TY3H_ONCMY Loading...

Tyrosine 3-monooxygenase

Plays an important role in the physiology of adrenergic neurons.

AlphaFold DB , UniProt , Accession A0A060X6Z0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene th, Length 489 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	37.9	Very low	36.5	Very low	239 Å²	239	122.9 Å²	122.9	100%	1.177	77%	0.774	S	S	*	*				0	134.1	0	-70.1	-82	-160.4	0	0	107.5
2	P	42.1	Very low	36	Very low	101 Å²	101	130.2 Å²	130.2	66%	0.656	79%	0.786	S	S	*	*				-123.9	143.6	-57.5	6.6	17.3	0	0	0	111.8
3	I	38.5	Very low	35.7	Very low	149 Å²	149	128.8 Å²	128.8	76%	0.764	79%	0.786	S	S	*	*				105	117.5	104.4	-72.9	169.1	0	0	0	115.8
4	S	38.5	Very low	35.5	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	79%	0.791	S	S	*	*			trans	70.1	153.1	140.1	78.2	0	0	0	0	120.5
5	S	35.2	Very low	35.2	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	80%	0.8	S	S	*	*			cis	-176	157.7	-11.6	43	0	0	0	0	109.2
6	S	34.8	Very low	34.8	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	81%	0.809	S	S	*	*			trans	71.9	123.8	142.4	65.6	0	0	0	0	122.1
7	S	38	Very low	34.6	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	81%	0.813	S	S	*	*				139.3	109	117.4	69.8	0	0	0	0	112
8	S	32.4	Very low	34.5	Very low	112 Å²	112	141.9 Å²	141.9	78%	0.783	82%	0.816	S	S	*	*				64.9	127.4	111.4	73.3	0	0	0	0	114.3
9	S	36.4	Very low	34.6	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	81%	0.813	S	S	*	*				-178.4	157.8	52.6	66.5	0	0	0	0	111.6
10	S	31.3	Very low	34.5	Very low	100 Å²	100	142.2 Å²	142.2	70%	0.699	82%	0.815	S	S	*	*			trans	54	116.5	140	-167.4	0	0	0	0	118.8
11	T	36.1	Very low	34.5	Very low	134 Å²	134	144 Å²	144	82%	0.822	82%	0.821	S	S	*	*				-164.5	137.4	73.9	21.8	0	0	0	0	113.2
12	K	31.3	Very low	34.3	Very low	210 Å²	210	141.2 Å²	141.2	91%	0.913	81%	0.805	S	S	*	*			trans	-71.6	140.6	167.7	-71.1	166.4	171.3	172.8	0	111.3
13	S	31.3	Very low	33.7	Very low	112 Å²	112	147.8 Å²	147.8	78%	0.783	82%	0.817	S	S	*	*				-175.6	150.9	129.7	-162.4	0	0	0	0	111.7
14	M	33.4	Very low	33.6	Very low	176 Å²	176	146.7 Å²	146.7	87%	0.867	82%	0.822	S	S	*	*			trans	83.5	58.6	171.2	-58.4	-164.3	-74.4	0	0	118.7
15	R	30.7	Very low	33.4	Very low	245 Å²	245	148.3 Å²	148.3	93%	0.925	82%	0.823	S	S	*	*			trans	-120.2	101.4	142.4	-87.2	-174.2	179.9	174.2	0.3	108.3
16	R	28.8	Very low	33.2	Very low	248 Å²	248	148.2 Å²	148.2	94%	0.936	82%	0.822	S	S	*	*			trans	169.5	95.6	156.5	-102.9	176.8	178	-171.3	-1.8	110
17	A	32.2	Very low	33.2	Very low	106 Å²	106	150.1 Å²	150.1	88%	0.876	83%	0.829	S	S	*	*			trans	-171.3	65.3	158.5	0	0	0	0	0	109.8
18	A	32.7	Very low	33.1	Very low	106 Å²	106	149.6 Å²	149.6	88%	0.876	82%	0.822	S	S	*	*	S	Bend	trans	-155.9	13	171.2	0	0	0	0	0	114.8
19	S	35.4	Very low	33.1	Very low	109 Å²	109	147 Å²	147	76%	0.762	80%	0.803	S	S	*	*	S	Bend	trans	-122.7	20.4	-173.9	71.2	0	0	0	0	115.2
20	E	32.4	Very low	33.2	Very low	179 Å²	179	147 Å²	147	84%	0.836	80%	0.801	S	S	*	*			trans	-142.2	61.4	-178.6	-69.7	-176.4	169.8	0	0	111
21	L	34.2	Very low	33.4	Very low	181 Å²	181	153.4 Å²	153.4	95%	0.948	81%	0.81	S	S	*	*			trans	-142.3	36.4	163.8	-121.1	111.5	0	0	0	111.7
22	E	33.6	Very low	33.4	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	80%	0.795	S	S	*	*	S	Bend	trans	-125	101.6	161.8	-74.7	-171.5	166.1	0	0	106.7
23	R	31.3	Very low	33.6	Very low	239 Å²	239	147.7 Å²	147.7	90%	0.902	78%	0.778	S	S	*	*			trans	127.8	89.6	171.7	-75.4	166.6	173.6	176.5	0.3	112.2
24	S	35	Very low	33.7	Very low	125 Å²	125	145 Å²	145	87%	0.874	77%	0.767	S	S	*	*			trans	-145.2	89.7	143.3	52.1	0	0	0	0	109.1
25	D	35	Very low	33.7	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	76%	0.755	S	S	*	*			trans	-50.1	137.7	165.7	-73.5	-50.6	0	0	0	112.2	V27	D25-V27 PolarHBondContact O-N 3.25Å
26	S	31.4	Very low	33.9	Very low	95 Å²	95	141.5 Å²	141.5	66%	0.664	75%	0.745	S	S	*	*			trans	26.4	90.6	142.6	64.3	0	0	0	0	117.9	T28	S26-T28 PolarHBondContact O-N 2.95Å
27	V	34.8	Very low	34.1	Very low	144 Å²	144	135.4 Å²	135.4	87%	0.873	73%	0.727	S	S	*	*			trans	-90	78.4	153.9	-175.6	0	0	0	0	108.4	D25 S29	D25-V27 PolarHBondContact O-N 3.25Å; V27-S29 PolarHBondContact O-N 3.18Å
28	T	36.2	Very low	34.8	Very low	95 Å²	95	132.2 Å²	132.2	58%	0.583	70%	0.698	S	S	*	*			trans	-77.6	90.8	162.9	42.5	0	0	0	0	108.8	S26	S26-T28 PolarHBondContact O-N 2.95Å
29	S	31.5	Very low	35.3	Very low	56 Å²	56	132.2 Å²	132.2	39%	0.392	68%	0.683	S	S	.	*			trans	-62.7	128.3	160.9	171.3	0	0	0	0	109	V27 R31 F32	V27-S29 PolarHBondContact O-N 3.18Å; S29-R31 PolarHBondContact O-N 2.95Å; S29-F32 PolarHBondContact O-N 3.34Å
30	P	38.8	Very low	36	Very low	110 Å²	110	132.9 Å²	132.9	71%	0.714	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-11.3	-176.4	-18.5	29.5	0	0	0	113.8
31	R	35.6	Very low	37.1	Very low	233 Å²	233	129 Å²	129	88%	0.879	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-8	-179.1	-84.4	-176.3	167.9	175.6	-3.2	115	S29	S29-R31 PolarHBondContact O-N 2.95Å
32	F	35.4	Very low	38.4	Very low	116 Å²	116	123.8 Å²	123.8	51%	0.509	63%	0.632	S	S	.	*	S	Bend	trans	-113.3	2.5	-176.2	-89.3	-91.4	0	0	0	115.1	S29 G34 R35 R36	S29-F32 PolarHBondContact O-N 3.34Å; F32-G34 PolarHBondContact O-N 3.24Å; F32-R35 HydrophobicContact CD1-CB 3.87Å; F32-R35 HydrophobicContact CD1-CG 4.47Å; F32-R35 PolarHBondContact O-N 3.12Å; F32-R36 PolarHBondContact O-N 3.37Å
33	I	36	Very low	39.5	Very low	108 Å²	108	116.7 Å²	116.7	55%	0.554	60%	0.604	S	S	*	*	H	α-helix	trans	-61	-30.9	-177.9	-61.5	173.7	0	0	0	111	R35	I33-R35 PolarHBondContact O-N 3.16Å
34	G	32.5	Very low	41.2	Very low	55 Å²	55	112.7 Å²	112.7	57%	0.567	59%	0.588	S	S	*	*	H	α-helix	trans	-74.4	-18.3	173.2	0	0	0	0	0	115.7	F32 S38	F32-G34 PolarHBondContact O-N 3.24Å; G34-S38 PolarHBondContact O-N 2.84Å
35	R	33.5	Very low	42.9	Very low	163 Å²	163	112.2 Å²	112.2	62%	0.615	57%	0.571	S	S	*	*	H	α-helix	trans	-91.4	-28.8	-177.6	-124.3	179.8	-173.3	-180	0.3	113.2	F32 I33 S38 L39	F32-R35 HydrophobicContact CD1-CB 3.87Å; F32-R35 HydrophobicContact CD1-CG 4.47Å; F32-R35 PolarHBondContact O-N 3.12Å; I33-R35 PolarHBondContact O-N 3.16Å; R35-S38 PolarHBondContact O-N 3.39Å; R35-S38 PolarHBondContact O-OG 2.95Å; R35-L39 PolarHBondContact O-N 3.2Å; R35-L39 VanDerWaalsContact O-N 3.11Å
36	R	34.8	Very low	44.4	Very low	186 Å²	186	109.6 Å²	109.6	70%	0.702	55%	0.554	S	S	*	*	H	α-helix	trans	-70	-37.1	169.7	-102.5	-174.1	173.7	-178	-2.3	111.7	F32 S38 L39 I40	F32-R36 PolarHBondContact O-N 3.37Å; R36-S38 VanDerWaalsContact C-N 3.29Å; R36-L39 PolarHBondContact O-N 3.24Å; R36-I40 WeakPolarHBondContact O-CG1 3.39Å; R36-I40 PolarHBondContact O-N 3.27Å
37	Q	33.9	Very low	46.2	Very low	119 Å²	119	109.2 Å²	109.2	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-59.3	-42.5	167.3	-90.9	170.8	-27.1	0	0	110.8	L39 I40 E41	Q37-L39 PolarHBondContact O-N 3.49Å; Q37-I40 PolarHBondContact O-N 3.12Å; Q37-E41 WeakPolarHBondContact O-CB 3.45Å; Q37-E41 VanDerWaalsContact O-CG 3.24Å; Q37-E41 WeakPolarHBondContact O-CG 3.38Å; Q37-E41 PolarHBondContact O-N 2.99Å
38	S	47	Very low	48	Very low	39 Å²	39	106.7 Å²	106.7	27%	0.273	52%	0.517	S	S	.	.	H	α-helix	trans	-62.8	-43.6	178.6	114.3	0	0	0	0	113.4	G34 R35 R36 E41 D42	G34-S38 PolarHBondContact O-N 2.84Å; R35-S38 PolarHBondContact O-N 3.39Å; R35-S38 PolarHBondContact O-OG 2.95Å; R36-S38 VanDerWaalsContact C-N 3.29Å; S38-E41 CarbonylContact O-C 3.49Å; S38-E41 PolarHBondContact O-N 3.2Å; S38-D42 WeakPolarHBondContact O-CA 3.49Å; S38-D42 WeakPolarHBondContact O-CB 3.35Å; S38-D42 PolarHBondContact O-N 3.18Å; S38-D42 VanDerWaalsContact O-OD2 3.05Å; S38-D42 PolarHBondContact OG-OD2 3.47Å
39	L	43.8	Very low	49.7	Very low	106 Å²	106	104.2 Å²	104.2	56%	0.555	51%	0.506	S	S	*	.	H	α-helix	trans	-67.4	-39.1	-179.4	-73.9	172.4	0	0	0	113	R35 R36 Q37 D42 A43	R35-L39 PolarHBondContact O-N 3.2Å; R35-L39 VanDerWaalsContact O-N 3.11Å; R36-L39 PolarHBondContact O-N 3.24Å; Q37-L39 PolarHBondContact O-N 3.49Å; L39-D42 PolarHBondContact O-N 3.47Å; L39-A43 VanDerWaalsContact O-CB 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.45Å; L39-A43 PolarHBondContact O-N 3.37Å
40	I	49.9	Very low	51.4	Low	124 Å²	124	101.6 Å²	101.6	64%	0.636	49%	0.487	S	S	*	.	H	α-helix	trans	-68.2	-42.7	175.2	-65.6	170.1	0	0	0	109.8	R36 Q37 A43 R44	R36-I40 WeakPolarHBondContact O-CG1 3.39Å; R36-I40 PolarHBondContact O-N 3.27Å; Q37-I40 PolarHBondContact O-N 3.12Å; I40-A43 PolarHBondContact O-N 3.33Å; I40-R44 VanDerWaalsContact O-CB 3.27Å; I40-R44 WeakPolarHBondContact O-CB 3.28Å; I40-R44 PolarHBondContact O-N 3.15Å
41	E	54.8	Low	52.9	Low	98 Å²	98	98 Å²	98	46%	0.458	47%	0.467	S	S	.	.	H	α-helix	trans	-65.8	-36.5	174.6	-77.4	-177.2	177.1	0	0	112.6	Q37 S38 R44 K45	Q37-E41 WeakPolarHBondContact O-CB 3.45Å; Q37-E41 VanDerWaalsContact O-CG 3.24Å; Q37-E41 WeakPolarHBondContact O-CG 3.38Å; Q37-E41 PolarHBondContact O-N 2.99Å; S38-E41 CarbonylContact O-C 3.49Å; S38-E41 PolarHBondContact O-N 3.2Å; E41-R44 PolarHBondContact O-N 2.99Å; E41-K45 VanDerWaalsContact O-CB 3.26Å; E41-K45 WeakPolarHBondContact O-CB 3.48Å; E41-K45 VanDerWaalsContact O-CG 3.23Å; E41-K45 WeakPolarHBondContact O-CG 3.47Å; E41-K45 PolarHBondContact O-N 3.4Å
42	D	60.5	Low	54.6	Low	71 Å²	71	89.5 Å²	89.5	38%	0.38	45%	0.447	S	S	.	.	H	α-helix	trans	-68.6	-44.6	177.6	-70.6	-26	0	0	0	109.5	S38 L39 R44 K45 E46	S38-D42 WeakPolarHBondContact O-CA 3.49Å; S38-D42 WeakPolarHBondContact O-CB 3.35Å; S38-D42 PolarHBondContact O-N 3.18Å; S38-D42 VanDerWaalsContact O-OD2 3.05Å; S38-D42 PolarHBondContact OG-OD2 3.47Å; L39-D42 PolarHBondContact O-N 3.47Å; D42-R44 VanDerWaalsContact C-N 3.34Å; D42-K45 PolarHBondContact O-N 3.18Å; D42-E46 WeakPolarHBondContact O-CB 3.46Å; D42-E46 WeakPolarHBondContact O-CG 3.38Å; D42-E46 PolarHBondContact O-N 2.97Å
43	A	58.1	Low	56.2	Low	31 Å²	31	86 Å²	86	26%	0.256	44%	0.439	S	S	.	.	H	α-helix	trans	-63.1	-39.8	172.7	0	0	0	0	0	111.8	L39 I40 E46 R47 T97	L39-A43 VanDerWaalsContact O-CB 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.45Å; L39-A43 PolarHBondContact O-N 3.37Å; I40-A43 PolarHBondContact O-N 3.33Å; A43-E46 PolarHBondContact O-N 3.45Å; A43-R47 WeakPolarHBondContact O-CB 3.47Å; A43-R47 WeakPolarHBondContact O-CG 3.42Å; A43-R47 PolarHBondContact O-N 3.35Å; A43-T97 HydrophobicContact CB-CG2 4.39Å
44	R	66.7	Low	57.6	Low	155 Å²	155	82 Å²	82	59%	0.585	42%	0.422	S	S	*	.	H	α-helix	trans	-66.7	-43.5	175.9	-158.7	-174	102.5	179.4	7.5	111.4	I40 E41 D42 E46 R47 E48	I40-R44 VanDerWaalsContact O-CB 3.27Å; I40-R44 WeakPolarHBondContact O-CB 3.28Å; I40-R44 PolarHBondContact O-N 3.15Å; E41-R44 PolarHBondContact O-N 2.99Å; D42-R44 VanDerWaalsContact C-N 3.34Å; R44-E46 VanDerWaalsContact C-N 3.34Å; R44-R47 PolarHBondContact O-N 3.47Å; R44-E48 IonicContact CZ-OE1 2.69Å; R44-E48 VanDerWaalsContact CZ-OE1 3.26Å; R44-E48 IonicContact NE-OE1 2.66Å; R44-E48 PolarHBondContact NE-OE1 2.92Å; R44-E48 IonicContact NH2-OE1 2.79Å; R44-E48 PolarHBondContact NH2-OE1 3.46Å; R44-E48 WeakPolarHBondContact O-CB 3.41Å; R44-E48 VanDerWaalsContact O-CG 3.25Å; R44-E48 WeakPolarHBondContact O-CG 3.47Å; R44-E48 PolarHBondContact O-N 3.33Å
45	K	69.6	Low	59.1	Low	116 Å²	116	86.7 Å²	86.7	50%	0.504	43%	0.43	S	S	.	.	H	α-helix	trans	-63.5	-38.8	173.9	-80	173.1	-176.8	166.7	0	111.7	E41 D42 A49	E41-K45 VanDerWaalsContact O-CB 3.26Å; E41-K45 WeakPolarHBondContact O-CB 3.48Å; E41-K45 VanDerWaalsContact O-CG 3.23Å; E41-K45 WeakPolarHBondContact O-CG 3.47Å; E41-K45 PolarHBondContact O-N 3.4Å; D42-K45 PolarHBondContact O-N 3.18Å; K45-A49 WeakPolarHBondContact O-CB 3.42Å; K45-A49 PolarHBondContact O-N 3.38Å
