L287-W297 HydrophobicContact CG-CH2 4.48Å; L287-W297 HydrophobicContact CG-CZ2 4.49Å; P295-W297 VanDerWaalsContact O-CD1 3.31Å
298	G	92.1	Very high	85	Confident	8 Å²	8	77.5 Å²	77.5	8%	0.082	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.8	-177.1	176.4	0	0	0	0	0	114.5	A284 F286 N300	A284-G298 CarbonylContact O-C 3.38Å; F286-G298 WeakPolarHBondContact CA-O 3.45Å; F286-G298 WeakPolarHBondContact CB-O 3.46Å; F286-G298 PolarHBondContact N-O 3.05Å; F286-G298 PolarHBondContact O-N 2.98Å; G298-N300 PolarHBondContact O-N 2.95Å
299	P	95.2	Very high	85	Confident	55 Å²	55	73.2 Å²	73.2	36%	0.357	36%	0.357	S	S	.	.			trans	-72.5	125	-172.5	27.6	-34.5	0	0	0	111.9	C283 A284 F480 M483	C283-P299 WeakPolarHBondContact O-CA 3.04Å; A284-P299 VanDerWaalsContact O-CA 3.3Å; A284-P299 WeakPolarHBondContact O-CA 3.48Å; A284-P299 VanDerWaalsContact O-N 3.12Å; P299-F480 HydrophobicContact CB-CE1 3.95Å; P299-F480 HydrophobicContact CB-CZ 4.23Å; P299-M483 HydrophobicContact CB-CE 4.1Å; P299-M483 HydrophobicContact CB-SD 3.9Å; P299-M483 HydrophobicContact CG-CE 3.64Å; P299-M483 HydrophobicContact CG-SD 3.82Å
300	N	95	Very high	85.1	Confident	35 Å²	35	69.7 Å²	69.7	19%	0.187	34%	0.339	C	S	.	.			trans	-103.2	97.7	173.3	-173.5	-20.5	0	0	0	111.1	C283 F286 L288 G298 Q302 E303 F304	C283-N300 PolarHBondContact O-N 3.43Å; F286-N300 HydrophobicContact CB-CB 3.55Å; F286-N300 HydrophobicContact CD1-CB 3.97Å; F286-N300 WeakPolarHBondContact CD1-ND2 3.45Å; F286-N300 HydrophobicContact CD2-CB 4.14Å; F286-N300 WeakPolarHBondContact CE1-ND2 3.34Å; F286-N300 HydrophobicContact CG-CB 3.62Å; L288-N300 HydrophobicContact CD2-CB 4.29Å; G298-N300 PolarHBondContact O-N 2.95Å; N300-Q302 VanDerWaalsContact C-N 3.29Å; N300-Q302 PolarHBondContact O-N 2.91Å; N300-Q302 PolarHBondContact OD1-N 2.85Å; N300-Q302 VanDerWaalsContact OD1-N 3.08Å; N300-E303 HydrophobicContact CB-CB 4.12Å; N300-E303 PolarHBondContact O-N 3Å; N300-E303 PolarHBondContact OD1-N 3.38Å; N300-F304 PolarHBondContact O-N 3.23Å
301	I	93.6	Very high	85.7	Confident	19 Å²	19	66.8 Å²	66.8	10%	0.097	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-34.3	-178.8	-59.3	171.5	0	0	0	111.8	F304 R305 F480 M483 L484 K487	I301-F304 PolarHBondContact O-N 3.06Å; I301-R305 HydrophobicContact CG2-CG 4.39Å; I301-R305 WeakPolarHBondContact O-CB 3.47Å; I301-R305 WeakPolarHBondContact O-CG 3.41Å; I301-R305 PolarHBondContact O-N 3.24Å; I301-F480 HydrophobicContact CG1-CD1 4.41Å; I301-F480 HydrophobicContact CG1-CE1 4.49Å; I301-M483 HydrophobicContact CD1-CB 3.68Å; I301-M483 HydrophobicContact CD1-CG 4.48Å; I301-M483 HydrophobicContact CD1-SD 4.38Å; I301-M483 HydrophobicContact CG1-CB 4.33Å; I301-M483 HydrophobicContact CG1-SD 4.41Å; I301-L484 HydrophobicContact CG2-CD2 3.58Å; I301-L484 HydrophobicContact CG2-CG 4.28Å; I301-K487 HydrophobicContact CD1-CD 3.87Å
302	Q	92.3	Very high	86.6	Confident	116 Å²	116	71 Å²	71	54%	0.542	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-42.4	-179.3	-173.8	60.7	30.1	0	0	111	N300 F304 R305 R306	N300-Q302 VanDerWaalsContact C-N 3.29Å; N300-Q302 PolarHBondContact O-N 2.91Å; N300-Q302 PolarHBondContact OD1-N 2.85Å; N300-Q302 VanDerWaalsContact OD1-N 3.08Å; Q302-F304 VanDerWaalsContact C-N 3.33Å; Q302-R305 PolarHBondContact O-N 3.47Å; Q302-R306 WeakPolarHBondContact O-CB 3.13Å; Q302-R306 PolarHBondContact O-N 3.2Å
303	E	93.3	Very high	87.7	Confident	22 Å²	22	58.3 Å²	58.3	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-37	175.5	-175.2	64.2	-178.3	0	0	111.5	L282 F286 N300 R306 R307	L282-E303 HydrophobicContact CD1-CG 4.19Å; F286-E303 HydrophobicContact CD2-CB 4.47Å; F286-E303 HydrophobicContact CD2-CG 4.26Å; F286-E303 HydrophobicContact CE2-CB 4.36Å; F286-E303 HydrophobicContact CE2-CG 3.98Å; N300-E303 HydrophobicContact CB-CB 4.12Å; N300-E303 PolarHBondContact O-N 3Å; N300-E303 PolarHBondContact OD1-N 3.38Å; E303-R306 VanDerWaalsContact CD-NH2 3.25Å; E303-R306 IonicContact OE1-CZ 3.84Å; E303-R306 IonicContact OE1-NE 3.23Å; E303-R306 IonicContact OE1-NH2 2.83Å; E303-R306 PolarHBondContact OE1-NH2 3.09Å; E303-R306 IonicContact OE2-CZ 3.73Å; E303-R306 VanDerWaalsContact OE2-CZ 3.23Å; E303-R306 IonicContact OE2-NE 3.58Å; E303-R306 PolarHBondContact OE2-NE 3.35Å; E303-R306 IonicContact OE2-NH2 3.64Å; E303-R306 PolarHBondContact OE2-NH2 3.44Å; E303-R307 WeakPolarHBondContact O-CG 3.41Å; E303-R307 PolarHBondContact O-N 3.13Å; E303-R307 IonicContact OE1-CZ 3.03Å; E303-R307 IonicContact OE1-NE 3.79Å; E303-R307 PolarHBondContact OE1-NE 3.48Å; E303-R307 IonicContact OE1-NH2 3.57Å; E303-R307 PolarHBondContact OE1-NH2 2.02Å
304	F	94.7	Very high	88.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-50.1	172.4	-177.8	-94.1	0	0	0	111.8	L53 I280 C283 N300 I301 Q302 R306 R307 F308 L477 F480 L484	L53-F304 HydrophobicContact CD1-CE1 3.94Å; L53-F304 HydrophobicContact CD1-CZ 4.36Å; I280-F304 HydrophobicContact CG1-CE2 4.48Å; C283-F304 HydrophobicContact CB-CB 4.17Å; C283-F304 HydrophobicContact CB-CD2 4.35Å; N300-F304 PolarHBondContact O-N 3.23Å; I301-F304 PolarHBondContact O-N 3.06Å; Q302-F304 VanDerWaalsContact C-N 3.33Å; F304-R306 PolarHBondContact O-N 3.2Å; F304-R307 PolarHBondContact O-N 2.9Å; F304-R307 VanDerWaalsContact O-N 3.16Å; F304-F308 AromaticContact CD2-CD2 3.63Å; F304-F308 HydrophobicContact CD2-CD2 3.63Å; F304-F308 HydrophobicContact CD2-CE2 4.14Å; F304-F308 HydrophobicContact CE1-CB 4.36Å; F304-F308 HydrophobicContact CE2-CB 4.42Å; F304-F308 AromaticContact CE2-CD2 3.57Å; F304-F308 HydrophobicContact CE2-CD2 3.57Å; F304-F308 HydrophobicContact CE2-CE2 4.12Å; F304-F308 HydrophobicContact CE2-CG 4.2Å; F304-F308 HydrophobicContact CG-CD2 4.29Å; F304-F308 HydrophobicContact CZ-CB 4.17Å; F304-F308 HydrophobicContact CZ-CD2 4.17Å; F304-F308 HydrophobicContact CZ-CG 4.41Å; F304-F308 PolarHBondContact O-N 2.93Å; F304-L477 HydrophobicContact CE2-CD2 3.68Å; F304-L477 HydrophobicContact CZ-CD2 3.71Å; F304-F480 HydrophobicContact CB-CD1 4.07Å; F304-F480 HydrophobicContact CB-CE1 3.89Å; F304-F480 HydrophobicContact CB-CG 4.49Å; F304-F480 HydrophobicContact CB-CZ 4.14Å; F304-F480 HydrophobicContact CD1-CB 4.22Å; F304-F480 HydrophobicContact CD1-CD1 4.27Å; F304-F480 HydrophobicContact CD1-CG 4.14Å; F304-F480 HydrophobicContact CD2-CB 4.47Å; F304-F480 HydrophobicContact CD2-CD1 4.26Å; F304-F480 AromaticContact CD2-CD2 3.52Å; F304-F480 HydrophobicContact CD2-CD2 3.52Å; F304-F480 HydrophobicContact CD2-CE1 4.4Å; F304-F480 AromaticContact CD2-CE2 3.69Å; F304-F480 HydrophobicContact CD2-CE2 3.69Å; F304-F480 AromaticContact CD2-CG 3.83Å; F304-F480 HydrophobicContact CD2-CG 3.83Å; F304-F480 HydrophobicContact CD2-CZ 4.14Å; F304-F480 HydrophobicContact CE1-CB 4.06Å; F304-F480 HydrophobicContact CE1-CG 4.37Å; F304-F480 HydrophobicContact CE2-CB 4.32Å; F304-F480 AromaticContact CE2-CD2 3.7Å; F304-F480 HydrophobicContact CE2-CD2 3.7Å; F304-F480 HydrophobicContact CE2-CE2 4.24Å; F304-F480 HydrophobicContact CE2-CG 4.08Å; F304-F480 HydrophobicContact CG-CB 4.42Å; F304-F480 AromaticContact CG-CD1 3.92Å; F304-F480 HydrophobicContact CG-CD1 3.92Å; F304-F480 HydrophobicContact CG-CD2 4.04Å; F304-F480 HydrophobicContact CG-CE1 4.15Å; F304-F480 HydrophobicContact CG-CE2 4.26Å; F304-F480 AromaticContact CG-CG 3.87Å; F304-F480 HydrophobicContact CG-CG 3.87Å; F304-F480 HydrophobicContact CG-CZ 4.32Å; F304-F480 HydrophobicContact CZ-CB 4.12Å; F304-F480 HydrophobicContact CZ-CD2 4.34Å; F304-F480 HydrophobicContact CZ-CG 4.34Å; F304-L484 HydrophobicContact CD1-CD1 4.37Å; F304-L484 HydrophobicContact CE1-CD1 4.2Å
305	R	92.1	Very high	88.8	Confident	58 Å²	58	53.5 Å²	53.5	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-47.8	177.3	-78.8	179.4	171.6	176	-7.7	111.7	D49 I301 Q302 R307 F308 D309 L484	D49-R305 IonicContact OD2-NH2 3.53Å; I301-R305 HydrophobicContact CG2-CG 4.39Å; I301-R305 WeakPolarHBondContact O-CB 3.47Å; I301-R305 WeakPolarHBondContact O-CG 3.41Å; I301-R305 PolarHBondContact O-N 3.24Å; Q302-R305 PolarHBondContact O-N 3.47Å; R305-R307 PolarHBondContact O-N 2.97Å; R305-R307 VanDerWaalsContact O-N 3.07Å; R305-F308 PolarHBondContact O-N 3.48Å; R305-D309 HydrophobicContact CB-CB 4.1Å; R305-D309 HydrophobicContact CG-CB 4.42Å; R305-D309 WeakPolarHBondContact O-CA 3.29Å; R305-D309 WeakPolarHBondContact O-CB 3.14Å; R305-D309 PolarHBondContact O-N 2.92Å; R305-L484 HydrophobicContact CG-CD2 4.18Å
306	R	92.3	Very high	89.1	Confident	140 Å²	140	52.5 Å²	52.5	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-55.3	-31.7	178.4	-171.2	176	74.4	120.6	1.2	113.4	Q302 E303 F304	Q302-R306 WeakPolarHBondContact O-CB 3.13Å; Q302-R306 PolarHBondContact O-N 3.2Å; E303-R306 VanDerWaalsContact CD-NH2 3.25Å; E303-R306 IonicContact OE1-CZ 3.84Å; E303-R306 IonicContact OE1-NE 3.23Å; E303-R306 IonicContact OE1-NH2 2.83Å; E303-R306 PolarHBondContact OE1-NH2 3.09Å; E303-R306 IonicContact OE2-CZ 3.73Å; E303-R306 VanDerWaalsContact OE2-CZ 3.23Å; E303-R306 IonicContact OE2-NE 3.58Å; E303-R306 PolarHBondContact OE2-NE 3.35Å; E303-R306 IonicContact OE2-NH2 3.64Å; E303-R306 PolarHBondContact OE2-NH2 3.44Å; F304-R306 PolarHBondContact O-N 3.2Å
307	R	92.2	Very high	89.1	Confident	63 Å²	63	50.4 Å²	50.4	24%	0.238	25%	0.25	C	S	.	.	H	α-helix	trans	-94.3	-28.8	-175.2	-71.3	178.3	179.5	-92	-0.7	114.5	N279 E303 F304 R305 T313 R320	N279-R307 PolarHBondContact OD1-NH1 3.26Å; E303-R307 WeakPolarHBondContact O-CG 3.41Å; E303-R307 PolarHBondContact O-N 3.13Å; E303-R307 IonicContact OE1-CZ 3.03Å; E303-R307 IonicContact OE1-NE 3.79Å; E303-R307 PolarHBondContact OE1-NE 3.48Å; E303-R307 IonicContact OE1-NH2 3.57Å; E303-R307 PolarHBondContact OE1-NH2 2.02Å; F304-R307 PolarHBondContact O-N 2.9Å; F304-R307 VanDerWaalsContact O-N 3.16Å; R305-R307 PolarHBondContact O-N 2.97Å; R305-R307 VanDerWaalsContact O-N 3.07Å; R307-T313 WeakPolarHBondContact O-CG2 3.48Å; R307-R320 PolarHBondContact O-NH1 3.17Å
308	F	92.5	Very high	89	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-128.9	-14.8	-168.2	-63	-69.5	0	0	0	114.5	C52 N279 I280 F304 R305 G317 R320 L321	C52-F308 WeakPolarHBondContact CB-O 3.36Å; C52-F308 PolarHBondContact SG-O 2.92Å; N279-F308 HydrophobicContact CB-CE2 4.17Å; N279-F308 HydrophobicContact CB-CZ 3.77Å; I280-F308 HydrophobicContact CD1-CZ 4.4Å; I280-F308 HydrophobicContact CG1-CE2 3.81Å; I280-F308 HydrophobicContact CG1-CZ 3.76Å; F304-F308 AromaticContact CD2-CD2 3.63Å; F304-F308 HydrophobicContact CD2-CD2 3.63Å; F304-F308 HydrophobicContact CD2-CE2 4.14Å; F304-F308 HydrophobicContact CE1-CB 4.36Å; F304-F308 HydrophobicContact CE2-CB 4.42Å; F304-F308 AromaticContact CE2-CD2 3.57Å; F304-F308 HydrophobicContact CE2-CD2 3.57Å; F304-F308 HydrophobicContact CE2-CE2 4.12Å; F304-F308 HydrophobicContact CE2-CG 4.2Å; F304-F308 HydrophobicContact CG-CD2 4.29Å; F304-F308 HydrophobicContact CZ-CB 4.17Å; F304-F308 HydrophobicContact CZ-CD2 4.17Å; F304-F308 HydrophobicContact CZ-CG 4.41Å; F304-F308 PolarHBondContact O-N 2.93Å; R305-F308 PolarHBondContact O-N 3.48Å; F308-G317 WeakPolarHBondContact O-CA 3.43Å; F308-R320 HydrophobicContact CE1-CB 4.43Å; F308-L321 HydrophobicContact CB-CD1 4.12Å; F308-L321 HydrophobicContact CD1-CD1 4.11Å; F308-L321 HydrophobicContact CD1-CD2 3.66Å; F308-L321 HydrophobicContact CD1-CG 3.71Å; F308-L321 HydrophobicContact CE1-CD2 3.73Å; F308-L321 HydrophobicContact CE1-CG 4.2Å; F308-L321 HydrophobicContact CG-CD1 4.32Å; F308-L321 HydrophobicContact CG-CD2 4.27Å; F308-L321 HydrophobicContact CG-CG 4.38Å; F308-L321 HydrophobicContact CZ-CD2 4.4Å
309	D	87.4	Confident	88.7	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.032	26%	0.255	C	S	.	.			trans	-68.9	139.6	-178.9	-165.4	-94.7	0	0	0	112.3	C52 R305 A311 E312 T313	C52-D309 PolarHBondContact N-OD2 3.37Å; R305-D309 HydrophobicContact CB-CB 4.1Å; R305-D309 HydrophobicContact CG-CB 4.42Å; R305-D309 WeakPolarHBondContact O-CA 3.29Å; R305-D309 WeakPolarHBondContact O-CB 3.14Å; R305-D309 PolarHBondContact O-N 2.92Å; D309-A311 VanDerWaalsContact C-N 3.33Å; D309-A311 PolarHBondContact O-N 3.04Å; D309-A311 WeakPolarHBondContact OD1-CB 3.3Å; D309-A311 PolarHBondContact OD1-N 3.24Å; D309-E312 HydrophobicContact CB-CB 4.28Å; D309-E312 HydrophobicContact CB-CG 4.18Å; D309-E312 PolarHBondContact O-N 2.92Å; D309-T313 VanDerWaalsContact O-CB 3.3Å; D309-T313 WeakPolarHBondContact O-CB 3.26Å; D309-T313 WeakPolarHBondContact O-CG2 3.5Å; D309-T313 PolarHBondContact O-N 3.32Å; D309-T313 PolarHBondContact O-OG1 3.09Å
310	T	82.8	Confident	88.5	Confident	25 Å²	25	52 Å²	52	15%	0.153	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-37.9	-174.8	26.8	0	0	0	0	111.6	Q50 C52 K314 G315 T318	Q50-T310 PolarHBondContact O-OG1 3.42Å; C52-T310 WeakPolarHBondContact CA-OG1 3.49Å; C52-T310 HydrophobicContact CB-CG2 3.88Å; C52-T310 PolarHBondContact N-OG1 3.1Å; T310-K314 WeakPolarHBondContact O-CA 3.31Å; T310-K314 PolarHBondContact O-N 3.29Å; T310-G315 PolarHBondContact O-N 2.95Å; T310-G315 VanDerWaalsContact O-N 3.12Å; T310-T318 WeakPolarHBondContact CG2-OG1 3.33Å
311	A	82.5	Confident	88.4	Confident	77 Å²	77	50.4 Å²	50.4	64%	0.636	24%	0.24	S	C	*	.	H	α-helix	trans	-69.8	-44.6	178.7	0	0	0	0	0	111.2	D309	D309-A311 VanDerWaalsContact C-N 3.33Å; D309-A311 PolarHBondContact O-N 3.04Å; D309-A311 WeakPolarHBondContact OD1-CB 3.3Å; D309-A311 PolarHBondContact OD1-N 3.24Å
312	E	84.6	Confident	88.3	Confident	123 Å²	123	52.5 Å²	52.5	58%	0.575	25%	0.248	S	C	*	.	H	α-helix	trans	-70.7	-34.4	-178.9	-65.5	-66.2	162	0	0	112.7	D309	D309-E312 HydrophobicContact CB-CB 4.28Å; D309-E312 HydrophobicContact CB-CG 4.18Å; D309-E312 PolarHBondContact O-N 2.92Å
313	T	85.1	Confident	88.2	Confident	18 Å²	18	47.5 Å²	47.5	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-107	3.2	-171.5	67.1	0	0	0	0	114.3	R307 D309 G315 E316 G317	R307-T313 WeakPolarHBondContact O-CG2 3.48Å; D309-T313 VanDerWaalsContact O-CB 3.3Å; D309-T313 WeakPolarHBondContact O-CB 3.26Å; D309-T313 WeakPolarHBondContact O-CG2 3.5Å; D309-T313 PolarHBondContact O-N 3.32Å; D309-T313 PolarHBondContact O-OG1 3.09Å; T313-G315 PolarHBondContact O-N 2.86Å; T313-E316 WeakPolarHBondContact O-CB 3.46Å; T313-E316 PolarHBondContact O-N 3.47Å; T313-G317 PolarHBondContact OG1-N 3.2Å
314	K	84.9	Confident	88.3	Confident	179 Å²	179	46.5 Å²	46.5	78%	0.778	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	42.1	-174.8	-54.1	-179	178.2	-173.4	0	112.4	T310 E316	T310-K314 WeakPolarHBondContact O-CA 3.31Å; T310-K314 PolarHBondContact O-N 3.29Å; K314-E316 VanDerWaalsContact C-N 3.34Å; K314-E316 PolarHBondContact O-N 3.29Å
315	G	78.6	Confident	88.2	Confident	24 Å²	24	46.5 Å²	46.5	25%	0.247	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	-10	179.1	0	0	0	0	0	116.6	T310 T313 G317 T318 R319	T310-G315 PolarHBondContact O-N 2.95Å; T310-G315 VanDerWaalsContact O-N 3.12Å; T313-G315 PolarHBondContact O-N 2.86Å; G315-G317 VanDerWaalsContact C-N 3.3Å; G315-G317 PolarHBondContact O-N 2.96Å; G315-T318 PolarHBondContact O-N 2.93Å; G315-R319 PolarHBondContact O-N 2.95Å
316	E	83.4	Confident	88.1	Confident	36 Å²	36	43.8 Å²	43.8	17%	0.168	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-33.1	179.6	-72.2	-60.9	117.1	0	0	113.2	Y254 T313 K314 T318 R319 R320	Y254-E316 WeakPolarHBondContact CE2-OE1 3.48Å; Y254-E316 WeakPolarHBondContact CE2-OE2 3.45Å; Y254-E316 PolarHBondContact OH-OE2 3.22Å; T313-E316 WeakPolarHBondContact O-CB 3.46Å; T313-E316 PolarHBondContact O-N 3.47Å; K314-E316 VanDerWaalsContact C-N 3.34Å; K314-E316 PolarHBondContact O-N 3.29Å; E316-T318 PolarHBondContact O-N 3.37Å; E316-R319 PolarHBondContact O-N 3.04Å; E316-R319 IonicContact OE1-CZ 2.73Å; E316-R319 IonicContact OE1-NH1 2.76Å; E316-R319 PolarHBondContact OE1-NH1 2.95Å; E316-R320 VanDerWaalsContact O-CG 3.28Å; E316-R320 WeakPolarHBondContact O-CG 3.34Å; E316-R320 PolarHBondContact O-N 3.34Å
317	G	86.5	Confident	88.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.7	-46.7	176.4	0	0	0	0	0	112.7	F308 T313 G315 R319 R320 L321	F308-G317 WeakPolarHBondContact O-CA 3.43Å; T313-G317 PolarHBondContact OG1-N 3.2Å; G315-G317 VanDerWaalsContact C-N 3.3Å; G315-G317 PolarHBondContact O-N 2.96Å; G317-R319 PolarHBondContact O-N 3.33Å; G317-R320 WeakPolarHBondContact O-CB 3.33Å; G317-R320 PolarHBondContact O-N 3.2Å; G317-L321 WeakPolarHBondContact O-CG 3.03Å; G317-L321 PolarHBondContact O-N 2.94Å
318	T	86.9	Confident	88.4	Confident	15 Å²	15	34.2 Å²	34.2	9%	0.092	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-41.7	177	-54.2	0	0	0	0	111.7	H55 L56 T310 G315 E316 L321 K322	H55-T318 HydrophobicContact CB-CG2 4.26Å; L56-T318 HydrophobicContact CG-CG2 4.3Å; T310-T318 WeakPolarHBondContact CG2-OG1 3.33Å; G315-T318 PolarHBondContact O-N 2.93Å; E316-T318 PolarHBondContact O-N 3.37Å; T318-L321 PolarHBondContact O-N 3.41Å; T318-K322 PolarHBondContact O-N 3.45Å
319	R	86.2	Confident	88.3	Confident	79 Å²	79	34.3 Å²	34.3	30%	0.298	18%	0.175	S	C	.	.	H	α-helix	trans	-62.4	-43	176.8	-66.8	178.4	173.3	162.5	-5.2	111.9	G315 E316 G317 L321 K322 N323	G315-R319 PolarHBondContact O-N 2.95Å; E316-R319 PolarHBondContact O-N 3.04Å; E316-R319 IonicContact OE1-CZ 2.73Å; E316-R319 IonicContact OE1-NH1 2.76Å; E316-R319 PolarHBondContact OE1-NH1 2.95Å; G317-R319 PolarHBondContact O-N 3.33Å; R319-L321 PolarHBondContact O-N 3.15Å; R319-K322 WeakPolarHBondContact O-CB 3.44Å; R319-K322 PolarHBondContact O-N 2.97Å; R319-N323 PolarHBondContact O-N 3.18Å; R319-N323 VanDerWaalsContact O-N 3.08Å
320	R	92.1	Very high	88.4	Confident	58 Å²	58	34 Å²	34	22%	0.219	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-42.5	175	-71.8	169.3	-165.7	167.4	3.1	112	S276 R307 F308 E316 G317 N323 L324	S276-R320 WeakPolarHBondContact OG-CB 3.38Å; S276-R320 PolarHBondContact OG-O 3.4Å; R307-R320 PolarHBondContact O-NH1 3.17Å; F308-R320 HydrophobicContact CE1-CB 4.43Å; E316-R320 VanDerWaalsContact O-CG 3.28Å; E316-R320 WeakPolarHBondContact O-CG 3.34Å; E316-R320 PolarHBondContact O-N 3.34Å; G317-R320 WeakPolarHBondContact O-CB 3.33Å; G317-R320 PolarHBondContact O-N 3.2Å; R320-N323 WeakPolarHBondContact O-CB 2.99Å; R320-N323 PolarHBondContact O-N 3.18Å; R320-N323 VanDerWaalsContact O-N 3.14Å; R320-L324 PolarHBondContact O-N 3.2Å; R320-L324 VanDerWaalsContact O-N 3.07Å
321	L	92.9	Very high	88.9	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66	-39.8	176	-66.3	176.4	0	0	0	111.9	L53 L56 I280 F308 G317 T318 R319 N323 L324 Y325 L477	L53-L321 HydrophobicContact CD2-CD1 4.46Å; L56-L321 HydrophobicContact CD1-CB 3.79Å; L56-L321 HydrophobicContact CD1-CD1 3.39Å; L56-L321 HydrophobicContact CD1-CG 4.2Å; L56-L321 HydrophobicContact CD2-CB 4.01Å; L56-L321 HydrophobicContact CG-CB 4.39Å; I280-L321 HydrophobicContact CD1-CD2 3.88Å; F308-L321 HydrophobicContact CB-CD1 4.12Å; F308-L321 HydrophobicContact CD1-CD1 4.11Å; F308-L321 HydrophobicContact CD1-CD2 3.66Å; F308-L321 HydrophobicContact CD1-CG 3.71Å; F308-L321 HydrophobicContact CE1-CD2 3.73Å; F308-L321 HydrophobicContact CE1-CG 4.2Å; F308-L321 HydrophobicContact CG-CD1 4.32Å; F308-L321 HydrophobicContact CG-CD2 4.27Å; F308-L321 HydrophobicContact CG-CG 4.38Å; F308-L321 HydrophobicContact CZ-CD2 4.4Å; G317-L321 WeakPolarHBondContact O-CG 3.03Å; G317-L321 PolarHBondContact O-N 2.94Å; T318-L321 PolarHBondContact O-N 3.41Å; R319-L321 PolarHBondContact O-N 3.15Å; L321-N323 PolarHBondContact O-N 3.17Å; L321-L324 VanDerWaalsContact O-CB 3.3Å; L321-L324 WeakPolarHBondContact O-CB 3.21Å; L321-L324 PolarHBondContact O-N 3.31Å; L321-L324 VanDerWaalsContact O-N 3.09Å; L321-Y325 WeakPolarHBondContact O-CD2 3.36Å; L321-Y325 PolarHBondContact O-N 3.21Å; L321-L477 HydrophobicContact CD1-CD2 4.35Å; L321-L477 HydrophobicContact CD2-CD1 4.03Å; L321-L477 HydrophobicContact CD2-CD2 3.7Å; L321-L477 HydrophobicContact CD2-CG 4.5Å