46	E	67.7	Low	60.3	Low	82 Å²	82	83.1 Å²	83.1	38%	0.383	44%	0.435	S	S	.	.	H	α-helix	trans	-65.8	-44.6	174.9	-81.7	-174	168	0	0	111.3	D42 A43 R44 A49 A50	D42-E46 WeakPolarHBondContact O-CB 3.46Å; D42-E46 WeakPolarHBondContact O-CG 3.38Å; D42-E46 PolarHBondContact O-N 2.97Å; A43-E46 PolarHBondContact O-N 3.45Å; R44-E46 VanDerWaalsContact C-N 3.34Å; E46-A49 PolarHBondContact O-N 2.97Å; E46-A50 WeakPolarHBondContact O-CB 3.41Å; E46-A50 PolarHBondContact O-N 3.42Å
47	R	68	Low	61.4	Low	86 Å²	86	77.2 Å²	77.2	33%	0.325	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-46	173.2	-78.9	-173	175.8	-150.2	-0.6	112	A43 R44 A50 A51 T97 F98 D132	A43-R47 WeakPolarHBondContact O-CB 3.47Å; A43-R47 WeakPolarHBondContact O-CG 3.42Å; A43-R47 PolarHBondContact O-N 3.35Å; R44-R47 PolarHBondContact O-N 3.47Å; R47-A50 PolarHBondContact O-N 3.45Å; R47-A51 WeakPolarHBondContact O-CB 3.44Å; R47-A51 PolarHBondContact O-N 2.79Å; R47-T97 HydrophobicContact CG-CG2 4.37Å; R47-T97 PolarHBondContact NE-O 3.01Å; R47-T97 PolarHBondContact NH2-O 3.24Å; R47-F98 HydrophobicContact CG-CE1 3.93Å; R47-F98 HydrophobicContact CG-CZ 4.16Å; R47-D132 IonicContact CZ-OD2 2.61Å; R47-D132 IonicContact NH1-OD2 2.82Å; R47-D132 IonicContact NH2-OD2 3.81Å; R47-D132 PolarHBondContact NH2-OD2 2.83Å
48	E	72.8	Confident	61.7	Low	92 Å²	92	80.1 Å²	80.1	43%	0.43	44%	0.439	S	S	.	.	H	α-helix	trans	-61.4	-45.5	176.4	-76.5	171.3	-175.3	0	0	111.3	R44 A50 A51 A52	R44-E48 IonicContact CZ-OE1 2.69Å; R44-E48 VanDerWaalsContact CZ-OE1 3.26Å; R44-E48 IonicContact NE-OE1 2.66Å; R44-E48 PolarHBondContact NE-OE1 2.92Å; R44-E48 IonicContact NH2-OE1 2.79Å; R44-E48 PolarHBondContact NH2-OE1 3.46Å; R44-E48 WeakPolarHBondContact O-CB 3.41Å; R44-E48 VanDerWaalsContact O-CG 3.25Å; R44-E48 WeakPolarHBondContact O-CG 3.47Å; R44-E48 PolarHBondContact O-N 3.33Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.06Å; E48-A51 PolarHBondContact O-N 3.1Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 3.38Å
49	A	72.8	Confident	61.4	Low	43 Å²	43	82.5 Å²	82.5	36%	0.355	46%	0.461	S	S	.	.	H	α-helix	trans	-65.6	-36.8	177	0	0	0	0	0	112.1	K45 E46 A53	K45-A49 WeakPolarHBondContact O-CB 3.42Å; K45-A49 PolarHBondContact O-N 3.38Å; E46-A49 PolarHBondContact O-N 2.97Å; A49-A53 VanDerWaalsContact O-CB 3.31Å; A49-A53 WeakPolarHBondContact O-CB 3.49Å; A49-A53 PolarHBondContact O-N 2.84Å
50	A	68	Low	61.6	Low	0 Å²	0	84.3 Å²	84.3	0%	0	48%	0.477	C	S	.	.	H	α-helix	trans	-72.5	-34.2	175.9	0	0	0	0	0	112.5	E46 R47 E48 A53 A54 T135 S138 S139	E46-A50 WeakPolarHBondContact O-CB 3.41Å; E46-A50 PolarHBondContact O-N 3.42Å; R47-A50 PolarHBondContact O-N 3.45Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.06Å; A50-A53 PolarHBondContact O-N 3.4Å; A50-A54 WeakPolarHBondContact O-CB 3.32Å; A50-A54 PolarHBondContact O-N 3.42Å; A50-T135 HydrophobicContact CB-CG2 3.41Å; A50-T135 VanDerWaalsContact CB-CG2 3.41Å; A50-S138 WeakPolarHBondContact O-CB 3.17Å; A50-S139 WeakPolarHBondContact CB-OG 3.45Å
51	A	69.1	Low	61.8	Low	34 Å²	34	84.3 Å²	84.3	28%	0.281	47%	0.474	S	S	.	.	H	α-helix	trans	-66.6	-46.9	173.2	0	0	0	0	0	110.7	R47 E48 A53 A54 E55	R47-A51 WeakPolarHBondContact O-CB 3.44Å; R47-A51 PolarHBondContact O-N 2.79Å; E48-A51 PolarHBondContact O-N 3.1Å; A51-A53 VanDerWaalsContact C-N 3.3Å; A51-A53 PolarHBondContact O-N 2.97Å; A51-A54 WeakPolarHBondContact O-CB 3.41Å; A51-A54 PolarHBondContact O-N 2.98Å; A51-A54 VanDerWaalsContact O-N 3.08Å; A51-E55 PolarHBondContact O-N 3.35Å
52	A	72.4	Confident	62.3	Low	55 Å²	55	88.1 Å²	88.1	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-60.5	-39.2	174.2	0	0	0	0	0	112.3	E48 A56	E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 3.38Å; A52-A56 WeakPolarHBondContact O-CB 3.48Å; A52-A56 PolarHBondContact O-N 3.4Å
53	A	69.1	Low	63.1	Low	42 Å²	42	87.8 Å²	87.8	35%	0.347	49%	0.49	S	S	.	.	H	α-helix	trans	-68.4	-34	174.4	0	0	0	0	0	112.7	A49 A50 A51 A57	A49-A53 VanDerWaalsContact O-CB 3.31Å; A49-A53 WeakPolarHBondContact O-CB 3.49Å; A49-A53 PolarHBondContact O-N 2.84Å; A50-A53 PolarHBondContact O-N 3.4Å; A51-A53 VanDerWaalsContact C-N 3.3Å; A51-A53 PolarHBondContact O-N 2.97Å; A53-A57 WeakPolarHBondContact O-CB 3.39Å; A53-A57 PolarHBondContact O-N 3.01Å
54	A	64.2	Low	64	Low	25 Å²	25	87.8 Å²	87.8	21%	0.207	49%	0.486	C	S	.	.	H	α-helix	trans	-68.8	-42.1	175.5	0	0	0	0	0	111.7	A50 A51 A57 S138	A50-A54 WeakPolarHBondContact O-CB 3.32Å; A50-A54 PolarHBondContact O-N 3.42Å; A51-A54 WeakPolarHBondContact O-CB 3.41Å; A51-A54 PolarHBondContact O-N 2.98Å; A51-A54 VanDerWaalsContact O-N 3.08Å; A54-A57 PolarHBondContact O-N 3.22Å; A54-S138 WeakPolarHBondContact CB-OG 3.33Å
55	E	64.4	Low	64.6	Low	154 Å²	154	83.3 Å²	83.3	72%	0.72	47%	0.471	S	S	*	.	H	α-helix	trans	-65	-38.6	175.1	-73	179.8	174.2	0	0	112.1	A51 A57	A51-E55 PolarHBondContact O-N 3.35Å; E55-A57 PolarHBondContact O-N 2.96Å
56	A	59	Low	65	Low	87 Å²	87	81.5 Å²	81.5	72%	0.719	47%	0.465	S	S	*	.	H	α-helix	trans	-72.3	-15.6	178.2	0	0	0	0	0	114	A52 E58	A52-A56 WeakPolarHBondContact O-CB 3.48Å; A52-A56 PolarHBondContact O-N 3.4Å; A56-E58 VanDerWaalsContact C-N 3.28Å; A56-E58 PolarHBondContact O-N 3.43Å
57	A	56.9	Low	65.6	Low	63 Å²	63	83.9 Å²	83.9	52%	0.521	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	20.3	-175.7	0	0	0	0	0	113.9	A53 A54 E55 A59	A53-A57 WeakPolarHBondContact O-CB 3.39Å; A53-A57 PolarHBondContact O-N 3.01Å; A54-A57 PolarHBondContact O-N 3.22Å; E55-A57 PolarHBondContact O-N 2.96Å; A57-A59 PolarHBondContact O-N 3.09Å; A57-A59 VanDerWaalsContact O-N 3.12Å
58	E	41.5	Very low	66.1	Low	179 Å²	179	87 Å²	87	84%	0.836	49%	0.494	S	S	*	.			trans	-53.3	119.1	172.4	-80	-171.5	160.7	0	0	110.8	A56	A56-E58 VanDerWaalsContact C-N 3.28Å; A56-E58 PolarHBondContact O-N 3.43Å
59	A	40.4	Very low	66.4	Low	89 Å²	89	90.1 Å²	90.1	74%	0.736	51%	0.514	S	S	*	.	S	Bend	trans	82.2	87.7	179.2	0	0	0	0	0	116.9	A57	A57-A59 PolarHBondContact O-N 3.09Å; A57-A59 VanDerWaalsContact O-N 3.12Å
60	T	47.2	Very low	66.9	Low	144 Å²	144	89.6 Å²	89.6	88%	0.883	51%	0.512	S	S	*	.	S	Bend		175.5	-9.6	116	25.3	0	0	0	0	117
61	E	55.2	Low	67.9	Low	124 Å²	124	93.9 Å²	93.9	58%	0.579	53%	0.531	S	S	*	.			trans	-115.4	111.6	-179.7	-72.6	-179.1	160.9	0	0	112.2	I63 K141	E61-I63 PolarHBondContact O-N 3.32Å; E61-I63 VanDerWaalsContact O-N 3.16Å; E61-K141 WeakPolarHBondContact OE2-CE 3.4Å; E61-K141 IonicContact OE2-NZ 2.61Å; E61-K141 PolarHBondContact OE2-NZ 3.42Å
62	Q	64.5	Low	68.9	Low	178 Å²	178	92.3 Å²	92.3	83%	0.832	52%	0.518	S	S	*	.			trans	-64.4	114	172.4	-78	179.7	-12.2	0	0	109.3	V64	Q62-V64 HydrophobicContact CB-CG2 4.46Å
63	I	76.7	Confident	69.6	Low	65 Å²	65	91.1 Å²	91.1	33%	0.333	50%	0.504	S	S	.	.			trans	-74.8	127.5	168.8	-64.1	172.5	0	0	0	107.8	E61 F65 V133 I137 T149	E61-I63 PolarHBondContact O-N 3.32Å; E61-I63 VanDerWaalsContact O-N 3.16Å; I63-F65 HydrophobicContact CG2-CD1 4.03Å; I63-F65 HydrophobicContact CG2-CE1 4.42Å; I63-V133 HydrophobicContact CG2-CG1 3.7Å; I63-I137 HydrophobicContact CB-CD1 4.13Å; I63-I137 HydrophobicContact CD1-CB 4.47Å; I63-I137 HydrophobicContact CD1-CD1 3.74Å; I63-I137 HydrophobicContact CD1-CG2 4.41Å; I63-I137 HydrophobicContact CG1-CD1 3.82Å; I63-I137 HydrophobicContact CG2-CD1 3.22Å; I63-T149 WeakPolarHBondContact CA-OG1 3.44Å; I63-T149 HydrophobicContact CG2-CG2 4.25Å
64	V	78	Confident	70.5	Confident	30 Å²	30	89.1 Å²	89.1	18%	0.182	49%	0.487	C	S	.	.			trans	-122.1	123.7	-174.4	-173.4	0	0	0	0	110.1	Q62 T149 K151	Q62-V64 HydrophobicContact CB-CG2 4.46Å; V64-T149 PolarHBondContact N-OG1 3.13Å; V64-T149 WeakPolarHBondContact O-CB 3.44Å; V64-K151 HydrophobicContact CG1-CB 3.45Å; V64-K151 VanDerWaalsContact CG1-CB 3.45Å; V64-K151 HydrophobicContact CG1-CD 3.57Å; V64-K151 HydrophobicContact CG1-CG 3.25Å
65	F	78.9	Confident	71.6	Confident	62 Å²	62	88.1 Å²	88.1	27%	0.272	48%	0.478	S	S	.	.			trans	-146.4	166.7	176.7	57.1	-89.3	0	0	0	111.3	I63 E67 A72 L73 L74 L130 V133	I63-F65 HydrophobicContact CG2-CD1 4.03Å; I63-F65 HydrophobicContact CG2-CE1 4.42Å; F65-E67 HydrophobicContact CD2-CB 4.49Å; F65-E67 HydrophobicContact CE2-CB 4.29Å; F65-A72 HydrophobicContact CB-CB 4.22Å; F65-A72 HydrophobicContact CD2-CB 3.5Å; F65-A72 VanDerWaalsContact CD2-CB 3.5Å; F65-A72 HydrophobicContact CE2-CB 3.98Å; F65-A72 HydrophobicContact CG-CB 3.91Å; F65-L73 WeakPolarHBondContact CA-O 3.49Å; F65-L73 WeakPolarHBondContact CB-O 3.38Å; F65-L74 HydrophobicContact CB-CD2 3.64Å; F65-L74 HydrophobicContact CB-CG 4.19Å; F65-L74 HydrophobicContact CD1-CD2 4.47Å; F65-L74 HydrophobicContact CG-CD2 4.44Å; F65-L130 HydrophobicContact CE2-CD1 3.71Å; F65-L130 HydrophobicContact CE2-CG 4.48Å; F65-L130 HydrophobicContact CZ-CD1 4.21Å; F65-V133 HydrophobicContact CD1-CG1 3.89Å; F65-V133 HydrophobicContact CE1-CG1 3.99Å
66	E	78.1	Confident	72.8	Confident	78 Å²	78	80.8 Å²	80.8	36%	0.364	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.3	167	-65.2	171.4	178	0	0	108.6	A72 L73	E66-A72 CarbonylContact O-C 3.57Å; E66-A72 WeakPolarHBondContact O-CA 3.4Å; E66-L73 HydrophobicContact CB-CB 4.29Å; E66-L73 PolarHBondContact N-O 2.97Å; E66-L73 VanDerWaalsContact N-O 3.08Å; E66-L73 PolarHBondContact O-N 3.49Å
67	E	81	Confident	74.2	Confident	132 Å²	132	76.8 Å²	76.8	62%	0.617	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.7	-179.6	-178.9	179.6	165.2	0	0	109.9	F65 K71 L130	F65-E67 HydrophobicContact CD2-CB 4.49Å; F65-E67 HydrophobicContact CE2-CB 4.29Å; E67-K71 WeakPolarHBondContact CA-O 3.34Å; E67-L130 HydrophobicContact CB-CD1 4.27Å; E67-L130 HydrophobicContact CG-CD1 3.58Å; E67-L130 WeakPolarHBondContact OE2-CD1 3.48Å
68	E	77.4	Confident	75.7	Confident	151 Å²	151	74 Å²	74	71%	0.706	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	126	174.4	-167.4	170.7	-165.3	0	0	109	G70 K71	E68-G70 VanDerWaalsContact C-N 3.33Å; E68-G70 PolarHBondContact O-N 3.16Å; E68-K71 PolarHBondContact N-O 3.31Å; E68-K71 WeakPolarHBondContact O-CA 3.49Å; E68-K71 WeakPolarHBondContact O-CB 3.39Å; E68-K71 PolarHBondContact O-N 3.26Å
69	D	80.1	Confident	77.9	Confident	157 Å²	157	66.7 Å²	66.7	84%	0.84	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	44.1	176.5	-66	-24.2	0	0	0	115.9	K71	D69-K71 PolarHBondContact O-N 3Å
70	G	83.8	Confident	80	Confident	32 Å²	32	63.7 Å²	63.7	33%	0.33	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	6.6	179.4	0	0	0	0	0	114.4	E68 L130	E68-G70 VanDerWaalsContact C-N 3.33Å; E68-G70 PolarHBondContact O-N 3.16Å; G70-L130 WeakPolarHBondContact O-CB 3.32Å; G70-L130 PolarHBondContact O-N 2.8Å; G70-L130 VanDerWaalsContact O-N 3.15Å
71	K	89	Confident	81.4	Confident	91 Å²	91	62.2 Å²	62.2	40%	0.396	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.4	174.4	-56.4	-172.7	-176.8	174.4	0	110.6	E67 E68 D69 E127 V128	E67-K71 WeakPolarHBondContact CA-O 3.34Å; E68-K71 PolarHBondContact N-O 3.31Å; E68-K71 WeakPolarHBondContact O-CA 3.49Å; E68-K71 WeakPolarHBondContact O-CB 3.39Å; E68-K71 PolarHBondContact O-N 3.26Å; D69-K71 PolarHBondContact O-N 3Å; K71-E127 HydrophobicContact CB-CG 3.89Å; K71-E127 HydrophobicContact CD-CG 3.65Å; K71-E127 WeakPolarHBondContact CD-OE1 3.45Å; K71-E127 HydrophobicContact CG-CG 4.41Å; K71-E127 IonicContact NZ-OE1 3.78Å; K71-E127 PolarHBondContact NZ-OE1 2.73Å; K71-E127 IonicContact NZ-OE2 2.92Å; K71-V128 CarbonylContact C-O 3.59Å; K71-V128 WeakPolarHBondContact CA-O 3.39Å