322	K	90	Very high	89.5	Confident	64 Å²	64	29.4 Å²	29.4	28%	0.278	14%	0.137	S	C	.	.	H	α-helix	trans	-57.9	-36.8	170.4	-72.1	-177.4	172	-168	0	112.4	L60 D61 T318 R319 Y325 F326	L60-K322 HydrophobicContact CD2-CB 4.09Å; L60-K322 HydrophobicContact CD2-CG 4.17Å; D61-K322 IonicContact OD2-NZ 2.7Å; T318-K322 PolarHBondContact O-N 3.45Å; R319-K322 WeakPolarHBondContact O-CB 3.44Å; R319-K322 PolarHBondContact O-N 2.97Å; K322-Y325 PolarHBondContact O-N 2.89Å; K322-F326 PolarHBondContact O-N 3.25Å
323	N	91.8	Very high	89.6	Confident	11 Å²	11	25.4 Å²	25.4	6%	0.059	12%	0.117	C	C	.	.	H	α-helix	trans	-69.2	-31.2	175.8	-68.8	-22.8	0	0	0	113.1	R269 S272 G273 R319 R320 L321 F326 L327	R269-N323 WeakPolarHBondContact CG-OD1 3.31Å; R269-N323 PolarHBondContact NE-OD1 3.43Å; R269-N323 VanDerWaalsContact NE-OD1 3.17Å; S272-N323 WeakPolarHBondContact CB-ND2 3.37Å; S272-N323 PolarHBondContact OG-ND2 3.47Å; G273-N323 WeakPolarHBondContact CA-O 3.23Å; R319-N323 PolarHBondContact O-N 3.18Å; R319-N323 VanDerWaalsContact O-N 3.08Å; R320-N323 WeakPolarHBondContact O-CB 2.99Å; R320-N323 PolarHBondContact O-N 3.18Å; R320-N323 VanDerWaalsContact O-N 3.14Å; L321-N323 PolarHBondContact O-N 3.17Å; N323-F326 PolarHBondContact O-N 2.94Å; N323-L327 PolarHBondContact O-N 3.43Å
324	L	95.8	Very high	89.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-50.3	170.6	175.3	74.4	0	0	0	111.2	I280 R320 L321 F326 L327 Y328 L470 I474 L477	I280-L324 HydrophobicContact CD1-CD2 3.49Å; I280-L324 VanDerWaalsContact CD1-CD2 3.49Å; R320-L324 PolarHBondContact O-N 3.2Å; R320-L324 VanDerWaalsContact O-N 3.07Å; L321-L324 VanDerWaalsContact O-CB 3.3Å; L321-L324 WeakPolarHBondContact O-CB 3.21Å; L321-L324 PolarHBondContact O-N 3.31Å; L321-L324 VanDerWaalsContact O-N 3.09Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 2.89Å; L324-L327 PolarHBondContact O-N 3.48Å; L324-Y328 PolarHBondContact O-N 3.25Å; L324-L470 HydrophobicContact CD1-CD2 3.88Å; L324-I474 HydrophobicContact CD2-CG1 4.43Å; L324-L477 HydrophobicContact CD2-CD1 3.67Å
325	Y	92.5	Very high	90.4	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.8	-38.4	178	-75.1	-79.8	0	0	0	111.8	L56 V67 I70 D71 L321 K322 Y328 L329 I474 L477 R481	L56-Y325 HydrophobicContact CD2-CD2 4.23Å; L56-Y325 HydrophobicContact CD2-CE2 3.92Å; V67-Y325 HydrophobicContact CG1-CD1 4.44Å; V67-Y325 HydrophobicContact CG1-CD2 4.4Å; V67-Y325 HydrophobicContact CG1-CE1 3.82Å; V67-Y325 HydrophobicContact CG1-CE2 3.81Å; V67-Y325 VanDerWaalsContact CG1-CZ 3.47Å; I70-Y325 HydrophobicContact CB-CD1 4.24Å; I70-Y325 HydrophobicContact CB-CE1 4.35Å; I70-Y325 HydrophobicContact CD1-CD1 4.05Å; I70-Y325 HydrophobicContact CG2-CD1 3.87Å; I70-Y325 HydrophobicContact CG2-CE1 4.1Å; D71-Y325 VanDerWaalsContact OD1-CE1 3.28Å; D71-Y325 WeakPolarHBondContact OD1-CE1 3.44Å; D71-Y325 PolarHBondContact OD1-OH 3.41Å; D71-Y325 PolarHBondContact OD2-OH 3.48Å; L321-Y325 WeakPolarHBondContact O-CD2 3.36Å; L321-Y325 PolarHBondContact O-N 3.21Å; K322-Y325 PolarHBondContact O-N 2.89Å; Y325-Y328 WeakPolarHBondContact O-CB 3.44Å; Y325-Y328 PolarHBondContact O-N 2.81Å; Y325-L329 WeakPolarHBondContact O-CG 3.32Å; Y325-L329 PolarHBondContact O-N 2.89Å; Y325-I474 HydrophobicContact CD1-CD1 4Å; Y325-I474 HydrophobicContact CD1-CG1 4.41Å; Y325-I474 HydrophobicContact CE1-CD1 3.96Å; Y325-I474 HydrophobicContact CE1-CG1 4.04Å; Y325-I474 HydrophobicContact CE1-CG2 4.17Å; Y325-L477 HydrophobicContact CE2-CD1 4.08Å; Y325-R481 PolarHBondContact OH-NH2 2.96Å; Y325-R481 VanDerWaalsContact OH-NH2 3.14Å
326	F	90.1	Very high	91	Very high	2 Å²	2	16 Å²	16	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-59.7	-49.4	173.3	175.5	-98.4	0	0	0	112.5	V266 R269 L270 K322 N323 L324 Y328 L329 I330 M383	V266-F326 HydrophobicContact CG1-CZ 4.42Å; V266-F326 HydrophobicContact CG2-CZ 4.47Å; R269-F326 HydrophobicContact CB-CD1 3.54Å; R269-F326 HydrophobicContact CB-CE1 3.52Å; R269-F326 HydrophobicContact CB-CG 4.37Å; R269-F326 HydrophobicContact CB-CZ 4.32Å; R269-F326 VanDerWaalsContact NH2-CD2 3.33Å; L270-F326 HydrophobicContact CD2-CD1 4.3Å; L270-F326 HydrophobicContact CD2-CE1 3.92Å; L270-F326 HydrophobicContact CG-CE1 4.29Å; K322-F326 PolarHBondContact O-N 3.25Å; N323-F326 PolarHBondContact O-N 2.94Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 2.89Å; F326-Y328 VanDerWaalsContact C-N 3.32Å; F326-Y328 PolarHBondContact O-N 2.86Å; F326-L329 PolarHBondContact O-N 3.5Å; F326-I330 HydrophobicContact CD1-CG1 4.45Å; F326-I330 HydrophobicContact CE1-CG1 4.19Å; F326-I330 HydrophobicContact CZ-CD1 4.43Å; F326-I330 HydrophobicContact CZ-CG1 4.27Å; F326-I330 WeakPolarHBondContact O-CG1 3.22Å; F326-I330 PolarHBondContact O-N 3.47Å; F326-M383 HydrophobicContact CE1-CE 4.42Å; F326-M383 HydrophobicContact CE2-CE 3.74Å; F326-M383 HydrophobicContact CZ-CE 3.32Å
327	L	94.1	Very high	91.1	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-59.9	-43.4	176.2	174	61.9	0	0	0	111.5	L270 L274 N323 L324 L329 I330 E331 L428 L470	L270-L327 HydrophobicContact CB-CD1 4.4Å; L270-L327 HydrophobicContact CD2-CD1 3.66Å; L274-L327 HydrophobicContact CB-CD2 3.86Å; N323-L327 PolarHBondContact O-N 3.43Å; L324-L327 PolarHBondContact O-N 3.48Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 3.27Å; L327-I330 PolarHBondContact O-N 2.91Å; L327-E331 HydrophobicContact CD1-CG 4.4Å; L327-E331 PolarHBondContact O-N 2.84Å; L327-L428 HydrophobicContact CD1-CD1 3.55Å; L327-L428 HydrophobicContact CD1-CD2 4.04Å; L327-L428 HydrophobicContact CD1-CG 4.4Å; L327-L470 HydrophobicContact CD2-CD1 4.09Å; L327-L470 HydrophobicContact CD2-CD2 3.59Å; L327-L470 HydrophobicContact CD2-CG 4.48Å; L327-L470 HydrophobicContact CG-CD1 3.72Å; L327-L470 HydrophobicContact CG-CD2 4.05Å
328	Y	95.4	Very high	91.4	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.5	-45.7	175.4	175.5	-90.2	0	0	0	112.1	I70 N74 L324 Y325 F326 I330 E331 L332 F467 L470 I474	I70-Y328 HydrophobicContact CG2-CD1 3.81Å; I70-Y328 HydrophobicContact CG2-CE1 3.65Å; N74-Y328 HydrophobicContact CB-CE2 4.49Å; N74-Y328 WeakPolarHBondContact OD1-CE2 3.25Å; N74-Y328 PolarHBondContact OD1-OH 3.45Å; L324-Y328 PolarHBondContact O-N 3.25Å; Y325-Y328 WeakPolarHBondContact O-CB 3.44Å; Y325-Y328 PolarHBondContact O-N 2.81Å; F326-Y328 VanDerWaalsContact C-N 3.32Å; F326-Y328 PolarHBondContact O-N 2.86Å; Y328-I330 VanDerWaalsContact C-N 3.35Å; Y328-I330 PolarHBondContact O-N 3.23Å; Y328-E331 PolarHBondContact O-N 2.86Å; Y328-L332 HydrophobicContact CE1-CD2 4.03Å; Y328-L332 WeakPolarHBondContact O-CB 3.47Å; Y328-L332 PolarHBondContact O-N 3.04Å; Y328-F467 HydrophobicContact CD2-CD2 4.29Å; Y328-F467 AromaticContact CD2-CE2 3.57Å; Y328-F467 HydrophobicContact CD2-CE2 3.57Å; Y328-F467 HydrophobicContact CD2-CZ 4.2Å; Y328-F467 HydrophobicContact CE1-CE2 4.49Å; Y328-F467 HydrophobicContact CE2-CD2 4.31Å; Y328-F467 AromaticContact CE2-CE2 3.31Å; Y328-F467 HydrophobicContact CE2-CE2 3.31Å; Y328-F467 AromaticContact CE2-CZ 3.45Å; Y328-F467 HydrophobicContact CE2-CZ 3.45Å; Y328-F467 VanDerWaalsContact CE2-CZ 3.45Å; Y328-F467 HydrophobicContact CG-CE2 4.28Å; Y328-F467 AromaticContact CZ-CE2 3.82Å; Y328-F467 AromaticContact CZ-CZ 3.7Å; Y328-L470 HydrophobicContact CD2-CB 4Å; Y328-I474 HydrophobicContact CD1-CD1 3.85Å; Y328-I474 HydrophobicContact CD2-CD1 3.44Å; Y328-I474 VanDerWaalsContact CD2-CD1 3.44Å; Y328-I474 HydrophobicContact CE1-CD1 4.26Å; Y328-I474 HydrophobicContact CE2-CD1 3.88Å; Y328-I474 HydrophobicContact CG-CD1 3.43Å; Y328-I474 VanDerWaalsContact CG-CD1 3.43Å
329	L	91.1	Very high	91.6	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-65.7	-36.1	178.3	-71	174.1	0	0	0	112.7	L60 C63 C65 I70 Y325 F326 L327 L332 R333 F374 M376	L60-L329 HydrophobicContact CD1-CD1 3.66Å; C63-L329 HydrophobicContact CB-CD1 3.74Å; C65-L329 HydrophobicContact CB-CD1 4.43Å; I70-L329 HydrophobicContact CD1-CD1 3.95Å; I70-L329 HydrophobicContact CD1-CD2 4.02Å; I70-L329 HydrophobicContact CD1-CG 4.12Å; I70-L329 HydrophobicContact CG1-CD2 4.35Å; Y325-L329 WeakPolarHBondContact O-CG 3.32Å; Y325-L329 PolarHBondContact O-N 2.89Å; F326-L329 PolarHBondContact O-N 3.5Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 3.27Å; L329-L332 HydrophobicContact CD2-CD2 4.26Å; L329-L332 PolarHBondContact O-N 2.92Å; L329-R333 WeakPolarHBondContact O-CB 3.34Å; L329-R333 PolarHBondContact O-N 3.3Å; L329-F374 HydrophobicContact CD2-CE1 4Å; L329-M376 HydrophobicContact CD2-SD 4.46Å
330	I	88.6	Confident	91.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-64.2	-47.8	176.5	-68.6	-69.9	0	0	0	110.9	L270 F326 L327 Y328 R333 A334 F378 M383 L435	L270-I330 HydrophobicContact CD2-CB 4.1Å; L270-I330 HydrophobicContact CD2-CG1 4.02Å; L270-I330 HydrophobicContact CD2-CG2 3.96Å; F326-I330 HydrophobicContact CD1-CG1 4.45Å; F326-I330 HydrophobicContact CE1-CG1 4.19Å; F326-I330 HydrophobicContact CZ-CD1 4.43Å; F326-I330 HydrophobicContact CZ-CG1 4.27Å; F326-I330 WeakPolarHBondContact O-CG1 3.22Å; F326-I330 PolarHBondContact O-N 3.47Å; L327-I330 PolarHBondContact O-N 2.91Å; Y328-I330 VanDerWaalsContact C-N 3.35Å; Y328-I330 PolarHBondContact O-N 3.23Å; I330-R333 PolarHBondContact O-N 3.36Å; I330-A334 PolarHBondContact O-N 3.48Å; I330-F378 HydrophobicContact CD1-CE2 3.77Å; I330-F378 HydrophobicContact CD1-CZ 3.61Å; I330-M383 HydrophobicContact CD1-CE 3.85Å; I330-M383 HydrophobicContact CD1-SD 3.92Å; I330-L435 HydrophobicContact CG2-CD1 3.8Å
331	E	94.7	Very high	91.5	Very high	4 Å²	4	12 Å²	12	2%	0.019	6%	0.06	C	C	.	.	H	α-helix	trans	-67.7	-38.4	176.2	-70.1	-166.8	-170.9	0	0	112	L327 Y328 R333 A334 L335 L428 A431 F467 L470	L327-E331 HydrophobicContact CD1-CG 4.4Å; L327-E331 PolarHBondContact O-N 2.84Å; Y328-E331 PolarHBondContact O-N 2.86Å; E331-R333 VanDerWaalsContact C-N 3.28Å; E331-R333 PolarHBondContact O-N 3.09Å; E331-A334 WeakPolarHBondContact O-CB 3.42Å; E331-A334 PolarHBondContact O-N 3.06Å; E331-A334 VanDerWaalsContact O-N 3.16Å; E331-L335 WeakPolarHBondContact O-CG 3.11Å; E331-L335 PolarHBondContact O-N 3.27Å; E331-L428 HydrophobicContact CG-CD1 4.49Å; E331-A431 HydrophobicContact CG-CB 4.01Å; E331-F467 HydrophobicContact CB-CD2 3.81Å; E331-F467 WeakPolarHBondContact OE2-CA 3.38Å; E331-F467 WeakPolarHBondContact OE2-CB 3.12Å; E331-F467 PolarHBondContact OE2-N 3.16Å; E331-F467 VanDerWaalsContact OE2-N 3.09Å; E331-L470 HydrophobicContact CB-CD1 4.29Å; E331-L470 VanDerWaalsContact CD-CD1 3.43Å; E331-L470 HydrophobicContact CG-CD1 4.06Å; E331-L470 VanDerWaalsContact OE2-CD1 3.31Å; E331-L470 WeakPolarHBondContact OE2-CD1 3.46Å
332	L	93.4	Very high	91.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.9	-39.9	173.1	-171.9	74.5	0	0	0	111.4	F73 Y328 L329 L335 S336 I371 F374 F467	F73-L332 HydrophobicContact CE1-CD1 4.06Å; F73-L332 HydrophobicContact CE1-CD2 4.25Å; Y328-L332 HydrophobicContact CE1-CD2 4.03Å; Y328-L332 WeakPolarHBondContact O-CB 3.47Å; Y328-L332 PolarHBondContact O-N 3.04Å; L329-L332 HydrophobicContact CD2-CD2 4.26Å; L329-L332 PolarHBondContact O-N 2.92Å; L332-L335 PolarHBondContact O-N 3.3Å; L332-S336 WeakPolarHBondContact O-CB 3.43Å; L332-S336 PolarHBondContact O-N 2.82Å; L332-I371 HydrophobicContact CD1-CB 4.24Å; L332-I371 HydrophobicContact CD1-CD1 4.08Å; L332-I371 HydrophobicContact CD1-CG1 3.71Å; L332-I371 HydrophobicContact CD1-CG2 3.76Å; L332-I371 HydrophobicContact CG-CG2 4.11Å; L332-F374 HydrophobicContact CD2-CD1 3.64Å; L332-F374 HydrophobicContact CD2-CE1 4Å; L332-F374 HydrophobicContact CD2-CG 4.26Å; L332-F467 HydrophobicContact CB-CE2 4.07Å; L332-F467 HydrophobicContact CB-CZ 4.45Å; L332-F467 HydrophobicContact CD1-CE1 4.47Å; L332-F467 HydrophobicContact CD1-CE2 4.09Å; L332-F467 HydrophobicContact CD1-CZ 3.61Å
333	R	87.9	Confident	91.1	Very high	40 Å²	40	13.3 Å²	13.3	15%	0.151	7%	0.067	C	C	.	.	H	α-helix	trans	-64.5	-45.3	173.9	-171.8	68.1	179.2	156.1	-12.8	111.9	L329 I330 E331 L335 S336 K337 M376 E380 L435	L329-R333 WeakPolarHBondContact O-CB 3.34Å; L329-R333 PolarHBondContact O-N 3.3Å; I330-R333 PolarHBondContact O-N 3.36Å; E331-R333 VanDerWaalsContact C-N 3.28Å; E331-R333 PolarHBondContact O-N 3.09Å; R333-L335 VanDerWaalsContact C-N 3.3Å; R333-L335 PolarHBondContact O-N 3.02Å; R333-S336 WeakPolarHBondContact O-CB 3.11Å; R333-S336 PolarHBondContact O-N 3.39Å; R333-K337 VanDerWaalsContact NH2-CE 3.29Å; R333-K337 WeakPolarHBondContact O-CG 2.98Å; R333-K337 PolarHBondContact O-N 3.16Å; R333-M376 HydrophobicContact CB-CE 3.77Å; R333-M376 HydrophobicContact CB-SD 3.99Å; R333-M376 HydrophobicContact CG-CE 4.17Å; R333-E380 IonicContact CZ-OE1 3.48Å; R333-E380 IonicContact NE-OE1 3.55Å; R333-E380 PolarHBondContact NE-OE1 3.14Å; R333-E380 IonicContact NH2-OE1 3.22Å; R333-E380 PolarHBondContact NH2-OE1 3.38Å; R333-L435 HydrophobicContact CB-CD2 4.06Å; R333-L435 HydrophobicContact CG-CD2 3.64Å
334	A	91.1	Very high	90.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.8	-46.4	175.4	0	0	0	0	0	110.8	I330 E331 S336 K337 V338 A431 I434 L435	I330-A334 PolarHBondContact O-N 3.48Å; E331-A334 WeakPolarHBondContact O-CB 3.42Å; E331-A334 PolarHBondContact O-N 3.06Å; E331-A334 VanDerWaalsContact O-N 3.16Å; A334-S336 PolarHBondContact O-N 3.02Å; A334-K337 PolarHBondContact O-N 2.82Å; A334-K337 VanDerWaalsContact O-N 3.12Å; A334-V338 WeakPolarHBondContact O-CG1 3.5Å; A334-V338 PolarHBondContact O-N 3.31Å; A334-A431 HydrophobicContact CB-CB 3.69Å; A334-A431 WeakPolarHBondContact CB-O 3.32Å; A334-I434 HydrophobicContact CB-CB 4.23Å; A334-I434 HydrophobicContact CB-CD1 4.45Å; A334-I434 HydrophobicContact CB-CG2 4.1Å; A334-I434 WeakPolarHBondContact O-CG2 3.45Å; A334-L435 HydrophobicContact CB-CD1 4.46Å; A334-L435 HydrophobicContact CB-CD2 4.29Å; A334-L435 HydrophobicContact CB-CG 4.05Å
335	L	94.5	Very high	89.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-41.3	177.2	-68.9	176.2	0	0	0	112.9	E331 L332 R333 K337 A339 F368 I371 L463 M464 F467	E331-L335 WeakPolarHBondContact O-CG 3.11Å; E331-L335 PolarHBondContact O-N 3.27Å; L332-L335 PolarHBondContact O-N 3.3Å; R333-L335 VanDerWaalsContact C-N 3.3Å; R333-L335 PolarHBondContact O-N 3.02Å; L335-K337 VanDerWaalsContact C-N 3.32Å; L335-K337 PolarHBondContact O-N 3.22Å; L335-A339 PolarHBondContact O-N 3.08Å; L335-F368 HydrophobicContact CB-CD1 4.46Å; L335-F368 HydrophobicContact CB-CE1 4.03Å; L335-F368 HydrophobicContact CD2-CE1 3.91Å; L335-F368 HydrophobicContact CD2-CZ 4.48Å; L335-F368 WeakPolarHBondContact O-CD1 3.39Å; L335-F368 WeakPolarHBondContact O-CE1 3.32Å; L335-I371 HydrophobicContact CB-CD1 3.77Å; L335-I371 HydrophobicContact CB-CG2 4.44Å; L335-I371 HydrophobicContact CD1-CD1 3.85Å; L335-I371 HydrophobicContact CG-CD1 4.46Å; L335-L463 HydrophobicContact CD2-CD1 4.42Å; L335-L463 HydrophobicContact CD2-CD2 3.85Å; L335-L463 HydrophobicContact CD2-CG 3.92Å; L335-M464 HydrophobicContact CD2-CE 4.45Å; L335-M464 HydrophobicContact CD2-SD 3.52Å; L335-M464 VanDerWaalsContact CD2-SD 3.52Å; L335-F467 HydrophobicContact CD1-CB 3.9Å; L335-F467 HydrophobicContact CD1-CD1 3.16Å; L335-F467 HydrophobicContact CD1-CD2 3.93Å; L335-F467 HydrophobicContact CD1-CE1 3.62Å; L335-F467 HydrophobicContact CD1-CE2 4.27Å; L335-F467 HydrophobicContact CD1-CG 3.38Å; L335-F467 HydrophobicContact CD1-CZ 4.17Å
336	S	91.4	Very high	88.6	Confident	22 Å²	22	23.2 Å²	23.2	15%	0.154	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-42.3	173.7	-178.5	0	0	0	0	112	L332 R333 A334	L332-S336 WeakPolarHBondContact O-CB 3.43Å; L332-S336 PolarHBondContact O-N 2.82Å; R333-S336 WeakPolarHBondContact O-CB 3.11Å; R333-S336 PolarHBondContact O-N 3.39Å; A334-S336 PolarHBondContact O-N 3.02Å
337	K	87.3	Confident	87.9	Confident	36 Å²	36	24 Å²	24	16%	0.157	13%	0.134	C	C	.	.	H	α-helix	trans	-74.4	-35.5	-177.8	-68.9	-66.6	-174.3	-175.8	0	113.5	R333 A334 L335 A339 P340 I434 L435 E438	R333-K337 VanDerWaalsContact NH2-CE 3.29Å; R333-K337 WeakPolarHBondContact O-CG 2.98Å; R333-K337 PolarHBondContact O-N 3.16Å; A334-K337 PolarHBondContact O-N 2.82Å; A334-K337 VanDerWaalsContact O-N 3.12Å; L335-K337 VanDerWaalsContact C-N 3.32Å; L335-K337 PolarHBondContact O-N 3.22Å; K337-A339 VanDerWaalsContact C-N 3.35Å; K337-P340 VanDerWaalsContact O-CD 3.3Å; K337-P340 WeakPolarHBondContact O-CD 3.25Å; K337-I434 HydrophobicContact CB-CG2 4.04Å; K337-L435 HydrophobicContact CG-CD2 4.48Å; K337-E438 HydrophobicContact CD-CG 4.26Å; K337-E438 WeakPolarHBondContact CE-OE1 3.35Å; K337-E438 VanDerWaalsContact NZ-CD 3.32Å; K337-E438 IonicContact NZ-OE1 2.64Å; K337-E438 PolarHBondContact NZ-OE1 3.08Å; K337-E438 IonicContact NZ-OE2 3.82Å
338	V	90.9	Very high	86.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-82.7	-12	-179.6	75.5	0	0	0	0	112.8	A334 P340 Y341 F342 F368 I434 F453 L455	A334-V338 WeakPolarHBondContact O-CG1 3.5Å; A334-V338 PolarHBondContact O-N 3.31Å; V338-P340 VanDerWaalsContact C-CD 3.4Å; V338-P340 VanDerWaalsContact C-N 3.33Å; V338-P340 VanDerWaalsContact O-N 3.16Å; V338-Y341 HydrophobicContact CG2-CD1 4.44Å; V338-Y341 HydrophobicContact CG2-CG 4.27Å; V338-Y341 WeakPolarHBondContact O-CA 3.49Å; V338-Y341 WeakPolarHBondContact O-CB 3.4Å; V338-Y341 PolarHBondContact O-N 3.24Å; V338-F342 HydrophobicContact CB-CE2 4.37Å; V338-F342 HydrophobicContact CG1-CD2 4.14Å; V338-F342 HydrophobicContact CG1-CE2 3.77Å; V338-F342 HydrophobicContact CG2-CD2 4.16Å; V338-F342 HydrophobicContact CG2-CE2 3.73Å; V338-F368 HydrophobicContact CG1-CE1 4.19Å; V338-F368 HydrophobicContact CG1-CZ 4.24Å; V338-I434 HydrophobicContact CB-CD1 3.86Å; V338-I434 HydrophobicContact CB-CG1 4.14Å; V338-I434 HydrophobicContact CB-CG2 3.87Å; V338-I434 HydrophobicContact CG1-CD1 4.05Å; V338-I434 HydrophobicContact CG2-CD1 3.94Å; V338-I434 HydrophobicContact CG2-CG1 4.09Å; V338-F453 HydrophobicContact CG2-CE1 4.3Å; V338-L455 HydrophobicContact CG2-CD1 3.82Å
339	A	91.6	Very high	86.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-48.7	-43.5	-179.2	0	0	0	0	0	114.8	L335 K337 Y341 F342 E343 F368	L335-A339 PolarHBondContact O-N 3.08Å; K337-A339 VanDerWaalsContact C-N 3.35Å; A339-Y341 PolarHBondContact O-N 3.37Å; A339-F342 PolarHBondContact O-N 2.97Å; A339-F342 VanDerWaalsContact O-N 3.09Å; A339-E343 WeakPolarHBondContact O-CG 3.47Å; A339-E343 PolarHBondContact O-N 3.03Å; A339-E343 VanDerWaalsContact O-N 3.16Å; A339-F368 HydrophobicContact CB-CB 3.78Å; A339-F368 HydrophobicContact CB-CD1 3.91Å; A339-F368 HydrophobicContact CB-CD2 4.25Å; A339-F368 HydrophobicContact CB-CG 3.74Å