72	A	88.4	Confident	81.9	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.3	176.2	0	0	0	0	0	109.7	F65 E66 E127 V128 V133	F65-A72 HydrophobicContact CB-CB 4.22Å; F65-A72 HydrophobicContact CD2-CB 3.5Å; F65-A72 VanDerWaalsContact CD2-CB 3.5Å; F65-A72 HydrophobicContact CE2-CB 3.98Å; F65-A72 HydrophobicContact CG-CB 3.91Å; E66-A72 CarbonylContact O-C 3.57Å; E66-A72 WeakPolarHBondContact O-CA 3.4Å; A72-E127 WeakPolarHBondContact O-CA 3.47Å; A72-V128 HydrophobicContact CB-CG1 4.36Å; A72-V128 PolarHBondContact N-O 3.47Å; A72-V128 PolarHBondContact O-N 3.27Å; A72-V133 HydrophobicContact CB-CG2 3.27Å
73	L	87.2	Confident	81.7	Confident	30 Å²	30	56 Å²	56	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.8	170.5	-169.7	66.8	0	0	0	109.4	F65 E66 R125 E127	F65-L73 WeakPolarHBondContact CA-O 3.49Å; F65-L73 WeakPolarHBondContact CB-O 3.38Å; E66-L73 HydrophobicContact CB-CB 4.29Å; E66-L73 PolarHBondContact N-O 2.97Å; E66-L73 VanDerWaalsContact N-O 3.08Å; E66-L73 PolarHBondContact O-N 3.49Å; L73-R125 HydrophobicContact CD1-CG 4.19Å; L73-R125 VanDerWaalsContact CD2-NH2 3.25Å; L73-E127 HydrophobicContact CD1-CB 4.24Å
74	L	88.8	Confident	80.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132	-173.3	-73.1	163.5	0	0	0	111.2	F65 L76 R125 C126 V128 V133 L136 I137 T149	F65-L74 HydrophobicContact CB-CD2 3.64Å; F65-L74 HydrophobicContact CB-CG 4.19Å; F65-L74 HydrophobicContact CD1-CD2 4.47Å; F65-L74 HydrophobicContact CG-CD2 4.44Å; L74-L76 HydrophobicContact CB-CD1 4.34Å; L74-L76 HydrophobicContact CB-CD2 4.41Å; L74-L76 HydrophobicContact CB-CG 4.09Å; L74-R125 VanDerWaalsContact O-CA 3.32Å; L74-R125 WeakPolarHBondContact O-CA 3.39Å; L74-C126 PolarHBondContact N-O 3.11Å; L74-C126 PolarHBondContact O-N 3.29Å; L74-V128 HydrophobicContact CD1-CG1 3.53Å; L74-V133 HydrophobicContact CD1-CG1 4.3Å; L74-V133 HydrophobicContact CD1-CG2 4.4Å; L74-V133 HydrophobicContact CD2-CG1 4.03Å; L74-L136 HydrophobicContact CD1-CD2 3.78Å; L74-I137 HydrophobicContact CD2-CD1 4.21Å; L74-T149 HydrophobicContact CD2-CG2 4.34Å
75	N	87.3	Confident	79.5	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	105.4	166.3	-66.3	-55.5	0	0	0	109.2	F123 R125 T149 T150	N75-F123 HydrophobicContact CB-CE2 3.94Å; N75-R125 WeakPolarHBondContact OD1-CG 3.28Å; N75-T149 WeakPolarHBondContact O-CA 3.34Å; N75-T150 HydrophobicContact CB-CG2 4.13Å; N75-T150 PolarHBondContact ND2-O 3.42Å; N75-T150 PolarHBondContact O-N 3.41Å
76	L	89.3	Confident	78.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.9	-171.8	-62.4	169.4	0	0	0	111.2	L74 F78 F95 F123 V124 I137 I140 K148 T149	L74-L76 HydrophobicContact CB-CD1 4.34Å; L74-L76 HydrophobicContact CB-CD2 4.41Å; L74-L76 HydrophobicContact CB-CG 4.09Å; L76-F78 HydrophobicContact CB-CD1 4.46Å; L76-F95 HydrophobicContact CD1-CE1 3.72Å; L76-F95 HydrophobicContact CD1-CZ 4.06Å; L76-F123 WeakPolarHBondContact O-CA 3.47Å; L76-V124 PolarHBondContact N-O 3.33Å; L76-V124 PolarHBondContact O-N 2.82Å; L76-I137 HydrophobicContact CD2-CG1 4.13Å; L76-I140 HydrophobicContact CD1-CD1 3.66Å; L76-K148 WeakPolarHBondContact CA-O 3.25Å; L76-T149 HydrophobicContact CD2-CG2 3.4Å
77	F	88	Confident	78.2	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.2	168.5	-65.8	-86.5	0	0	0	109.2	E121 Y122 F123 V147 K148 T150 K154	F77-E121 HydrophobicContact CD1-CG 4.33Å; F77-Y122 VanDerWaalsContact CA-O 3.31Å; F77-Y122 WeakPolarHBondContact CA-O 3.32Å; F77-F123 HydrophobicContact CD1-CB 3.98Å; F77-F123 HydrophobicContact CD1-CD2 4.14Å; F77-F123 HydrophobicContact CD1-CG 4.33Å; F77-F123 HydrophobicContact CD2-CD2 4.35Å; F77-F123 HydrophobicContact CE1-CB 3.48Å; F77-F123 VanDerWaalsContact CE1-CB 3.48Å; F77-F123 HydrophobicContact CE1-CD1 4.37Å; F77-F123 AromaticContact CE1-CD2 3.42Å; F77-F123 HydrophobicContact CE1-CD2 3.42Å; F77-F123 VanDerWaalsContact CE1-CD2 3.42Å; F77-F123 HydrophobicContact CE1-CE2 4.28Å; F77-F123 AromaticContact CE1-CG 3.49Å; F77-F123 HydrophobicContact CE1-CG 3.49Å; F77-F123 VanDerWaalsContact CE1-CG 3.49Å; F77-F123 AromaticContact CE2-CD2 3.67Å; F77-F123 HydrophobicContact CE2-CD2 3.67Å; F77-F123 AromaticContact CE2-CE2 3.88Å; F77-F123 HydrophobicContact CE2-CE2 3.88Å; F77-F123 HydrophobicContact CZ-CB 4.11Å; F77-F123 HydrophobicContact CZ-CD1 4.3Å; F77-F123 AromaticContact CZ-CD2 3.1Å; F77-F123 HydrophobicContact CZ-CD2 3.1Å; F77-F123 AromaticContact CZ-CE2 3.51Å; F77-F123 HydrophobicContact CZ-CE2 3.51Å; F77-F123 AromaticContact CZ-CG 3.57Å; F77-F123 HydrophobicContact CZ-CG 3.57Å; F77-F123 HydrophobicContact CZ-CZ 4.25Å; F77-V147 CarbonylContact O-C 3.56Å; F77-V147 VanDerWaalsContact O-CA 3.25Å; F77-V147 WeakPolarHBondContact O-CA 3.41Å; F77-K148 HydrophobicContact CB-CB 4.4Å; F77-K148 PolarHBondContact N-O 2.94Å; F77-K148 PolarHBondContact O-N 2.91Å; F77-T150 HydrophobicContact CD2-CG2 4.1Å; F77-T150 HydrophobicContact CE2-CG2 3.66Å; F77-K154 VanDerWaalsContact CD1-NZ 3.26Å; F77-K154 HydrophobicContact CE1-CD 3.68Å; F77-K154 HydrophobicContact CE2-CD 3.9Å; F77-K154 HydrophobicContact CE2-CG 4.12Å; F77-K154 HydrophobicContact CZ-CB 4.11Å; F77-K154 HydrophobicContact CZ-CD 3.19Å; F77-K154 HydrophobicContact CZ-CG 3.65Å
78	F	88.6	Confident	78.1	Confident	3 Å²	3	60.8 Å²	60.8	1%	0.013	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	155.7	175.7	59.9	-91.8	0	0	0	111.6	L76 L80 F95 Y122 V124 I140 A144 V147	L76-F78 HydrophobicContact CB-CD1 4.46Å; F78-L80 HydrophobicContact CD2-CD2 3.96Å; F78-L80 HydrophobicContact CD2-CG 4.32Å; F78-L80 HydrophobicContact CE2-CD2 3.67Å; F78-L80 HydrophobicContact CE2-CG 4.07Å; F78-F95 HydrophobicContact CE1-CE2 4.44Å; F78-F95 HydrophobicContact CE1-CZ 4.19Å; F78-F95 HydrophobicContact CZ-CE2 4.37Å; F78-Y122 HydrophobicContact CD2-CD2 4.49Å; F78-Y122 HydrophobicContact CD2-CG 4.43Å; F78-Y122 HydrophobicContact CE2-CD2 4.2Å; F78-Y122 AromaticContact CE2-CG 3.84Å; F78-Y122 HydrophobicContact CE2-CG 3.84Å; F78-Y122 HydrophobicContact CZ-CG 4.2Å; F78-Y122 PolarHBondContact N-O 2.79Å; F78-Y122 VanDerWaalsContact N-O 3.09Å; F78-Y122 PolarHBondContact O-N 3.15Å; F78-V124 HydrophobicContact CE1-CB 4.36Å; F78-V124 HydrophobicContact CE1-CG2 3.71Å; F78-V124 HydrophobicContact CZ-CG2 3.97Å; F78-I140 HydrophobicContact CB-CG2 4.29Å; F78-I140 HydrophobicContact CD1-CG2 4.09Å; F78-I140 HydrophobicContact CG-CG2 4.06Å; F78-A144 HydrophobicContact CB-CB 3.8Å; F78-A144 HydrophobicContact CD2-CB 3.76Å; F78-A144 HydrophobicContact CG-CB 4.09Å; F78-V147 HydrophobicContact CB-CB 4.49Å; F78-V147 HydrophobicContact CB-CG2 3.96Å
79	T	87.1	Confident	78.3	Confident	26 Å²	26	56.9 Å²	56.9	16%	0.16	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.3	172	-55.8	0	0	0	0	108.4	A144 E145	T79-A144 CarbonylContact O-C 3.56Å; T79-A144 VanDerWaalsContact O-CA 3.31Å; T79-A144 WeakPolarHBondContact O-CA 3.25Å; T79-A144 WeakPolarHBondContact O-CB 3.34Å; T79-E145 PolarHBondContact N-O 2.66Å; T79-E145 PolarHBondContact O-N 2.88Å
80	L	84.9	Confident	78.2	Confident	26 Å²	26	55 Å²	55	14%	0.136	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134.9	-180	-68.4	176.6	0	0	0	110.9	F78 S82 A87 L88 Y122 A144	F78-L80 HydrophobicContact CD2-CD2 3.96Å; F78-L80 HydrophobicContact CD2-CG 4.32Å; F78-L80 HydrophobicContact CE2-CD2 3.67Å; F78-L80 HydrophobicContact CE2-CG 4.07Å; L80-S82 PolarHBondContact O-N 2.92Å; L80-A87 HydrophobicContact CB-CB 3.86Å; L80-A87 HydrophobicContact CD1-CB 3.88Å; L80-A87 HydrophobicContact CD2-CB 4.45Å; L80-A87 HydrophobicContact CG-CB 4.3Å; L80-L88 HydrophobicContact CD1-CB 4.15Å; L80-L88 HydrophobicContact CD1-CD1 4.36Å; L80-Y122 HydrophobicContact CB-CE2 4.32Å; L80-Y122 HydrophobicContact CD1-CD2 4.19Å; L80-Y122 HydrophobicContact CD1-CE1 4.2Å; L80-Y122 HydrophobicContact CD1-CE2 3.56Å; L80-Y122 HydrophobicContact CG-CD2 3.99Å; L80-Y122 HydrophobicContact CG-CE2 3.73Å; L80-A144 HydrophobicContact CD2-CB 4.44Å
81	R	76.7	Confident	78.1	Confident	114 Å²	114	53.6 Å²	53.6	43%	0.43	28%	0.284	S	S	.	.			trans	-65.4	132.2	176.5	-64.4	-170.8	-167.3	-156.2	4.8	110	S83 K141 I143 A144 E145	R81-S83 PolarHBondContact O-N 3.27Å; R81-K141 PolarHBondContact NH2-O 2.91Å; R81-K141 VanDerWaalsContact NH2-O 3.15Å; R81-I143 PolarHBondContact N-O 3.13Å; R81-A144 PolarHBondContact NE-O 2.66Å; R81-A144 PolarHBondContact NH2-O 2.83Å; R81-E145 HydrophobicContact CG-CG 3.72Å; R81-E145 WeakPolarHBondContact CG-OE1 3.45Å; R81-E145 IonicContact NE-OE1 2.75Å
82	S	65.8	Low	78	Confident	119 Å²	119	52.6 Å²	52.6	83%	0.832	28%	0.282	S	S	*	.			trans	-60.2	113.1	173.5	-175.9	0	0	0	0	109.4	L80	L80-S82 PolarHBondContact O-N 2.92Å
83	S	60.7	Low	77.9	Confident	53 Å²	53	57.8 Å²	57.8	37%	0.371	31%	0.305	S	S	.	.			trans	-136.4	154.2	175.4	90.5	0	0	0	0	109.5	R81 T85	R81-S83 PolarHBondContact O-N 3.27Å; S83-T85 PolarHBondContact O-N 3.15Å; S83-T85 PolarHBondContact OG-N 2.8Å; S83-T85 PolarHBondContact OG-O 3.43Å; S83-T85 PolarHBondContact OG-OG1 2.91Å
84	K	54.4	Low	78.1	Confident	223 Å²	223	57 Å²	57	97%	0.97	30%	0.302	S	S	*	.	S	Bend	trans	-61.7	3.6	178.2	-69.3	-174.2	176.2	-178.2	0	114.9
85	T	54.2	Low	78.3	Confident	58 Å²	58	57.2 Å²	57.2	36%	0.356	30%	0.303	S	S	.	.	S	Bend	trans	-131	145	-171.2	25.6	0	0	0	0	108.9	S83 A87 R90	S83-T85 PolarHBondContact O-N 3.15Å; S83-T85 PolarHBondContact OG-N 2.8Å; S83-T85 PolarHBondContact OG-O 3.43Å; S83-T85 PolarHBondContact OG-OG1 2.91Å; T85-A87 PolarHBondContact O-N 2.97Å; T85-R90 VanDerWaalsContact OG1-CZ 3.22Å; T85-R90 PolarHBondContact OG1-NH1 3.5Å; T85-R90 PolarHBondContact OG1-NH2 3.11Å
86	P	58.1	Low	78.5	Confident	96 Å²	96	64 Å²	64	62%	0.623	33%	0.334	S	S	*	.			trans	-58	106.2	-174.8	20.8	-30.4	0	0	0	110	L88 S89	P86-L88 VanDerWaalsContact C-N 3.26Å; P86-L88 PolarHBondContact O-N 2.77Å; P86-S89 PolarHBondContact O-OG 3.24Å; P86-S89 VanDerWaalsContact O-OG 3.13Å
87	A	71.5	Confident	78.6	Confident	23 Å²	23	65.2 Å²	65.2	19%	0.19	34%	0.342	C	S	.	.	H	α-helix	trans	-70.2	-26.6	-171.9	0	0	0	0	0	111.9	L80 T85 R90 S91	L80-A87 HydrophobicContact CB-CB 3.86Å; L80-A87 HydrophobicContact CD1-CB 3.88Å; L80-A87 HydrophobicContact CD2-CB 4.45Å; L80-A87 HydrophobicContact CG-CB 4.3Å; T85-A87 PolarHBondContact O-N 2.97Å; A87-R90 PolarHBondContact O-N 2.97Å; A87-S91 PolarHBondContact O-N 3.43Å
88	L	78.4	Confident	78.8	Confident	67 Å²	67	65.4 Å²	65.4	35%	0.351	34%	0.342	S	S	.	.	H	α-helix	trans	-69.8	-39.6	-177.5	-176.7	58.7	0	0	0	113.1	L80 P86 R90 S91 L92 Y122	L80-L88 HydrophobicContact CD1-CB 4.15Å; L80-L88 HydrophobicContact CD1-CD1 4.36Å; P86-L88 VanDerWaalsContact C-N 3.26Å; P86-L88 PolarHBondContact O-N 2.77Å; L88-R90 VanDerWaalsContact C-N 3.25Å; L88-R90 PolarHBondContact O-N 3.44Å; L88-S91 WeakPolarHBondContact CA-OG 3.44Å; L88-S91 PolarHBondContact O-N 3.45Å; L88-S91 PolarHBondContact O-OG 3.08Å; L88-L92 HydrophobicContact CD1-CG 4.33Å; L88-L92 HydrophobicContact CG-CD1 4.31Å; L88-L92 WeakPolarHBondContact O-CG 3.28Å; L88-L92 PolarHBondContact O-N 2.91Å; L88-Y122 HydrophobicContact CD1-CD1 4.17Å; L88-Y122 HydrophobicContact CD1-CE1 3.59Å
89	S	81.2	Confident	78.9	Confident	69 Å²	69	73.4 Å²	73.4	48%	0.483	38%	0.38	S	S	.	.	H	α-helix	trans	-65.5	-33.4	178.7	59.5	0	0	0	0	111.8	P86 K93	P86-S89 PolarHBondContact O-OG 3.24Å; P86-S89 VanDerWaalsContact O-OG 3.13Å; S89-K93 WeakPolarHBondContact O-CB 3.47Å; S89-K93 PolarHBondContact O-N 3.08Å
90	R	77.9	Confident	79.1	Confident	118 Å²	118	72.9 Å²	72.9	45%	0.445	38%	0.378	S	S	.	.	H	α-helix	trans	-68.3	-40.6	173	-67	-173.8	-173.1	150	2.1	112.2	T85 A87 L88 K93 V94	T85-R90 VanDerWaalsContact OG1-CZ 3.22Å; T85-R90 PolarHBondContact OG1-NH1 3.5Å; T85-R90 PolarHBondContact OG1-NH2 3.11Å; A87-R90 PolarHBondContact O-N 2.97Å; L88-R90 VanDerWaalsContact C-N 3.25Å; L88-R90 PolarHBondContact O-N 3.44Å; R90-K93 PolarHBondContact O-N 2.88Å; R90-V94 PolarHBondContact O-N 3.04Å; R90-V94 VanDerWaalsContact O-N 3.12Å