340	P	88.6	Confident	85.3	Confident	56 Å²	56	32.5 Å²	32.5	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-59.9	-28.3	175.6	-22.9	35.1	0	0	0	114.1	K337 V338 F342	K337-P340 VanDerWaalsContact O-CD 3.3Å; K337-P340 WeakPolarHBondContact O-CD 3.25Å; V338-P340 VanDerWaalsContact C-CD 3.4Å; V338-P340 VanDerWaalsContact C-N 3.33Å; V338-P340 VanDerWaalsContact O-N 3.16Å; P340-F342 VanDerWaalsContact C-N 3.33Å; P340-F342 PolarHBondContact O-N 3.48Å
341	Y	87	Confident	84.4	Confident	14 Å²	14	32.6 Å²	32.6	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-43.9	175.5	176.1	-89.3	0	0	0	111.1	V338 A339 R344 V347 L444 F453 L455	V338-Y341 HydrophobicContact CG2-CD1 4.44Å; V338-Y341 HydrophobicContact CG2-CG 4.27Å; V338-Y341 WeakPolarHBondContact O-CA 3.49Å; V338-Y341 WeakPolarHBondContact O-CB 3.4Å; V338-Y341 PolarHBondContact O-N 3.24Å; A339-Y341 PolarHBondContact O-N 3.37Å; Y341-R344 PolarHBondContact O-NE 3.41Å; Y341-R344 VanDerWaalsContact O-NE 3.13Å; Y341-V347 HydrophobicContact CD1-CG2 4.12Å; Y341-V347 HydrophobicContact CE1-CG1 4.1Å; Y341-V347 HydrophobicContact CE1-CG2 3.81Å; Y341-V347 VanDerWaalsContact O-CG2 3.24Å; Y341-V347 WeakPolarHBondContact O-CG2 3.43Å; Y341-L444 HydrophobicContact CD2-CD1 4.04Å; Y341-F453 AromaticContact CD2-CD1 3.77Å; Y341-F453 HydrophobicContact CD2-CD1 3.77Å; Y341-F453 AromaticContact CD2-CE1 3.99Å; Y341-F453 HydrophobicContact CD2-CE1 3.99Å; Y341-F453 HydrophobicContact CE2-CD1 4.02Å; Y341-F453 HydrophobicContact CE2-CE1 4.28Å; Y341-L455 HydrophobicContact CE1-CB 4.29Å; Y341-L455 HydrophobicContact CE1-CD1 4.38Å; Y341-L455 PolarHBondContact OH-N 3.45Å; Y341-L455 VanDerWaalsContact OH-N 3.11Å; Y341-L455 PolarHBondContact OH-O 3.38Å
342	F	88	Confident	83.1	Confident	3 Å²	3	34.5 Å²	34.5	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-81.8	-21.1	-176.7	-69.3	-79.9	0	0	0	113.9	V338 A339 P340 R344 V347 K361 L364 L365 F368 L455 I460	V338-F342 HydrophobicContact CB-CE2 4.37Å; V338-F342 HydrophobicContact CG1-CD2 4.14Å; V338-F342 HydrophobicContact CG1-CE2 3.77Å; V338-F342 HydrophobicContact CG2-CD2 4.16Å; V338-F342 HydrophobicContact CG2-CE2 3.73Å; A339-F342 PolarHBondContact O-N 2.97Å; A339-F342 VanDerWaalsContact O-N 3.09Å; P340-F342 VanDerWaalsContact C-N 3.33Å; P340-F342 PolarHBondContact O-N 3.48Å; F342-R344 PolarHBondContact O-N 3.28Å; F342-V347 HydrophobicContact CD1-CG1 3.89Å; F342-V347 HydrophobicContact CE1-CG1 4.38Å; F342-K361 WeakPolarHBondContact O-CE 3.42Å; F342-L364 HydrophobicContact CB-CD2 4.41Å; F342-L364 HydrophobicContact CD1-CD2 3.64Å; F342-L364 HydrophobicContact CE1-CD2 4.03Å; F342-L364 HydrophobicContact CG-CD2 4.07Å; F342-L365 HydrophobicContact CB-CD2 4.46Å; F342-F368 HydrophobicContact CB-CD2 4.28Å; F342-F368 HydrophobicContact CB-CE2 3.68Å; F342-F368 HydrophobicContact CD1-CE2 4.5Å; F342-F368 AromaticContact CD2-CE2 3.38Å; F342-F368 HydrophobicContact CD2-CE2 3.38Å; F342-F368 AromaticContact CD2-CZ 3.44Å; F342-F368 HydrophobicContact CD2-CZ 3.44Å; F342-F368 VanDerWaalsContact CD2-CZ 3.44Å; F342-F368 HydrophobicContact CE2-CE2 4.1Å; F342-F368 AromaticContact CE2-CZ 3.73Å; F342-F368 HydrophobicContact CE2-CZ 3.73Å; F342-F368 AromaticContact CG-CE2 3.62Å; F342-F368 HydrophobicContact CG-CE2 3.62Å; F342-F368 HydrophobicContact CG-CZ 4.12Å; F342-L455 HydrophobicContact CZ-CD1 4.38Å; F342-I460 HydrophobicContact CE1-CD1 4.01Å; F342-I460 HydrophobicContact CE1-CG1 4.06Å; F342-I460 HydrophobicContact CE1-CG2 3.87Å; F342-I460 HydrophobicContact CZ-CD1 4.37Å; F342-I460 HydrophobicContact CZ-CG1 3.95Å; F342-I460 HydrophobicContact CZ-CG2 4Å
343	E	87.9	Confident	82.1	Confident	88 Å²	88	36.9 Å²	36.9	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-66.2	-23.6	173.3	-75	168.7	177.5	0	0	112.3	A339 L365 K372	A339-E343 WeakPolarHBondContact O-CG 3.47Å; A339-E343 PolarHBondContact O-N 3.03Å; A339-E343 VanDerWaalsContact O-N 3.16Å; E343-L365 HydrophobicContact CB-CD2 4.5Å; E343-L365 HydrophobicContact CG-CD2 3.74Å; E343-K372 IonicContact OE1-NZ 2.96Å; E343-K372 PolarHBondContact OE1-NZ 3.06Å; E343-K372 IonicContact OE2-NZ 3.29Å; E343-K372 PolarHBondContact OE2-NZ 3.48Å
344	R	82.8	Confident	81.5	Confident	27 Å²	27	40.1 Å²	40.1	10%	0.102	24%	0.24	C	C	.	.	S	Bend	trans	-64.9	140.2	179.8	-61.2	-178.7	-61.3	167.5	3.7	111.7	Y341 F342 I346 V347 K361	Y341-R344 PolarHBondContact O-NE 3.41Å; Y341-R344 VanDerWaalsContact O-NE 3.13Å; F342-R344 PolarHBondContact O-N 3.28Å; R344-I346 HydrophobicContact CB-CG2 4.08Å; R344-I346 PolarHBondContact O-N 3.19Å; R344-V347 PolarHBondContact O-N 3.36Å; R344-K361 PolarHBondContact O-NZ 2.96Å
345	A	75.4	Confident	81.1	Confident	91 Å²	91	47.3 Å²	47.3	75%	0.752	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.5	178.7	0	0	0	0	0	112.8	V347	A345-V347 VanDerWaalsContact C-N 3.28Å; A345-V347 PolarHBondContact O-N 3.32Å
346	I	69.7	Low	80.4	Confident	101 Å²	101	49.5 Å²	49.5	52%	0.518	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.5	-178.8	-164.1	165.3	0	0	0	113.8	R344 N348 P449	R344-I346 HydrophobicContact CB-CG2 4.08Å; R344-I346 PolarHBondContact O-N 3.19Å; I346-N348 PolarHBondContact O-N 2.98Å; I346-P449 HydrophobicContact CD1-CB 4.21Å
347	V	75.1	Confident	79.8	Confident	17 Å²	17	48.6 Å²	48.6	10%	0.103	28%	0.278	C	S	.	.			trans	-81.6	103.4	178.5	-179.8	0	0	0	0	108.3	Y341 F342 R344 A345 K361	Y341-V347 HydrophobicContact CD1-CG2 4.12Å; Y341-V347 HydrophobicContact CE1-CG1 4.1Å; Y341-V347 HydrophobicContact CE1-CG2 3.81Å; Y341-V347 VanDerWaalsContact O-CG2 3.24Å; Y341-V347 WeakPolarHBondContact O-CG2 3.43Å; F342-V347 HydrophobicContact CD1-CG1 3.89Å; F342-V347 HydrophobicContact CE1-CG1 4.38Å; R344-V347 PolarHBondContact O-N 3.36Å; A345-V347 VanDerWaalsContact C-N 3.28Å; A345-V347 PolarHBondContact O-N 3.32Å; V347-K361 WeakPolarHBondContact O-CE 3.43Å; V347-K361 PolarHBondContact O-NZ 3.49Å
348	N	71.5	Confident	79.7	Confident	90 Å²	90	48.9 Å²	48.9	48%	0.481	29%	0.291	S	S	.	.			trans	-107.2	137.9	177.2	-168.6	13.4	0	0	0	111	I346 Y350	I346-N348 PolarHBondContact O-N 2.98Å; N348-Y350 VanDerWaalsContact C-N 3.25Å; N348-Y350 PolarHBondContact O-N 3.44Å
349	L	79.1	Confident	79.9	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	31%	0.31	C	S	.	.			trans	-91.7	56.2	176.2	-60	-178.3	0	0	0	110.3	Y90 F91 T351 D357 T360 K361 L364	Y90-L349 HydrophobicContact CD1-CD2 4.15Å; Y90-L349 HydrophobicContact CD2-CB 3.64Å; Y90-L349 HydrophobicContact CD2-CD2 4.29Å; Y90-L349 VanDerWaalsContact CD2-O 3.31Å; Y90-L349 WeakPolarHBondContact CD2-O 3.44Å; Y90-L349 HydrophobicContact CE1-CD2 3.76Å; Y90-L349 HydrophobicContact CE2-CB 3.86Å; Y90-L349 HydrophobicContact CE2-CD2 3.88Å; Y90-L349 HydrophobicContact CE2-CG 4.48Å; Y90-L349 HydrophobicContact CG-CB 4.04Å; Y90-L349 HydrophobicContact CG-CD2 4.42Å; F91-L349 HydrophobicContact CE2-CD1 4.28Å; F91-L349 HydrophobicContact CZ-CD1 4.43Å; L349-T351 PolarHBondContact O-N 2.92Å; L349-D357 VanDerWaalsContact O-CG 3.27Å; L349-T360 HydrophobicContact CD1-CG2 3.75Å; L349-K361 HydrophobicContact CD1-CB 4.14Å; L349-L364 HydrophobicContact CD1-CB 4.45Å; L349-L364 HydrophobicContact CD1-CD2 3.87Å; L349-L364 HydrophobicContact CD2-CD2 4.48Å
350	Y	75.3	Confident	79.8	Confident	90 Å²	90	52.9 Å²	52.9	35%	0.353	31%	0.31	S	S	.	.			trans	-65.2	126.9	-167.8	-177.7	-115.9	0	0	0	113.2	N348 D357 R457	N348-Y350 VanDerWaalsContact C-N 3.25Å; N348-Y350 PolarHBondContact O-N 3.44Å; Y350-D357 VanDerWaalsContact CA-OD2 3.28Å; Y350-D357 WeakPolarHBondContact CA-OD2 3.46Å; Y350-D357 WeakPolarHBondContact CD2-OD2 3.35Å; Y350-R457 PolarHBondContact O-NH1 3.29Å; Y350-R457 VanDerWaalsContact O-NH1 3.16Å; Y350-R457 PolarHBondContact O-NH2 3.46Å
351	T	69.4	Low	79.9	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.025	30%	0.301	C	S	.	.	S	Bend	trans	-122.2	-12.4	173.1	64.9	0	0	0	0	112.5	D89 Y90 P127 G129 I130 L349 D357	D89-T351 HydrophobicContact CB-CG2 4.21Å; Y90-T351 HydrophobicContact CD2-CG2 4.17Å; Y90-T351 HydrophobicContact CG-CG2 4.49Å; P127-T351 VanDerWaalsContact CB-O 3.25Å; P127-T351 WeakPolarHBondContact CB-O 3.41Å; G129-T351 VanDerWaalsContact CA-C 3.5Å; G129-T351 VanDerWaalsContact CA-O 3.26Å; G129-T351 WeakPolarHBondContact CA-O 3.29Å; G129-T351 PolarHBondContact N-O 3.05Å; I130-T351 HydrophobicContact CD1-CG2 4.37Å; I130-T351 HydrophobicContact CG1-CG2 4.5Å; L349-T351 PolarHBondContact O-N 2.92Å; T351-D357 VanDerWaalsContact CB-OD1 3.27Å; T351-D357 WeakPolarHBondContact CB-OD1 3.27Å; T351-D357 WeakPolarHBondContact CG2-OD1 3.38Å; T351-D357 VanDerWaalsContact N-CG 3.31Å; T351-D357 PolarHBondContact N-OD1 3.18Å; T351-D357 PolarHBondContact N-OD2 2.78Å; T351-D357 VanDerWaalsContact N-OD2 3.1Å; T351-D357 PolarHBondContact OG1-OD1 3.21Å
352	G	66.1	Low	80.3	Confident	44 Å²	44	57 Å²	57	45%	0.454	32%	0.324	S	S	.	.	S	Bend	trans	109.9	-13.4	-174	0	0	0	0	0	113.2
353	S	72.9	Confident	80.7	Confident	50 Å²	50	57.5 Å²	57.5	35%	0.35	33%	0.327	S	S	.	.			trans	-111.5	107.9	174.2	178	0	0	0	0	110.4	E355 E356 D357	S353-E355 PolarHBondContact O-N 2.96Å; S353-E356 PolarHBondContact O-N 3.29Å; S353-D357 WeakPolarHBondContact O-CB 3.36Å; S353-D357 PolarHBondContact O-N 2.86Å
354	S	75.4	Confident	81.1	Confident	107 Å²	107	53.4 Å²	53.4	75%	0.748	31%	0.307	S	S	*	.	H	α-helix	trans	-63.6	-28.6	-176.3	-172.7	0	0	0	0	113.7	G358	S354-G358 PolarHBondContact O-N 3.05Å
355	E	83.3	Confident	81.7	Confident	152 Å²	152	54.2 Å²	54.2	71%	0.71	31%	0.313	S	S	*	.	H	α-helix	trans	-70.6	-50.5	177.2	-176.2	175.7	-171.7	0	0	110.4	S353 D357 G358 E359	S353-E355 PolarHBondContact O-N 2.96Å; E355-D357 VanDerWaalsContact C-N 3.34Å; E355-D357 PolarHBondContact O-N 3.18Å; E355-G358 PolarHBondContact O-N 2.61Å; E355-E359 PolarHBondContact O-N 3.41Å
356	E	79.6	Confident	82.7	Confident	45 Å²	45	53 Å²	53	21%	0.21	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-37.5	179	-172.3	177.9	178.9	0	0	112.3	D89 S353 G358 E359 T360	D89-E356 WeakPolarHBondContact CB-OE1 3.28Å; D89-E356 PolarHBondContact N-OE1 3.29Å; S353-E356 PolarHBondContact O-N 3.29Å; E356-G358 VanDerWaalsContact C-N 3.31Å; E356-G358 PolarHBondContact O-N 3.2Å; E356-E359 PolarHBondContact O-N 3.46Å; E356-T360 VanDerWaalsContact O-CB 3.22Å; E356-T360 WeakPolarHBondContact O-CB 3.3Å; E356-T360 PolarHBondContact O-N 3.22Å; E356-T360 PolarHBondContact O-OG1 3.43Å
357	D	78.5	Confident	83.9	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-41.7	176.5	-65.2	-14.5	0	0	0	110.9	L349 Y350 T351 S353 E355 K361	L349-D357 VanDerWaalsContact O-CG 3.27Å; Y350-D357 VanDerWaalsContact CA-OD2 3.28Å; Y350-D357 WeakPolarHBondContact CA-OD2 3.46Å; Y350-D357 WeakPolarHBondContact CD2-OD2 3.35Å; T351-D357 VanDerWaalsContact CB-OD1 3.27Å; T351-D357 WeakPolarHBondContact CB-OD1 3.27Å; T351-D357 WeakPolarHBondContact CG2-OD1 3.38Å; T351-D357 VanDerWaalsContact N-CG 3.31Å; T351-D357 PolarHBondContact N-OD1 3.18Å; T351-D357 PolarHBondContact N-OD2 2.78Å; T351-D357 VanDerWaalsContact N-OD2 3.1Å; T351-D357 PolarHBondContact OG1-OD1 3.21Å; S353-D357 WeakPolarHBondContact O-CB 3.36Å; S353-D357 PolarHBondContact O-N 2.86Å; E355-D357 VanDerWaalsContact C-N 3.34Å; E355-D357 PolarHBondContact O-N 3.18Å; D357-K361 WeakPolarHBondContact O-CB 3.32Å; D357-K361 PolarHBondContact O-N 3.39Å
358	G	86.6	Confident	84.9	Confident	41 Å²	41	47.4 Å²	47.4	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-51.2	175.8	0	0	0	0	0	112.3	S354 E355 E356 T360 K361 E362	S354-G358 PolarHBondContact O-N 3.05Å; E355-G358 PolarHBondContact O-N 2.61Å; E356-G358 VanDerWaalsContact C-N 3.31Å; E356-G358 PolarHBondContact O-N 3.2Å; G358-T360 VanDerWaalsContact C-N 3.3Å; G358-T360 PolarHBondContact O-N 2.78Å; G358-K361 PolarHBondContact O-N 3.03Å; G358-E362 PolarHBondContact O-N 3.09Å
359	E	93.3	Very high	86	Confident	85 Å²	85	47.4 Å²	47.4	40%	0.397	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-39.1	177.1	-69.2	-170.5	172	0	0	112.7	R88 E355 E356 E362 L363	R88-E359 IonicContact CZ-OE2 3.31Å; R88-E359 VanDerWaalsContact CZ-OE2 3.28Å; R88-E359 IonicContact NH1-OE2 3.77Å; R88-E359 PolarHBondContact NH1-OE2 2.99Å; R88-E359 IonicContact NH2-OE2 3.72Å; R88-E359 PolarHBondContact NH2-OE2 3.44Å; E355-E359 PolarHBondContact O-N 3.41Å; E356-E359 PolarHBondContact O-N 3.46Å; E359-E362 PolarHBondContact O-N 3.29Å; E359-L363 WeakPolarHBondContact O-CB 3.29Å; E359-L363 PolarHBondContact O-N 3.44Å
360	T	90.3	Very high	86.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-42.2	179.3	-60.4	0	0	0	0	110.3	L85 R88 F91 L349 E356 G358 L363 L364	L85-T360 HydrophobicContact CD1-CG2 4.14Å; R88-T360 HydrophobicContact CB-CG2 4.05Å; R88-T360 HydrophobicContact CG-CG2 4.16Å; F91-T360 HydrophobicContact CD2-CG2 4.04Å; F91-T360 HydrophobicContact CE2-CG2 3.68Å; L349-T360 HydrophobicContact CD1-CG2 3.75Å; E356-T360 VanDerWaalsContact O-CB 3.22Å; E356-T360 WeakPolarHBondContact O-CB 3.3Å; E356-T360 PolarHBondContact O-N 3.22Å; E356-T360 PolarHBondContact O-OG1 3.43Å; G358-T360 VanDerWaalsContact C-N 3.3Å; G358-T360 PolarHBondContact O-N 2.78Å; T360-L363 PolarHBondContact O-N 2.89Å; T360-L364 WeakPolarHBondContact O-CB 3.16Å; T360-L364 PolarHBondContact O-N 2.98Å
361	K	90.9	Very high	87.6	Confident	40 Å²	40	44.9 Å²	44.9	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-42.6	175.3	-174.9	170.3	-178.7	169.7	0	111.3	F342 R344 V347 L349 D357 G358 L364 L365	F342-K361 WeakPolarHBondContact O-CE 3.42Å; R344-K361 PolarHBondContact O-NZ 2.96Å; V347-K361 WeakPolarHBondContact O-CE 3.43Å; V347-K361 PolarHBondContact O-NZ 3.49Å; L349-K361 HydrophobicContact CD1-CB 4.14Å; D357-K361 WeakPolarHBondContact O-CB 3.32Å; D357-K361 PolarHBondContact O-N 3.39Å; G358-K361 PolarHBondContact O-N 3.03Å; K361-L364 PolarHBondContact O-N 2.95Å; K361-L365 HydrophobicContact CG-CD1 4.25Å; K361-L365 VanDerWaalsContact O-CG 3.31Å; K361-L365 WeakPolarHBondContact O-CG 3.22Å; K361-L365 PolarHBondContact O-N 3.25Å
362	E	95.5	Very high	88.5	Confident	116 Å²	116	48.8 Å²	48.8	54%	0.542	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-47.5	176.8	-167.5	-172.4	162.9	0	0	111.6	G358 E359 L364 L365 Q366	G358-E362 PolarHBondContact O-N 3.09Å; E359-E362 PolarHBondContact O-N 3.29Å; E362-L364 VanDerWaalsContact C-N 3.31Å; E362-L364 PolarHBondContact O-N 3.33Å; E362-L365 PolarHBondContact O-N 2.87Å; E362-Q366 WeakPolarHBondContact O-CG 3.46Å; E362-Q366 PolarHBondContact O-N 3.07Å; E362-Q366 PolarHBondContact OE1-NE2 2.87Å; E362-Q366 VanDerWaalsContact OE1-NE2 3.09Å
363	L	96.5	Very high	89.6	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-41.2	177.5	180	59.5	0	0	0	112	R81 K84 L85 E359 T360 Q366 I367	R81-L363 HydrophobicContact CB-CD1 4.34Å; K84-L363 HydrophobicContact CB-CD2 4.14Å; K84-L363 HydrophobicContact CD-CD2 4.15Å; K84-L363 HydrophobicContact CG-CD2 3.92Å; L85-L363 HydrophobicContact CB-CD2 4.05Å; L85-L363 HydrophobicContact CB-CG 4.45Å; L85-L363 HydrophobicContact CD1-CB 4.36Å; L85-L363 HydrophobicContact CD1-CD2 4.07Å; L85-L363 HydrophobicContact CD1-CG 4.11Å; E359-L363 WeakPolarHBondContact O-CB 3.29Å; E359-L363 PolarHBondContact O-N 3.44Å; T360-L363 PolarHBondContact O-N 2.89Å; L363-Q366 PolarHBondContact O-N 2.95Å; L363-I367 HydrophobicContact CG-CD1 4.39Å; L363-I367 WeakPolarHBondContact O-CG1 3.3Å; L363-I367 PolarHBondContact O-N 3.26Å
364	L	95.6	Very high	90.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-46	175.7	-179.8	66.5	0	0	0	111.5	L85 F91 F342 L349 T360 K361 E362 Q366 I367 F368 M464	L85-L364 HydrophobicContact CD1-CB 4.23Å; L85-L364 HydrophobicContact CD2-CD1 3.8Å; F91-L364 HydrophobicContact CZ-CD1 4.44Å; F342-L364 HydrophobicContact CB-CD2 4.41Å; F342-L364 HydrophobicContact CD1-CD2 3.64Å; F342-L364 HydrophobicContact CE1-CD2 4.03Å; F342-L364 HydrophobicContact CG-CD2 4.07Å; L349-L364 HydrophobicContact CD1-CB 4.45Å; L349-L364 HydrophobicContact CD1-CD2 3.87Å; L349-L364 HydrophobicContact CD2-CD2 4.48Å; T360-L364 WeakPolarHBondContact O-CB 3.16Å; T360-L364 PolarHBondContact O-N 2.98Å; K361-L364 PolarHBondContact O-N 2.95Å; E362-L364 VanDerWaalsContact C-N 3.31Å; E362-L364 PolarHBondContact O-N 3.33Å; L364-Q366 PolarHBondContact O-N 2.88Å; L364-I367 WeakPolarHBondContact O-CB 3.48Å; L364-I367 PolarHBondContact O-N 3.22Å; L364-F368 HydrophobicContact CD1-CD2 4.39Å; L364-F368 HydrophobicContact CD1-CE2 3.7Å; L364-F368 HydrophobicContact CD1-CZ 3.9Å; L364-F368 HydrophobicContact CD2-CE2 3.93Å; L364-F368 HydrophobicContact CG-CD2 4.04Å; L364-F368 HydrophobicContact CG-CE2 3.51Å; L364-F368 HydrophobicContact CG-CZ 4.22Å; L364-F368 WeakPolarHBondContact O-CD2 3.38Å; L364-F368 PolarHBondContact O-N 3.1Å; L364-M464 HydrophobicContact CD1-CE 3.69Å; L364-M464 HydrophobicContact CD1-CG 4.33Å; L364-M464 HydrophobicContact CD1-SD 3.95Å
365	L	95.4	Very high	90.2	Very high	44 Å²	44	48.1 Å²	48.1	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-37.8	177.7	-68.1	174.9	0	0	0	112.2	F342 E343 K361 E362 I367 F368 N369	F342-L365 HydrophobicContact CB-CD2 4.46Å; E343-L365 HydrophobicContact CB-CD2 4.5Å; E343-L365 HydrophobicContact CG-CD2 3.74Å; K361-L365 HydrophobicContact CG-CD1 4.25Å; K361-L365 VanDerWaalsContact O-CG 3.31Å; K361-L365 WeakPolarHBondContact O-CG 3.22Å; K361-L365 PolarHBondContact O-N 3.25Å; E362-L365 PolarHBondContact O-N 2.87Å; L365-I367 VanDerWaalsContact C-N 3.33Å; L365-I367 PolarHBondContact O-N 2.8Å; L365-F368 HydrophobicContact CD2-CD2 4.44Å; L365-F368 PolarHBondContact O-N 2.82Å; L365-N369 PolarHBondContact O-N 2.91Å; L365-N369 PolarHBondContact O-ND2 2.96Å
366	Q	96	Very high	89.5	Confident	66 Å²	66	42.1 Å²	42.1	31%	0.308	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-42	173.4	-70.4	176.9	16.5	0	0	111.6	E362 L363 L364 N369 E370	E362-Q366 WeakPolarHBondContact O-CG 3.46Å; E362-Q366 PolarHBondContact O-N 3.07Å; E362-Q366 PolarHBondContact OE1-NE2 2.87Å; E362-Q366 VanDerWaalsContact OE1-NE2 3.09Å; L363-Q366 PolarHBondContact O-N 2.95Å; L364-Q366 PolarHBondContact O-N 2.88Å; Q366-N369 PolarHBondContact O-N 3.47Å; Q366-E370 WeakPolarHBondContact O-CG 3.4Å; Q366-E370 PolarHBondContact O-N 3.45Å; Q366-E370 VanDerWaalsContact O-N 3.17Å
367	I	96.6	Very high	88.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-46.3	174.1	-69.6	161.6	0	0	0	110.3	R81 L85 L363 L364 L365 N369 E370 I371	R81-I367 HydrophobicContact CB-CD1 4.01Å; R81-I367 HydrophobicContact CB-CG1 3.6Å; L85-I367 HydrophobicContact CB-CD1 3.93Å; L85-I367 HydrophobicContact CD2-CD1 3.78Å; L85-I367 HydrophobicContact CG-CD1 4.31Å; L363-I367 HydrophobicContact CG-CD1 4.39Å; L363-I367 WeakPolarHBondContact O-CG1 3.3Å; L363-I367 PolarHBondContact O-N 3.26Å; L364-I367 WeakPolarHBondContact O-CB 3.48Å; L364-I367 PolarHBondContact O-N 3.22Å; L365-I367 VanDerWaalsContact C-N 3.33Å; L365-I367 PolarHBondContact O-N 2.8Å; I367-N369 VanDerWaalsContact C-N 3.31Å; I367-N369 PolarHBondContact O-N 3.19Å; I367-E370 PolarHBondContact O-N 3.42Å; I367-I371 HydrophobicContact CG2-CD1 3.75Å; I367-I371 HydrophobicContact CG2-CG1 4.32Å; I367-I371 VanDerWaalsContact O-CG1 3.31Å; I367-I371 WeakPolarHBondContact O-CG1 3.47Å; I367-I371 PolarHBondContact O-N 3.16Å
368	F	95.3	Very high	87.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-36.6	178	-72.5	-47.1	0	0	0	113.4	L335 V338 A339 F342 L364 L365 I371 K372	L335-F368 HydrophobicContact CB-CD1 4.46Å; L335-F368 HydrophobicContact CB-CE1 4.03Å; L335-F368 HydrophobicContact CD2-CE1 3.91Å; L335-F368 HydrophobicContact CD2-CZ 4.48Å; L335-F368 WeakPolarHBondContact O-CD1 3.39Å; L335-F368 WeakPolarHBondContact O-CE1 3.32Å; V338-F368 HydrophobicContact CG1-CE1 4.19Å; V338-F368 HydrophobicContact CG1-CZ 4.24Å; A339-F368 HydrophobicContact CB-CB 3.78Å; A339-F368 HydrophobicContact CB-CD1 3.91Å; A339-F368 HydrophobicContact CB-CD2 4.25Å; A339-F368 HydrophobicContact CB-CG 3.74Å; F342-F368 HydrophobicContact CB-CD2 4.28Å; F342-F368 HydrophobicContact CB-CE2 3.68Å; F342-F368 HydrophobicContact CD1-CE2 4.5Å; F342-F368 AromaticContact CD2-CE2 3.38Å; F342-F368 HydrophobicContact CD2-CE2 3.38Å; F342-F368 AromaticContact CD2-CZ 3.44Å; F342-F368 HydrophobicContact CD2-CZ 3.44Å; F342-F368 VanDerWaalsContact CD2-CZ 3.44Å; F342-F368 HydrophobicContact CE2-CE2 4.1Å; F342-F368 AromaticContact CE2-CZ 3.73Å; F342-F368 HydrophobicContact CE2-CZ 3.73Å; F342-F368 AromaticContact CG-CE2 3.62Å; F342-F368 HydrophobicContact CG-CE2 3.62Å; F342-F368 HydrophobicContact CG-CZ 4.12Å; L364-F368 HydrophobicContact CD1-CD2 4.39Å; L364-F368 HydrophobicContact CD1-CE2 3.7Å; L364-F368 HydrophobicContact CD1-CZ 3.9Å; L364-F368 HydrophobicContact CD2-CE2 3.93Å; L364-F368 HydrophobicContact CG-CD2 4.04Å; L364-F368 HydrophobicContact CG-CE2 3.51Å; L364-F368 HydrophobicContact CG-CZ 4.22Å; L364-F368 WeakPolarHBondContact O-CD2 3.38Å; L364-F368 PolarHBondContact O-N 3.1Å; L365-F368 HydrophobicContact CD2-CD2 4.44Å; L365-F368 PolarHBondContact O-N 2.82Å; F368-I371 HydrophobicContact CD1-CD1 4.38Å; F368-I371 PolarHBondContact O-N 3.05Å; F368-K372 WeakPolarHBondContact O-CG 3.31Å; F368-K372 PolarHBondContact O-N 3.17Å
369	N	94.7	Very high	86.2	Confident	90 Å²	90	48.9 Å²	48.9	48%	0.481	25%	0.25	S	C	.	.	H	α-helix	trans	-63	-43	175.3	-72.9	-25.1	0	0	0	112	L365 Q366 I367 K372 S373	L365-N369 PolarHBondContact O-N 2.91Å; L365-N369 PolarHBondContact O-ND2 2.96Å; Q366-N369 PolarHBondContact O-N 3.47Å; I367-N369 VanDerWaalsContact C-N 3.31Å; I367-N369 PolarHBondContact O-N 3.19Å; N369-K372 PolarHBondContact O-N 3.41Å; N369-S373 PolarHBondContact O-N 3.24Å; N369-S373 VanDerWaalsContact O-N 3.15Å
370	E	94.9	Very high	84.4	Confident	38 Å²	38	47.5 Å²	47.5	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-43.7	174.2	-59.7	-79.6	-172.9	0	0	110.5	F73 I78 R81 Q366 I367 K372 S373 F374	F73-E370 WeakPolarHBondContact CE2-O 3.48Å; F73-E370 WeakPolarHBondContact CZ-O 3.11Å; I78-E370 HydrophobicContact CD1-CB 3.89Å; R81-E370 IonicContact CZ-OE1 3.64Å; R81-E370 IonicContact NE-OE1 3.46Å; R81-E370 PolarHBondContact NE-OE1 3.48Å; R81-E370 IonicContact NH2-OE1 2.86Å; R81-E370 PolarHBondContact NH2-OE1 2.56Å; Q366-E370 WeakPolarHBondContact O-CG 3.4Å; Q366-E370 PolarHBondContact O-N 3.45Å; Q366-E370 VanDerWaalsContact O-N 3.17Å; I367-E370 PolarHBondContact O-N 3.42Å; E370-K372 PolarHBondContact O-N 2.99Å; E370-S373 WeakPolarHBondContact O-CB 3.45Å; E370-S373 PolarHBondContact O-N 3.29Å; E370-S373 VanDerWaalsContact O-N 3.11Å; E370-S373 PolarHBondContact O-OG 3.46Å; E370-F374 PolarHBondContact O-N 2.64Å
371	I	92.5	Very high	82.7	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-42.8	177.1	-66.7	175.1	0	0	0	111.8	I78 L332 L335 I367 F368 S373 F374 F467	I78-I371 HydrophobicContact CD1-CG1 3.78Å; L332-I371 HydrophobicContact CD1-CB 4.24Å; L332-I371 HydrophobicContact CD1-CD1 4.08Å; L332-I371 HydrophobicContact CD1-CG1 3.71Å; L332-I371 HydrophobicContact CD1-CG2 3.76Å; L332-I371 HydrophobicContact CG-CG2 4.11Å; L335-I371 HydrophobicContact CB-CD1 3.77Å; L335-I371 HydrophobicContact CB-CG2 4.44Å; L335-I371 HydrophobicContact CD1-CD1 3.85Å; L335-I371 HydrophobicContact CG-CD1 4.46Å; I367-I371 HydrophobicContact CG2-CD1 3.75Å; I367-I371 HydrophobicContact CG2-CG1 4.32Å; I367-I371 VanDerWaalsContact O-CG1 3.31Å; I367-I371 WeakPolarHBondContact O-CG1 3.47Å; I367-I371 PolarHBondContact O-N 3.16Å; F368-I371 HydrophobicContact CD1-CD1 4.38Å; F368-I371 PolarHBondContact O-N 3.05Å; I371-S373 PolarHBondContact O-N 2.92Å; I371-F374 WeakPolarHBondContact O-CB 3.49Å; I371-F374 PolarHBondContact O-N 3.46Å; I371-F467 HydrophobicContact CD1-CE1 4.4Å
372	K	89.1	Confident	80.9	Confident	86 Å²	86	57 Å²	57	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-64	-28.5	176.2	-74.9	177.6	-179.3	-178.2	0	112.7	E343 F368 N369 E370 F374	E343-K372 IonicContact OE1-NZ 2.96Å; E343-K372 PolarHBondContact OE1-NZ 3.06Å; E343-K372 IonicContact OE2-NZ 3.29Å; E343-K372 PolarHBondContact OE2-NZ 3.48Å; F368-K372 WeakPolarHBondContact O-CG 3.31Å; F368-K372 PolarHBondContact O-N 3.17Å; N369-K372 PolarHBondContact O-N 3.41Å; E370-K372 PolarHBondContact O-N 2.99Å; K372-F374 VanDerWaalsContact C-N 3.29Å
373	S	88.4	Confident	78.9	Confident	78 Å²	78	52.5 Å²	52.5	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-75	-18.3	178.7	80.1	0	0	0	0	113.6	N369 E370 I371 P375	N369-S373 PolarHBondContact O-N 3.24Å; N369-S373 VanDerWaalsContact O-N 3.15Å; E370-S373 WeakPolarHBondContact O-CB 3.45Å; E370-S373 PolarHBondContact O-N 3.29Å; E370-S373 VanDerWaalsContact O-N 3.11Å; E370-S373 PolarHBondContact O-OG 3.46Å; I371-S373 PolarHBondContact O-N 2.92Å; S373-P375 WeakPolarHBondContact O-CD 3.23Å
374	F	85.3	Confident	77	Confident	19 Å²	19	53.3 Å²	53.3	8%	0.083	28%	0.276	C	S	.	.	S	Bend	trans	-71.2	120.3	-179.9	-173.3	-106.4	0	0	0	110.3	I70 F73 L329 L332 E370 I371 K372 M376	I70-F374 HydrophobicContact CG1-CZ 4.13Å; F73-F374 HydrophobicContact CB-CD2 3.95Å; F73-F374 HydrophobicContact CB-CE2 3.94Å; F73-F374 HydrophobicContact CD1-CB 4.49Å; F73-F374 AromaticContact CD1-CD2 3.62Å; F73-F374 HydrophobicContact CD1-CD2 3.62Å; F73-F374 HydrophobicContact CD1-CE2 4.05Å; F73-F374 HydrophobicContact CD1-CG 4.1Å; F73-F374 HydrophobicContact CD2-CB 4.42Å; F73-F374 AromaticContact CD2-CD2 3.79Å; F73-F374 HydrophobicContact CD2-CD2 3.79Å; F73-F374 HydrophobicContact CD2-CG 4.5Å; F73-F374 HydrophobicContact CE1-CB 4.03Å; F73-F374 HydrophobicContact CE1-CD2 4.02Å; F73-F374 HydrophobicContact CE1-CG 4.06Å; F73-F374 HydrophobicContact CE2-CB 3.97Å; F73-F374 HydrophobicContact CE2-CD2 4.19Å; F73-F374 HydrophobicContact CE2-CG 4.46Å; F73-F374 AromaticContact CG-CD2 3.49Å; F73-F374 HydrophobicContact CG-CD2 3.49Å; F73-F374 VanDerWaalsContact CG-CD2 3.49Å; F73-F374 AromaticContact CG-CE2 3.95Å; F73-F374 HydrophobicContact CG-CE2 3.95Å; F73-F374 HydrophobicContact CG-CG 4.32Å; F73-F374 HydrophobicContact CZ-CB 3.75Å; F73-F374 HydrophobicContact CZ-CD2 4.29Å; F73-F374 HydrophobicContact CZ-CG 4.25Å; L329-F374 HydrophobicContact CD2-CE1 4Å; L332-F374 HydrophobicContact CD2-CD1 3.64Å; L332-F374 HydrophobicContact CD2-CE1 4Å; L332-F374 HydrophobicContact CD2-CG 4.26Å; E370-F374 PolarHBondContact O-N 2.64Å; I371-F374 WeakPolarHBondContact O-CB 3.49Å; I371-F374 PolarHBondContact O-N 3.46Å; K372-F374 VanDerWaalsContact C-N 3.29Å; F374-M376 VanDerWaalsContact C-N 3.28Å; F374-M376 HydrophobicContact CD1-CB 4.01Å; F374-M376 HydrophobicContact CE1-CB 4.32Å; F374-M376 PolarHBondContact O-N 2.65Å
375	P	75.4	Confident	74.6	Confident	91 Å²	91	56.1 Å²	56.1	59%	0.591	30%	0.299	S	S	*	.			trans	-74.8	81.4	-177.1	31.4	-34.8	0	0	0	110.2	S373	S373-P375 WeakPolarHBondContact O-CD 3.23Å
376	M	68.4	Low	72.3	Confident	25 Å²	25	55.6 Å²	55.6	12%	0.123	31%	0.305	C	S	.	.			trans	-89	112.6	-179.3	-170.3	165.3	29.7	0	0	110.8	L329 R333 F374 F378	L329-M376 HydrophobicContact CD2-SD 4.46Å; R333-M376 HydrophobicContact CB-CE 3.77Å; R333-M376 HydrophobicContact CB-SD 3.99Å; R333-M376 HydrophobicContact CG-CE 4.17Å; F374-M376 VanDerWaalsContact C-N 3.28Å; F374-M376 HydrophobicContact CD1-CB 4.01Å; F374-M376 HydrophobicContact CE1-CB 4.32Å; F374-M376 PolarHBondContact O-N 2.65Å; M376-F378 HydrophobicContact CG-CB 4.25Å; M376-F378 PolarHBondContact O-N 2.88Å
377	H	61.6	Low	70.4	Confident	123 Å²	123	59.6 Å²	59.6	57%	0.569	32%	0.323	S	S	*	.			trans	-91	84.6	170	-62	-65	0	0	0	109.1	F64	F64-H377 HydrophobicContact CB-CB 4.11Å
378	F	61.3	Low	68.7	Low	22 Å²	22	68.3 Å²	68.3	10%	0.096	36%	0.361	C	S	.	.			trans	-104.7	123.2	173.4	-159.8	-94.6	0	0	0	108.8	I330 M376 E380 M383 F384	I330-F378 HydrophobicContact CD1-CE2 3.77Å; I330-F378 HydrophobicContact CD1-CZ 3.61Å; M376-F378 HydrophobicContact CG-CB 4.25Å; M376-F378 PolarHBondContact O-N 2.88Å; F378-E380 HydrophobicContact CD1-CG 4.02Å; F378-E380 PolarHBondContact O-N 2.93Å; F378-E380 VanDerWaalsContact O-OE2 3.09Å; F378-M383 HydrophobicContact CE1-CB 4.17Å; F378-M383 HydrophobicContact CE1-SD 3.96Å; F378-M383 HydrophobicContact CZ-CB 4.39Å; F378-M383 HydrophobicContact CZ-CE 3.93Å; F378-M383 HydrophobicContact CZ-SD 3.48Å; F378-M383 WeakPolarHBondContact CZ-SD 3.38Å; F378-F384 HydrophobicContact CE1-CD2 4.35Å; F378-F384 HydrophobicContact CE1-CE2 4.07Å; F378-F384 HydrophobicContact CZ-CE2 4.47Å
379	D	52.7	Low	67.2	Low	88 Å²	88	74.7 Å²	74.7	47%	0.471	39%	0.394	S	S	.	.			trans	-84.5	87.5	172.5	-176.6	3.2	0	0	0	109.2	K381 S382	D379-K381 PolarHBondContact O-N 3.05Å; D379-K381 VanDerWaalsContact O-N 3.13Å; D379-K381 WeakPolarHBondContact OD1-CB 3.5Å; D379-K381 PolarHBondContact OD1-N 3.37Å; D379-S382 PolarHBondContact O-N 3.25Å; D379-S382 VanDerWaalsContact O-N 3.17Å; D379-S382 PolarHBondContact O-OG 3.3Å; D379-S382 PolarHBondContact OD1-N 2.62Å
380	E	56.5	Low	65.7	Low	56 Å²	56	75.8 Å²	75.8	26%	0.262	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-25.2	177.9	-63.9	83.1	-172.3	0	0	112.3	R333 F378 S382 M383 F384 A385	R333-E380 IonicContact CZ-OE1 3.48Å; R333-E380 IonicContact NE-OE1 3.55Å; R333-E380 PolarHBondContact NE-OE1 3.14Å; R333-E380 IonicContact NH2-OE1 3.22Å; R333-E380 PolarHBondContact NH2-OE1 3.38Å; F378-E380 HydrophobicContact CD1-CG 4.02Å; F378-E380 PolarHBondContact O-N 2.93Å; F378-E380 VanDerWaalsContact O-OE2 3.09Å; E380-S382 VanDerWaalsContact C-N 3.3Å; E380-M383 PolarHBondContact O-N 3.14Å; E380-F384 PolarHBondContact O-N 3.08Å; E380-A385 PolarHBondContact O-N 3.04Å; E380-A385 VanDerWaalsContact O-N 3.14Å
381	K	54.8	Low	64.3	Low	166 Å²	166	75.1 Å²	75.1	72%	0.722	40%	0.397	S	S	*	.	H	α-helix	trans	-71.4	-32.2	-178	-65.4	-177.8	-177.6	174.8	0	112.3	D379 A385	D379-K381 PolarHBondContact O-N 3.05Å; D379-K381 VanDerWaalsContact O-N 3.13Å; D379-K381 WeakPolarHBondContact OD1-CB 3.5Å; D379-K381 PolarHBondContact OD1-N 3.37Å; K381-A385 VanDerWaalsContact CA-CB 3.41Å; K381-A385 HydrophobicContact CB-CB 3.89Å; K381-A385 HydrophobicContact CG-CB 3.94Å
382	S	52.3	Low	63.2	Low	73 Å²	73	82.6 Å²	82.6	51%	0.51	43%	0.43	S	S	.	.	H	α-helix	trans	-66.4	-37.7	173.9	74.1	0	0	0	0	112.2	L262 D379 E380	L262-S382 WeakPolarHBondContact CD2-O 3.41Å; D379-S382 PolarHBondContact O-N 3.25Å; D379-S382 VanDerWaalsContact O-N 3.17Å; D379-S382 PolarHBondContact O-OG 3.3Å; D379-S382 PolarHBondContact OD1-N 2.62Å; E380-S382 VanDerWaalsContact C-N 3.3Å
383	M	53	Low	62.4	Low	22 Å²	22	82.1 Å²	82.1	11%	0.108	43%	0.434	C	S	.	.	H	α-helix	trans	-103	-33.8	-168.7	-158.7	-165.1	-119	0	0	115.4	L262 V266 F326 I330 F378 E380	L262-M383 HydrophobicContact CD2-CB 4.45Å; L262-M383 HydrophobicContact CD2-CG 4.39Å; V266-M383 HydrophobicContact CB-CE 4.12Å; V266-M383 HydrophobicContact CG1-CE 3.74Å; V266-M383 HydrophobicContact CG1-SD 4.32Å; V266-M383 HydrophobicContact CG2-CE 3.24Å; V266-M383 HydrophobicContact CG2-CG 3.94Å; V266-M383 HydrophobicContact CG2-SD 4.14Å; F326-M383 HydrophobicContact CE1-CE 4.42Å; F326-M383 HydrophobicContact CE2-CE 3.74Å; F326-M383 HydrophobicContact CZ-CE 3.32Å; I330-M383 HydrophobicContact CD1-CE 3.85Å; I330-M383 HydrophobicContact CD1-SD 3.92Å; F378-M383 HydrophobicContact CE1-CB 4.17Å; F378-M383 HydrophobicContact CE1-SD 3.96Å; F378-M383 HydrophobicContact CZ-CB 4.39Å; F378-M383 HydrophobicContact CZ-CE 3.93Å; F378-M383 HydrophobicContact CZ-SD 3.48Å; F378-M383 WeakPolarHBondContact CZ-SD 3.38Å; E380-M383 PolarHBondContact O-N 3.14Å
384	F	56.6	Low	61.5	Low	30 Å²	30	79 Å²	79	13%	0.132	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132	-5.3	-172.3	-57.1	-65.9	0	0	0	114.2	F378 E380 G386 L435 F436	F378-F384 HydrophobicContact CE1-CD2 4.35Å; F378-F384 HydrophobicContact CE1-CE2 4.07Å; F378-F384 HydrophobicContact CZ-CE2 4.47Å; E380-F384 PolarHBondContact O-N 3.08Å; F384-G386 VanDerWaalsContact C-N 3.33Å; F384-G386 PolarHBondContact O-N 3.25Å; F384-L435 HydrophobicContact CE2-CD1 4.25Å; F384-L435 HydrophobicContact CZ-CD1 4.18Å; F384-F436 HydrophobicContact CD1-CD1 4.26Å; F384-F436 AromaticContact CD1-CE1 3.51Å; F384-F436 HydrophobicContact CD1-CE1 3.51Å; F384-F436 AromaticContact CD1-CZ 3.69Å; F384-F436 HydrophobicContact CD1-CZ 3.69Å; F384-F436 HydrophobicContact CE1-CE1 4.03Å; F384-F436 HydrophobicContact CE1-CE2 4.3Å; F384-F436 AromaticContact CE1-CZ 3.71Å; F384-F436 HydrophobicContact CE1-CZ 3.71Å; F384-F436 HydrophobicContact CG-CE1 4.48Å
385	A	45.3	Very low	61	Low	60 Å²	60	79.1 Å²	79.1	50%	0.496	41%	0.412	S	S	.	.			trans	-89.6	67.1	173.5	0	0	0	0	0	112.6	E380 K381	E380-A385 PolarHBondContact O-N 3.04Å; E380-A385 VanDerWaalsContact O-N 3.14Å; K381-A385 VanDerWaalsContact CA-CB 3.41Å; K381-A385 HydrophobicContact CB-CB 3.89Å; K381-A385 HydrophobicContact CG-CB 3.94Å
386	G	48.8	Very low	61.1	Low	34 Å²	34	78.8 Å²	78.8	35%	0.351	40%	0.402	S	S	.	.			trans	-73.3	165.8	153.3	0	0	0	0	0	110.9	F384	F384-G386 VanDerWaalsContact C-N 3.33Å; F384-G386 PolarHBondContact O-N 3.25Å
387	H	54.2	Low	61.5	Low	150 Å²	150	80.6 Å²	80.6	69%	0.694	41%	0.41	S	S	*	.			trans	-51.5	152.9	163	-73.3	-80.1	0	0	0	109.7	I389 E390 A391	H387-I389 CarbonylContact O-C 3.56Å; H387-I389 PolarHBondContact O-N 3.34Å; H387-E390 IonicContact CD2-OE2 2.69Å; H387-E390 PolarHBondContact N-OE2 3.35Å; H387-E390 PolarHBondContact O-N 3.07Å; H387-A391 PolarHBondContact O-N 3.42Å; H387-A391 VanDerWaalsContact O-N 3.1Å
388	K	61	Low	62.4	Low	182 Å²	182	74.8 Å²	74.8	79%	0.791	38%	0.384	S	S	*	.	H	α-helix	trans	-46.2	-29.9	-174.9	-74.8	-174.5	179.2	-179.3	0	114.4	K392	K388-K392 WeakPolarHBondContact O-CB 3.49Å
389	I	63.8	Low	63.3	Low	135 Å²	135	76.2 Å²	76.2	69%	0.692	39%	0.388	S	S	*	.	H	α-helix	trans	-78.7	-47.1	179	-61.6	171.8	0	0	0	111.4	H387 K392 T393	H387-I389 CarbonylContact O-C 3.56Å; H387-I389 PolarHBondContact O-N 3.34Å; I389-K392 PolarHBondContact O-N 3.2Å; I389-T393 PolarHBondContact O-N 3.36Å; I389-T393 PolarHBondContact O-OG1 2.8Å; I389-T393 VanDerWaalsContact O-OG1 3.07Å
390	E	64.4	Low	64.7	Low	113 Å²	113	76.1 Å²	76.1	53%	0.528	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-45.6	179.8	-68.2	164.9	171	0	0	111.6	H387 K392 T393 L394	H387-E390 IonicContact CD2-OE2 2.69Å; H387-E390 PolarHBondContact N-OE2 3.35Å; H387-E390 PolarHBondContact O-N 3.07Å; E390-K392 VanDerWaalsContact C-N 3.26Å; E390-K392 PolarHBondContact O-N 3.38Å; E390-T393 PolarHBondContact O-N 2.93Å; E390-L394 WeakPolarHBondContact O-CB 3.2Å; E390-L394 PolarHBondContact O-N 2.93Å
391	A	64.6	Low	66	Low	24 Å²	24	74.3 Å²	74.3	20%	0.198	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-34.6	176.6	0	0	0	0	0	112.3	H387 K395	H387-A391 PolarHBondContact O-N 3.42Å; H387-A391 VanDerWaalsContact O-N 3.1Å; A391-K395 WeakPolarHBondContact O-CB 3.49Å; A391-K395 PolarHBondContact O-N 2.76Å
392	K	69.3	Low	67.4	Low	158 Å²	158	66.4 Å²	66.4	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-71.8	-42	176.8	-170.5	177.6	-178.3	179.5	0	111.8	K388 I389 E390 L394 K395 E396	K388-K392 WeakPolarHBondContact O-CB 3.49Å; I389-K392 PolarHBondContact O-N 3.2Å; E390-K392 VanDerWaalsContact C-N 3.26Å; E390-K392 PolarHBondContact O-N 3.38Å; K392-L394 VanDerWaalsContact C-N 3.33Å; K392-K395 PolarHBondContact O-N 3.24Å; K392-E396 PolarHBondContact O-N 3.29Å; K392-E396 VanDerWaalsContact O-N 3.15Å
393	T	72.1	Confident	69	Low	75 Å²	75	66.6 Å²	66.6	46%	0.46	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-44.5	174.1	-55.9	0	0	0	0	110.6	I389 E390 E396 E397	I389-T393 PolarHBondContact O-N 3.36Å; I389-T393 PolarHBondContact O-OG1 2.8Å; I389-T393 VanDerWaalsContact O-OG1 3.07Å; E390-T393 PolarHBondContact O-N 2.93Å; T393-E396 PolarHBondContact O-N 2.86Å; T393-E396 VanDerWaalsContact O-N 3.17Å; T393-E397 WeakPolarHBondContact O-CG 3.44Å; T393-E397 PolarHBondContact O-N 3.24Å
394	L	71.1	Confident	70.6	Confident	14 Å²	14	67.2 Å²	67.2	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-63.9	-43.7	179.3	-176.6	53.4	0	0	0	112.5	F229 E263 E390 K392 E396 E397 F398 F436	F229-L394 HydrophobicContact CD1-CD1 4.43Å; F229-L394 HydrophobicContact CE1-CD1 3.93Å; E263-L394 HydrophobicContact CB-CD1 3.79Å; E263-L394 HydrophobicContact CG-CD1 3.31Å; E263-L394 HydrophobicContact CG-CD2 3.57Å; E263-L394 HydrophobicContact CG-CG 4.04Å; E390-L394 WeakPolarHBondContact O-CB 3.2Å; E390-L394 PolarHBondContact O-N 2.93Å; K392-L394 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 2.71Å; L394-E397 PolarHBondContact O-N 2.76Å; L394-F398 HydrophobicContact CD1-CD2 3.51Å; L394-F398 HydrophobicContact CD1-CE2 3.43Å; L394-F398 VanDerWaalsContact CD1-CE2 3.43Å; L394-F398 HydrophobicContact CD2-CE2 4.28Å; L394-F398 HydrophobicContact CG-CD2 3.79Å; L394-F398 HydrophobicContact CG-CE2 3.83Å; L394-F398 WeakPolarHBondContact O-CD2 3.35Å; L394-F398 PolarHBondContact O-N 2.94Å; L394-F436 HydrophobicContact CD2-CE1 4.43Å; L394-F436 HydrophobicContact CD2-CZ 4.42Å; L394-F436 HydrophobicContact CG-CE1 4.35Å; L394-F436 HydrophobicContact CG-CZ 4.15Å
395	K	74.2	Confident	72.2	Confident	21 Å²	21	65.8 Å²	65.8	9%	0.091	33%	0.334	C	S	.	.	H	α-helix	trans	-51.6	-48.4	172.3	-174.8	-169.7	-177.7	-174.1	0	110.3	D183 F185 A391 K392 R399 F436	D183-K395 IonicContact OD1-NZ 3.78Å; D183-K395 IonicContact OD2-NZ 3.48Å; D183-K395 PolarHBondContact OD2-NZ 3.13Å; F185-K395 HydrophobicContact CE2-CG 4.36Å; F185-K395 HydrophobicContact CZ-CG 3.69Å; A391-K395 WeakPolarHBondContact O-CB 3.49Å; A391-K395 PolarHBondContact O-N 2.76Å; K392-K395 PolarHBondContact O-N 3.24Å; K395-R399 VanDerWaalsContact O-CB 3.29Å; K395-R399 WeakPolarHBondContact O-CB 3.36Å; K395-R399 PolarHBondContact O-N 3.2Å; K395-F436 HydrophobicContact CB-CB 4.29Å; K395-F436 HydrophobicContact CB-CD1 4.04Å; K395-F436 HydrophobicContact CB-CD2 4.21Å; K395-F436 HydrophobicContact CB-CE1 4.42Å; K395-F436 HydrophobicContact CB-CG 3.93Å; K395-F436 HydrophobicContact CD-CB 3.93Å; K395-F436 HydrophobicContact CD-CG 4.5Å; K395-F436 HydrophobicContact CG-CB 3.76Å; K395-F436 HydrophobicContact CG-CD1 4.41Å; K395-F436 HydrophobicContact CG-CD2 3.98Å; K395-F436 HydrophobicContact CG-CG 3.81Å