91	S	82	Confident	79.5	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.007	40%	0.398	C	S	.	.	H	α-helix	trans	-67	-41.1	177.3	58.4	0	0	0	0	112.2	A87 L88 K93 V94 F95	A87-S91 PolarHBondContact O-N 3.43Å; L88-S91 WeakPolarHBondContact CA-OG 3.44Å; L88-S91 PolarHBondContact O-N 3.45Å; L88-S91 PolarHBondContact O-OG 3.08Å; S91-K93 VanDerWaalsContact C-N 3.3Å; S91-K93 PolarHBondContact O-N 3.37Å; S91-V94 WeakPolarHBondContact O-CB 3.47Å; S91-V94 PolarHBondContact O-N 3.08Å; S91-V94 VanDerWaalsContact O-N 3.15Å; S91-F95 WeakPolarHBondContact O-CD2 3.47Å; S91-F95 PolarHBondContact O-N 3.3Å
92	L	87.2	Confident	80.1	Confident	70 Å²	70	75.3 Å²	75.3	37%	0.366	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-39.7	173.1	-67.4	177.9	0	0	0	112.1	L88 V94 F95 E96 I102 L105	L88-L92 HydrophobicContact CD1-CG 4.33Å; L88-L92 HydrophobicContact CG-CD1 4.31Å; L88-L92 WeakPolarHBondContact O-CG 3.28Å; L88-L92 PolarHBondContact O-N 2.91Å; L92-V94 VanDerWaalsContact C-N 3.26Å; L92-V94 PolarHBondContact O-N 3.32Å; L92-F95 PolarHBondContact O-N 3.19Å; L92-F95 VanDerWaalsContact O-N 3.14Å; L92-E96 PolarHBondContact O-N 3.46Å; L92-I102 HydrophobicContact CD2-CD1 4.18Å; L92-L105 HydrophobicContact CD2-CD1 3.98Å
93	K	87.6	Confident	81	Confident	109 Å²	109	74 Å²	74	47%	0.474	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-32.3	175.5	-168.6	173.3	-177.3	-174.8	0	113	S89 R90 S91 E96 T97	S89-K93 WeakPolarHBondContact O-CB 3.47Å; S89-K93 PolarHBondContact O-N 3.08Å; R90-K93 PolarHBondContact O-N 2.88Å; S91-K93 VanDerWaalsContact C-N 3.3Å; S91-K93 PolarHBondContact O-N 3.37Å; K93-E96 WeakPolarHBondContact O-CB 3.44Å; K93-E96 PolarHBondContact O-N 3.29Å; K93-T97 PolarHBondContact O-N 2.86Å; K93-T97 PolarHBondContact O-OG1 2.95Å; K93-T97 VanDerWaalsContact O-OG1 3.06Å
94	V	90.5	Very high	82	Confident	15 Å²	15	73.2 Å²	73.2	9%	0.091	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-49.3	173.2	171	0	0	0	0	110.1	R90 S91 L92 E96 T97 F98 L136 I140 I143	R90-V94 PolarHBondContact O-N 3.04Å; R90-V94 VanDerWaalsContact O-N 3.12Å; S91-V94 WeakPolarHBondContact O-CB 3.47Å; S91-V94 PolarHBondContact O-N 3.08Å; S91-V94 VanDerWaalsContact O-N 3.15Å; L92-V94 VanDerWaalsContact C-N 3.26Å; L92-V94 PolarHBondContact O-N 3.32Å; V94-E96 VanDerWaalsContact C-N 3.27Å; V94-E96 PolarHBondContact O-N 2.79Å; V94-T97 PolarHBondContact O-N 2.61Å; V94-F98 HydrophobicContact CG1-CD2 4.1Å; V94-F98 HydrophobicContact CG1-CE2 4.08Å; V94-F98 WeakPolarHBondContact O-CD2 3.46Å; V94-F98 PolarHBondContact O-N 3.23Å; V94-L136 HydrophobicContact CG1-CD1 3.79Å; V94-I140 HydrophobicContact CG1-CG1 3.82Å; V94-I143 HydrophobicContact CG2-CD1 3.75Å
95	F	92.6	Very high	83.6	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-39.8	176.4	-66	-75	0	0	0	112.1	L76 F78 S91 L92 F98 E99 A100 I102 V124 C126 L136 I140	L76-F95 HydrophobicContact CD1-CE1 3.72Å; L76-F95 HydrophobicContact CD1-CZ 4.06Å; F78-F95 HydrophobicContact CE1-CE2 4.44Å; F78-F95 HydrophobicContact CE1-CZ 4.19Å; F78-F95 HydrophobicContact CZ-CE2 4.37Å; S91-F95 WeakPolarHBondContact O-CD2 3.47Å; S91-F95 PolarHBondContact O-N 3.3Å; L92-F95 PolarHBondContact O-N 3.19Å; L92-F95 VanDerWaalsContact O-N 3.14Å; F95-F98 PolarHBondContact O-N 3.22Å; F95-E99 PolarHBondContact O-N 3.27Å; F95-A100 HydrophobicContact CB-CB 4.2Å; F95-A100 HydrophobicContact CD1-CB 4.01Å; F95-A100 PolarHBondContact O-N 2.83Å; F95-I102 HydrophobicContact CB-CD1 4.16Å; F95-I102 HydrophobicContact CD2-CD1 4.28Å; F95-I102 HydrophobicContact CG-CD1 4.13Å; F95-I102 HydrophobicContact CG-CG1 4.49Å; F95-V124 HydrophobicContact CE1-CG1 3.99Å; F95-V124 HydrophobicContact CE2-CG1 4.39Å; F95-V124 HydrophobicContact CE2-CG2 4.4Å; F95-V124 HydrophobicContact CZ-CB 4.11Å; F95-V124 HydrophobicContact CZ-CG1 3.84Å; F95-V124 HydrophobicContact CZ-CG2 4.21Å; F95-C126 HydrophobicContact CD1-CB 4.47Å; F95-C126 HydrophobicContact CE1-CB 4.48Å; F95-L136 HydrophobicContact CD1-CD1 4.14Å; F95-L136 HydrophobicContact CE1-CD1 4.39Å; F95-I140 HydrophobicContact CE1-CD1 3.82Å; F95-I140 HydrophobicContact CE2-CD1 4.4Å; F95-I140 HydrophobicContact CZ-CD1 3.61Å
96	E	91.6	Very high	84.9	Confident	146 Å²	146	65 Å²	65	68%	0.682	33%	0.327	S	S	*	.	H	α-helix	trans	-61	-45.4	174.8	-168.9	-177.4	-176.6	0	0	112.5	L92 K93 V94 F98 E99	L92-E96 PolarHBondContact O-N 3.46Å; K93-E96 WeakPolarHBondContact O-CB 3.44Å; K93-E96 PolarHBondContact O-N 3.29Å; V94-E96 VanDerWaalsContact C-N 3.27Å; V94-E96 PolarHBondContact O-N 2.79Å; E96-F98 PolarHBondContact O-N 3.4Å; E96-E99 PolarHBondContact O-N 3.24Å
97	T	91.1	Very high	86.1	Confident	26 Å²	26	63.8 Å²	63.8	16%	0.16	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-29.1	178.3	-64.5	0	0	0	0	113.3	A43 R47 K93 V94	A43-T97 HydrophobicContact CB-CG2 4.39Å; R47-T97 HydrophobicContact CG-CG2 4.37Å; R47-T97 PolarHBondContact NE-O 3.01Å; R47-T97 PolarHBondContact NH2-O 3.24Å; K93-T97 PolarHBondContact O-N 2.86Å; K93-T97 PolarHBondContact O-OG1 2.95Å; K93-T97 VanDerWaalsContact O-OG1 3.06Å; V94-T97 PolarHBondContact O-N 2.61Å
98	F	91.7	Very high	86.3	Confident	7 Å²	7	64.7 Å²	64.7	3%	0.031	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.6	176.7	-67.3	-76.8	0	0	0	113.1	R47 V94 F95 E96 A100 V128 D132 T135 L136 S139	R47-F98 HydrophobicContact CG-CE1 3.93Å; R47-F98 HydrophobicContact CG-CZ 4.16Å; V94-F98 HydrophobicContact CG1-CD2 4.1Å; V94-F98 HydrophobicContact CG1-CE2 4.08Å; V94-F98 WeakPolarHBondContact O-CD2 3.46Å; V94-F98 PolarHBondContact O-N 3.23Å; F95-F98 PolarHBondContact O-N 3.22Å; E96-F98 PolarHBondContact O-N 3.4Å; F98-A100 PolarHBondContact O-N 2.84Å; F98-A100 VanDerWaalsContact O-N 3.11Å; F98-V128 HydrophobicContact CB-CG2 4.13Å; F98-D132 HydrophobicContact CD1-CB 3.95Å; F98-T135 HydrophobicContact CE1-CG2 3.53Å; F98-T135 HydrophobicContact CZ-CG2 3.64Å; F98-L136 HydrophobicContact CB-CD1 4.08Å; F98-L136 HydrophobicContact CD1-CB 4.37Å; F98-L136 HydrophobicContact CD2-CB 4.03Å; F98-L136 HydrophobicContact CD2-CD1 3.48Å; F98-L136 VanDerWaalsContact CD2-CD1 3.48Å; F98-L136 HydrophobicContact CD2-CG 4.37Å; F98-L136 HydrophobicContact CE2-CB 4.44Å; F98-L136 HydrophobicContact CE2-CD1 4.27Å; F98-L136 HydrophobicContact CG-CB 4.03Å; F98-L136 HydrophobicContact CG-CD1 3.97Å; F98-S139 VanDerWaalsContact CE2-OG 3.26Å; F98-S139 WeakPolarHBondContact CE2-OG 3.41Å; F98-S139 WeakPolarHBondContact CZ-OG 3.5Å
99	E	91.1	Very high	86.1	Confident	171 Å²	171	66.8 Å²	66.8	80%	0.799	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	33.4	-177	-58	-179.1	175.5	0	0	112.2	F95 E96 K101	F95-E99 PolarHBondContact O-N 3.27Å; E96-E99 PolarHBondContact O-N 3.24Å; E99-K101 PolarHBondContact O-N 3.11Å
100	A	92.5	Very high	85.6	Confident	15 Å²	15	65.4 Å²	65.4	12%	0.124	32%	0.324	C	S	.	.			trans	-75.1	124.8	-176	0	0	0	0	0	110.6	F95 F98 I102 C126 E127 V128	F95-A100 HydrophobicContact CB-CB 4.2Å; F95-A100 HydrophobicContact CD1-CB 4.01Å; F95-A100 PolarHBondContact O-N 2.83Å; F98-A100 PolarHBondContact O-N 2.84Å; F98-A100 VanDerWaalsContact O-N 3.11Å; A100-I102 PolarHBondContact O-N 2.94Å; A100-C126 HydrophobicContact CB-CB 4.47Å; A100-E127 CarbonylContact C-O 3.53Å; A100-E127 VanDerWaalsContact CA-O 3.26Å; A100-E127 WeakPolarHBondContact CA-O 3.4Å; A100-V128 HydrophobicContact CB-CB 4.29Å; A100-V128 HydrophobicContact CB-CG2 4.36Å
101	K	92.3	Very high	85	Confident	126 Å²	126	70 Å²	70	55%	0.548	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	110.3	176.6	-176.8	-179.2	179.9	-176.8	0	109.6	E99 H103 C126 E127	E99-K101 PolarHBondContact O-N 3.11Å; K101-H103 PolarHBondContact O-CD2 2.73Å; K101-C126 CarbonylContact O-C 3.48Å; K101-C126 WeakPolarHBondContact O-CA 3.41Å; K101-E127 HydrophobicContact CB-CB 4.32Å; K101-E127 PolarHBondContact N-O 2.92Å; K101-E127 PolarHBondContact O-N 3.04Å
102	I	90.5	Very high	83.9	Confident	65 Å²	65	77.8 Å²	77.8	33%	0.333	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.8	178.5	-60.6	175.6	0	0	0	109.6	L92 F95 A100 L105 V124 C126	L92-I102 HydrophobicContact CD2-CD1 4.18Å; F95-I102 HydrophobicContact CB-CD1 4.16Å; F95-I102 HydrophobicContact CD2-CD1 4.28Å; F95-I102 HydrophobicContact CG-CD1 4.13Å; F95-I102 HydrophobicContact CG-CG1 4.49Å; A100-I102 PolarHBondContact O-N 2.94Å; I102-L105 HydrophobicContact CG2-CB 4.26Å; I102-V124 HydrophobicContact CD1-CG1 4.49Å; I102-V124 HydrophobicContact CG1-CG1 4.28Å; I102-V124 HydrophobicContact CG2-CG1 4.09Å; I102-C126 HydrophobicContact CG1-CB 4.29Å
103	H	83.4	Confident	82.3	Confident	93 Å²	93	80.1 Å²	80.1	43%	0.431	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-31.8	175.3	-69.4	-85.1	0	0	0	112.8	K101 R125	K101-H103 PolarHBondContact O-CD2 2.73Å; H103-R125 HydrophobicContact CB-CB 4.43Å; H103-R125 HydrophobicContact CB-CG 4.3Å; H103-R125 PolarHBondContact N-O 3.02Å
104	H	82.6	Confident	80.8	Confident	36 Å²	36	83.9 Å²	83.9	17%	0.167	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	139.4	179.9	-172.3	67.3	0	0	0	109.9	E106 F123 V124 R125	H104-E106 IonicContact CD2-OE2 2.74Å; H104-E106 IonicContact CE1-OE2 3.26Å; H104-E106 VanDerWaalsContact NE2-CD 3.27Å; H104-E106 WeakPolarHBondContact NE2-CG 2.94Å; H104-E106 IonicContact NE2-OE2 3.81Å; H104-E106 PolarHBondContact NE2-OE2 3.02Å; H104-F123 AromaticContact CD2-CD1 3.59Å; H104-F123 AromaticContact CD2-CE1 3.58Å; H104-V124 WeakPolarHBondContact O-CA 3.36Å; H104-R125 HydrophobicContact CB-CB 3.87Å; H104-R125 PolarHBondContact N-O 3.04Å; H104-R125 PolarHBondContact O-N 2.92Å
105	L	87	Confident	79	Confident	75 Å²	75	90 Å²	90	39%	0.393	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	124.8	170.7	-176.8	149.9	0	0	0	108.7	L92 I102 F123 V124	L92-L105 HydrophobicContact CD2-CD1 3.98Å; I102-L105 HydrophobicContact CG2-CB 4.26Å; L105-F123 WeakPolarHBondContact CA-O 3.44Å; L105-V124 HydrophobicContact CD1-CG2 4.14Å; L105-V124 HydrophobicContact CG-CG2 4.24Å
106	E	82	Confident	76.9	Confident	33 Å²	33	96 Å²	96	15%	0.154	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	159.4	172.9	64.9	178.4	-154.7	0	0	111	H104 R108 F123	H104-E106 IonicContact CD2-OE2 2.74Å; H104-E106 IonicContact CE1-OE2 3.26Å; H104-E106 VanDerWaalsContact NE2-CD 3.27Å; H104-E106 WeakPolarHBondContact NE2-CG 2.94Å; H104-E106 IonicContact NE2-OE2 3.81Å; H104-E106 PolarHBondContact NE2-OE2 3.02Å; E106-R108 IonicContact OE1-CZ 3.34Å; E106-R108 IonicContact OE1-NE 3.82Å; E106-R108 PolarHBondContact OE1-NE 2.88Å; E106-R108 IonicContact OE1-NH2 4Å; E106-R108 PolarHBondContact OE1-NH2 3.23Å; E106-F123 HydrophobicContact CG-CB 3.76Å; E106-F123 HydrophobicContact CG-CD1 3.84Å; E106-F123 HydrophobicContact CG-CG 4.29Å; E106-F123 PolarHBondContact N-O 3.21Å; E106-F123 PolarHBondContact O-N 2.79Å; E106-F123 WeakPolarHBondContact OE1-CD1 3.26Å
107	T	83.1	Confident	75.1	Confident	70 Å²	70	95 Å²	95	43%	0.429	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.1	172.6	56.6	0	0	0	0	110.4	E121 Y122	T107-E121 CarbonylContact C-O 3.02Å; T107-E121 WeakPolarHBondContact CA-O 3.48Å; T107-Y122 HydrophobicContact CG2-CD1 3.58Å; T107-Y122 HydrophobicContact CG2-CE1 3.36Å; T107-Y122 HydrophobicContact CG2-CG 4.25Å
108	R	76.3	Confident	73.5	Confident	43 Å²	43	103.2 Å²	103.2	16%	0.162	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.6	175.4	-58.6	-175.8	-177.5	-160.8	0.8	109.5	E106 C110 L120 E121	E106-R108 IonicContact OE1-CZ 3.34Å; E106-R108 IonicContact OE1-NE 3.82Å; E106-R108 PolarHBondContact OE1-NE 2.88Å; E106-R108 IonicContact OE1-NH2 4Å; E106-R108 PolarHBondContact OE1-NH2 3.23Å; R108-C110 PolarHBondContact O-N 3.45Å; R108-L120 CarbonylContact O-C 3.1Å; R108-L120 WeakPolarHBondContact O-CA 3.25Å; R108-E121 PolarHBondContact N-O 3.14Å; R108-E121 PolarHBondContact O-N 2.99Å