396	E	77.5	Confident	74.1	Confident	84 Å²	84	63.3 Å²	63.3	39%	0.393	31%	0.313	S	S	.	.	H	α-helix	trans	-68.8	-37.5	-178.3	-173.2	58.9	-160.1	0	0	113	K392 T393 L394 R399 L400	K392-E396 PolarHBondContact O-N 3.29Å; K392-E396 VanDerWaalsContact O-N 3.15Å; T393-E396 PolarHBondContact O-N 2.86Å; T393-E396 VanDerWaalsContact O-N 3.17Å; L394-E396 PolarHBondContact O-N 2.71Å; E396-R399 VanDerWaalsContact CD-NE 3.28Å; E396-R399 WeakPolarHBondContact O-CB 3.41Å; E396-R399 PolarHBondContact O-N 3.07Å; E396-R399 IonicContact OE1-CZ 3.47Å; E396-R399 VanDerWaalsContact OE1-CZ 3.31Å; E396-R399 IonicContact OE1-NE 2.81Å; E396-R399 PolarHBondContact OE1-NE 2.96Å; E396-R399 VanDerWaalsContact OE1-NE 3.12Å; E396-R399 IonicContact OE1-NH2 2.82Å; E396-R399 PolarHBondContact OE1-NH2 3.45Å; E396-R399 IonicContact OE2-CZ 3.82Å; E396-R399 IonicContact OE2-NE 3.12Å; E396-R399 PolarHBondContact OE2-NE 3.4Å; E396-R399 IonicContact OE2-NH2 2.57Å; E396-L400 PolarHBondContact O-N 3.02Å
397	E	77.6	Confident	76	Confident	62 Å²	62	66.1 Å²	66.1	29%	0.29	31%	0.313	S	S	.	.	H	α-helix	trans	-65.1	-48.2	175.4	-72.5	-178.8	144.8	0	0	111.4	F229 T393 L394 R399 L400 H401	F229-E397 HydrophobicContact CD1-CB 3.84Å; F229-E397 HydrophobicContact CD1-CG 4.43Å; F229-E397 WeakPolarHBondContact CD1-OE2 3.44Å; F229-E397 HydrophobicContact CE1-CB 3.73Å; T393-E397 WeakPolarHBondContact O-CG 3.44Å; T393-E397 PolarHBondContact O-N 3.24Å; L394-E397 PolarHBondContact O-N 2.76Å; E397-R399 VanDerWaalsContact C-N 3.31Å; E397-R399 PolarHBondContact O-N 3.23Å; E397-L400 PolarHBondContact O-N 3.19Å; E397-H401 PolarHBondContact O-CD2 3.44Å; E397-H401 PolarHBondContact O-N 3.31Å
398	F	78.9	Confident	77.8	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-45.1	172.9	-88.2	-76.3	0	0	0	111.4	F185 F229 V266 F267 L270 L394 L400 H401 F402 L432 F436	F185-F398 HydrophobicContact CE1-CB 4.38Å; F229-F398 HydrophobicContact CE1-CD2 4.29Å; F229-F398 HydrophobicContact CE1-CE2 4.29Å; F229-F398 HydrophobicContact CZ-CD1 4.36Å; F229-F398 HydrophobicContact CZ-CD2 4.36Å; F229-F398 HydrophobicContact CZ-CE1 4.14Å; F229-F398 HydrophobicContact CZ-CE2 4.14Å; F229-F398 HydrophobicContact CZ-CG 4.47Å; F229-F398 HydrophobicContact CZ-CZ 4.01Å; V266-F398 HydrophobicContact CB-CZ 4.49Å; V266-F398 HydrophobicContact CG1-CZ 4.19Å; F267-F398 HydrophobicContact CB-CE1 4.01Å; F267-F398 HydrophobicContact CB-CZ 4.43Å; F267-F398 HydrophobicContact CD2-CD1 4.22Å; F267-F398 AromaticContact CD2-CE1 3.96Å; F267-F398 HydrophobicContact CD2-CE1 3.96Å; L270-F398 HydrophobicContact CD1-CE1 4.47Å; L394-F398 HydrophobicContact CD1-CD2 3.51Å; L394-F398 HydrophobicContact CD1-CE2 3.43Å; L394-F398 VanDerWaalsContact CD1-CE2 3.43Å; L394-F398 HydrophobicContact CD2-CE2 4.28Å; L394-F398 HydrophobicContact CG-CD2 3.79Å; L394-F398 HydrophobicContact CG-CE2 3.83Å; L394-F398 WeakPolarHBondContact O-CD2 3.35Å; L394-F398 PolarHBondContact O-N 2.94Å; F398-L400 VanDerWaalsContact C-N 3.29Å; F398-L400 PolarHBondContact O-N 2.88Å; F398-H401 PolarHBondContact O-N 2.83Å; F398-F402 HydrophobicContact CD1-CD2 4.42Å; F398-F402 HydrophobicContact CD1-CE2 4.01Å; F398-F402 WeakPolarHBondContact O-CD2 3.34Å; F398-F402 PolarHBondContact O-N 2.81Å; F398-L432 HydrophobicContact CD1-CD1 3.84Å; F398-L432 HydrophobicContact CE1-CD1 4.38Å; F398-L432 HydrophobicContact CG-CD1 4.42Å; F398-F436 HydrophobicContact CB-CE2 4.4Å; F398-F436 HydrophobicContact CD2-CE2 4.17Å; F398-F436 AromaticContact CD2-CZ 3.95Å; F398-F436 HydrophobicContact CD2-CZ 3.95Å; F398-F436 HydrophobicContact CE2-CZ 4.42Å; F398-F436 HydrophobicContact CG-CE2 4.46Å
399	R	81.2	Confident	79.2	Confident	51 Å²	51	51 Å²	51	19%	0.192	25%	0.245	C	C	.	.	H	α-helix	trans	-54	-46.2	176.3	-162	-170.5	73	83.7	-3.5	111.7	H184 F185 K395 E396 E397 K403	H184-R399 VanDerWaalsContact O-CD 3.23Å; H184-R399 WeakPolarHBondContact O-CD 3.18Å; H184-R399 WeakPolarHBondContact O-CG 3.47Å; H184-R399 PolarHBondContact O-NH1 2.57Å; F185-R399 HydrophobicContact CB-CG 4.26Å; F185-R399 HydrophobicContact CD1-CB 3.94Å; F185-R399 HydrophobicContact CD1-CG 4.08Å; F185-R399 HydrophobicContact CD2-CG 3.96Å; F185-R399 HydrophobicContact CE1-CB 4.01Å; F185-R399 HydrophobicContact CE1-CG 4.44Å; F185-R399 HydrophobicContact CE2-CG 4.34Å; F185-R399 HydrophobicContact CG-CB 4.23Å; F185-R399 HydrophobicContact CG-CG 3.84Å; F185-R399 HydrophobicContact CZ-CB 4.37Å; K395-R399 VanDerWaalsContact O-CB 3.29Å; K395-R399 WeakPolarHBondContact O-CB 3.36Å; K395-R399 PolarHBondContact O-N 3.2Å; E396-R399 VanDerWaalsContact CD-NE 3.28Å; E396-R399 WeakPolarHBondContact O-CB 3.41Å; E396-R399 PolarHBondContact O-N 3.07Å; E396-R399 IonicContact OE1-CZ 3.47Å; E396-R399 VanDerWaalsContact OE1-CZ 3.31Å; E396-R399 IonicContact OE1-NE 2.81Å; E396-R399 PolarHBondContact OE1-NE 2.96Å; E396-R399 VanDerWaalsContact OE1-NE 3.12Å; E396-R399 IonicContact OE1-NH2 2.82Å; E396-R399 PolarHBondContact OE1-NH2 3.45Å; E396-R399 IonicContact OE2-CZ 3.82Å; E396-R399 IonicContact OE2-NE 3.12Å; E396-R399 PolarHBondContact OE2-NE 3.4Å; E396-R399 IonicContact OE2-NH2 2.57Å; E397-R399 VanDerWaalsContact C-N 3.31Å; E397-R399 PolarHBondContact O-N 3.23Å; R399-K403 WeakPolarHBondContact O-CB 3.4Å; R399-K403 PolarHBondContact O-N 3.42Å
400	L	81.9	Confident	80.5	Confident	86 Å²	86	45 Å²	45	45%	0.45	22%	0.215	S	C	.	.	H	α-helix	trans	-67.6	-42.5	179.2	-175.4	62.6	0	0	0	112.3	E396 E397 F398 K403 N404	E396-L400 PolarHBondContact O-N 3.02Å; E397-L400 PolarHBondContact O-N 3.19Å; F398-L400 VanDerWaalsContact C-N 3.29Å; F398-L400 PolarHBondContact O-N 2.88Å; L400-K403 WeakPolarHBondContact O-CB 3.39Å; L400-K403 PolarHBondContact O-N 3.03Å; L400-N404 PolarHBondContact O-N 2.91Å
401	H	84.6	Confident	81.7	Confident	18 Å²	18	39.8 Å²	39.8	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-44.4	177.6	-69	-51.6	0	0	0	112	E226 F229 F267 E397 F398 K403 N404 I405	E226-H401 PolarHBondContact O-CE1 2.9Å; E226-H401 PolarHBondContact O-ND1 3.47Å; E226-H401 IonicContact OE2-ND1 3.48Å; F229-H401 AromaticContact CD1-NE2 3.83Å; F229-H401 AromaticContact CD2-NE2 3.95Å; F229-H401 AromaticContact CE1-CD2 3.7Å; F229-H401 AromaticContact CE1-NE2 3.77Å; F229-H401 AromaticContact CE2-CD2 3.94Å; F229-H401 AromaticContact CE2-NE2 3.91Å; F229-H401 AromaticContact CG-NE2 3.93Å; F229-H401 AromaticContact CZ-CD2 3.53Å; F229-H401 AromaticContact CZ-NE2 3.82Å; F267-H401 HydrophobicContact CE2-CB 3.77Å; F267-H401 HydrophobicContact CZ-CB 4.34Å; E397-H401 PolarHBondContact O-CD2 3.44Å; E397-H401 PolarHBondContact O-N 3.31Å; F398-H401 PolarHBondContact O-N 2.83Å; H401-K403 VanDerWaalsContact C-N 3.33Å; H401-K403 PolarHBondContact O-N 3.49Å; H401-N404 PolarHBondContact O-N 3.3Å; H401-I405 VanDerWaalsContact O-CG1 3.27Å; H401-I405 WeakPolarHBondContact O-CG1 3.38Å; H401-I405 PolarHBondContact O-N 2.97Å
402	F	84.1	Confident	83	Confident	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-32.7	177	-84.6	-87.8	0	0	0	112.7	F185 F267 F398 I405 S406 L428 L432	F185-F402 CarbonylContact O-C 3.26Å; F185-F402 WeakPolarHBondContact O-CB 3.29Å; F267-F402 HydrophobicContact CD2-CE2 4.34Å; F267-F402 HydrophobicContact CE2-CE2 4.19Å; F398-F402 HydrophobicContact CD1-CD2 4.42Å; F398-F402 HydrophobicContact CD1-CE2 4.01Å; F398-F402 WeakPolarHBondContact O-CD2 3.34Å; F398-F402 PolarHBondContact O-N 2.81Å; F402-I405 HydrophobicContact CD1-CD1 4.41Å; F402-I405 PolarHBondContact O-N 3.4Å; F402-S406 PolarHBondContact O-N 3.32Å; F402-L428 HydrophobicContact CE1-CB 3.99Å; F402-L428 HydrophobicContact CE1-CD2 3.6Å; F402-L428 HydrophobicContact CE1-CG 3.56Å; F402-L428 HydrophobicContact CZ-CB 4.5Å; F402-L428 HydrophobicContact CZ-CD2 3.59Å; F402-L428 HydrophobicContact CZ-CG 3.6Å; F402-L432 HydrophobicContact CD2-CD1 3.9Å; F402-L432 HydrophobicContact CE2-CD1 3.27Å; F402-L432 HydrophobicContact CZ-CD1 3.76Å
403	K	84.3	Confident	83.7	Confident	77 Å²	77	32.3 Å²	32.3	34%	0.335	16%	0.159	S	C	.	.	H	α-helix	trans	-61.2	-45.8	169.2	-167	-177	-177.9	-178.1	0	111.5	F185 E187 R399 L400 H401 S406 R407	F185-K403 PolarHBondContact O-N 2.84Å; E187-K403 HydrophobicContact CG-CD 4.31Å; E187-K403 HydrophobicContact CG-CG 3.65Å; E187-K403 VanDerWaalsContact OE1-CE 3.28Å; E187-K403 WeakPolarHBondContact OE1-CE 3.33Å; R399-K403 WeakPolarHBondContact O-CB 3.4Å; R399-K403 PolarHBondContact O-N 3.42Å; L400-K403 WeakPolarHBondContact O-CB 3.39Å; L400-K403 PolarHBondContact O-N 3.03Å; H401-K403 VanDerWaalsContact C-N 3.33Å; H401-K403 PolarHBondContact O-N 3.49Å; K403-S406 WeakPolarHBondContact O-CB 3.33Å; K403-S406 PolarHBondContact O-N 3.34Å; K403-R407 PolarHBondContact O-N 3.02Å
404	N	87.1	Confident	84.5	Confident	36 Å²	36	28.7 Å²	28.7	19%	0.193	14%	0.137	C	C	.	.	H	α-helix	trans	-64.6	-42.3	176.8	-70	-15.8	0	0	0	112	E226 L400 H401 S406 R407 I408	E226-N404 HydrophobicContact CG-CB 4.29Å; E226-N404 VanDerWaalsContact OE2-CB 3.28Å; E226-N404 WeakPolarHBondContact OE2-CB 3.42Å; E226-N404 PolarHBondContact OE2-ND2 3.1Å; L400-N404 PolarHBondContact O-N 2.91Å; H401-N404 PolarHBondContact O-N 3.3Å; N404-S406 VanDerWaalsContact C-N 3.28Å; N404-S406 PolarHBondContact O-N 3.4Å; N404-R407 WeakPolarHBondContact O-CB 3.44Å; N404-R407 PolarHBondContact O-N 3.13Å; N404-R407 VanDerWaalsContact O-N 3.09Å; N404-I408 WeakPolarHBondContact O-CG1 3.4Å; N404-I408 PolarHBondContact O-N 2.69Å
405	I	89.6	Confident	85.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-42.7	175.1	-68.4	164.6	0	0	0	110.7	I223 E226 F267 I271 H401 F402 R407 I408 M409 T425	I223-I405 HydrophobicContact CG1-CG2 4.42Å; I223-I405 HydrophobicContact CG2-CD1 4.26Å; I223-I405 HydrophobicContact CG2-CG1 4.16Å; I223-I405 HydrophobicContact CG2-CG2 4.49Å; E226-I405 HydrophobicContact CG-CG1 4.36Å; F267-I405 HydrophobicContact CE2-CD1 3.82Å; F267-I405 HydrophobicContact CZ-CD1 3.59Å; I271-I405 HydrophobicContact CD1-CD1 3.86Å; H401-I405 VanDerWaalsContact O-CG1 3.27Å; H401-I405 WeakPolarHBondContact O-CG1 3.38Å; H401-I405 PolarHBondContact O-N 2.97Å; F402-I405 HydrophobicContact CD1-CD1 4.41Å; F402-I405 PolarHBondContact O-N 3.4Å; I405-R407 VanDerWaalsContact C-N 3.26Å; I405-R407 PolarHBondContact O-N 3.14Å; I405-I408 WeakPolarHBondContact O-CA 3.23Å; I405-I408 WeakPolarHBondContact O-CB 3.16Å; I405-I408 PolarHBondContact O-N 3.24Å; I405-M409 HydrophobicContact CG2-CE 3.97Å; I405-M409 WeakPolarHBondContact O-CG 3.36Å; I405-M409 PolarHBondContact O-N 2.99Å; I405-T425 HydrophobicContact CG2-CG2 3.57Å
406	S	86.8	Confident	86.1	Confident	8 Å²	8	29.5 Å²	29.5	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-57.7	-39.4	176.6	-167.6	0	0	0	0	112.2	F402 K403 N404 M409	F402-S406 PolarHBondContact O-N 3.32Å; K403-S406 WeakPolarHBondContact O-CB 3.33Å; K403-S406 PolarHBondContact O-N 3.34Å; N404-S406 VanDerWaalsContact C-N 3.28Å; N404-S406 PolarHBondContact O-N 3.4Å; S406-M409 WeakPolarHBondContact O-CB 3.42Å; S406-M409 PolarHBondContact O-N 3.17Å
407	R	88.3	Confident	86.8	Confident	93 Å²	93	27.4 Å²	27.4	35%	0.351	14%	0.138	S	C	.	.	H	α-helix	trans	-70.2	-34.2	173.8	-61.9	177.5	73	-176.2	2.4	112.9	P103 F104 E187 K403 N404 I405 M409 D410	P103-R407 HydrophobicContact CG-CB 4.4Å; F104-R407 HydrophobicContact CE2-CB 4.03Å; F104-R407 HydrophobicContact CZ-CB 4.18Å; E187-R407 VanDerWaalsContact OE1-CD 3.25Å; E187-R407 WeakPolarHBondContact OE1-CD 3.29Å; E187-R407 WeakPolarHBondContact OE1-CG 3.37Å; E187-R407 IonicContact OE1-NE 3.18Å; K403-R407 PolarHBondContact O-N 3.02Å; N404-R407 WeakPolarHBondContact O-CB 3.44Å; N404-R407 PolarHBondContact O-N 3.13Å; N404-R407 VanDerWaalsContact O-N 3.09Å; I405-R407 VanDerWaalsContact C-N 3.26Å; I405-R407 PolarHBondContact O-N 3.14Å; R407-M409 VanDerWaalsContact C-N 3.26Å; R407-M409 PolarHBondContact O-N 2.85Å; R407-D410 WeakPolarHBondContact O-CB 3.19Å; R407-D410 PolarHBondContact O-N 3.42Å
408	I	91.4	Very high	87.5	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-32.8	173.9	-65.6	165.8	0	0	0	110.3	F104 W105 V219 I223 E226 N404 I405 D410 C411	F104-I408 HydrophobicContact CD2-CG1 4.24Å; F104-I408 HydrophobicContact CE2-CB 4.47Å; F104-I408 HydrophobicContact CE2-CG1 3.68Å; F104-I408 HydrophobicContact CZ-CG1 4.44Å; W105-I408 HydrophobicContact CH2-CG2 4.5Å; V219-I408 HydrophobicContact CG1-CG2 4.13Å; I223-I408 HydrophobicContact CD1-CG2 4.41Å; I223-I408 HydrophobicContact CG1-CB 4.44Å; I223-I408 HydrophobicContact CG1-CD1 4.38Å; I223-I408 HydrophobicContact CG1-CG2 3.85Å; E226-I408 HydrophobicContact CG-CD1 3.9Å; N404-I408 WeakPolarHBondContact O-CG1 3.4Å; N404-I408 PolarHBondContact O-N 2.69Å; I405-I408 WeakPolarHBondContact O-CA 3.23Å; I405-I408 WeakPolarHBondContact O-CB 3.16Å; I405-I408 PolarHBondContact O-N 3.24Å; I408-D410 PolarHBondContact O-N 3.16Å; I408-C411 WeakPolarHBondContact O-CA 3.45Å; I408-C411 VanDerWaalsContact O-CB 3.25Å; I408-C411 WeakPolarHBondContact O-CB 3.5Å; I408-C411 PolarHBondContact O-N 3.47Å
409	M	91.5	Very high	88.2	Confident	11 Å²	11	25.3 Å²	25.3	5%	0.054	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-24.1	174.5	-65.2	-57.3	173.8	0	0	112.5	I223 I405 S406 R407 C411 V412 R418 K422 T425	I223-M409 HydrophobicContact CD1-CE 3.62Å; I223-M409 HydrophobicContact CD1-SD 4.48Å; I405-M409 HydrophobicContact CG2-CE 3.97Å; I405-M409 WeakPolarHBondContact O-CG 3.36Å; I405-M409 PolarHBondContact O-N 2.99Å; S406-M409 WeakPolarHBondContact O-CB 3.42Å; S406-M409 PolarHBondContact O-N 3.17Å; R407-M409 VanDerWaalsContact C-N 3.26Å; R407-M409 PolarHBondContact O-N 2.85Å; M409-C411 PolarHBondContact O-N 3.47Å; M409-V412 WeakPolarHBondContact O-CB 3.32Å; M409-V412 PolarHBondContact O-N 2.87Å; M409-V412 HydrophobicContact SD-CG2 4.12Å; M409-R418 WeakPolarHBondContact O-CG 3.4Å; M409-K422 HydrophobicContact CB-CG 3.84Å; M409-T425 HydrophobicContact CE-CG2 3.53Å
410	D	90.3	Very high	88.8	Confident	9 Å²	9	23.1 Å²	23.1	5%	0.048	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.4	172.7	-65.9	-34.8	0	0	0	113.9	R100 R407 I408 R418 K422	R100-D410 HydrophobicContact CB-CB 4.45Å; R100-D410 WeakPolarHBondContact CD-OD2 3.24Å; R407-D410 WeakPolarHBondContact O-CB 3.19Å; R407-D410 PolarHBondContact O-N 3.42Å; I408-D410 PolarHBondContact O-N 3.16Å; D410-R418 VanDerWaalsContact CA-NH2 3.32Å; D410-R418 VanDerWaalsContact CB-NH2 3.31Å; D410-R418 VanDerWaalsContact CG-NH2 3.28Å; D410-R418 PolarHBondContact O-NH1 3.49Å; D410-R418 IonicContact OD1-CZ 3.48Å; D410-R418 IonicContact OD1-NE 2.77Å; D410-R418 IonicContact OD1-NH2 3.59Å; D410-R418 PolarHBondContact OD1-NH2 3.24Å; D410-K422 WeakPolarHBondContact OD1-CE 3.38Å; D410-K422 IonicContact OD1-NZ 2.66Å; D410-K422 PolarHBondContact OD1-NZ 3.42Å; D410-K422 IonicContact OD2-NZ 3.38Å
411	C	90.1	Very high	89.4	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.02	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	6.4	176.8	-56	0	0	0	0	114	C102 W105 I408 M409 G413	C102-C411 HydrophobicContact CB-CB 3.77Å; C102-C411 WeakPolarHBondContact CB-SG 3.38Å; C102-C411 WeakPolarHBondContact SG-CB 3.28Å; C102-C411 CovalentContact SG-SG 2.02Å; C102-C411 PolarHBondContact SG-SG 3.31Å; W105-C411 HydrophobicContact CD2-CB 4.49Å; W105-C411 HydrophobicContact CH2-CB 4.16Å; W105-C411 HydrophobicContact CZ2-CB 3.37Å; I408-C411 WeakPolarHBondContact O-CA 3.45Å; I408-C411 VanDerWaalsContact O-CB 3.25Å; I408-C411 WeakPolarHBondContact O-CB 3.5Å; I408-C411 PolarHBondContact O-N 3.47Å; M409-C411 PolarHBondContact O-N 3.47Å; C411-G413 PolarHBondContact O-N 3.48Å
412	V	90.4	Very high	89.8	Confident	9 Å²	9	18.5 Å²	18.5	6%	0.055	10%	0.097	C	C	.	.			trans	-85.9	108.2	175.7	179.5	0	0	0	0	109.1	Y211 V219 M409 C414 C417 R418	Y211-V412 HydrophobicContact CE1-CG1 4.11Å; V219-V412 HydrophobicContact CG1-CG2 3.85Å; V219-V412 HydrophobicContact CG2-CG2 4.12Å; M409-V412 WeakPolarHBondContact O-CB 3.32Å; M409-V412 PolarHBondContact O-N 2.87Å; M409-V412 HydrophobicContact SD-CG2 4.12Å; V412-C414 HydrophobicContact CG1-CB 4.08Å; V412-C414 PolarHBondContact O-N 2.94Å; V412-C417 HydrophobicContact CG1-CB 3.78Å; V412-R418 HydrophobicContact CB-CB 4.04Å; V412-R418 HydrophobicContact CG1-CB 4.16Å
413	G	85.4	Confident	90.3	Very high	16 Å²	16	18.5 Å²	18.5	17%	0.165	10%	0.097	C	C	.	.			trans	-73.5	-6.1	-179.5	0	0	0	0	0	115.3	G109 C411	G109-G413 CarbonylContact O-C 3.57Å; G109-G413 VanDerWaalsContact O-CA 3.22Å; G109-G413 WeakPolarHBondContact O-CA 3.31Å; C411-G413 PolarHBondContact O-N 3.48Å
414	C	88.8	Confident	90.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.			trans	-87.9	112.7	169.2	164.4	0	0	0	0	110.8	C111 C116 T209 Y211 V412 K416 C417 R418	C111-C414 WeakPolarHBondContact SG-CB 3.33Å; C111-C414 PolarHBondContact SG-SG 2.84Å; C116-C414 PolarHBondContact SG-SG 2.93Å; T209-C414 PolarHBondContact OG1-SG 3.32Å; Y211-C414 HydrophobicContact CD1-CB 4.1Å; Y211-C414 HydrophobicContact CD2-CB 3.9Å; Y211-C414 HydrophobicContact CE2-CB 4.44Å; Y211-C414 HydrophobicContact CG-CB 3.71Å; V412-C414 HydrophobicContact CG1-CB 4.08Å; V412-C414 PolarHBondContact O-N 2.94Å; C414-K416 PolarHBondContact O-N 2.96Å; C414-C417 HydrophobicContact CB-CB 3.56Å; C414-C417 WeakPolarHBondContact CB-SG 3.42Å; C414-C417 PolarHBondContact O-N 3.24Å; C414-C417 WeakPolarHBondContact SG-CB 3.37Å; C414-C417 PolarHBondContact SG-N 3.42Å; C414-C417 CovalentContact SG-SG 2.04Å; C414-C417 PolarHBondContact SG-SG 2.94Å; C414-R418 VanDerWaalsContact O-CB 3.29Å; C414-R418 WeakPolarHBondContact O-CB 3.22Å; C414-R418 PolarHBondContact O-N 3.46Å
415	S	89.1	Confident	91.2	Very high	37 Å²	37	13.3 Å²	13.3	26%	0.259	7%	0.073	S	C	.	.	H	α-helix	trans	-60.2	-45.5	-176.5	-51.3	0	0	0	0	113.5	R418 L419	S415-R418 PolarHBondContact O-N 3.36Å; S415-L419 WeakPolarHBondContact O-CB 3.3Å; S415-L419 PolarHBondContact O-N 3.09Å
416	K	89.9	Confident	91.3	Very high	15 Å²	15	14 Å²	14	7%	0.065	8%	0.076	C	C	.	.	H	α-helix	trans	-65.2	-40.8	176.5	-77.5	-178.5	-179.6	178.8	0	112.7	D115 H117 V118 T209 C414 R418 L419 W420	D115-K416 VanDerWaalsContact O-CE 3.25Å; D115-K416 WeakPolarHBondContact O-CE 3.24Å; D115-K416 PolarHBondContact O-NZ 3.29Å; H117-K416 WeakPolarHBondContact O-CE 3.33Å; V118-K416 HydrophobicContact CG2-CB 4.3Å; V118-K416 HydrophobicContact CG2-CG 3.55Å; T209-K416 HydrophobicContact CG2-CB 4.29Å; C414-K416 PolarHBondContact O-N 2.96Å; K416-R418 VanDerWaalsContact C-N 3.3Å; K416-R418 PolarHBondContact O-N 3.31Å; K416-L419 WeakPolarHBondContact O-CB 3.48Å; K416-L419 PolarHBondContact O-N 3.15Å; K416-W420 VanDerWaalsContact O-CD1 3.23Å; K416-W420 PolarHBondContact O-N 3.12Å
417	C	91.7	Very high	91.7	Very high	39 Å²	39	13.7 Å²	13.7	26%	0.264	7%	0.073	S	C	.	.	H	α-helix	trans	-66.8	-36.5	177.8	-43.4	0	0	0	0	111	T209 V412 C414 G421	T209-C417 PolarHBondContact OG1-SG 2.84Å; V412-C417 HydrophobicContact CG1-CB 3.78Å; C414-C417 HydrophobicContact CB-CB 3.56Å; C414-C417 WeakPolarHBondContact CB-SG 3.42Å; C414-C417 PolarHBondContact O-N 3.24Å; C414-C417 WeakPolarHBondContact SG-CB 3.37Å; C414-C417 PolarHBondContact SG-N 3.42Å; C414-C417 CovalentContact SG-SG 2.04Å; C414-C417 PolarHBondContact SG-SG 2.94Å; C417-G421 WeakPolarHBondContact O-CA 3.4Å; C417-G421 PolarHBondContact O-N 2.9Å
418	R	92.5	Very high	92	Very high	20 Å²	20	9.3 Å²	9.3	8%	0.075	6%	0.057	C	C	.	.	H	α-helix	trans	-66	-44.5	174.6	-179	169.7	-179	176.4	4.5	111.8	L98 R100 M409 D410 V412 C414 S415 K416 G421 K422	L98-R418 HydrophobicContact CD2-CB 4.31Å; L98-R418 HydrophobicContact CD2-CG 3.89Å; L98-R418 PolarHBondContact O-NH1 2.73Å; R100-R418 PolarHBondContact O-NH1 3.47Å; R100-R418 PolarHBondContact O-NH2 3Å; M409-R418 WeakPolarHBondContact O-CG 3.4Å; D410-R418 VanDerWaalsContact CA-NH2 3.32Å; D410-R418 VanDerWaalsContact CB-NH2 3.31Å; D410-R418 VanDerWaalsContact CG-NH2 3.28Å; D410-R418 PolarHBondContact O-NH1 3.49Å; D410-R418 IonicContact OD1-CZ 3.48Å; D410-R418 IonicContact OD1-NE 2.77Å; D410-R418 IonicContact OD1-NH2 3.59Å; D410-R418 PolarHBondContact OD1-NH2 3.24Å; V412-R418 HydrophobicContact CB-CB 4.04Å; V412-R418 HydrophobicContact CG1-CB 4.16Å; C414-R418 VanDerWaalsContact O-CB 3.29Å; C414-R418 WeakPolarHBondContact O-CB 3.22Å; C414-R418 PolarHBondContact O-N 3.46Å; S415-R418 PolarHBondContact O-N 3.36Å; K416-R418 VanDerWaalsContact C-N 3.3Å; K416-R418 PolarHBondContact O-N 3.31Å; R418-G421 PolarHBondContact O-N 3.24Å; R418-K422 WeakPolarHBondContact O-CB 3.35Å; R418-K422 WeakPolarHBondContact O-CG 3.44Å; R418-K422 PolarHBondContact O-N 2.86Å
419	L	92.3	Very high	91.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-55.5	-57.9	173.9	169.8	69.3	0	0	0	111.1	Y94 V96 L98 V118 V199 L201 N204 S415 K416 G421 K422 L423	Y94-L419 HydrophobicContact CD1-CD1 3.87Å; Y94-L419 HydrophobicContact CE1-CD1 4.41Å; V96-L419 HydrophobicContact CB-CD1 4.46Å; V96-L419 HydrophobicContact CG1-CD1 3.66Å; L98-L419 HydrophobicContact CD2-CB 4.2Å; V118-L419 HydrophobicContact CG1-CD2 4.36Å; V118-L419 HydrophobicContact CG2-CD2 4.25Å; V199-L419 HydrophobicContact CB-CD1 4.25Å; V199-L419 HydrophobicContact CG1-CD1 4.23Å; V199-L419 HydrophobicContact CG1-CD2 3.82Å; V199-L419 HydrophobicContact CG2-CD1 4.44Å; L201-L419 HydrophobicContact CD2-CD1 4.29Å; L201-L419 HydrophobicContact CD2-CD2 4.24Å; L201-L419 HydrophobicContact CD2-CG 4.42Å; N204-L419 HydrophobicContact CB-CD2 3.86Å; S415-L419 WeakPolarHBondContact O-CB 3.3Å; S415-L419 PolarHBondContact O-N 3.09Å; K416-L419 WeakPolarHBondContact O-CB 3.48Å; K416-L419 PolarHBondContact O-N 3.15Å; L419-G421 PolarHBondContact O-N 3.28Å; L419-K422 PolarHBondContact O-N 2.98Å; L419-L423 WeakPolarHBondContact O-CB 3.28Å; L419-L423 PolarHBondContact O-N 3.44Å
420	W	95.4	Very high	91.9	Very high	5 Å²	5	8.7 Å²	8.7	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-67.7	-36	-178.8	-73.5	104.9	0	0	0	112.3	L201 N204 E206 K416 L423 Q424 R469	L201-W420 HydrophobicContact CB-CH2 4.34Å; L201-W420 HydrophobicContact CB-CZ2 4.44Å; L201-W420 HydrophobicContact CD2-CH2 4.32Å; L201-W420 HydrophobicContact CD2-CZ2 4.32Å; N204-W420 WeakPolarHBondContact O-CZ2 3.4Å; N204-W420 PolarHBondContact O-NE1 2.76Å; E206-W420 HydrophobicContact CB-CD2 3.76Å; E206-W420 HydrophobicContact CB-CE3 4.42Å; E206-W420 HydrophobicContact CB-CG 3.81Å; E206-W420 HydrophobicContact CB-CZ2 4.34Å; E206-W420 HydrophobicContact CG-CB 4.4Å; E206-W420 HydrophobicContact CG-CD2 4.43Å; E206-W420 HydrophobicContact CG-CG 4.08Å; E206-W420 VanDerWaalsContact N-NE1 3.14Å; K416-W420 VanDerWaalsContact O-CD1 3.23Å; K416-W420 PolarHBondContact O-N 3.12Å; W420-L423 HydrophobicContact CE3-CD1 4.48Å; W420-L423 HydrophobicContact CE3-CD2 4.19Å; W420-L423 HydrophobicContact CZ3-CD1 4.29Å; W420-L423 HydrophobicContact CZ3-CD2 4.19Å; W420-L423 PolarHBondContact O-N 3.37Å; W420-Q424 VanDerWaalsContact O-CB 3.31Å; W420-Q424 WeakPolarHBondContact O-CB 3.16Å; W420-Q424 VanDerWaalsContact O-CG 3.3Å; W420-Q424 WeakPolarHBondContact O-CG 3.33Å; W420-Q424 PolarHBondContact O-N 3.02Å; W420-Q424 PolarHBondContact O-OE1 3.41Å; W420-R469 HydrophobicContact CE3-CG 4.02Å; W420-R469 HydrophobicContact CZ3-CG 3.8Å
421	G	94.4	Very high	92	Very high	4 Å²	4	8.3 Å²	8.3	4%	0.041	5%	0.052	C	C	.	.	H	α-helix	trans	-61.4	-47	175.1	0	0	0	0	0	112.7	C417 R418 L419 T425	C417-G421 WeakPolarHBondContact O-CA 3.4Å; C417-G421 PolarHBondContact O-N 2.9Å; R418-G421 PolarHBondContact O-N 3.24Å; L419-G421 PolarHBondContact O-N 3.28Å; G421-T425 VanDerWaalsContact O-CB 3.32Å; G421-T425 WeakPolarHBondContact O-CB 3.22Å; G421-T425 WeakPolarHBondContact O-CG2 3.12Å; G421-T425 PolarHBondContact O-N 2.91Å; G421-T425 PolarHBondContact O-OG1 3.32Å
422	K	92.8	Very high	91.9	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.017	5%	0.051	C	C	.	.	H	α-helix	trans	-62.2	-46.9	172.9	-79.3	-177.4	173.4	-86.2	0	111.7	V96 D190 M409 D410 R418 L419 T425 Q426	V96-K422 HydrophobicContact CG2-CB 4.47Å; V96-K422 HydrophobicContact CG2-CD 3.56Å; D190-K422 IonicContact OD1-NZ 2.63Å; D190-K422 WeakPolarHBondContact OD2-CE 3.45Å; D190-K422 IonicContact OD2-NZ 3.14Å; D190-K422 PolarHBondContact OD2-NZ 2.86Å; M409-K422 HydrophobicContact CB-CG 3.84Å; D410-K422 WeakPolarHBondContact OD1-CE 3.38Å; D410-K422 IonicContact OD1-NZ 2.66Å; D410-K422 PolarHBondContact OD1-NZ 3.42Å; D410-K422 IonicContact OD2-NZ 3.38Å; R418-K422 WeakPolarHBondContact O-CB 3.35Å; R418-K422 WeakPolarHBondContact O-CG 3.44Å; R418-K422 PolarHBondContact O-N 2.86Å; L419-K422 PolarHBondContact O-N 2.98Å; K422-T425 PolarHBondContact O-OG1 3.19Å; K422-Q426 VanDerWaalsContact O-CB 3.27Å; K422-Q426 WeakPolarHBondContact O-CB 3.35Å; K422-Q426 PolarHBondContact O-N 3.01Å
423	L	94.6	Very high	91.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.8	-50.9	-179.3	-177.3	153.3	0	0	0	111.9	Y94 L201 L419 W420 Q426 G427 N465	Y94-L423 HydrophobicContact CD1-CB 4.42Å; Y94-L423 HydrophobicContact CD1-CD1 4.13Å; Y94-L423 HydrophobicContact CD2-CD1 4.18Å; Y94-L423 HydrophobicContact CE1-CB 3.97Å; Y94-L423 HydrophobicContact CE1-CD1 4.45Å; Y94-L423 HydrophobicContact CE2-CG 4.44Å; Y94-L423 HydrophobicContact CG-CD1 3.98Å; L201-L423 HydrophobicContact CD1-CD1 3.66Å; L201-L423 HydrophobicContact CD2-CD1 3.86Å; L201-L423 HydrophobicContact CG-CD1 4.43Å; L419-L423 WeakPolarHBondContact O-CB 3.28Å; L419-L423 PolarHBondContact O-N 3.44Å; W420-L423 HydrophobicContact CE3-CD1 4.48Å; W420-L423 HydrophobicContact CE3-CD2 4.19Å; W420-L423 HydrophobicContact CZ3-CD1 4.29Å; W420-L423 HydrophobicContact CZ3-CD2 4.19Å; W420-L423 PolarHBondContact O-N 3.37Å; L423-Q426 PolarHBondContact O-N 3.28Å; L423-G427 PolarHBondContact O-N 3.28Å; L423-N465 HydrophobicContact CD1-CB 4.02Å; L423-N465 HydrophobicContact CD2-CB 3.63Å; L423-N465 HydrophobicContact CG-CB 4.33Å
424	Q	96.3	Very high	91.7	Very high	3 Å²	3	7.6 Å²	7.6	1%	0.014	4%	0.043	C	C	.	.	H	α-helix	trans	-69.7	-37.7	-176.1	-70.9	167.4	-36.7	0	0	111.7	E206 L274 W420 G427 L428 R469	E206-Q424 PolarHBondContact OE1-NE2 2.89Å; E206-Q424 VanDerWaalsContact OE1-NE2 3.07Å; E206-Q424 PolarHBondContact OE1-OE1 3.04Å; E206-Q424 PolarHBondContact OE2-NE2 3.2Å; L274-Q424 HydrophobicContact CD1-CB 3.66Å; L274-Q424 HydrophobicContact CD1-CG 4.11Å; L274-Q424 HydrophobicContact CD2-CB 4.47Å; W420-Q424 VanDerWaalsContact O-CB 3.31Å; W420-Q424 WeakPolarHBondContact O-CB 3.16Å; W420-Q424 VanDerWaalsContact O-CG 3.3Å; W420-Q424 WeakPolarHBondContact O-CG 3.33Å; W420-Q424 PolarHBondContact O-N 3.02Å; W420-Q424 PolarHBondContact O-OE1 3.41Å; Q424-G427 PolarHBondContact O-N 2.87Å; Q424-L428 WeakPolarHBondContact O-CB 3.41Å; Q424-L428 PolarHBondContact O-N 3.02Å; Q424-R469 HydrophobicContact CG-CG 4.43Å
425	T	93.3	Very high	91.4	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-70.2	-35.3	176.1	54.4	0	0	0	0	112.2	L274 I405 M409 G421 K422 G429	L274-T425 HydrophobicContact CD2-CG2 4.01Å; I405-T425 HydrophobicContact CG2-CG2 3.57Å; M409-T425 HydrophobicContact CE-CG2 3.53Å; G421-T425 VanDerWaalsContact O-CB 3.32Å; G421-T425 WeakPolarHBondContact O-CB 3.22Å; G421-T425 WeakPolarHBondContact O-CG2 3.12Å; G421-T425 PolarHBondContact O-N 2.91Å; G421-T425 PolarHBondContact O-OG1 3.32Å; K422-T425 PolarHBondContact O-OG1 3.19Å; T425-G429 PolarHBondContact O-N 2.95Å
426	Q	92.3	Very high	90.9	Very high	15 Å²	15	8.3 Å²	8.3	7%	0.07	4%	0.043	C	C	.	.	H	α-helix	trans	-64.9	-46.5	171	-173	175.5	20.5	0	0	111.8	Y94 C186 K422 L423 L428 G429 T430 A462	Y94-Q426 PolarHBondContact OH-OE1 2.73Å; C186-Q426 HydrophobicContact CB-CG 4.25Å; C186-Q426 VanDerWaalsContact SG-CA 3.59Å; K422-Q426 VanDerWaalsContact O-CB 3.27Å; K422-Q426 WeakPolarHBondContact O-CB 3.35Å; K422-Q426 PolarHBondContact O-N 3.01Å; L423-Q426 PolarHBondContact O-N 3.28Å; Q426-L428 VanDerWaalsContact C-N 3.34Å; Q426-L428 PolarHBondContact O-N 2.93Å; Q426-G429 PolarHBondContact O-N 3.47Å; Q426-T430 WeakPolarHBondContact O-CB 3.23Å; Q426-T430 PolarHBondContact O-N 2.91Å; Q426-T430 PolarHBondContact O-OG1 3.16Å; Q426-T430 VanDerWaalsContact O-OG1 3.05Å; Q426-A462 HydrophobicContact CB-CB 3.93Å; Q426-A462 HydrophobicContact CG-CB 3.84Å
427	G	94.7	Very high	90.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.2	-43.9	177.3	0	0	0	0	0	112.6	L423 Q424 T430 A431	L423-G427 PolarHBondContact O-N 3.28Å; Q424-G427 PolarHBondContact O-N 2.87Å; G427-T430 PolarHBondContact O-N 2.83Å; G427-A431 PolarHBondContact O-N 3.39Å
428	L	94.1	Very high	89.6	Confident	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-65.6	-41.5	175.2	179.5	53	0	0	0	112.3	L270 L327 E331 F402 Q424 Q426 T430 A431 L432	L270-L428 HydrophobicContact CB-CD2 4.15Å; L270-L428 HydrophobicContact CD1-CD1 4.42Å; L270-L428 HydrophobicContact CD2-CD1 4.29Å; L327-L428 HydrophobicContact CD1-CD1 3.55Å; L327-L428 HydrophobicContact CD1-CD2 4.04Å; L327-L428 HydrophobicContact CD1-CG 4.4Å; E331-L428 HydrophobicContact CG-CD1 4.49Å; F402-L428 HydrophobicContact CE1-CB 3.99Å; F402-L428 HydrophobicContact CE1-CD2 3.6Å; F402-L428 HydrophobicContact CE1-CG 3.56Å; F402-L428 HydrophobicContact CZ-CB 4.5Å; F402-L428 HydrophobicContact CZ-CD2 3.59Å; F402-L428 HydrophobicContact CZ-CG 3.6Å; Q424-L428 WeakPolarHBondContact O-CB 3.41Å; Q424-L428 PolarHBondContact O-N 3.02Å; Q426-L428 VanDerWaalsContact C-N 3.34Å; Q426-L428 PolarHBondContact O-N 2.93Å; L428-T430 VanDerWaalsContact C-N 3.33Å; L428-T430 PolarHBondContact O-N 3.3Å; L428-A431 WeakPolarHBondContact O-CB 3.18Å; L428-A431 PolarHBondContact O-N 3.38Å; L428-L432 WeakPolarHBondContact O-CG 3.33Å; L428-L432 PolarHBondContact O-N 3.48Å
429	G	91	Very high	88.6	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.5	-42.6	172.7	0	0	0	0	0	112.3	T425 Q426 L432 K433	T425-G429 PolarHBondContact O-N 2.95Å; Q426-G429 PolarHBondContact O-N 3.47Å; G429-L432 PolarHBondContact O-N 3.45Å; G429-K433 PolarHBondContact O-N 3.45Å
430	T	91.3	Very high	87.8	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-39.1	174.2	-59.7	0	0	0	0	112	Q426 G427 L428 L432 K433 I434 L455 E459 L463	Q426-T430 WeakPolarHBondContact O-CB 3.23Å; Q426-T430 PolarHBondContact O-N 2.91Å; Q426-T430 PolarHBondContact O-OG1 3.16Å; Q426-T430 VanDerWaalsContact O-OG1 3.05Å; G427-T430 PolarHBondContact O-N 2.83Å; L428-T430 VanDerWaalsContact C-N 3.33Å; L428-T430 PolarHBondContact O-N 3.3Å; T430-L432 VanDerWaalsContact C-N 3.34Å; T430-L432 PolarHBondContact O-N 2.98Å; T430-K433 WeakPolarHBondContact O-CB 3.47Å; T430-K433 PolarHBondContact O-N 3.32Å; T430-I434 HydrophobicContact CG2-CD1 4.16Å; T430-I434 WeakPolarHBondContact O-CD1 3.2Å; T430-I434 WeakPolarHBondContact O-CG1 3.45Å; T430-I434 PolarHBondContact O-N 2.96Å; T430-L455 HydrophobicContact CG2-CD2 3.79Å; T430-E459 HydrophobicContact CG2-CB 3.97Å; T430-L463 HydrophobicContact CG2-CB 4.14Å; T430-L463 HydrophobicContact CG2-CD1 4.43Å; T430-L463 HydrophobicContact CG2-CD2 4.23Å
431	A	91.9	Very high	86.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.9	-44.3	175.2	0	0	0	0	0	111.3	E331 A334 G427 L428 I434 L435 L463	E331-A431 HydrophobicContact CG-CB 4.01Å; A334-A431 HydrophobicContact CB-CB 3.69Å; A334-A431 WeakPolarHBondContact CB-O 3.32Å; G427-A431 PolarHBondContact O-N 3.39Å; L428-A431 WeakPolarHBondContact O-CB 3.18Å; L428-A431 PolarHBondContact O-N 3.38Å; A431-I434 WeakPolarHBondContact O-CB 3.45Å; A431-I434 PolarHBondContact O-N 3.29Å; A431-L435 WeakPolarHBondContact O-CG 3.24Å; A431-L435 PolarHBondContact O-N 3.07Å; A431-L463 HydrophobicContact CB-CD1 3.87Å
432	L	86.8	Confident	85.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-42.7	174.5	-66.4	174	0	0	0	111.9	F185 L270 F398 F402 L428 G429 T430 I434 L435 F436	F185-L432 HydrophobicContact CE1-CB 4.19Å; L270-L432 HydrophobicContact CD1-CD1 4.21Å; L270-L432 HydrophobicContact CD1-CD2 4.15Å; F398-L432 HydrophobicContact CD1-CD1 3.84Å; F398-L432 HydrophobicContact CE1-CD1 4.38Å; F398-L432 HydrophobicContact CG-CD1 4.42Å; F402-L432 HydrophobicContact CD2-CD1 3.9Å; F402-L432 HydrophobicContact CE2-CD1 3.27Å; F402-L432 HydrophobicContact CZ-CD1 3.76Å; L428-L432 WeakPolarHBondContact O-CG 3.33Å; L428-L432 PolarHBondContact O-N 3.48Å; G429-L432 PolarHBondContact O-N 3.45Å; T430-L432 VanDerWaalsContact C-N 3.34Å; T430-L432 PolarHBondContact O-N 2.98Å; L432-I434 VanDerWaalsContact C-N 3.26Å; L432-I434 PolarHBondContact O-N 3.3Å; L432-L435 HydrophobicContact CD2-CD1 4.5Å; L432-L435 PolarHBondContact O-N 2.87Å; L432-L435 VanDerWaalsContact O-N 3.13Å; L432-F436 HydrophobicContact CB-CD2 4.41Å; L432-F436 HydrophobicContact CB-CE2 4.33Å; L432-F436 WeakPolarHBondContact O-CD2 3.37Å; L432-F436 PolarHBondContact O-N 3Å
433	K	86.3	Confident	84.9	Confident	13 Å²	13	30.9 Å²	30.9	6%	0.057	15%	0.147	C	C	.	.	H	α-helix	trans	-51.2	-46.7	173.1	-178.1	179.5	165.8	-179.9	0	111.3	F185 G429 T430 S437 F453 Q454 L455 E459	F185-K433 HydrophobicContact CD2-CB 3.47Å; F185-K433 VanDerWaalsContact CD2-CB 3.47Å; F185-K433 HydrophobicContact CD2-CD 4.1Å; F185-K433 HydrophobicContact CD2-CG 3.78Å; F185-K433 VanDerWaalsContact CE2-CA 3.49Å; F185-K433 HydrophobicContact CE2-CB 3.46Å; F185-K433 VanDerWaalsContact CE2-CB 3.46Å; F185-K433 HydrophobicContact CE2-CD 4.47Å; F185-K433 HydrophobicContact CE2-CG 3.7Å; F185-K433 HydrophobicContact CG-CB 4.16Å; F185-K433 HydrophobicContact CZ-CB 4.14Å; G429-K433 PolarHBondContact O-N 3.45Å; T430-K433 WeakPolarHBondContact O-CB 3.47Å; T430-K433 PolarHBondContact O-N 3.32Å; K433-S437 WeakPolarHBondContact O-CB 3.33Å; K433-S437 PolarHBondContact O-N 3.29Å; K433-S437 VanDerWaalsContact O-N 3.15Å; K433-F453 HydrophobicContact CG-CE2 4.2Å; K433-Q454 PolarHBondContact NZ-O 2.69Å; K433-Q454 VanDerWaalsContact NZ-O 3.12Å; K433-L455 HydrophobicContact CD-CD2 4.39Å; K433-E459 WeakPolarHBondContact CD-OE1 3.38Å; K433-E459 IonicContact NZ-OE1 2.78Å; K433-E459 PolarHBondContact NZ-OE1 2.92Å; K433-E459 IonicContact NZ-OE2 2.61Å; K433-E459 PolarHBondContact NZ-OE2 2.61Å; K433-E459 VanDerWaalsContact NZ-OE2 3.12Å
434	I	87	Confident	83.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-49	177.5	-71.8	159.3	0	0	0	111.3	A334 K337 V338 T430 A431 L432 F436 S437 E438 I441 F453 L455 L463	A334-I434 HydrophobicContact CB-CB 4.23Å; A334-I434 HydrophobicContact CB-CD1 4.45Å; A334-I434 HydrophobicContact CB-CG2 4.1Å; A334-I434 WeakPolarHBondContact O-CG2 3.45Å; K337-I434 HydrophobicContact CB-CG2 4.04Å; V338-I434 HydrophobicContact CB-CD1 3.86Å; V338-I434 HydrophobicContact CB-CG1 4.14Å; V338-I434 HydrophobicContact CB-CG2 3.87Å; V338-I434 HydrophobicContact CG1-CD1 4.05Å; V338-I434 HydrophobicContact CG2-CD1 3.94Å; V338-I434 HydrophobicContact CG2-CG1 4.09Å; T430-I434 HydrophobicContact CG2-CD1 4.16Å; T430-I434 WeakPolarHBondContact O-CD1 3.2Å; T430-I434 WeakPolarHBondContact O-CG1 3.45Å; T430-I434 PolarHBondContact O-N 2.96Å; A431-I434 WeakPolarHBondContact O-CB 3.45Å; A431-I434 PolarHBondContact O-N 3.29Å; L432-I434 VanDerWaalsContact C-N 3.26Å; L432-I434 PolarHBondContact O-N 3.3Å; I434-F436 VanDerWaalsContact C-N 3.28Å; I434-F436 PolarHBondContact O-N 3.09Å; I434-S437 PolarHBondContact O-N 3.45Å; I434-S437 VanDerWaalsContact O-N 3.09Å; I434-E438 PolarHBondContact O-N 2.74Å; I434-I441 HydrophobicContact CG2-CD1 3.92Å; I434-F453 HydrophobicContact CG1-CE2 4.48Å; I434-F453 HydrophobicContact CG1-CZ 3.74Å; I434-L455 HydrophobicContact CD1-CD1 4.32Å; I434-L463 HydrophobicContact CD1-CD1 4.34Å; I434-L463 HydrophobicContact CD1-CD2 3.49Å; I434-L463 VanDerWaalsContact CD1-CD2 3.49Å
435	L	82.5	Confident	82.2	Confident	17 Å²	17	35.1 Å²	35.1	9%	0.089	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-36.2	-177.5	-68.9	172.3	0	0	0	112.1	I330 R333 A334 K337 F384 A431 L432	I330-L435 HydrophobicContact CG2-CD1 3.8Å; R333-L435 HydrophobicContact CB-CD2 4.06Å; R333-L435 HydrophobicContact CG-CD2 3.64Å; A334-L435 HydrophobicContact CB-CD1 4.46Å; A334-L435 HydrophobicContact CB-CD2 4.29Å; A334-L435 HydrophobicContact CB-CG 4.05Å; K337-L435 HydrophobicContact CG-CD2 4.48Å; F384-L435 HydrophobicContact CE2-CD1 4.25Å; F384-L435 HydrophobicContact CZ-CD1 4.18Å; A431-L435 WeakPolarHBondContact O-CG 3.24Å; A431-L435 PolarHBondContact O-N 3.07Å; L432-L435 HydrophobicContact CD2-CD1 4.5Å; L432-L435 PolarHBondContact O-N 2.87Å; L432-L435 VanDerWaalsContact O-N 3.13Å
436	F	78.4	Confident	80.5	Confident	36 Å²	36	42.1 Å²	42.1	16%	0.158	21%	0.207	C	C	.	.	H	α-helix	trans	-77.3	-19.1	175.7	-72.4	-65.1	0	0	0	114.2	F185 F384 L394 K395 F398 L432 I434	F185-F436 HydrophobicContact CE1-CD2 4.38Å; F185-F436 HydrophobicContact CZ-CD2 4.12Å; F384-F436 HydrophobicContact CD1-CD1 4.26Å; F384-F436 AromaticContact CD1-CE1 3.51Å; F384-F436 HydrophobicContact CD1-CE1 3.51Å; F384-F436 AromaticContact CD1-CZ 3.69Å; F384-F436 HydrophobicContact CD1-CZ 3.69Å; F384-F436 HydrophobicContact CE1-CE1 4.03Å; F384-F436 HydrophobicContact CE1-CE2 4.3Å; F384-F436 AromaticContact CE1-CZ 3.71Å; F384-F436 HydrophobicContact CE1-CZ 3.71Å; F384-F436 HydrophobicContact CG-CE1 4.48Å; L394-F436 HydrophobicContact CD2-CE1 4.43Å; L394-F436 HydrophobicContact CD2-CZ 4.42Å; L394-F436 HydrophobicContact CG-CE1 4.35Å; L394-F436 HydrophobicContact CG-CZ 4.15Å; K395-F436 HydrophobicContact CB-CB 4.29Å; K395-F436 HydrophobicContact CB-CD1 4.04Å; K395-F436 HydrophobicContact CB-CD2 4.21Å; K395-F436 HydrophobicContact CB-CE1 4.42Å; K395-F436 HydrophobicContact CB-CG 3.93Å; K395-F436 HydrophobicContact CD-CB 3.93Å; K395-F436 HydrophobicContact CD-CG 4.5Å; K395-F436 HydrophobicContact CG-CB 3.76Å; K395-F436 HydrophobicContact CG-CD1 4.41Å; K395-F436 HydrophobicContact CG-CD2 3.98Å; K395-F436 HydrophobicContact CG-CG 3.81Å; F398-F436 HydrophobicContact CB-CE2 4.4Å; F398-F436 HydrophobicContact CD2-CE2 4.17Å; F398-F436 AromaticContact CD2-CZ 3.95Å; F398-F436 HydrophobicContact CD2-CZ 3.95Å; F398-F436 HydrophobicContact CE2-CZ 4.42Å; F398-F436 HydrophobicContact CG-CE2 4.46Å; L432-F436 HydrophobicContact CB-CD2 4.41Å; L432-F436 HydrophobicContact CB-CE2 4.33Å; L432-F436 WeakPolarHBondContact O-CD2 3.37Å; L432-F436 PolarHBondContact O-N 3Å; I434-F436 VanDerWaalsContact C-N 3.28Å; I434-F436 PolarHBondContact O-N 3.09Å