109	P	74.7	Confident	72.5	Confident	111 Å²	111	104.3 Å²	104.3	72%	0.721	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	132.5	166.3	-23	33.5	0	0	0	110.4	R111	P109-R111 PolarHBondContact O-N 3.36Å
110	C	70.3	Confident	72	Confident	39 Å²	39	99.8 Å²	99.8	26%	0.264	51%	0.51	S	S	.	.			trans	-63.4	132	-178.6	-169.8	0	0	0	0	110.9	R108 K112 G119	R108-C110 PolarHBondContact O-N 3.45Å; C110-K112 PolarHBondContact O-N 3.37Å; C110-K112 VanDerWaalsContact O-N 3.17Å; C110-G119 VanDerWaalsContact CB-O 3.23Å; C110-G119 WeakPolarHBondContact CB-O 3.48Å; C110-G119 PolarHBondContact N-O 3.34Å
111	R	63.9	Low	71.6	Confident	215 Å²	215	101 Å²	101	81%	0.811	51%	0.512	S	S	*	.	S	Bend	trans	-67.6	-13.8	-177.9	-69.3	-176.5	177.1	-179.6	-0.1	114	P109	P109-R111 PolarHBondContact O-N 3.36Å
112	K	60.4	Low	71.4	Confident	165 Å²	165	96.3 Å²	96.3	72%	0.717	49%	0.492	S	S	*	.	S	Bend	trans	-130.4	100.2	177.8	-66.9	-175.3	-178.7	-178.3	0	108.5	C110 R114	C110-K112 PolarHBondContact O-N 3.37Å; C110-K112 VanDerWaalsContact O-N 3.17Å; K112-R114 PolarHBondContact O-N 3.11Å
113	P	54	Low	71.2	Confident	119 Å²	119	93.5 Å²	93.5	77%	0.773	48%	0.477	S	S	*	.			trans	-63.4	109.8	171.2	17.2	-18.2	0	0	0	108.3
114	R	54.7	Low	71.5	Confident	188 Å²	188	89.1 Å²	89.1	71%	0.709	46%	0.457	S	S	*	.			trans	-95.5	125	161.3	-78.3	-177	171.2	168.1	-1.7	106.3	K112	K112-R114 PolarHBondContact O-N 3.11Å
115	D	52.2	Low	71.8	Confident	142 Å²	142	90.7 Å²	90.7	76%	0.759	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	89.1	174.1	-63	-23.7	0	0	0	116.3	L117	D115-L117 PolarHBondContact O-N 2.85Å
116	S	50.2	Low	71.9	Confident	130 Å²	130	87.1 Å²	87.1	91%	0.909	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	7.2	154.5	51.1	0	0	0	0	120.6
117	L	52.2	Low	72.4	Confident	127 Å²	127	87.7 Å²	87.7	67%	0.665	45%	0.445	S	S	*	.	S	Bend	trans	-121	127.8	177.7	-83.3	142	0	0	0	108.5	D115 G119	D115-L117 PolarHBondContact O-N 2.85Å; L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 3.12Å
118	E	59.3	Low	72.9	Confident	198 Å²	198	84.5 Å²	84.5	93%	0.925	43%	0.426	S	S	*	.			trans	-62.1	85.8	171.6	-68.5	-179.8	158.2	0	0	109.7
119	G	69.7	Low	73.6	Confident	30 Å²	30	87.7 Å²	87.7	31%	0.309	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-71.3	136.3	177.8	0	0	0	0	0	111.4	C110 L117	C110-G119 VanDerWaalsContact CB-O 3.23Å; C110-G119 WeakPolarHBondContact CB-O 3.48Å; C110-G119 PolarHBondContact N-O 3.34Å; L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 3.12Å
120	L	79.8	Confident	74.3	Confident	76 Å²	76	85.5 Å²	85.5	40%	0.398	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.6	171.3	-64.6	174.4	0	0	0	109.9	R108 Y122	R108-L120 CarbonylContact O-C 3.1Å; R108-L120 WeakPolarHBondContact O-CA 3.25Å; L120-Y122 HydrophobicContact CB-CE2 3.91Å; L120-Y122 WeakPolarHBondContact O-CD2 3.46Å
121	E	85	Confident	75.3	Confident	39 Å²	39	87 Å²	87	18%	0.182	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.7	163.3	-178.6	-179.1	-121.8	0	0	108	F77 T107 R108	F77-E121 HydrophobicContact CD1-CG 4.33Å; T107-E121 CarbonylContact C-O 3.02Å; T107-E121 WeakPolarHBondContact CA-O 3.48Å; R108-E121 PolarHBondContact N-O 3.14Å; R108-E121 PolarHBondContact O-N 2.99Å
122	Y	88.1	Confident	76.6	Confident	28 Å²	28	78 Å²	78	11%	0.11	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.3	176.3	-69.1	-102.6	0	0	0	108.9	F77 F78 L80 L88 T107 L120	F77-Y122 VanDerWaalsContact CA-O 3.31Å; F77-Y122 WeakPolarHBondContact CA-O 3.32Å; F78-Y122 HydrophobicContact CD2-CD2 4.49Å; F78-Y122 HydrophobicContact CD2-CG 4.43Å; F78-Y122 HydrophobicContact CE2-CD2 4.2Å; F78-Y122 AromaticContact CE2-CG 3.84Å; F78-Y122 HydrophobicContact CE2-CG 3.84Å; F78-Y122 HydrophobicContact CZ-CG 4.2Å; F78-Y122 PolarHBondContact N-O 2.79Å; F78-Y122 VanDerWaalsContact N-O 3.09Å; F78-Y122 PolarHBondContact O-N 3.15Å; L80-Y122 HydrophobicContact CB-CE2 4.32Å; L80-Y122 HydrophobicContact CD1-CD2 4.19Å; L80-Y122 HydrophobicContact CD1-CE1 4.2Å; L80-Y122 HydrophobicContact CD1-CE2 3.56Å; L80-Y122 HydrophobicContact CG-CD2 3.99Å; L80-Y122 HydrophobicContact CG-CE2 3.73Å; L88-Y122 HydrophobicContact CD1-CD1 4.17Å; L88-Y122 HydrophobicContact CD1-CE1 3.59Å; T107-Y122 HydrophobicContact CG2-CD1 3.58Å; T107-Y122 HydrophobicContact CG2-CE1 3.36Å; T107-Y122 HydrophobicContact CG2-CG 4.25Å; L120-Y122 HydrophobicContact CB-CE2 3.91Å; L120-Y122 WeakPolarHBondContact O-CD2 3.46Å
123	F	86.8	Confident	78	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.026	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123	167.3	173.2	-136.8	0	0	0	108.9	N75 L76 F77 H104 L105 E106 R125	N75-F123 HydrophobicContact CB-CE2 3.94Å; L76-F123 WeakPolarHBondContact O-CA 3.47Å; F77-F123 HydrophobicContact CD1-CB 3.98Å; F77-F123 HydrophobicContact CD1-CD2 4.14Å; F77-F123 HydrophobicContact CD1-CG 4.33Å; F77-F123 HydrophobicContact CD2-CD2 4.35Å; F77-F123 HydrophobicContact CE1-CB 3.48Å; F77-F123 VanDerWaalsContact CE1-CB 3.48Å; F77-F123 HydrophobicContact CE1-CD1 4.37Å; F77-F123 AromaticContact CE1-CD2 3.42Å; F77-F123 HydrophobicContact CE1-CD2 3.42Å; F77-F123 VanDerWaalsContact CE1-CD2 3.42Å; F77-F123 HydrophobicContact CE1-CE2 4.28Å; F77-F123 AromaticContact CE1-CG 3.49Å; F77-F123 HydrophobicContact CE1-CG 3.49Å; F77-F123 VanDerWaalsContact CE1-CG 3.49Å; F77-F123 AromaticContact CE2-CD2 3.67Å; F77-F123 HydrophobicContact CE2-CD2 3.67Å; F77-F123 AromaticContact CE2-CE2 3.88Å; F77-F123 HydrophobicContact CE2-CE2 3.88Å; F77-F123 HydrophobicContact CZ-CB 4.11Å; F77-F123 HydrophobicContact CZ-CD1 4.3Å; F77-F123 AromaticContact CZ-CD2 3.1Å; F77-F123 HydrophobicContact CZ-CD2 3.1Å; F77-F123 AromaticContact CZ-CE2 3.51Å; F77-F123 HydrophobicContact CZ-CE2 3.51Å; F77-F123 AromaticContact CZ-CG 3.57Å; F77-F123 HydrophobicContact CZ-CG 3.57Å; F77-F123 HydrophobicContact CZ-CZ 4.25Å; H104-F123 AromaticContact CD2-CD1 3.59Å; H104-F123 AromaticContact CD2-CE1 3.58Å; L105-F123 WeakPolarHBondContact CA-O 3.44Å; E106-F123 HydrophobicContact CG-CB 3.76Å; E106-F123 HydrophobicContact CG-CD1 3.84Å; E106-F123 HydrophobicContact CG-CG 4.29Å; E106-F123 PolarHBondContact N-O 3.21Å; E106-F123 PolarHBondContact O-N 2.79Å; E106-F123 WeakPolarHBondContact OE1-CD1 3.26Å; F123-R125 HydrophobicContact CZ-CB 4.38Å
124	V	89.4	Confident	79.7	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.8	177	-176.9	0	0	0	0	109.1	L76 F78 F95 I102 H104 L105 C126	L76-V124 PolarHBondContact N-O 3.33Å; L76-V124 PolarHBondContact O-N 2.82Å; F78-V124 HydrophobicContact CE1-CB 4.36Å; F78-V124 HydrophobicContact CE1-CG2 3.71Å; F78-V124 HydrophobicContact CZ-CG2 3.97Å; F95-V124 HydrophobicContact CE1-CG1 3.99Å; F95-V124 HydrophobicContact CE2-CG1 4.39Å; F95-V124 HydrophobicContact CE2-CG2 4.4Å; F95-V124 HydrophobicContact CZ-CB 4.11Å; F95-V124 HydrophobicContact CZ-CG1 3.84Å; F95-V124 HydrophobicContact CZ-CG2 4.21Å; I102-V124 HydrophobicContact CD1-CG1 4.49Å; I102-V124 HydrophobicContact CG1-CG1 4.28Å; I102-V124 HydrophobicContact CG2-CG1 4.09Å; H104-V124 WeakPolarHBondContact O-CA 3.36Å; L105-V124 HydrophobicContact CD1-CG2 4.14Å; L105-V124 HydrophobicContact CG-CG2 4.24Å; V124-C126 HydrophobicContact CG1-CB 4.21Å
125	R	87.8	Confident	81.4	Confident	69 Å²	69	59 Å²	59	26%	0.26	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.6	165	-171.7	176.1	-176.8	-177.5	2.6	108	L73 L74 N75 H103 H104 F123	L73-R125 HydrophobicContact CD1-CG 4.19Å; L73-R125 VanDerWaalsContact CD2-NH2 3.25Å; L74-R125 VanDerWaalsContact O-CA 3.32Å; L74-R125 WeakPolarHBondContact O-CA 3.39Å; N75-R125 WeakPolarHBondContact OD1-CG 3.28Å; H103-R125 HydrophobicContact CB-CB 4.43Å; H103-R125 HydrophobicContact CB-CG 4.3Å; H103-R125 PolarHBondContact N-O 3.02Å; H104-R125 HydrophobicContact CB-CB 3.87Å; H104-R125 PolarHBondContact N-O 3.04Å; H104-R125 PolarHBondContact O-N 2.92Å; F123-R125 HydrophobicContact CZ-CB 4.38Å
126	C	90.3	Very high	83.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.1	-178.3	65.1	0	0	0	0	112.4	L74 F95 A100 K101 I102 V124	L74-C126 PolarHBondContact N-O 3.11Å; L74-C126 PolarHBondContact O-N 3.29Å; F95-C126 HydrophobicContact CD1-CB 4.47Å; F95-C126 HydrophobicContact CE1-CB 4.48Å; A100-C126 HydrophobicContact CB-CB 4.47Å; K101-C126 CarbonylContact O-C 3.48Å; K101-C126 WeakPolarHBondContact O-CA 3.41Å; I102-C126 HydrophobicContact CG1-CB 4.29Å; V124-C126 HydrophobicContact CG1-CB 4.21Å
127	E	92.1	Very high	85.2	Confident	46 Å²	46	46.3 Å²	46.3	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.6	173.8	177.5	-169.6	89.6	0	0	109	K71 A72 L73 A100 K101	K71-E127 HydrophobicContact CB-CG 3.89Å; K71-E127 HydrophobicContact CD-CG 3.65Å; K71-E127 WeakPolarHBondContact CD-OE1 3.45Å; K71-E127 HydrophobicContact CG-CG 4.41Å; K71-E127 IonicContact NZ-OE1 3.78Å; K71-E127 PolarHBondContact NZ-OE1 2.73Å; K71-E127 IonicContact NZ-OE2 2.92Å; A72-E127 WeakPolarHBondContact O-CA 3.47Å; L73-E127 HydrophobicContact CD1-CB 4.24Å; A100-E127 CarbonylContact C-O 3.53Å; A100-E127 VanDerWaalsContact CA-O 3.26Å; A100-E127 WeakPolarHBondContact CA-O 3.4Å; K101-E127 HydrophobicContact CB-CB 4.32Å; K101-E127 PolarHBondContact N-O 2.92Å; K101-E127 PolarHBondContact O-N 3.04Å
128	V	93.2	Very high	87.1	Confident	3 Å²	3	41 Å²	41	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.3	178.1	71	0	0	0	0	110	K71 A72 L74 F98 A100 D132 V133 L136	K71-V128 CarbonylContact C-O 3.59Å; K71-V128 WeakPolarHBondContact CA-O 3.39Å; A72-V128 HydrophobicContact CB-CG1 4.36Å; A72-V128 PolarHBondContact N-O 3.47Å; A72-V128 PolarHBondContact O-N 3.27Å; L74-V128 HydrophobicContact CD1-CG1 3.53Å; F98-V128 HydrophobicContact CB-CG2 4.13Å; A100-V128 HydrophobicContact CB-CB 4.29Å; A100-V128 HydrophobicContact CB-CG2 4.36Å; V128-D132 HydrophobicContact CG2-CB 3.85Å; V128-V133 HydrophobicContact CG1-CG2 3.79Å; V128-L136 HydrophobicContact CB-CD2 4.18Å; V128-L136 HydrophobicContact CG1-CD2 4.05Å; V128-L136 HydrophobicContact CG2-CD2 4.23Å
129	H	92.2	Very high	88.6	Confident	110 Å²	110	32 Å²	32	51%	0.509	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.4	173.4	-168.6	-94.7	0	0	0	111.2	S131 D132	H129-S131 PolarHBondContact ND1-N 3.3Å; H129-S131 PolarHBondContact ND1-OG 2.84Å; H129-S131 PolarHBondContact O-N 3.32Å; H129-S131 VanDerWaalsContact O-N 3.15Å; H129-D132 PolarHBondContact O-N 3.47Å
130	L	89.3	Confident	89.5	Confident	65 Å²	65	30.6 Å²	30.6	34%	0.34	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-57.3	-34.8	-172.4	-166.3	117.3	0	0	0	113.6	F65 E67 G70 D132 V133	F65-L130 HydrophobicContact CE2-CD1 3.71Å; F65-L130 HydrophobicContact CE2-CG 4.48Å; F65-L130 HydrophobicContact CZ-CD1 4.21Å; E67-L130 HydrophobicContact CB-CD1 4.27Å; E67-L130 HydrophobicContact CG-CD1 3.58Å; E67-L130 WeakPolarHBondContact OE2-CD1 3.48Å; G70-L130 WeakPolarHBondContact O-CB 3.32Å; G70-L130 PolarHBondContact O-N 2.8Å; G70-L130 VanDerWaalsContact O-N 3.15Å; L130-D132 PolarHBondContact O-N 3.47Å; L130-V133 WeakPolarHBondContact O-CG2 3.32Å
131	S	89.8	Confident	90	Very high	71 Å²	71	30.1 Å²	30.1	50%	0.497	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-63.6	-24.2	176.7	61.6	0	0	0	0	114.1	H129	H129-S131 PolarHBondContact ND1-N 3.3Å; H129-S131 PolarHBondContact ND1-OG 2.84Å; H129-S131 PolarHBondContact O-N 3.32Å; H129-S131 VanDerWaalsContact O-N 3.15Å