437	S	79.2	Confident	78.7	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.014	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	19.2	-179	-80	0	0	0	0	114	K433 I434 K439 E440 I441 F453	K433-S437 WeakPolarHBondContact O-CB 3.33Å; K433-S437 PolarHBondContact O-N 3.29Å; K433-S437 VanDerWaalsContact O-N 3.15Å; I434-S437 PolarHBondContact O-N 3.45Å; I434-S437 VanDerWaalsContact O-N 3.09Å; S437-K439 VanDerWaalsContact C-N 3.29Å; S437-K439 PolarHBondContact O-N 2.96Å; S437-K439 VanDerWaalsContact O-N 3.17Å; S437-E440 VanDerWaalsContact CB-OE2 3.28Å; S437-E440 WeakPolarHBondContact CB-OE2 3.42Å; S437-E440 WeakPolarHBondContact O-CA 3.48Å; S437-E440 WeakPolarHBondContact O-CB 3.41Å; S437-E440 PolarHBondContact O-N 2.83Å; S437-E440 PolarHBondContact OG-OE2 3.32Å; S437-I441 WeakPolarHBondContact O-CG1 3.41Å; S437-I441 PolarHBondContact O-N 2.87Å; S437-F453 VanDerWaalsContact CB-CD2 3.45Å
438	E	74.5	Confident	76.5	Confident	50 Å²	50	52.6 Å²	52.6	23%	0.234	26%	0.262	C	S	.	.	H	α-helix	trans	-51.8	-44.9	-176.7	177.3	172.3	-175.3	0	0	113.5	K337 I434 E440 I441 Q442	K337-E438 HydrophobicContact CD-CG 4.26Å; K337-E438 WeakPolarHBondContact CE-OE1 3.35Å; K337-E438 VanDerWaalsContact NZ-CD 3.32Å; K337-E438 IonicContact NZ-OE1 2.64Å; K337-E438 PolarHBondContact NZ-OE1 3.08Å; K337-E438 IonicContact NZ-OE2 3.82Å; I434-E438 PolarHBondContact O-N 2.74Å; E438-E440 VanDerWaalsContact C-N 3.28Å; E438-E440 PolarHBondContact O-N 3.14Å; E438-I441 PolarHBondContact O-N 3.39Å; E438-Q442 HydrophobicContact CG-CG 4.49Å; E438-Q442 WeakPolarHBondContact O-CG 3.39Å; E438-Q442 PolarHBondContact O-N 3.3Å; E438-Q442 PolarHBondContact OE1-NE2 3.5Å
439	K	72.4	Confident	74.5	Confident	147 Å²	147	57.2 Å²	57.2	64%	0.639	29%	0.293	S	S	*	.	H	α-helix	trans	-66.2	-31.5	179.6	-66.7	-179.2	-177.1	171.9	0	112.6	S437 N443	S437-K439 VanDerWaalsContact C-N 3.29Å; S437-K439 PolarHBondContact O-N 2.96Å; S437-K439 VanDerWaalsContact O-N 3.17Å; K439-N443 PolarHBondContact O-N 3.18Å; K439-N443 PolarHBondContact O-ND2 3.17Å
440	E	74.8	Confident	72.6	Confident	81 Å²	81	59.5 Å²	59.5	38%	0.379	31%	0.309	S	S	.	.	H	α-helix	trans	-74	-40.7	177.4	-65	162.3	-171.7	0	0	109.7	S437 E438 N443 L444 F453	S437-E440 VanDerWaalsContact CB-OE2 3.28Å; S437-E440 WeakPolarHBondContact CB-OE2 3.42Å; S437-E440 WeakPolarHBondContact O-CA 3.48Å; S437-E440 WeakPolarHBondContact O-CB 3.41Å; S437-E440 PolarHBondContact O-N 2.83Å; S437-E440 PolarHBondContact OG-OE2 3.32Å; E438-E440 VanDerWaalsContact C-N 3.28Å; E438-E440 PolarHBondContact O-N 3.14Å; E440-N443 PolarHBondContact O-N 2.69Å; E440-L444 WeakPolarHBondContact O-CG 3.46Å; E440-L444 PolarHBondContact O-N 2.97Å; E440-F453 HydrophobicContact CB-CB 4.19Å
441	I	75.3	Confident	70.7	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.036	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-42.6	178.6	-63	166.8	0	0	0	111.4	I434 S437 E438 N443 L444 F453	I434-I441 HydrophobicContact CG2-CD1 3.92Å; S437-I441 WeakPolarHBondContact O-CG1 3.41Å; S437-I441 PolarHBondContact O-N 2.87Å; E438-I441 PolarHBondContact O-N 3.39Å; I441-N443 PolarHBondContact O-N 3.02Å; I441-L444 HydrophobicContact CB-CD1 4.35Å; I441-L444 HydrophobicContact CG2-CD1 4.16Å; I441-L444 WeakPolarHBondContact O-CB 3.35Å; I441-L444 WeakPolarHBondContact O-CD1 3.45Å; I441-L444 WeakPolarHBondContact O-CG 3.37Å; I441-L444 PolarHBondContact O-N 2.83Å; I441-F453 HydrophobicContact CD1-CD1 4.32Å; I441-F453 HydrophobicContact CD1-CE1 4.06Å; I441-F453 HydrophobicContact CD1-CE2 4.24Å; I441-F453 HydrophobicContact CD1-CZ 4.02Å; I441-F453 HydrophobicContact CG1-CB 4.41Å; I441-F453 HydrophobicContact CG1-CD1 3.77Å; I441-F453 HydrophobicContact CG1-CD2 4.21Å; I441-F453 HydrophobicContact CG1-CE1 4.01Å; I441-F453 HydrophobicContact CG1-CE2 4.42Å; I441-F453 HydrophobicContact CG1-CG 3.88Å; I441-F453 HydrophobicContact CG1-CZ 4.34Å
442	Q	74.3	Confident	69.5	Low	135 Å²	135	72.7 Å²	72.7	63%	0.631	38%	0.384	S	S	*	.	H	α-helix	trans	-65.6	-26.7	177.7	-73.7	175.6	-0.3	0	0	113.5	E438	E438-Q442 HydrophobicContact CG-CG 4.49Å; E438-Q442 WeakPolarHBondContact O-CG 3.39Å; E438-Q442 PolarHBondContact O-N 3.3Å; E438-Q442 PolarHBondContact OE1-NE2 3.5Å
443	N	72.2	Confident	69.2	Low	138 Å²	138	73 Å²	73	74%	0.738	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	9.4	-179.5	-70.1	-41.1	0	0	0	113.1	K439 E440 I441 S445	K439-N443 PolarHBondContact O-N 3.18Å; K439-N443 PolarHBondContact O-ND2 3.17Å; E440-N443 PolarHBondContact O-N 2.69Å; I441-N443 PolarHBondContact O-N 3.02Å; N443-S445 PolarHBondContact O-N 3.28Å
444	L	70.5	Confident	68.9	Low	30 Å²	30	78.4 Å²	78.4	16%	0.157	41%	0.41	C	S	.	.			trans	-68.6	120.8	178.8	-69.6	169.1	0	0	0	110.5	Y341 E440 I441 F453	Y341-L444 HydrophobicContact CD2-CD1 4.04Å; E440-L444 WeakPolarHBondContact O-CG 3.46Å; E440-L444 PolarHBondContact O-N 2.97Å; I441-L444 HydrophobicContact CB-CD1 4.35Å; I441-L444 HydrophobicContact CG2-CD1 4.16Å; I441-L444 WeakPolarHBondContact O-CB 3.35Å; I441-L444 WeakPolarHBondContact O-CD1 3.45Å; I441-L444 WeakPolarHBondContact O-CG 3.37Å; I441-L444 PolarHBondContact O-N 2.83Å; L444-F453 HydrophobicContact CD2-CB 4.36Å
445	S	63.7	Low	68.7	Low	62 Å²	62	78.7 Å²	78.7	43%	0.434	41%	0.412	S	S	.	.			trans	-70.2	144.1	171.4	80	0	0	0	0	110.9	N443 H447 S448	N443-S445 PolarHBondContact O-N 3.28Å; S445-H447 VanDerWaalsContact C-N 3.3Å; S445-H447 PolarHBondContact O-N 3.06Å; S445-S448 WeakPolarHBondContact OG-CB 3.28Å; S445-S448 PolarHBondContact OG-N 2.87Å
446	E	58.3	Low	68.8	Low	148 Å²	148	79.3 Å²	79.3	69%	0.692	42%	0.417	S	S	*	.	S	Bend	trans	-68.8	-22.2	179.6	-67.4	-177.6	171.8	0	0	114.2
447	H	53.1	Low	69	Low	172 Å²	172	80.7 Å²	80.7	80%	0.796	42%	0.422	S	S	*	.	S	Bend	trans	-126.3	1.4	-165.8	-63.4	-1.3	0	0	0	115.5	S445	S445-H447 VanDerWaalsContact C-N 3.3Å; S445-H447 PolarHBondContact O-N 3.06Å
448	S	49.2	Very low	69.3	Low	63 Å²	63	81 Å²	81	44%	0.441	42%	0.423	S	S	.	.	S	Bend	trans	-109.3	135.1	178	-160.3	0	0	0	0	110.9	S445 S450	S445-S448 WeakPolarHBondContact OG-CB 3.28Å; S445-S448 PolarHBondContact OG-N 2.87Å; S448-S450 PolarHBondContact O-N 3.34Å
449	P	52.8	Low	70	Confident	99 Å²	99	79.1 Å²	79.1	64%	0.643	41%	0.414	S	S	*	.			trans	-65.9	83.5	162.5	27.3	-28.3	0	0	0	108.4	I346	I346-P449 HydrophobicContact CD1-CB 4.21Å
450	S	50.3	Low	70.9	Confident	48 Å²	48	72.4 Å²	72.4	34%	0.336	39%	0.385	S	S	.	.			trans	31.9	108.7	155.2	40.2	0	0	0	0	118.5	S448	S448-S450 PolarHBondContact O-N 3.34Å
451	K	51.6	Low	71.7	Confident	217 Å²	217	68.6 Å²	68.6	94%	0.943	37%	0.367	S	S	*	.	S	Bend	trans	-92.6	106.9	133.1	-76.2	-175.4	175.3	-177.6	0	106.9
452	G	67.3	Low	72.7	Confident	62 Å²	62	68.3 Å²	68.3	64%	0.639	37%	0.366	S	S	*	.	S	Bend	trans	147.3	-121.1	175.7	0	0	0	0	0	115
453	F	79.4	Confident	73.7	Confident	5 Å²	5	61.9 Å²	61.9	2%	0.022	34%	0.336	C	S	.	.			trans	-92.3	130.2	-169.1	-179.6	-93.1	0	0	0	113.8	V338 Y341 K433 I434 S437 E440 I441 L444 L455	V338-F453 HydrophobicContact CG2-CE1 4.3Å; Y341-F453 AromaticContact CD2-CD1 3.77Å; Y341-F453 HydrophobicContact CD2-CD1 3.77Å; Y341-F453 AromaticContact CD2-CE1 3.99Å; Y341-F453 HydrophobicContact CD2-CE1 3.99Å; Y341-F453 HydrophobicContact CE2-CD1 4.02Å; Y341-F453 HydrophobicContact CE2-CE1 4.28Å; K433-F453 HydrophobicContact CG-CE2 4.2Å; I434-F453 HydrophobicContact CG1-CE2 4.48Å; I434-F453 HydrophobicContact CG1-CZ 3.74Å; S437-F453 VanDerWaalsContact CB-CD2 3.45Å; E440-F453 HydrophobicContact CB-CB 4.19Å; I441-F453 HydrophobicContact CD1-CD1 4.32Å; I441-F453 HydrophobicContact CD1-CE1 4.06Å; I441-F453 HydrophobicContact CD1-CE2 4.24Å; I441-F453 HydrophobicContact CD1-CZ 4.02Å; I441-F453 HydrophobicContact CG1-CB 4.41Å; I441-F453 HydrophobicContact CG1-CD1 3.77Å; I441-F453 HydrophobicContact CG1-CD2 4.21Å; I441-F453 HydrophobicContact CG1-CE1 4.01Å; I441-F453 HydrophobicContact CG1-CE2 4.42Å; I441-F453 HydrophobicContact CG1-CG 3.88Å; I441-F453 HydrophobicContact CG1-CZ 4.34Å; L444-F453 HydrophobicContact CD2-CB 4.36Å; F453-L455 HydrophobicContact CE1-CD1 4.02Å; F453-L455 HydrophobicContact CE1-CD2 4.15Å; F453-L455 HydrophobicContact CE1-CG 3.72Å; F453-L455 HydrophobicContact CE2-CD2 4.48Å; F453-L455 HydrophobicContact CZ-CD1 4.16Å; F453-L455 HydrophobicContact CZ-CD2 3.69Å; F453-L455 HydrophobicContact CZ-CG 3.8Å
454	Q	79.7	Confident	74.9	Confident	127 Å²	127	55.5 Å²	55.5	59%	0.593	30%	0.302	S	S	*	.			trans	-140.1	148	176.1	-172.1	168.1	-9.9	0	0	111.9	K433	K433-Q454 PolarHBondContact NZ-O 2.69Å; K433-Q454 VanDerWaalsContact NZ-O 3.12Å
455	L	83.7	Confident	76.2	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	30%	0.296	C	S	.	.			trans	-118.2	132.5	173	-65.6	176.4	0	0	0	110.5	V338 Y341 F342 T430 K433 I434 F453 E459 I460	V338-L455 HydrophobicContact CG2-CD1 3.82Å; Y341-L455 HydrophobicContact CE1-CB 4.29Å; Y341-L455 HydrophobicContact CE1-CD1 4.38Å; Y341-L455 PolarHBondContact OH-N 3.45Å; Y341-L455 VanDerWaalsContact OH-N 3.11Å; Y341-L455 PolarHBondContact OH-O 3.38Å; F342-L455 HydrophobicContact CZ-CD1 4.38Å; T430-L455 HydrophobicContact CG2-CD2 3.79Å; K433-L455 HydrophobicContact CD-CD2 4.39Å; I434-L455 HydrophobicContact CD1-CD1 4.32Å; F453-L455 HydrophobicContact CE1-CD1 4.02Å; F453-L455 HydrophobicContact CE1-CD2 4.15Å; F453-L455 HydrophobicContact CE1-CG 3.72Å; F453-L455 HydrophobicContact CE2-CD2 4.48Å; F453-L455 HydrophobicContact CZ-CD1 4.16Å; F453-L455 HydrophobicContact CZ-CD2 3.69Å; F453-L455 HydrophobicContact CZ-CG 3.8Å; L455-E459 VanDerWaalsContact CA-OE2 3.31Å; L455-E459 WeakPolarHBondContact CA-OE2 3.4Å; L455-E459 HydrophobicContact CD2-CB 4.35Å; L455-I460 HydrophobicContact CB-CD1 4.28Å; L455-I460 HydrophobicContact CB-CG1 3.9Å; L455-I460 HydrophobicContact CD1-CG1 4.46Å
456	S	84.9	Confident	77.8	Confident	29 Å²	29	51.5 Å²	51.5	20%	0.203	28%	0.276	C	S	.	.			trans	-72.3	164.4	172.4	88.7	0	0	0	0	111.4	Q458 E459 I460	S456-Q458 VanDerWaalsContact C-N 3.29Å; S456-Q458 PolarHBondContact O-N 3.42Å; S456-Q458 PolarHBondContact OG-N 3.33Å; S456-E459 PolarHBondContact N-OE2 3.39Å; S456-E459 PolarHBondContact O-N 2.97Å; S456-E459 PolarHBondContact OG-N 3.46Å; S456-E459 VanDerWaalsContact OG-N 3.13Å; S456-I460 VanDerWaalsContact O-CG1 3.25Å; S456-I460 WeakPolarHBondContact O-CG1 3.27Å; S456-I460 PolarHBondContact O-N 2.95Å
457	R	82.8	Confident	79.7	Confident	66 Å²	66	44.5 Å²	44.5	25%	0.249	24%	0.243	C	C	.	.	H	α-helix	trans	-56.5	-46.7	173.7	174.8	-177.4	-67.2	-92.1	-1.2	110.9	Y90 Y350 E459 I460 V461	Y90-R457 VanDerWaalsContact CE2-CZ 3.47Å; Y350-R457 PolarHBondContact O-NH1 3.29Å; Y350-R457 VanDerWaalsContact O-NH1 3.16Å; Y350-R457 PolarHBondContact O-NH2 3.46Å; R457-E459 VanDerWaalsContact C-N 3.35Å; R457-E459 PolarHBondContact O-N 3.44Å; R457-I460 PolarHBondContact O-N 3.3Å; R457-V461 HydrophobicContact CG-CG2 4.25Å; R457-V461 WeakPolarHBondContact O-CG2 3.36Å; R457-V461 PolarHBondContact O-N 3.45Å
458	Q	84.6	Confident	81.9	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-37.9	-177.5	-171.2	-168.6	49.2	0	0	111.6	Y94 K95 E191 S456 I460 V461 A462	Y94-Q458 HydrophobicContact CD2-CG 4.18Å; Y94-Q458 HydrophobicContact CE2-CG 3.53Å; K95-Q458 PolarHBondContact O-NE2 3.1Å; E191-Q458 HydrophobicContact CG-CB 4.35Å; E191-Q458 WeakPolarHBondContact OE1-CB 3.49Å; S456-Q458 VanDerWaalsContact C-N 3.29Å; S456-Q458 PolarHBondContact O-N 3.42Å; S456-Q458 PolarHBondContact OG-N 3.33Å; Q458-I460 VanDerWaalsContact C-N 3.35Å; Q458-I460 PolarHBondContact O-N 3.42Å; Q458-V461 PolarHBondContact O-N 3.35Å; Q458-A462 WeakPolarHBondContact O-CB 3.37Å; Q458-A462 PolarHBondContact O-N 3.46Å
459	E	90	Very high	84.2	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-43.5	171.9	-72.2	-177.9	121.6	0	0	111.6	T430 K433 L455 S456 R457 A462 L463	T430-E459 HydrophobicContact CG2-CB 3.97Å; K433-E459 WeakPolarHBondContact CD-OE1 3.38Å; K433-E459 IonicContact NZ-OE1 2.78Å; K433-E459 PolarHBondContact NZ-OE1 2.92Å; K433-E459 IonicContact NZ-OE2 2.61Å; K433-E459 PolarHBondContact NZ-OE2 2.61Å; K433-E459 VanDerWaalsContact NZ-OE2 3.12Å; L455-E459 VanDerWaalsContact CA-OE2 3.31Å; L455-E459 WeakPolarHBondContact CA-OE2 3.4Å; L455-E459 HydrophobicContact CD2-CB 4.35Å; S456-E459 PolarHBondContact N-OE2 3.39Å; S456-E459 PolarHBondContact O-N 2.97Å; S456-E459 PolarHBondContact OG-N 3.46Å; S456-E459 VanDerWaalsContact OG-N 3.13Å; R457-E459 VanDerWaalsContact C-N 3.35Å; R457-E459 PolarHBondContact O-N 3.44Å; E459-A462 PolarHBondContact O-N 2.91Å; E459-L463 WeakPolarHBondContact O-CB 3.45Å; E459-L463 PolarHBondContact O-N 3.35Å
460	I	90.9	Very high	86.4	Confident	6 Å²	6	31 Å²	31	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-46.1	178.1	-64	164.5	0	0	0	111	Y90 F91 F342 L455 S456 R457 Q458 M464	Y90-I460 HydrophobicContact CE1-CB 4.45Å; Y90-I460 HydrophobicContact CE1-CG2 3.84Å; F91-I460 HydrophobicContact CE1-CG2 3.97Å; F91-I460 HydrophobicContact CZ-CG2 4.38Å; F342-I460 HydrophobicContact CE1-CD1 4.01Å; F342-I460 HydrophobicContact CE1-CG1 4.06Å; F342-I460 HydrophobicContact CE1-CG2 3.87Å; F342-I460 HydrophobicContact CZ-CD1 4.37Å; F342-I460 HydrophobicContact CZ-CG1 3.95Å; F342-I460 HydrophobicContact CZ-CG2 4Å; L455-I460 HydrophobicContact CB-CD1 4.28Å; L455-I460 HydrophobicContact CB-CG1 3.9Å; L455-I460 HydrophobicContact CD1-CG1 4.46Å; S456-I460 VanDerWaalsContact O-CG1 3.25Å; S456-I460 WeakPolarHBondContact O-CG1 3.27Å; S456-I460 PolarHBondContact O-N 2.95Å; R457-I460 PolarHBondContact O-N 3.3Å; Q458-I460 VanDerWaalsContact C-N 3.35Å; Q458-I460 PolarHBondContact O-N 3.42Å; I460-M464 WeakPolarHBondContact O-CG 3.11Å; I460-M464 PolarHBondContact O-N 2.79Å; I460-M464 VanDerWaalsContact O-N 3.14Å
461	V	91.7	Very high	88.7	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-45.3	178.7	172.3	0	0	0	0	110.6	Y90 F91 Y94 R457 Q458 N465	Y90-V461 HydrophobicContact CD1-CG2 4.26Å; Y90-V461 HydrophobicContact CE1-CG2 4.04Å; Y90-V461 VanDerWaalsContact O-CG2 3.31Å; Y90-V461 WeakPolarHBondContact O-CG2 3.48Å; F91-V461 HydrophobicContact CD1-CG2 4.49Å; Y94-V461 HydrophobicContact CD2-CG1 3.98Å; R457-V461 HydrophobicContact CG-CG2 4.25Å; R457-V461 WeakPolarHBondContact O-CG2 3.36Å; R457-V461 PolarHBondContact O-N 3.45Å; Q458-V461 PolarHBondContact O-N 3.35Å; V461-N465 WeakPolarHBondContact CG1-ND2 3.35Å; V461-N465 VanDerWaalsContact O-CB 3.29Å; V461-N465 WeakPolarHBondContact O-CB 3.48Å; V461-N465 PolarHBondContact O-N 3.29Å; V461-N465 PolarHBondContact O-ND2 3.45Å
462	A	95.1	Very high	90.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-45.5	178.8	0	0	0	0	0	111.7	Y94 Q426 Q458 E459 N465 A466	Y94-A462 HydrophobicContact CE2-CB 4.25Å; Q426-A462 HydrophobicContact CB-CB 3.93Å; Q426-A462 HydrophobicContact CG-CB 3.84Å; Q458-A462 WeakPolarHBondContact O-CB 3.37Å; Q458-A462 PolarHBondContact O-N 3.46Å; E459-A462 PolarHBondContact O-N 2.91Å; A462-N465 PolarHBondContact O-N 3.21Å; A462-A466 WeakPolarHBondContact O-CB 2.87Å; A462-A466 PolarHBondContact O-N 3.32Å
463	L	96.6	Very high	92.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.8	-51.1	179.2	179.3	67.4	0	0	0	112.1	L335 T430 A431 I434 E459 F467	L335-L463 HydrophobicContact CD2-CD1 4.42Å; L335-L463 HydrophobicContact CD2-CD2 3.85Å; L335-L463 HydrophobicContact CD2-CG 3.92Å; T430-L463 HydrophobicContact CG2-CB 4.14Å; T430-L463 HydrophobicContact CG2-CD1 4.43Å; T430-L463 HydrophobicContact CG2-CD2 4.23Å; A431-L463 HydrophobicContact CB-CD1 3.87Å; I434-L463 HydrophobicContact CD1-CD1 4.34Å; I434-L463 HydrophobicContact CD1-CD2 3.49Å; I434-L463 VanDerWaalsContact CD1-CD2 3.49Å; E459-L463 WeakPolarHBondContact O-CB 3.45Å; E459-L463 PolarHBondContact O-N 3.35Å; L463-F467 PolarHBondContact O-N 3.24Å; L463-F467 VanDerWaalsContact O-N 3.13Å
464	M	97.3	Very high	93.2	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.025	8%	0.077	C	C	.	.	H	α-helix	trans	-70	-38	-177.8	-64.6	-51.1	-60.9	0	0	112.3	I82 L85 F91 L335 L364 I460 G468	I82-M464 HydrophobicContact CD1-CE 4.3Å; L85-M464 HydrophobicContact CD2-CB 4.47Å; L85-M464 HydrophobicContact CD2-CE 3.57Å; L85-M464 HydrophobicContact CD2-CG 4.4Å; F91-M464 HydrophobicContact CD1-CB 3.86Å; F91-M464 HydrophobicContact CD1-CG 4.21Å; F91-M464 HydrophobicContact CE1-CB 3.66Å; F91-M464 HydrophobicContact CE1-CG 3.48Å; F91-M464 VanDerWaalsContact CE1-CG 3.48Å; F91-M464 HydrophobicContact CZ-CG 4.09Å; L335-M464 HydrophobicContact CD2-CE 4.45Å; L335-M464 HydrophobicContact CD2-SD 3.52Å; L335-M464 VanDerWaalsContact CD2-SD 3.52Å; L364-M464 HydrophobicContact CD1-CE 3.69Å; L364-M464 HydrophobicContact CD1-CG 4.33Å; L364-M464 HydrophobicContact CD1-SD 3.95Å; I460-M464 WeakPolarHBondContact O-CG 3.11Å; I460-M464 PolarHBondContact O-N 2.79Å; I460-M464 VanDerWaalsContact O-N 3.14Å; M464-G468 PolarHBondContact O-N 3.4Å
465	N	97.8	Very high	94.1	Very high	6 Å²	6	13.5 Å²	13.5	3%	0.032	6%	0.063	C	C	.	.	H	α-helix	trans	-71.3	-38.9	177.5	-82.4	-76.6	0	0	0	112.3	F91 L423 V461 A462 G468 R469	F91-N465 PolarHBondContact O-ND2 3.24Å; L423-N465 HydrophobicContact CD1-CB 4.02Å; L423-N465 HydrophobicContact CD2-CB 3.63Å; L423-N465 HydrophobicContact CG-CB 4.33Å; V461-N465 WeakPolarHBondContact CG1-ND2 3.35Å; V461-N465 VanDerWaalsContact O-CB 3.29Å; V461-N465 WeakPolarHBondContact O-CB 3.48Å; V461-N465 PolarHBondContact O-N 3.29Å; V461-N465 PolarHBondContact O-ND2 3.45Å; A462-N465 PolarHBondContact O-N 3.21Å; N465-G468 PolarHBondContact O-N 3.47Å; N465-R469 WeakPolarHBondContact O-CG 3.07Å; N465-R469 PolarHBondContact O-N 2.56Å
466	A	97.8	Very high	94.7	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.017	7%	0.067	C	C	.	.	H	α-helix	trans	-59.3	-50.7	175.2	0	0	0	0	0	110.9	A462 G468 R469 L470	A462-A466 WeakPolarHBondContact O-CB 2.87Å; A462-A466 PolarHBondContact O-N 3.32Å; A466-G468 VanDerWaalsContact C-N 3.28Å; A466-G468 PolarHBondContact O-N 3.38Å; A466-R469 WeakPolarHBondContact O-CB 3.36Å; A466-R469 PolarHBondContact O-N 2.84Å; A466-L470 PolarHBondContact O-N 3.12Å
467	F	98.4	Very high	95.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.8	-37.2	176	-178.3	-113.4	0	0	0	111.9	I78 I82 Y328 E331 L332 L335 I371 L463 R469 L470 S471	I78-F467 HydrophobicContact CG2-CE1 3.7Å; I78-F467 HydrophobicContact CG2-CZ 4.1Å; I82-F467 HydrophobicContact CD1-CB 4.45Å; I82-F467 HydrophobicContact CD1-CD1 3.21Å; I82-F467 HydrophobicContact CD1-CE1 3.75Å; I82-F467 HydrophobicContact CD1-CG 4.21Å; Y328-F467 HydrophobicContact CD2-CD2 4.29Å; Y328-F467 AromaticContact CD2-CE2 3.57Å; Y328-F467 HydrophobicContact CD2-CE2 3.57Å; Y328-F467 HydrophobicContact CD2-CZ 4.2Å; Y328-F467 HydrophobicContact CE1-CE2 4.49Å; Y328-F467 HydrophobicContact CE2-CD2 4.31Å; Y328-F467 AromaticContact CE2-CE2 3.31Å; Y328-F467 HydrophobicContact CE2-CE2 3.31Å; Y328-F467 AromaticContact CE2-CZ 3.45Å; Y328-F467 HydrophobicContact CE2-CZ 3.45Å; Y328-F467 VanDerWaalsContact CE2-CZ 3.45Å; Y328-F467 HydrophobicContact CG-CE2 4.28Å; Y328-F467 AromaticContact CZ-CE2 3.82Å; Y328-F467 AromaticContact CZ-CZ 3.7Å; E331-F467 HydrophobicContact CB-CD2 3.81Å; E331-F467 WeakPolarHBondContact OE2-CA 3.38Å; E331-F467 WeakPolarHBondContact OE2-CB 3.12Å; E331-F467 PolarHBondContact OE2-N 3.16Å; E331-F467 VanDerWaalsContact OE2-N 3.09Å; L332-F467 HydrophobicContact CB-CE2 4.07Å; L332-F467 HydrophobicContact CB-CZ 4.45Å; L332-F467 HydrophobicContact CD1-CE1 4.47Å; L332-F467 HydrophobicContact CD1-CE2 4.09Å; L332-F467 HydrophobicContact CD1-CZ 3.61Å; L335-F467 HydrophobicContact CD1-CB 3.9Å; L335-F467 HydrophobicContact CD1-CD1 3.16Å; L335-F467 HydrophobicContact CD1-CD2 3.93Å; L335-F467 HydrophobicContact CD1-CE1 3.62Å; L335-F467 HydrophobicContact CD1-CE2 4.27Å; L335-F467 HydrophobicContact CD1-CG 3.38Å; L335-F467 HydrophobicContact CD1-CZ 4.17Å; I371-F467 HydrophobicContact CD1-CE1 4.4Å; L463-F467 PolarHBondContact O-N 3.24Å; L463-F467 VanDerWaalsContact O-N 3.13Å; F467-R469 VanDerWaalsContact C-N 3.3Å; F467-R469 PolarHBondContact O-N 2.76Å; F467-L470 PolarHBondContact O-N 2.74Å; F467-S471 WeakPolarHBondContact O-CB 3.41Å; F467-S471 PolarHBondContact O-N 3.42Å
468	G	98	Very high	95.7	Very high	4 Å²	4	13.1 Å²	13.1	4%	0.041	6%	0.06	C	C	.	.	H	α-helix	trans	-59.9	-35.2	173	0	0	0	0	0	113.8	M464 N465 A466 T472	M464-G468 PolarHBondContact O-N 3.4Å; N465-G468 PolarHBondContact O-N 3.47Å; A466-G468 VanDerWaalsContact C-N 3.28Å; A466-G468 PolarHBondContact O-N 3.38Å; G468-T472 WeakPolarHBondContact O-CB 3.42Å; G468-T472 PolarHBondContact O-N 2.64Å; G468-T472 PolarHBondContact O-OG1 3.12Å
469	R	98.2	Very high	96.2	Very high	44 Å²	44	14.2 Å²	14.2	17%	0.166	7%	0.066	C	C	.	.	H	α-helix	trans	-66.4	-46.7	172.1	-64.8	-55.9	85.5	167.6	2.9	110.9	E206 H281 W420 Q424 N465 A466 F467 S471 T472 S473	E206-R469 WeakPolarHBondContact OE2-CD 3.35Å; H281-R469 PolarHBondContact CE1-O 3.17Å; W420-R469 HydrophobicContact CE3-CG 4.02Å; W420-R469 HydrophobicContact CZ3-CG 3.8Å; Q424-R469 HydrophobicContact CG-CG 4.43Å; N465-R469 WeakPolarHBondContact O-CG 3.07Å; N465-R469 PolarHBondContact O-N 2.56Å; A466-R469 WeakPolarHBondContact O-CB 3.36Å; A466-R469 PolarHBondContact O-N 2.84Å; F467-R469 VanDerWaalsContact C-N 3.3Å; F467-R469 PolarHBondContact O-N 2.76Å; R469-S471 VanDerWaalsContact C-N 3.34Å; R469-S471 PolarHBondContact O-N 3.16Å; R469-T472 CarbonylContact O-C 3.55Å; R469-T472 WeakPolarHBondContact O-CA 3.2Å; R469-T472 WeakPolarHBondContact O-CB 3.39Å; R469-T472 PolarHBondContact O-N 3.07Å; R469-T472 VanDerWaalsContact O-N 3.08Å; R469-S473 PolarHBondContact O-N 3.41Å; R469-S473 PolarHBondContact O-OG 3.32Å
470	L	98.3	Very high	96.4	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.016	6%	0.064	C	C	.	.	H	α-helix	trans	-60.2	-44.1	177.1	-58.5	176.3	0	0	0	112.2	L324 L327 Y328 E331 A466 F467 T472 S473 I474	L324-L470 HydrophobicContact CD1-CD2 3.88Å; L327-L470 HydrophobicContact CD2-CD1 4.09Å; L327-L470 HydrophobicContact CD2-CD2 3.59Å; L327-L470 HydrophobicContact CD2-CG 4.48Å; L327-L470 HydrophobicContact CG-CD1 3.72Å; L327-L470 HydrophobicContact CG-CD2 4.05Å; Y328-L470 HydrophobicContact CD2-CB 4Å; E331-L470 HydrophobicContact CB-CD1 4.29Å; E331-L470 VanDerWaalsContact CD-CD1 3.43Å; E331-L470 HydrophobicContact CG-CD1 4.06Å; E331-L470 VanDerWaalsContact OE2-CD1 3.31Å; E331-L470 WeakPolarHBondContact OE2-CD1 3.46Å; A466-L470 PolarHBondContact O-N 3.12Å; F467-L470 PolarHBondContact O-N 2.74Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 2.95Å; L470-S473 WeakPolarHBondContact O-CB 3.37Å; L470-S473 PolarHBondContact O-N 3.32Å; L470-S473 VanDerWaalsContact O-N 3.16Å; L470-I474 PolarHBondContact O-N 3.15Å
471	S	98.3	Very high	96.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58	-41.4	174	-179.1	0	0	0	0	111.8	N74 Y79 F467 R469 Y475	N74-S471 PolarHBondContact ND2-O 3.26Å; N74-S471 VanDerWaalsContact OD1-CA 3.32Å; N74-S471 WeakPolarHBondContact OD1-CA 3.3Å; N74-S471 VanDerWaalsContact OD1-CB 3.24Å; N74-S471 WeakPolarHBondContact OD1-CB 3.03Å; N74-S471 PolarHBondContact OD1-OG 3.2Å; Y79-S471 WeakPolarHBondContact CA-OG 3.27Å; F467-S471 WeakPolarHBondContact O-CB 3.41Å; F467-S471 PolarHBondContact O-N 3.42Å; R469-S471 VanDerWaalsContact C-N 3.34Å; R469-S471 PolarHBondContact O-N 3.16Å; S471-Y475 PolarHBondContact O-N 3.24Å; S471-Y475 VanDerWaalsContact O-N 3.09Å
472	T	98.4	Very high	96.3	Very high	19 Å²	19	18.9 Å²	18.9	12%	0.117	9%	0.088	C	C	.	.	H	α-helix	trans	-66	-41.7	175	-57.2	0	0	0	0	111.8	Y79 G468 R469 L470 I474 Y475 Q476	Y79-T472 HydrophobicContact CE2-CG2 4.26Å; G468-T472 WeakPolarHBondContact O-CB 3.42Å; G468-T472 PolarHBondContact O-N 2.64Å; G468-T472 PolarHBondContact O-OG1 3.12Å; R469-T472 CarbonylContact O-C 3.55Å; R469-T472 WeakPolarHBondContact O-CA 3.2Å; R469-T472 WeakPolarHBondContact O-CB 3.39Å; R469-T472 PolarHBondContact O-N 3.07Å; R469-T472 VanDerWaalsContact O-N 3.08Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 2.95Å; T472-I474 PolarHBondContact O-N 3.02Å; T472-Y475 PolarHBondContact O-N 3.02Å; T472-Q476 HydrophobicContact CG2-CG 4.29Å; T472-Q476 VanDerWaalsContact O-CG 3.32Å; T472-Q476 WeakPolarHBondContact O-CG 3.37Å; T472-Q476 PolarHBondContact O-N 3.1Å
473	S	98.3	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-44.1	176.6	-64.6	0	0	0	0	112.4	S277 H281 R469 L470 Y475 Q476 L477	S277-S473 WeakPolarHBondContact CA-OG 3.39Å; S277-S473 PolarHBondContact O-OG 3.47Å; S277-S473 PolarHBondContact OG-OG 3.25Å; H281-S473 PolarHBondContact CE1-OG 3.32Å; H281-S473 PolarHBondContact ND1-OG 3.06Å; R469-S473 PolarHBondContact O-N 3.41Å; R469-S473 PolarHBondContact O-OG 3.32Å; L470-S473 WeakPolarHBondContact O-CB 3.37Å; L470-S473 PolarHBondContact O-N 3.32Å; L470-S473 VanDerWaalsContact O-N 3.16Å; S473-Y475 VanDerWaalsContact C-N 3.34Å; S473-Y475 PolarHBondContact O-N 2.76Å; S473-Q476 PolarHBondContact O-N 3Å; S473-L477 WeakPolarHBondContact O-CG 3.09Å; S473-L477 PolarHBondContact O-N 3.39Å
474	I	97.3	Very high	95.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-42.4	176.5	-67.5	176.2	0	0	0	110.9	I70 D71 N74 L324 Y325 Y328 L470 T472 Q476 L477 H478	I70-I474 HydrophobicContact CG2-CD1 4.14Å; D71-I474 VanDerWaalsContact OD1-CG2 3.31Å; D71-I474 WeakPolarHBondContact OD1-CG2 3.37Å; N74-I474 HydrophobicContact CB-CG2 4.05Å; N74-I474 WeakPolarHBondContact ND2-CG2 3.48Å; L324-I474 HydrophobicContact CD2-CG1 4.43Å; Y325-I474 HydrophobicContact CD1-CD1 4Å; Y325-I474 HydrophobicContact CD1-CG1 4.41Å; Y325-I474 HydrophobicContact CE1-CD1 3.96Å; Y325-I474 HydrophobicContact CE1-CG1 4.04Å; Y325-I474 HydrophobicContact CE1-CG2 4.17Å; Y328-I474 HydrophobicContact CD1-CD1 3.85Å; Y328-I474 HydrophobicContact CD2-CD1 3.44Å; Y328-I474 VanDerWaalsContact CD2-CD1 3.44Å; Y328-I474 HydrophobicContact CE1-CD1 4.26Å; Y328-I474 HydrophobicContact CE2-CD1 3.88Å; Y328-I474 HydrophobicContact CG-CD1 3.43Å; Y328-I474 VanDerWaalsContact CG-CD1 3.43Å; L470-I474 PolarHBondContact O-N 3.15Å; T472-I474 PolarHBondContact O-N 3.02Å; I474-Q476 VanDerWaalsContact C-N 3.34Å; I474-Q476 PolarHBondContact O-N 3.28Å; I474-L477 WeakPolarHBondContact O-CB 3.43Å; I474-L477 PolarHBondContact O-N 2.89Å; I474-H478 PolarHBondContact O-N 2.82Å
475	Y	97.6	Very high	95	Very high	73 Å²	73	28.4 Å²	28.4	29%	0.286	13%	0.131	S	C	.	.	H	α-helix	trans	-60.3	-43.2	173.9	177.2	-102.4	0	0	0	112.1	N75 Y79 S471 T472 S473 L477 H478 N479	N75-Y475 HydrophobicContact CB-CD2 4.34Å; N75-Y475 VanDerWaalsContact OD1-CA 3.29Å; N75-Y475 WeakPolarHBondContact OD1-CA 3.22Å; N75-Y475 PolarHBondContact OD1-N 3.42Å; Y79-Y475 HydrophobicContact CD1-CD1 4.26Å; Y79-Y475 AromaticContact CD1-CD2 3.7Å; Y79-Y475 HydrophobicContact CD1-CD2 3.7Å; Y79-Y475 HydrophobicContact CD1-CE2 4.1Å; Y79-Y475 AromaticContact CD1-CG 3.79Å; Y79-Y475 HydrophobicContact CD1-CG 3.79Å; Y79-Y475 HydrophobicContact CD2-CG 4.26Å; Y79-Y475 AromaticContact CE1-CD1 3.6Å; Y79-Y475 HydrophobicContact CE1-CD1 3.6Å; Y79-Y475 AromaticContact CE1-CD2 3.8Å; Y79-Y475 HydrophobicContact CE1-CD2 3.8Å; Y79-Y475 AromaticContact CE1-CE1 3.74Å; Y79-Y475 HydrophobicContact CE1-CE1 3.74Å; Y79-Y475 AromaticContact CE1-CE2 3.96Å; Y79-Y475 HydrophobicContact CE1-CE2 3.96Å; Y79-Y475 AromaticContact CE1-CG 3.62Å; Y79-Y475 HydrophobicContact CE1-CG 3.62Å; Y79-Y475 AromaticContact CE1-CZ 3.93Å; Y79-Y475 HydrophobicContact CE2-CD1 4.1Å; Y79-Y475 HydrophobicContact CE2-CG 4.12Å; Y79-Y475 HydrophobicContact CG-CD2 4.26Å; Y79-Y475 HydrophobicContact CG-CG 4.11Å; Y79-Y475 AromaticContact CZ-CD1 3.51Å; Y79-Y475 AromaticContact CZ-CE1 3.92Å; Y79-Y475 AromaticContact CZ-CG 3.8Å; S471-Y475 PolarHBondContact O-N 3.24Å; S471-Y475 VanDerWaalsContact O-N 3.09Å; T472-Y475 PolarHBondContact O-N 3.02Å; S473-Y475 VanDerWaalsContact C-N 3.34Å; S473-Y475 PolarHBondContact O-N 2.76Å; Y475-L477 VanDerWaalsContact C-N 3.35Å; Y475-L477 PolarHBondContact O-N 3.05Å; Y475-H478 WeakPolarHBondContact O-CB 3.43Å; Y475-H478 PolarHBondContact O-N 2.84Å; Y475-N479 WeakPolarHBondContact CE1-ND2 3.48Å; Y475-N479 PolarHBondContact O-N 3.39Å
476	Q	97.4	Very high	94	Very high	28 Å²	28	35.5 Å²	35.5	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-68.7	-31.4	177.5	-67.4	-62.1	-5.2	0	0	113	I280 A284 T472 S473 I474 H478 N479 F480	I280-Q476 HydrophobicContact CG2-CB 3.82Å; A284-Q476 HydrophobicContact CB-CB 4.1Å; A284-Q476 HydrophobicContact CB-CG 3.72Å; T472-Q476 HydrophobicContact CG2-CG 4.29Å; T472-Q476 VanDerWaalsContact O-CG 3.32Å; T472-Q476 WeakPolarHBondContact O-CG 3.37Å; T472-Q476 PolarHBondContact O-N 3.1Å; S473-Q476 PolarHBondContact O-N 3Å; I474-Q476 VanDerWaalsContact C-N 3.34Å; I474-Q476 PolarHBondContact O-N 3.28Å; Q476-H478 VanDerWaalsContact C-N 3.26Å; Q476-H478 PolarHBondContact O-N 2.86Å; Q476-N479 PolarHBondContact O-N 3.13Å; Q476-N479 VanDerWaalsContact O-N 3.16Å; Q476-N479 PolarHBondContact OE1-ND2 3.39Å; Q476-F480 WeakPolarHBondContact O-CD2 3.48Å; Q476-F480 PolarHBondContact O-N 3.43Å
477	L	95.1	Very high	92.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-39.8	171	-72.9	176.3	0	0	0	111.5	I280 F304 L321 L324 Y325 S473 I474 Y475 F480 R481	I280-L477 HydrophobicContact CD1-CD1 4.16Å; I280-L477 HydrophobicContact CD1-CD2 3.79Å; I280-L477 HydrophobicContact CD1-CG 3.93Å; I280-L477 HydrophobicContact CG1-CD2 4.22Å; F304-L477 HydrophobicContact CE2-CD2 3.68Å; F304-L477 HydrophobicContact CZ-CD2 3.71Å; L321-L477 HydrophobicContact CD1-CD2 4.35Å; L321-L477 HydrophobicContact CD2-CD1 4.03Å; L321-L477 HydrophobicContact CD2-CD2 3.7Å; L321-L477 HydrophobicContact CD2-CG 4.5Å; L324-L477 HydrophobicContact CD2-CD1 3.67Å; Y325-L477 HydrophobicContact CE2-CD1 4.08Å; S473-L477 WeakPolarHBondContact O-CG 3.09Å; S473-L477 PolarHBondContact O-N 3.39Å; I474-L477 WeakPolarHBondContact O-CB 3.43Å; I474-L477 PolarHBondContact O-N 2.89Å; Y475-L477 VanDerWaalsContact C-N 3.35Å; Y475-L477 PolarHBondContact O-N 3.05Å; L477-F480 PolarHBondContact O-N 3.47Å; L477-R481 VanDerWaalsContact O-CG 3.29Å; L477-R481 WeakPolarHBondContact O-CG 3.37Å; L477-R481 PolarHBondContact O-N 3.24Å
478	H	92.8	Very high	89.9	Confident	66 Å²	66	51.1 Å²	51.1	31%	0.306	23%	0.227	S	C	.	.	H	α-helix	trans	-61.9	-44.9	173.4	-177.3	77	0	0	0	111.6	I474 Y475 Q476 F480 R481 L482	I474-H478 PolarHBondContact O-N 2.82Å; Y475-H478 WeakPolarHBondContact O-CB 3.43Å; Y475-H478 PolarHBondContact O-N 2.84Å; Q476-H478 VanDerWaalsContact C-N 3.26Å; Q476-H478 PolarHBondContact O-N 2.86Å; H478-F480 PolarHBondContact O-N 3.34Å; H478-R481 WeakPolarHBondContact O-CB 3.36Å; H478-R481 PolarHBondContact O-N 3.11Å; H478-R481 VanDerWaalsContact O-N 3.17Å; H478-L482 PolarHBondContact O-N 3.17Å
479	N	94.3	Very high	89.5	Confident	30 Å²	30	53.5 Å²	53.5	16%	0.16	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-44.8	177.1	-65.1	-21.6	0	0	0	112.2	Y475 Q476 R481 L482 M483	Y475-N479 WeakPolarHBondContact CE1-ND2 3.48Å; Y475-N479 PolarHBondContact O-N 3.39Å; Q476-N479 PolarHBondContact O-N 3.13Å; Q476-N479 VanDerWaalsContact O-N 3.16Å; Q476-N479 PolarHBondContact OE1-ND2 3.39Å; N479-R481 VanDerWaalsContact C-N 3.31Å; N479-R481 PolarHBondContact O-N 3.2Å; N479-L482 PolarHBondContact O-N 3.4Å; N479-M483 HydrophobicContact CB-CE 4.33Å; N479-M483 WeakPolarHBondContact O-CG 3.27Å; N479-M483 PolarHBondContact O-N 3.45Å
480	F	94.6	Very high	89	Confident	0 Å²	0	54 Å²	54	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-38.1	175	-78.3	-60.7	0	0	0	112.2	C283 A284 P299 I301 F304 Q476 L477 H478 L482 M483 L484	C283-F480 HydrophobicContact CB-CE2 4.11Å; C283-F480 HydrophobicContact CB-CZ 3.78Å; A284-F480 HydrophobicContact CB-CE2 4.06Å; A284-F480 HydrophobicContact CB-CZ 4.24Å; P299-F480 HydrophobicContact CB-CE1 3.95Å; P299-F480 HydrophobicContact CB-CZ 4.23Å; I301-F480 HydrophobicContact CG1-CD1 4.41Å; I301-F480 HydrophobicContact CG1-CE1 4.49Å; F304-F480 HydrophobicContact CB-CD1 4.07Å; F304-F480 HydrophobicContact CB-CE1 3.89Å; F304-F480 HydrophobicContact CB-CG 4.49Å; F304-F480 HydrophobicContact CB-CZ 4.14Å; F304-F480 HydrophobicContact CD1-CB 4.22Å; F304-F480 HydrophobicContact CD1-CD1 4.27Å; F304-F480 HydrophobicContact CD1-CG 4.14Å; F304-F480 HydrophobicContact CD2-CB 4.47Å; F304-F480 HydrophobicContact CD2-CD1 4.26Å; F304-F480 AromaticContact CD2-CD2 3.52Å; F304-F480 HydrophobicContact CD2-CD2 3.52Å; F304-F480 HydrophobicContact CD2-CE1 4.4Å; F304-F480 AromaticContact CD2-CE2 3.69Å; F304-F480 HydrophobicContact CD2-CE2 3.69Å; F304-F480 AromaticContact CD2-CG 3.83Å; F304-F480 HydrophobicContact CD2-CG 3.83Å; F304-F480 HydrophobicContact CD2-CZ 4.14Å; F304-F480 HydrophobicContact CE1-CB 4.06Å; F304-F480 HydrophobicContact CE1-CG 4.37Å; F304-F480 HydrophobicContact CE2-CB 4.32Å; F304-F480 AromaticContact CE2-CD2 3.7Å; F304-F480 HydrophobicContact CE2-CD2 3.7Å; F304-F480 HydrophobicContact CE2-CE2 4.24Å; F304-F480 HydrophobicContact CE2-CG 4.08Å; F304-F480 HydrophobicContact CG-CB 4.42Å; F304-F480 AromaticContact CG-CD1 3.92Å; F304-F480 HydrophobicContact CG-CD1 3.92Å; F304-F480 HydrophobicContact CG-CD2 4.04Å; F304-F480 HydrophobicContact CG-CE1 4.15Å; F304-F480 HydrophobicContact CG-CE2 4.26Å; F304-F480 AromaticContact CG-CG 3.87Å; F304-F480 HydrophobicContact CG-CG 3.87Å; F304-F480 HydrophobicContact CG-CZ 4.32Å; F304-F480 HydrophobicContact CZ-CB 4.12Å; F304-F480 HydrophobicContact CZ-CD2 4.34Å; F304-F480 HydrophobicContact CZ-CG 4.34Å; Q476-F480 WeakPolarHBondContact O-CD2 3.48Å; Q476-F480 PolarHBondContact O-N 3.43Å; L477-F480 PolarHBondContact O-N 3.47Å; H478-F480 PolarHBondContact O-N 3.34Å; F480-L482 VanDerWaalsContact C-N 3.34Å; F480-L482 PolarHBondContact O-N 3.29Å; F480-M483 PolarHBondContact O-N 3.33Å; F480-L484 WeakPolarHBondContact O-CB 3.31Å; F480-L484 WeakPolarHBondContact O-CD1 3.48Å; F480-L484 WeakPolarHBondContact O-CG 3.41Å; F480-L484 PolarHBondContact O-N 3.48Å
481	R	89.1	Confident	88.5	Confident	43 Å²	43	56.8 Å²	56.8	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-43.1	173.7	-74.9	173.2	-170.9	169.5	13	112	L53 D71 Y325 L477 H478 N479 K485	L53-R481 HydrophobicContact CB-CG 3.8Å; L53-R481 HydrophobicContact CD1-CB 4.48Å; L53-R481 HydrophobicContact CD1-CG 3.59Å; L53-R481 HydrophobicContact CD2-CG 3.64Å; L53-R481 VanDerWaalsContact CD2-NE 3.27Å; L53-R481 HydrophobicContact CG-CG 3.83Å; D71-R481 IonicContact OD2-CZ 3.74Å; D71-R481 IonicContact OD2-NH1 3.66Å; D71-R481 PolarHBondContact OD2-NH1 2.7Å; D71-R481 IonicContact OD2-NH2 2.91Å; D71-R481 PolarHBondContact OD2-NH2 2.88Å; Y325-R481 PolarHBondContact OH-NH2 2.96Å; Y325-R481 VanDerWaalsContact OH-NH2 3.14Å; L477-R481 VanDerWaalsContact O-CG 3.29Å; L477-R481 WeakPolarHBondContact O-CG 3.37Å; L477-R481 PolarHBondContact O-N 3.24Å; H478-R481 WeakPolarHBondContact O-CB 3.36Å; H478-R481 PolarHBondContact O-N 3.11Å; H478-R481 VanDerWaalsContact O-N 3.17Å; N479-R481 VanDerWaalsContact C-N 3.31Å; N479-R481 PolarHBondContact O-N 3.2Å; R481-K485 WeakPolarHBondContact O-CG 3.37Å; R481-K485 PolarHBondContact O-N 3.27Å
482	L	90.9	Very high	87.9	Confident	74 Å²	74	60.2 Å²	60.2	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-49.3	177.8	-66.2	177.3	0	0	0	111	H478 N479 F480 L484 K485 E486	H478-L482 PolarHBondContact O-N 3.17Å; N479-L482 PolarHBondContact O-N 3.4Å; F480-L482 VanDerWaalsContact C-N 3.34Å; F480-L482 PolarHBondContact O-N 3.29Å; L482-L484 VanDerWaalsContact C-N 3.27Å; L482-L484 PolarHBondContact O-N 3.23Å; L482-K485 WeakPolarHBondContact O-CB 3.35Å; L482-K485 PolarHBondContact O-N 3.15Å; L482-E486 PolarHBondContact O-N 2.83Å
483	M	91.1	Very high	87.3	Confident	52 Å²	52	62.8 Å²	62.8	26%	0.256	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-32.4	-179.8	-65.2	171.6	-170.1	0	0	113.3	P299 I301 N479 F480 K487	P299-M483 HydrophobicContact CB-CE 4.1Å; P299-M483 HydrophobicContact CB-SD 3.9Å; P299-M483 HydrophobicContact CG-CE 3.64Å; P299-M483 HydrophobicContact CG-SD 3.82Å; I301-M483 HydrophobicContact CD1-CB 3.68Å; I301-M483 HydrophobicContact CD1-CG 4.48Å; I301-M483 HydrophobicContact CD1-SD 4.38Å; I301-M483 HydrophobicContact CG1-CB 4.33Å; I301-M483 HydrophobicContact CG1-SD 4.41Å; N479-M483 HydrophobicContact CB-CE 4.33Å; N479-M483 WeakPolarHBondContact O-CG 3.27Å; N479-M483 PolarHBondContact O-N 3.45Å; F480-M483 PolarHBondContact O-N 3.33Å; M483-K487 PolarHBondContact O-N 3.43Å
484	L	87.1	Confident	86.5	Confident	9 Å²	9	66.9 Å²	66.9	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-73	-27.7	175.3	-74.9	168	0	0	0	112.7	L53 I301 F304 R305 F480 L482	L53-L484 HydrophobicContact CD1-CD1 3.37Å; I301-L484 HydrophobicContact CG2-CD2 3.58Å; I301-L484 HydrophobicContact CG2-CG 4.28Å; F304-L484 HydrophobicContact CD1-CD1 4.37Å; F304-L484 HydrophobicContact CE1-CD1 4.2Å; R305-L484 HydrophobicContact CG-CD2 4.18Å; F480-L484 WeakPolarHBondContact O-CB 3.31Å; F480-L484 WeakPolarHBondContact O-CD1 3.48Å; F480-L484 WeakPolarHBondContact O-CG 3.41Å; F480-L484 PolarHBondContact O-N 3.48Å; L482-L484 VanDerWaalsContact C-N 3.27Å; L482-L484 PolarHBondContact O-N 3.23Å
485	K	83.9	Confident	85.8	Confident	143 Å²	143	71.7 Å²	71.7	62%	0.622	32%	0.316	S	S	*	.	H	α-helix	trans	-76.5	-38	173.6	-72.8	176.7	-178.1	-174.4	0	112.1	R481 L482 K487 R488	R481-K485 WeakPolarHBondContact O-CG 3.37Å; R481-K485 PolarHBondContact O-N 3.27Å; L482-K485 WeakPolarHBondContact O-CB 3.35Å; L482-K485 PolarHBondContact O-N 3.15Å; K485-K487 VanDerWaalsContact C-N 3.29Å; K485-K487 PolarHBondContact O-N 3.24Å; K485-R488 PolarHBondContact O-N 3.41Å
486	E	77.4	Confident	84.9	Confident	156 Å²	156	71.6 Å²	71.6	73%	0.729	32%	0.318	S	S	*	.	H	α-helix	trans	-70.6	-22.4	179.7	-71.4	174.3	179.4	0	0	113.9	L482	L482-E486 PolarHBondContact O-N 2.83Å
487	K	60	Low	83.8	Confident	148 Å²	148	75.3 Å²	75.3	64%	0.643	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-2	177.3	-76.7	-170	173.8	-169.3	0	114.3	I301 M483 K485	I301-K487 HydrophobicContact CD1-CD 3.87Å; M483-K487 PolarHBondContact O-N 3.43Å; K485-K487 VanDerWaalsContact C-N 3.29Å; K485-K487 PolarHBondContact O-N 3.24Å
488	R	49.4	Very low	82.8	Confident	182 Å²	182	82.1 Å²	82.1	69%	0.687	36%	0.364	S	S	*	.			trans	-92.5	0	166.9	-74.4	-178.8	175.8	173.4	-1.7	108.4	D49 K485	D49-R488 PolarHBondContact O-NH2 3.24Å; K485-R488 PolarHBondContact O-N 3.41Å

Retrieved 488 of 488 residues in 906.2 ms (Link to these results)

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