132	D	91.9	Very high	90.1	Very high	26 Å²	26	34.8 Å²	34.8	14%	0.139	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-99.8	-7.4	-167.8	-72.1	10.8	0	0	0	111.7	R47 F98 V128 H129 L130 S134 T135 L136	R47-D132 IonicContact CZ-OD2 2.61Å; R47-D132 IonicContact NH1-OD2 2.82Å; R47-D132 IonicContact NH2-OD2 3.81Å; R47-D132 PolarHBondContact NH2-OD2 2.83Å; F98-D132 HydrophobicContact CD1-CB 3.95Å; V128-D132 HydrophobicContact CG2-CB 3.85Å; H129-D132 PolarHBondContact O-N 3.47Å; L130-D132 PolarHBondContact O-N 3.47Å; D132-S134 PolarHBondContact O-N 2.93Å; D132-T135 PolarHBondContact O-N 2.79Å; D132-L136 VanDerWaalsContact O-CB 3.28Å; D132-L136 WeakPolarHBondContact O-CB 3.46Å; D132-L136 PolarHBondContact O-N 2.83Å
133	V	89.6	Confident	89.9	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-55	-53.6	-176.2	172	0	0	0	0	112.5	I63 F65 A72 L74 V128 L130 T135 L136 I137	I63-V133 HydrophobicContact CG2-CG1 3.7Å; F65-V133 HydrophobicContact CD1-CG1 3.89Å; F65-V133 HydrophobicContact CE1-CG1 3.99Å; A72-V133 HydrophobicContact CB-CG2 3.27Å; L74-V133 HydrophobicContact CD1-CG1 4.3Å; L74-V133 HydrophobicContact CD1-CG2 4.4Å; L74-V133 HydrophobicContact CD2-CG1 4.03Å; V128-V133 HydrophobicContact CG1-CG2 3.79Å; L130-V133 WeakPolarHBondContact O-CG2 3.32Å; V133-T135 VanDerWaalsContact C-N 3.3Å; V133-T135 PolarHBondContact O-N 2.97Å; V133-L136 PolarHBondContact O-N 2.78Å; V133-I137 HydrophobicContact CG1-CD1 3.89Å; V133-I137 WeakPolarHBondContact O-CD1 3.31Å; V133-I137 WeakPolarHBondContact O-CG1 3.19Å; V133-I137 PolarHBondContact O-N 2.79Å; V133-I137 VanDerWaalsContact O-N 3.08Å
134	S	89.6	Confident	89.9	Confident	50 Å²	50	35.1 Å²	35.1	35%	0.35	18%	0.176	S	C	.	.	H	α-helix	trans	-64	-40.1	-177.9	60.8	0	0	0	0	111	D132 I137 S138	D132-S134 PolarHBondContact O-N 2.93Å; S134-I137 PolarHBondContact O-N 3.46Å; S134-S138 WeakPolarHBondContact O-CB 3.39Å; S134-S138 PolarHBondContact O-N 2.99Å; S134-S138 PolarHBondContact O-OG 2.69Å; S134-S138 VanDerWaalsContact O-OG 3.11Å
135	T	90.9	Very high	89.7	Confident	18 Å²	18	39.4 Å²	39.4	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-71.3	-38.9	-178.8	-43.3	0	0	0	0	112.1	A50 F98 D132 V133 S139	A50-T135 HydrophobicContact CB-CG2 3.41Å; A50-T135 VanDerWaalsContact CB-CG2 3.41Å; F98-T135 HydrophobicContact CE1-CG2 3.53Å; F98-T135 HydrophobicContact CZ-CG2 3.64Å; D132-T135 PolarHBondContact O-N 2.79Å; V133-T135 VanDerWaalsContact C-N 3.3Å; V133-T135 PolarHBondContact O-N 2.97Å; T135-S139 WeakPolarHBondContact O-CB 3.4Å; T135-S139 PolarHBondContact O-N 3.38Å; T135-S139 PolarHBondContact O-OG 3.09Å
136	L	91.8	Very high	89.5	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-50.9	172.8	172.9	64.3	0	0	0	110.5	L74 V94 F95 F98 V128 D132 V133 S138 S139 I140	L74-L136 HydrophobicContact CD1-CD2 3.78Å; V94-L136 HydrophobicContact CG1-CD1 3.79Å; F95-L136 HydrophobicContact CD1-CD1 4.14Å; F95-L136 HydrophobicContact CE1-CD1 4.39Å; F98-L136 HydrophobicContact CB-CD1 4.08Å; F98-L136 HydrophobicContact CD1-CB 4.37Å; F98-L136 HydrophobicContact CD2-CB 4.03Å; F98-L136 HydrophobicContact CD2-CD1 3.48Å; F98-L136 VanDerWaalsContact CD2-CD1 3.48Å; F98-L136 HydrophobicContact CD2-CG 4.37Å; F98-L136 HydrophobicContact CE2-CB 4.44Å; F98-L136 HydrophobicContact CE2-CD1 4.27Å; F98-L136 HydrophobicContact CG-CB 4.03Å; F98-L136 HydrophobicContact CG-CD1 3.97Å; V128-L136 HydrophobicContact CB-CD2 4.18Å; V128-L136 HydrophobicContact CG1-CD2 4.05Å; V128-L136 HydrophobicContact CG2-CD2 4.23Å; D132-L136 VanDerWaalsContact O-CB 3.28Å; D132-L136 WeakPolarHBondContact O-CB 3.46Å; D132-L136 PolarHBondContact O-N 2.83Å; V133-L136 PolarHBondContact O-N 2.78Å; L136-S138 PolarHBondContact O-N 2.93Å; L136-S139 WeakPolarHBondContact O-CB 3.11Å; L136-S139 PolarHBondContact O-N 3.11Å; L136-S139 VanDerWaalsContact O-N 3.09Å; L136-I140 HydrophobicContact CD1-CD1 4.07Å; L136-I140 HydrophobicContact CD1-CG1 4.39Å; L136-I140 HydrophobicContact CG-CD1 4.14Å; L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 3.46Å
137	I	91.1	Very high	89.4	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-43.8	-179.1	-71	160.7	0	0	0	111	I63 L74 L76 V133 S134 S139 I140 K141 V147 T149	I63-I137 HydrophobicContact CB-CD1 4.13Å; I63-I137 HydrophobicContact CD1-CB 4.47Å; I63-I137 HydrophobicContact CD1-CD1 3.74Å; I63-I137 HydrophobicContact CD1-CG2 4.41Å; I63-I137 HydrophobicContact CG1-CD1 3.82Å; I63-I137 HydrophobicContact CG2-CD1 3.22Å; L74-I137 HydrophobicContact CD2-CD1 4.21Å; L76-I137 HydrophobicContact CD2-CG1 4.13Å; V133-I137 HydrophobicContact CG1-CD1 3.89Å; V133-I137 WeakPolarHBondContact O-CD1 3.31Å; V133-I137 WeakPolarHBondContact O-CG1 3.19Å; V133-I137 PolarHBondContact O-N 2.79Å; V133-I137 VanDerWaalsContact O-N 3.08Å; S134-I137 PolarHBondContact O-N 3.46Å; I137-S139 VanDerWaalsContact C-N 3.27Å; I137-S139 PolarHBondContact O-N 2.87Å; I137-I140 PolarHBondContact O-N 2.9Å; I137-K141 HydrophobicContact CG2-CD 4.28Å; I137-K141 HydrophobicContact CG2-CG 4.49Å; I137-K141 WeakPolarHBondContact O-CG 3.31Å; I137-K141 PolarHBondContact O-N 3.23Å; I137-V147 HydrophobicContact CG2-CG1 4.39Å; I137-T149 HydrophobicContact CD1-CG2 3.5Å; I137-T149 HydrophobicContact CG1-CG2 4.04Å
138	S	90.7	Very high	89.1	Confident	17 Å²	17	43.9 Å²	43.9	12%	0.119	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-39.1	173.5	-71.3	0	0	0	0	112.1	A50 A54 S134 L136 K141 R142	A50-S138 WeakPolarHBondContact O-CB 3.17Å; A54-S138 WeakPolarHBondContact CB-OG 3.33Å; S134-S138 WeakPolarHBondContact O-CB 3.39Å; S134-S138 PolarHBondContact O-N 2.99Å; S134-S138 PolarHBondContact O-OG 2.69Å; S134-S138 VanDerWaalsContact O-OG 3.11Å; L136-S138 PolarHBondContact O-N 2.93Å; S138-K141 PolarHBondContact O-N 3.31Å; S138-R142 WeakPolarHBondContact O-CG 3.47Å; S138-R142 PolarHBondContact O-N 3.39Å
139	S	90.7	Very high	88.7	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-40.8	176.4	-60.3	0	0	0	0	112.3	A50 F98 T135 L136 I137 R142	A50-S139 WeakPolarHBondContact CB-OG 3.45Å; F98-S139 VanDerWaalsContact CE2-OG 3.26Å; F98-S139 WeakPolarHBondContact CE2-OG 3.41Å; F98-S139 WeakPolarHBondContact CZ-OG 3.5Å; T135-S139 WeakPolarHBondContact O-CB 3.4Å; T135-S139 PolarHBondContact O-N 3.38Å; T135-S139 PolarHBondContact O-OG 3.09Å; L136-S139 WeakPolarHBondContact O-CB 3.11Å; L136-S139 PolarHBondContact O-N 3.11Å; L136-S139 VanDerWaalsContact O-N 3.09Å; I137-S139 VanDerWaalsContact C-N 3.27Å; I137-S139 PolarHBondContact O-N 2.87Å; S139-R142 WeakPolarHBondContact O-CB 3.45Å; S139-R142 PolarHBondContact O-N 3.32Å
140	I	89.8	Confident	87.8	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.6	-42	175	-63.7	171.6	0	0	0	110.6	L76 F78 V94 F95 L136 I137 R142 I143 A144 V147	L76-I140 HydrophobicContact CD1-CD1 3.66Å; F78-I140 HydrophobicContact CB-CG2 4.29Å; F78-I140 HydrophobicContact CD1-CG2 4.09Å; F78-I140 HydrophobicContact CG-CG2 4.06Å; V94-I140 HydrophobicContact CG1-CG1 3.82Å; F95-I140 HydrophobicContact CE1-CD1 3.82Å; F95-I140 HydrophobicContact CE2-CD1 4.4Å; F95-I140 HydrophobicContact CZ-CD1 3.61Å; L136-I140 HydrophobicContact CD1-CD1 4.07Å; L136-I140 HydrophobicContact CD1-CG1 4.39Å; L136-I140 HydrophobicContact CG-CD1 4.14Å; L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 3.46Å; I137-I140 PolarHBondContact O-N 2.9Å; I140-R142 PolarHBondContact O-N 3.25Å; I140-R142 VanDerWaalsContact O-N 3.12Å; I140-I143 WeakPolarHBondContact O-CG1 3.48Å; I140-I143 PolarHBondContact O-N 3.26Å; I140-A144 HydrophobicContact CG2-CB 4.11Å; I140-A144 WeakPolarHBondContact O-CB 3.47Å; I140-A144 PolarHBondContact O-N 3.49Å; I140-V147 HydrophobicContact CB-CG1 4.47Å; I140-V147 HydrophobicContact CG2-CG1 3.97Å; I140-V147 HydrophobicContact CG2-CG2 3.84Å
141	K	89.7	Confident	86.4	Confident	66 Å²	66	44.9 Å²	44.9	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-23.5	176.8	-76.1	-178.6	-175.6	-172.8	0	114	E61 R81 I137 S138 A144 V147	E61-K141 WeakPolarHBondContact OE2-CE 3.4Å; E61-K141 IonicContact OE2-NZ 2.61Å; E61-K141 PolarHBondContact OE2-NZ 3.42Å; R81-K141 PolarHBondContact NH2-O 2.91Å; R81-K141 VanDerWaalsContact NH2-O 3.15Å; I137-K141 HydrophobicContact CG2-CD 4.28Å; I137-K141 HydrophobicContact CG2-CG 4.49Å; I137-K141 WeakPolarHBondContact O-CG 3.31Å; I137-K141 PolarHBondContact O-N 3.23Å; S138-K141 PolarHBondContact O-N 3.31Å; K141-A144 VanDerWaalsContact O-O 3.08Å; K141-V147 HydrophobicContact CB-CG2 4.38Å; K141-V147 HydrophobicContact CG-CB 3.72Å; K141-V147 HydrophobicContact CG-CG1 4.15Å; K141-V147 HydrophobicContact CG-CG2 3.73Å
142	R	86.6	Confident	84.7	Confident	137 Å²	137	47.8 Å²	47.8	52%	0.517	23%	0.231	S	C	.	.	H	α-helix	trans	-73.7	-27.4	175.2	-70.2	173.7	65.7	-166.5	-2	113.3	S138 S139 I140	S138-R142 WeakPolarHBondContact O-CG 3.47Å; S138-R142 PolarHBondContact O-N 3.39Å; S139-R142 WeakPolarHBondContact O-CB 3.45Å; S139-R142 PolarHBondContact O-N 3.32Å; I140-R142 PolarHBondContact O-N 3.25Å; I140-R142 VanDerWaalsContact O-N 3.12Å
143	I	85.4	Confident	82.9	Confident	40 Å²	40	49.7 Å²	49.7	21%	0.205	24%	0.243	C	C	.	.	H	α-helix	trans	-112.4	-15.4	-174.8	60.1	167.8	0	0	0	113.6	R81 V94 I140	R81-I143 PolarHBondContact N-O 3.13Å; V94-I143 HydrophobicContact CG2-CD1 3.75Å; I140-I143 WeakPolarHBondContact O-CG1 3.48Å; I140-I143 PolarHBondContact O-N 3.26Å
144	A	87	Confident	81.3	Confident	1 Å²	1	52 Å²	52	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	169	-178.2	0	0	0	0	0	111.4	F78 T79 L80 R81 I140 K141 V147	F78-A144 HydrophobicContact CB-CB 3.8Å; F78-A144 HydrophobicContact CD2-CB 3.76Å; F78-A144 HydrophobicContact CG-CB 4.09Å; T79-A144 CarbonylContact O-C 3.56Å; T79-A144 VanDerWaalsContact O-CA 3.31Å; T79-A144 WeakPolarHBondContact O-CA 3.25Å; T79-A144 WeakPolarHBondContact O-CB 3.34Å; L80-A144 HydrophobicContact CD2-CB 4.44Å; R81-A144 PolarHBondContact NE-O 2.66Å; R81-A144 PolarHBondContact NH2-O 2.83Å; I140-A144 HydrophobicContact CG2-CB 4.11Å; I140-A144 WeakPolarHBondContact O-CB 3.47Å; I140-A144 PolarHBondContact O-N 3.49Å; K141-A144 VanDerWaalsContact O-O 3.08Å; A144-V147 HydrophobicContact CB-CG2 3.99Å
145	E	85.3	Confident	80.3	Confident	90 Å²	90	52.8 Å²	52.8	42%	0.421	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	163.4	172.8	-74.9	169.9	-159.4	0	0	109.3	T79 R81 V147	T79-E145 PolarHBondContact N-O 2.66Å; T79-E145 PolarHBondContact O-N 2.88Å; R81-E145 HydrophobicContact CG-CG 3.72Å; R81-E145 WeakPolarHBondContact CG-OE1 3.45Å; R81-E145 IonicContact NE-OE1 2.75Å; E145-V147 PolarHBondContact O-N 2.81Å; E145-V147 VanDerWaalsContact O-N 3.13Å
146	D	83.2	Confident	79.7	Confident	82 Å²	82	53.2 Å²	53.2	44%	0.439	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.2	33.1	178.4	-62.3	-45.8	0	0	0	114.1	K148	D146-K148 WeakPolarHBondContact O-CG 3.4Å; D146-K148 PolarHBondContact O-N 2.93Å; D146-K148 VanDerWaalsContact O-N 3.14Å
147	V	87.5	Confident	79.4	Confident	10 Å²	10	57.3 Å²	57.3	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	113	-179.1	-174.1	0	0	0	0	109.9	F77 F78 I137 I140 K141 A144 E145	F77-V147 CarbonylContact O-C 3.56Å; F77-V147 VanDerWaalsContact O-CA 3.25Å; F77-V147 WeakPolarHBondContact O-CA 3.41Å; F78-V147 HydrophobicContact CB-CB 4.49Å; F78-V147 HydrophobicContact CB-CG2 3.96Å; I137-V147 HydrophobicContact CG2-CG1 4.39Å; I140-V147 HydrophobicContact CB-CG1 4.47Å; I140-V147 HydrophobicContact CG2-CG1 3.97Å; I140-V147 HydrophobicContact CG2-CG2 3.84Å; K141-V147 HydrophobicContact CB-CG2 4.38Å; K141-V147 HydrophobicContact CG-CB 3.72Å; K141-V147 HydrophobicContact CG-CG1 4.15Å; K141-V147 HydrophobicContact CG-CG2 3.73Å; A144-V147 HydrophobicContact CB-CG2 3.99Å; E145-V147 PolarHBondContact O-N 2.81Å; E145-V147 VanDerWaalsContact O-N 3.13Å
148	K	86.8	Confident	79.3	Confident	118 Å²	118	57.4 Å²	57.4	51%	0.513	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.7	-179.1	-68.6	167.2	-169.9	170.1	0	110.2	L76 F77 D146	L76-K148 WeakPolarHBondContact CA-O 3.25Å; F77-K148 HydrophobicContact CB-CB 4.4Å; F77-K148 PolarHBondContact N-O 2.94Å; F77-K148 PolarHBondContact O-N 2.91Å; D146-K148 WeakPolarHBondContact O-CG 3.4Å; D146-K148 PolarHBondContact O-N 2.93Å; D146-K148 VanDerWaalsContact O-N 3.14Å
149	T	83	Confident	79.4	Confident	24 Å²	24	56.6 Å²	56.6	15%	0.147	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.4	168.5	61.9	0	0	0	0	107.9	I63 V64 L74 N75 L76 I137	I63-T149 WeakPolarHBondContact CA-OG1 3.44Å; I63-T149 HydrophobicContact CG2-CG2 4.25Å; V64-T149 PolarHBondContact N-OG1 3.13Å; V64-T149 WeakPolarHBondContact O-CB 3.44Å; L74-T149 HydrophobicContact CD2-CG2 4.34Å; N75-T149 WeakPolarHBondContact O-CA 3.34Å; L76-T149 HydrophobicContact CD2-CG2 3.4Å; I137-T149 HydrophobicContact CD1-CG2 3.5Å; I137-T149 HydrophobicContact CG1-CG2 4.04Å
150	T	73.4	Confident	79.4	Confident	28 Å²	28	60.8 Å²	60.8	17%	0.172	28%	0.278	C	S	.	.			trans	-145	144.8	179.8	-176.5	0	0	0	0	111.7	N75 F77 E152	N75-T150 HydrophobicContact CB-CG2 4.13Å; N75-T150 PolarHBondContact ND2-O 3.42Å; N75-T150 PolarHBondContact O-N 3.41Å; F77-T150 HydrophobicContact CD2-CG2 4.1Å; F77-T150 HydrophobicContact CE2-CG2 3.66Å; T150-E152 HydrophobicContact CG2-CB 4.13Å; T150-E152 WeakPolarHBondContact CG2-O 3.42Å; T150-E152 VanDerWaalsContact OG1-CB 3.28Å; T150-E152 WeakPolarHBondContact OG1-CB 3.49Å; T150-E152 PolarHBondContact OG1-N 3.28Å
151	K	61.6	Low	79.6	Confident	147 Å²	147	66.6 Å²	66.6	64%	0.639	30%	0.304	S	S	*	.	S	Bend	trans	-73.6	-18.9	166.1	-111.4	161.7	-163.8	-166.7	0	111.3	V64 V153	V64-K151 HydrophobicContact CG1-CB 3.45Å; V64-K151 VanDerWaalsContact CG1-CB 3.45Å; V64-K151 HydrophobicContact CG1-CD 3.57Å; V64-K151 HydrophobicContact CG1-CG 3.25Å; K151-V153 VanDerWaalsContact C-N 3.34Å; K151-V153 PolarHBondContact O-N 3.14Å
152	E	53	Low	79.9	Confident	131 Å²	131	64.4 Å²	64.4	61%	0.612	30%	0.295	S	S	*	.			trans	-61.8	104.4	173.4	-67.9	-176.1	159.2	0	0	107.4	T150 K154	T150-E152 HydrophobicContact CG2-CB 4.13Å; T150-E152 WeakPolarHBondContact CG2-O 3.42Å; T150-E152 VanDerWaalsContact OG1-CB 3.28Å; T150-E152 WeakPolarHBondContact OG1-CB 3.49Å; T150-E152 PolarHBondContact OG1-N 3.28Å; E152-K154 PolarHBondContact O-N 2.82Å
153	V	53.8	Low	80.3	Confident	66 Å²	66	60.7 Å²	60.7	40%	0.4	29%	0.29	S	S	.	.			trans	-56.5	89.6	153	-176.5	0	0	0	0	104.5	K151 F155	K151-V153 VanDerWaalsContact C-N 3.34Å; K151-V153 PolarHBondContact O-N 3.14Å; V153-F155 PolarHBondContact O-N 3.13Å
154	K	57.1	Low	80.7	Confident	54 Å²	54	60.6 Å²	60.6	24%	0.235	29%	0.289	C	S	.	.			trans	-62.1	104.7	166.5	-73.1	-152.2	-163.3	150.9	0	103.5	F77 E152	F77-K154 VanDerWaalsContact CD1-NZ 3.26Å; F77-K154 HydrophobicContact CE1-CD 3.68Å; F77-K154 HydrophobicContact CE2-CD 3.9Å; F77-K154 HydrophobicContact CE2-CG 4.12Å; F77-K154 HydrophobicContact CZ-CB 4.11Å; F77-K154 HydrophobicContact CZ-CD 3.19Å; F77-K154 HydrophobicContact CZ-CG 3.65Å; E152-K154 PolarHBondContact O-N 2.82Å
155	F	67.8	Low	81	Confident	67 Å²	67	60.5 Å²	60.5	29%	0.294	29%	0.288	S	S	.	.			trans	-44.6	147.3	170	53.9	-86.5	0	0	0	109.2	V153 W157 F158 F447	V153-F155 PolarHBondContact O-N 3.13Å; F155-W157 PolarHBondContact O-N 3.29Å; F155-F158 AromaticContact CD2-CD1 3.83Å; F155-F158 HydrophobicContact CD2-CD1 3.83Å; F155-F158 AromaticContact CD2-CE1 3.46Å; F155-F158 HydrophobicContact CD2-CE1 3.46Å; F155-F158 VanDerWaalsContact CD2-CE1 3.46Å; F155-F158 AromaticContact CE2-CD1 3.93Å; F155-F158 HydrophobicContact CE2-CD1 3.93Å; F155-F158 AromaticContact CE2-CE1 3.36Å; F155-F158 HydrophobicContact CE2-CE1 3.36Å; F155-F158 HydrophobicContact CE2-CZ 4.16Å; F155-F158 HydrophobicContact CZ-CE1 4.43Å; F155-F447 HydrophobicContact CB-CE1 3.69Å; F155-F447 HydrophobicContact CB-CZ 3.79Å; F155-F447 HydrophobicContact CD1-CD1 4.27Å; F155-F447 AromaticContact CD1-CE1 3.33Å; F155-F447 HydrophobicContact CD1-CE1 3.33Å; F155-F447 HydrophobicContact CD1-CZ 4.03Å; F155-F447 AromaticContact CD2-CE1 3.87Å; F155-F447 HydrophobicContact CD2-CE1 3.87Å; F155-F447 AromaticContact CD2-CZ 3.68Å; F155-F447 HydrophobicContact CD2-CZ 3.68Å; F155-F447 HydrophobicContact CE1-CD1 4.48Å; F155-F447 AromaticContact CE1-CE1 3.8Å; F155-F447 HydrophobicContact CE1-CE1 3.8Å; F155-F447 HydrophobicContact CE1-CZ 4.49Å; F155-F447 HydrophobicContact CE2-CE1 4.31Å; F155-F447 HydrophobicContact CE2-CZ 4.21Å; F155-F447 AromaticContact CG-CE1 3.35Å; F155-F447 HydrophobicContact CG-CE1 3.35Å; F155-F447 AromaticContact CG-CZ 3.56Å; F155-F447 HydrophobicContact CG-CZ 3.56Å; F155-F447 HydrophobicContact CZ-CE1 4.26Å
156	H	79.1	Confident	81.3	Confident	27 Å²	27	58 Å²	58	13%	0.125	28%	0.278	C	S	.	.			trans	-52.2	133.6	175.9	-70.3	-93.2	0	0	0	108.9	A350 E352	H156-A350 PolarHBondContact CD2-O 3.34Å; H156-A350 VanDerWaalsContact CD2-O 3.29Å; H156-E352 IonicContact CE1-OE1 2.69Å; H156-E352 PolarHBondContact CE1-OE1 3.48Å; H156-E352 IonicContact ND1-OE1 2.75Å; H156-E352 PolarHBondContact ND1-OE1 2.74Å
157	W	84	Confident	81.3	Confident	85 Å²	85	62.4 Å²	62.4	32%	0.322	29%	0.288	S	S	.	.			trans	-55.6	144.9	179.2	175.3	90.8	0	0	0	110	F155 P159	F155-W157 PolarHBondContact O-N 3.29Å; W157-P159 HydrophobicContact CH2-CB 4.08Å; W157-P159 HydrophobicContact CH2-CG 4.45Å; W157-P159 HydrophobicContact CZ2-CB 4.47Å
158	F	90.5	Very high	80.7	Confident	6 Å²	6	62.2 Å²	62.2	3%	0.026	29%	0.287	C	S	.	.			trans	-146	151.4	172.4	62.3	-94.1	0	0	0	110	F155 K160 L348 F447 V449 I458 V460	F155-F158 AromaticContact CD2-CD1 3.83Å; F155-F158 HydrophobicContact CD2-CD1 3.83Å; F155-F158 AromaticContact CD2-CE1 3.46Å; F155-F158 HydrophobicContact CD2-CE1 3.46Å; F155-F158 VanDerWaalsContact CD2-CE1 3.46Å; F155-F158 AromaticContact CE2-CD1 3.93Å; F155-F158 HydrophobicContact CE2-CD1 3.93Å; F155-F158 AromaticContact CE2-CE1 3.36Å; F155-F158 HydrophobicContact CE2-CE1 3.36Å; F155-F158 HydrophobicContact CE2-CZ 4.16Å; F155-F158 HydrophobicContact CZ-CE1 4.43Å; F158-K160 HydrophobicContact CE2-CG 4.2Å; F158-L348 HydrophobicContact CB-CB 4.34Å; F158-L348 HydrophobicContact CB-CD2 4.03Å; F158-L348 HydrophobicContact CD1-CB 4.32Å; F158-L348 HydrophobicContact CD2-CB 3.96Å; F158-L348 HydrophobicContact CD2-CD1 4.19Å; F158-L348 HydrophobicContact CD2-CD2 4.23Å; F158-L348 HydrophobicContact CD2-CG 4.36Å; F158-L348 HydrophobicContact CE2-CB 4.32Å; F158-L348 HydrophobicContact CE2-CD1 4.43Å; F158-L348 HydrophobicContact CG-CB 3.97Å; F158-L348 HydrophobicContact CG-CD2 4.36Å; F158-F447 AromaticContact CE1-CE2 3.86Å; F158-F447 HydrophobicContact CE1-CE2 3.86Å; F158-F447 AromaticContact CE1-CZ 3.72Å; F158-F447 HydrophobicContact CE1-CZ 3.72Å; F158-F447 HydrophobicContact CZ-CE2 4.07Å; F158-F447 HydrophobicContact CZ-CZ 4.31Å; F158-V449 HydrophobicContact CZ-CG1 4.27Å; F158-I458 HydrophobicContact CE2-CG2 3.99Å; F158-V460 HydrophobicContact CE2-CG2 4.18Å; F158-V460 HydrophobicContact CZ-CG2 3.73Å
159	P	91.6	Very high	79.8	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	29%	0.291	C	S	.	.			trans	-64.2	135.6	176.9	23.8	-31.4	0	0	0	110.8	W157 E164 L165 A293 F297	W157-P159 HydrophobicContact CH2-CB 4.08Å; W157-P159 HydrophobicContact CH2-CG 4.45Å; W157-P159 HydrophobicContact CZ2-CB 4.47Å; P159-E164 WeakPolarHBondContact CA-OE2 3.37Å; P159-E164 HydrophobicContact CB-CB 3.77Å; P159-L165 HydrophobicContact CB-CD2 4.16Å; P159-L165 HydrophobicContact CG-CD2 3.71Å; P159-A293 HydrophobicContact CG-CB 4.15Å; P159-F297 HydrophobicContact CB-CE2 4.16Å; P159-F297 HydrophobicContact CB-CZ 4.29Å; P159-F297 HydrophobicContact CG-CE2 3.89Å; P159-F297 HydrophobicContact CG-CZ 4.49Å; P159-F297 VanDerWaalsContact O-CZ 3.27Å; P159-F297 WeakPolarHBondContact O-CZ 3.49Å
160	K	91.5	Very high	78.9	Confident	96 Å²	96	63.8 Å²	63.8	42%	0.417	29%	0.294	S	S	.	.	S	Bend	trans	-102.8	-20.7	178.6	-68.4	-175.9	178.4	-174.7	0	113.7	F158 E164 S457 I458	F158-K160 HydrophobicContact CE2-CG 4.2Å; K160-E164 PolarHBondContact N-OE2 2.96Å; K160-S457 CarbonylContact O-C 3.15Å; K160-S457 VanDerWaalsContact O-CA 3.29Å; K160-S457 WeakPolarHBondContact O-CA 3.47Å; K160-S457 WeakPolarHBondContact O-CB 3.26Å; K160-I458 PolarHBondContact O-N 2.76Å
161	K	93.8	Very high	78.3	Confident	123 Å²	123	65.9 Å²	65.9	54%	0.535	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-124.8	148.7	175.7	-63.3	-177.4	177.9	-175	0	108.5	S163 E164 F297	K161-S163 PolarHBondContact O-N 2.91Å; K161-S163 VanDerWaalsContact O-N 3.15Å; K161-E164 HydrophobicContact CB-CG 4.23Å; K161-E164 VanDerWaalsContact O-CB 3.31Å; K161-E164 WeakPolarHBondContact O-CB 3.28Å; K161-E164 PolarHBondContact O-N 2.99Å; K161-F297 VanDerWaalsContact C-CE1 3.46Å
162	I	96.3	Very high	78.2	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.097	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.4	-33.1	179.5	-164.6	163.2	0	0	0	113.5	E164 L165 Q207 F297 V299 Y456	I162-E164 PolarHBondContact O-N 3.2Å; I162-L165 HydrophobicContact CG1-CD1 4.23Å; I162-L165 VanDerWaalsContact O-CB 3.31Å; I162-L165 WeakPolarHBondContact O-CB 3.36Å; I162-L165 VanDerWaalsContact O-CG 3.31Å; I162-L165 WeakPolarHBondContact O-CG 3.41Å; I162-L165 PolarHBondContact O-N 2.91Å; I162-Q207 HydrophobicContact CG1-CG 4.5Å; I162-Q207 HydrophobicContact CG2-CG 4.14Å; I162-F297 HydrophobicContact CB-CD1 3.82Å; I162-F297 HydrophobicContact CB-CE1 4.38Å; I162-F297 HydrophobicContact CB-CG 4.47Å; I162-F297 HydrophobicContact CD1-CB 4.26Å; I162-F297 HydrophobicContact CG1-CB 4.18Å; I162-F297 HydrophobicContact CG1-CD1 4.23Å; I162-F297 HydrophobicContact CG1-CG 4.42Å; I162-V299 HydrophobicContact CD1-CG2 3.78Å; I162-V299 HydrophobicContact CG1-CG2 3.99Å; I162-Y456 HydrophobicContact CD1-CD1 3.96Å; I162-Y456 HydrophobicContact CD1-CG 4.42Å; I162-Y456 PolarHBondContact N-O 3.34Å; I162-Y456 VanDerWaalsContact N-O 3.08Å
163	S	94.6	Very high	78.3	Confident	59 Å²	59	60.1 Å²	60.1	41%	0.413	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-70.5	-16.5	175.8	56.1	0	0	0	0	114.1	K161 L165 D166	K161-S163 PolarHBondContact O-N 2.91Å; K161-S163 VanDerWaalsContact O-N 3.15Å; S163-L165 PolarHBondContact O-N 3.49Å; S163-D166 WeakPolarHBondContact O-CB 3.31Å; S163-D166 PolarHBondContact O-N 3.48Å
164	E	93	Very high	78.7	Confident	38 Å²	38	61.6 Å²	61.6	18%	0.178	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-73.4	-12.5	173.9	-64.7	177.1	-171.8	0	0	112.2	P159 K160 K161 I162 D166 R167	P159-E164 WeakPolarHBondContact CA-OE2 3.37Å; P159-E164 HydrophobicContact CB-CB 3.77Å; K160-E164 PolarHBondContact N-OE2 2.96Å; K161-E164 HydrophobicContact CB-CG 4.23Å; K161-E164 VanDerWaalsContact O-CB 3.31Å; K161-E164 WeakPolarHBondContact O-CB 3.28Å; K161-E164 PolarHBondContact O-N 2.99Å; I162-E164 PolarHBondContact O-N 3.2Å; E164-D166 PolarHBondContact O-N 3.41Å; E164-R167 WeakPolarHBondContact O-CB 3.43Å; E164-R167 PolarHBondContact O-N 2.94Å
165	L	93.4	Very high	79.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-63.2	-18.9	168.7	-60.4	178.3	0	0	0	112.4	P159 I162 S163 R167 C168 F297 V299	P159-L165 HydrophobicContact CB-CD2 4.16Å; P159-L165 HydrophobicContact CG-CD2 3.71Å; I162-L165 HydrophobicContact CG1-CD1 4.23Å; I162-L165 VanDerWaalsContact O-CB 3.31Å; I162-L165 WeakPolarHBondContact O-CB 3.36Å; I162-L165 VanDerWaalsContact O-CG 3.31Å; I162-L165 WeakPolarHBondContact O-CG 3.41Å; I162-L165 PolarHBondContact O-N 2.91Å; S163-L165 PolarHBondContact O-N 3.49Å; L165-R167 PolarHBondContact O-N 3.38Å; L165-R167 VanDerWaalsContact O-N 3.14Å; L165-C168 WeakPolarHBondContact O-CB 3.23Å; L165-C168 PolarHBondContact O-N 3.31Å; L165-F297 HydrophobicContact CD1-CB 4.3Å; L165-F297 HydrophobicContact CD1-CD2 4.26Å; L165-F297 HydrophobicContact CD1-CG 4.36Å; L165-F297 HydrophobicContact CD2-CD2 4.23Å; L165-F297 HydrophobicContact CD2-CE2 4.43Å; L165-F297 HydrophobicContact CG-CD2 4.47Å; L165-V299 HydrophobicContact CD1-CB 3.86Å; L165-V299 HydrophobicContact CD1-CG1 4.05Å; L165-V299 HydrophobicContact CD1-CG2 3.77Å
166	D	91.7	Very high	79.5	Confident	38 Å²	38	58.7 Å²	58.7	20%	0.203	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63.4	-12.3	169.8	-68.8	-18.4	0	0	0	113.3	S163 E164 K206 Q207 R280	S163-D166 WeakPolarHBondContact O-CB 3.31Å; S163-D166 PolarHBondContact O-N 3.48Å; E164-D166 PolarHBondContact O-N 3.41Å; D166-K206 HydrophobicContact CB-CD 4.12Å; D166-K206 WeakPolarHBondContact OD2-CD 3.46Å; D166-Q207 PolarHBondContact OD1-N 2.95Å; D166-Q207 PolarHBondContact OD2-N 3.14Å; D166-R280 IonicContact OD1-CZ 3.54Å; D166-R280 IonicContact OD1-NH1 3.4Å; D166-R280 PolarHBondContact OD1-NH1 2.88Å; D166-R280 IonicContact OD1-NH2 3.33Å; D166-R280 PolarHBondContact OD1-NH2 3.36Å
167	R	84.1	Confident	79.1	Confident	173 Å²	173	57.4 Å²	57.4	65%	0.653	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-104.7	-3.2	179.6	-54.8	178.3	-179.1	167.3	0.4	113.3	E164 L165	E164-R167 WeakPolarHBondContact O-CB 3.43Å; E164-R167 PolarHBondContact O-N 2.94Å; L165-R167 PolarHBondContact O-N 3.38Å; L165-R167 VanDerWaalsContact O-N 3.14Å
168	C	75.1	Confident	78.8	Confident	6 Å²	6	57.3 Å²	57.3	4%	0.041	28%	0.277	C	S	.	.	S	Bend	trans	-61.4	144.9	174.9	-75.6	0	0	0	0	110.1	L165 H170 D290	L165-C168 WeakPolarHBondContact O-CB 3.23Å; L165-C168 PolarHBondContact O-N 3.31Å; C168-H170 PolarHBondContact O-N 3.39Å; C168-D290 HydrophobicContact CB-CB 3.97Å; C168-D290 PolarHBondContact SG-OD1 3.04Å
169	H	67.8	Low	78.1	Confident	128 Å²	128	62.2 Å²	62.2	59%	0.593	30%	0.303	S	S	*	.			trans	-78.6	114.5	-175.2	-65.9	86.5	0	0	0	109.7	L171 L286 D290	H169-L171 HydrophobicContact CB-CD2 4.31Å; H169-L171 HydrophobicContact CB-CG 4.05Å; H169-L171 PolarHBondContact O-N 2.85Å; H169-L286 VanDerWaalsContact O-CD2 3.28Å; H169-L286 WeakPolarHBondContact O-CD2 3.44Å; H169-D290 PolarHBondContact N-OD2 3.05Å; H169-D290 IonicContact ND1-OD2 3.71Å
170	H	64.5	Low	77.6	Confident	47 Å²	47	64 Å²	64	22%	0.218	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-72	93.6	165.5	-64	-68.6	0	0	0	108.8	C168 I172 F203	C168-H170 PolarHBondContact O-N 3.39Å; H170-I172 PolarHBondContact O-N 3.2Å; H170-F203 HydrophobicContact CB-CD1 4.31Å; H170-F203 HydrophobicContact CB-CE1 3.56Å; H170-F203 HydrophobicContact CB-CZ 4.17Å; H170-F203 AromaticContact CD2-CD1 4Å; H170-F203 AromaticContact CG-CE1 4Å
171	L	59.5	Low	77.2	Confident	72 Å²	72	67 Å²	67	38%	0.377	33%	0.329	S	S	.	.			trans	-93.4	83.9	-179.5	-70.3	178	0	0	0	110.6	H169 T173 L285	H169-L171 HydrophobicContact CB-CD2 4.31Å; H169-L171 HydrophobicContact CB-CG 4.05Å; H169-L171 PolarHBondContact O-N 2.85Å; L171-T173 VanDerWaalsContact C-N 3.27Å; L171-T173 HydrophobicContact CB-CG2 4.13Å; L171-T173 PolarHBondContact O-N 2.86Å; L171-T173 PolarHBondContact O-OG1 3.09Å; L171-L285 CarbonylContact C-O 3.58Å; L171-L285 PolarHBondContact N-O 3.4Å
172	I	60.5	Low	76.8	Confident	57 Å²	57	69.7 Å²	69.7	29%	0.292	34%	0.343	S	S	.	.			trans	-74.9	87.2	169	-52.2	178	0	0	0	108.2	H170 D176 F203 A283	H170-I172 PolarHBondContact O-N 3.2Å; I172-D176 HydrophobicContact CG2-CB 3.63Å; I172-D176 WeakPolarHBondContact CG2-OD2 3.25Å; I172-F203 HydrophobicContact CD1-CE2 3.75Å; I172-F203 HydrophobicContact CD1-CZ 3.59Å; I172-F203 HydrophobicContact CG1-CZ 4.33Å; I172-A283 HydrophobicContact CD1-CB 3.97Å; I172-A283 HydrophobicContact CG1-CB 4.42Å
173	T	55.3	Low	76.3	Confident	100 Å²	100	69.1 Å²	69.1	61%	0.613	34%	0.34	S	S	*	.			trans	-120.8	-24.8	-174.6	51.3	0	0	0	0	113.5	L171	L171-T173 VanDerWaalsContact C-N 3.27Å; L171-T173 HydrophobicContact CB-CG2 4.13Å; L171-T173 PolarHBondContact O-N 2.86Å; L171-T173 PolarHBondContact O-OG1 3.09Å
174	K	62	Low	76.1	Confident	98 Å²	98	68.3 Å²	68.3	43%	0.426	33%	0.333	S	S	.	.	S	Bend	trans	-136.8	148.2	-177.6	-161.2	-179.8	-179.5	-173.7	0	109.4	D176 L285 D416	K174-D176 PolarHBondContact O-N 3.5Å; K174-L285 HydrophobicContact CB-CD1 4.32Å; K174-D416 IonicContact NZ-OD1 3.1Å; K174-D416 IonicContact NZ-OD2 3.54Å; K174-D416 PolarHBondContact NZ-OD2 3.02Å
175	F	65.4	Low	76	Confident	27 Å²	27	66.5 Å²	66.5	12%	0.118	32%	0.324	C	S	.	.	S	Bend	trans	64.2	11.2	177.6	-43.4	-61.8	0	0	0	116.7	P177 L285 P316 E317	F175-P177 WeakPolarHBondContact O-CD 3.46Å; F175-L285 HydrophobicContact CD2-CD1 3.67Å; F175-L285 HydrophobicContact CD2-CG 4.46Å; F175-L285 HydrophobicContact CE2-CD1 3.73Å; F175-P316 HydrophobicContact CD1-CB 3.94Å; F175-P316 HydrophobicContact CD1-CG 4.49Å; F175-P316 HydrophobicContact CE1-CB 3.97Å; F175-P316 WeakPolarHBondContact CE1-O 3.2Å; F175-P316 VanDerWaalsContact CZ-O 3.29Å; F175-P316 WeakPolarHBondContact CZ-O 3.31Å; F175-E317 HydrophobicContact CB-CB 3.8Å; F175-E317 HydrophobicContact CD2-CB 4.49Å; F175-E317 HydrophobicContact CG-CB 4.24Å; F175-E317 VanDerWaalsContact O-OE2 3.06Å
176	D	75.1	Confident	75.8	Confident	32 Å²	32	69.6 Å²	69.6	17%	0.171	34%	0.338	C	S	.	.			trans	-72.5	124.7	167.5	-170.4	-29.7	0	0	0	108.8	I172 K174 D178 L179 D180	I172-D176 HydrophobicContact CG2-CB 3.63Å; I172-D176 WeakPolarHBondContact CG2-OD2 3.25Å; K174-D176 PolarHBondContact O-N 3.5Å; D176-D178 PolarHBondContact O-N 3.38Å; D176-D178 VanDerWaalsContact O-N 3.08Å; D176-D178 WeakPolarHBondContact OD1-CB 3.39Å; D176-D178 PolarHBondContact OD1-N 2.8Å; D176-L179 HydrophobicContact CB-CB 4.2Å; D176-L179 HydrophobicContact CB-CD1 4.06Å; D176-L179 HydrophobicContact CB-CG 4.05Å; D176-L179 WeakPolarHBondContact O-CA 3.41Å; D176-L179 PolarHBondContact O-N 2.95Å; D176-D180 PolarHBondContact O-N 2.94Å
177	P	71.9	Confident	75.8	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-11.6	175.9	26.8	-37.1	0	0	0	114.2	F175 H183 F186 Y191 R192 R195	F175-P177 WeakPolarHBondContact O-CD 3.46Å; P177-H183 HydrophobicContact CB-CB 4.47Å; P177-F186 WeakPolarHBondContact O-CD2 3.17Å; P177-Y191 HydrophobicContact CB-CD1 4.5Å; P177-Y191 HydrophobicContact CG-CD1 4.31Å; P177-Y191 HydrophobicContact CG-CE1 4.24Å; P177-R192 HydrophobicContact CB-CG 3.83Å; P177-R192 HydrophobicContact CG-CG 3.98Å; P177-R195 HydrophobicContact CG-CB 4.42Å; P177-R195 HydrophobicContact CG-CG 4.1Å
178	D	76.8	Confident	76.3	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.444	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-17.8	167.8	-80.8	-41	0	0	0	113.2	D176 R192	D176-D178 PolarHBondContact O-N 3.38Å; D176-D178 VanDerWaalsContact O-N 3.08Å; D176-D178 WeakPolarHBondContact OD1-CB 3.39Å; D176-D178 PolarHBondContact OD1-N 2.8Å; D178-R192 WeakPolarHBondContact OD1-CD 3.38Å; D178-R192 IonicContact OD1-CZ 3.58Å; D178-R192 IonicContact OD1-NH1 2.81Å; D178-R192 PolarHBondContact OD1-NH1 3.31Å; D178-R192 VanDerWaalsContact OD1-NH1 3.1Å
179	L	75.9	Confident	77.2	Confident	110 Å²	110	70.7 Å²	70.7	58%	0.576	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-27.2	-175	-59.3	179.1	0	0	0	113.8	D176	D176-L179 HydrophobicContact CB-CB 4.2Å; D176-L179 HydrophobicContact CB-CD1 4.06Å; D176-L179 HydrophobicContact CB-CG 4.05Å; D176-L179 WeakPolarHBondContact O-CA 3.41Å; D176-L179 PolarHBondContact O-N 2.95Å
180	D	80.6	Confident	78.6	Confident	39 Å²	39	69.9 Å²	69.9	21%	0.209	37%	0.369	C	S	.	.			trans	-107.5	110.3	-173.3	-173.7	-5.8	0	0	0	112	D176 E182 H183 F186	D176-D180 PolarHBondContact O-N 2.94Å; D180-E182 PolarHBondContact O-N 2.74Å; D180-E182 PolarHBondContact OD1-N 2.76Å; D180-H183 HydrophobicContact CB-CB 4.09Å; D180-H183 VanDerWaalsContact O-CB 3.29Å; D180-H183 WeakPolarHBondContact O-CB 3.33Å; D180-H183 PolarHBondContact O-N 3.38Å; D180-F186 WeakPolarHBondContact O-CB 3.49Å; D180-F186 WeakPolarHBondContact O-CD2 3.44Å
181	Q	84.8	Confident	80.1	Confident	159 Å²	159	68.6 Å²	68.6	74%	0.743	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.2	-179.1	-64.1	-177.8	19.3	0	0	113.5	H183 F186	Q181-H183 VanDerWaalsContact C-N 3.34Å; Q181-F186 HydrophobicContact CB-CZ 4.48Å; Q181-F186 HydrophobicContact CG-CD2 4.48Å; Q181-F186 HydrophobicContact CG-CE1 4.15Å; Q181-F186 HydrophobicContact CG-CE2 3.93Å; Q181-F186 HydrophobicContact CG-CZ 3.75Å
182	E	84.5	Confident	81.7	Confident	178 Å²	178	68.9 Å²	68.9	83%	0.832	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-10.5	178.2	-60.4	-172.3	164.4	0	0	111.7	D180	D180-E182 PolarHBondContact O-N 2.74Å; D180-E182 PolarHBondContact OD1-N 2.76Å
183	H	86.8	Confident	83.4	Confident	7 Å²	7	71.9 Å²	71.9	3%	0.032	37%	0.372	C	S	.	.	S	Bend	trans	-64.6	130.4	178.7	-169	-75.8	0	0	0	111	P177 D180 Q181 G185 F186 Y191 E317	P177-H183 HydrophobicContact CB-CB 4.47Å; D180-H183 HydrophobicContact CB-CB 4.09Å; D180-H183 VanDerWaalsContact O-CB 3.29Å; D180-H183 WeakPolarHBondContact O-CB 3.33Å; D180-H183 PolarHBondContact O-N 3.38Å; Q181-H183 VanDerWaalsContact C-N 3.34Å; H183-G185 PolarHBondContact ND1-N 3.39Å; H183-G185 PolarHBondContact O-N 2.77Å; H183-F186 HydrophobicContact CB-CB 4.48Å; H183-F186 VanDerWaalsContact O-CB 3.22Å; H183-F186 WeakPolarHBondContact O-CB 3.3Å; H183-F186 PolarHBondContact O-N 3.33Å; H183-Y191 AromaticContact CE1-CE1 3.57Å; H183-E317 IonicContact CE1-OE1 3.1Å; H183-E317 IonicContact NE2-OE1 3.97Å; H183-E317 PolarHBondContact NE2-OE1 2.69Å; H183-E317 IonicContact NE2-OE2 3.79Å
184	P	89.3	Confident	85.3	Confident	42 Å²	42	69.1 Å²	69.1	27%	0.273	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.7	-177.3	-26.5	33.6	0	0	0	114.4	H308	P184-H308 HydrophobicContact CB-CB 4.08Å
185	G	90.7	Very high	86.8	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.9	175	0	0	0	0	0	116.4	H183 T187 D188	H183-G185 PolarHBondContact ND1-N 3.39Å; H183-G185 PolarHBondContact O-N 2.77Å; G185-T187 VanDerWaalsContact C-N 3.3Å; G185-T187 PolarHBondContact O-N 2.83Å; G185-D188 PolarHBondContact O-N 2.91Å
186	F	89.2	Confident	88.1	Confident	66 Å²	66	70.2 Å²	70.2	29%	0.289	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-42.9	-176.5	178.2	-100.4	0	0	0	112.3	P177 D180 Q181 H183 D188 R192	P177-F186 WeakPolarHBondContact O-CD2 3.17Å; D180-F186 WeakPolarHBondContact O-CB 3.49Å; D180-F186 WeakPolarHBondContact O-CD2 3.44Å; Q181-F186 HydrophobicContact CB-CZ 4.48Å; Q181-F186 HydrophobicContact CG-CD2 4.48Å; Q181-F186 HydrophobicContact CG-CE1 4.15Å; Q181-F186 HydrophobicContact CG-CE2 3.93Å; Q181-F186 HydrophobicContact CG-CZ 3.75Å; H183-F186 HydrophobicContact CB-CB 4.48Å; H183-F186 VanDerWaalsContact O-CB 3.22Å; H183-F186 WeakPolarHBondContact O-CB 3.3Å; H183-F186 PolarHBondContact O-N 3.33Å; F186-D188 VanDerWaalsContact C-N 3.33Å; F186-R192 WeakPolarHBondContact O-CD 3.15Å; F186-R192 PolarHBondContact O-NE 3.11Å
187	T	91.8	Very high	89.1	Confident	118 Å²	118	73.4 Å²	73.4	72%	0.724	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.2	179.1	55.7	0	0	0	0	113.8	G185 P189	G185-T187 VanDerWaalsContact C-N 3.3Å; G185-T187 PolarHBondContact O-N 2.83Å; T187-P189 VanDerWaalsContact O-CD 3.29Å; T187-P189 WeakPolarHBondContact O-CD 3.43Å
188	D	94.5	Very high	90.2	Very high	40 Å²	40	73.7 Å²	73.7	21%	0.214	37%	0.37	C	S	.	.			trans	-96.7	104.9	-179.6	-174.7	-14.3	0	0	0	110.7	G185 F186 V190 Y191 R192 H308	G185-D188 PolarHBondContact O-N 2.91Å; F186-D188 VanDerWaalsContact C-N 3.33Å; D188-V190 VanDerWaalsContact C-N 3.3Å; D188-V190 PolarHBondContact O-N 2.96Å; D188-V190 WeakPolarHBondContact OD1-CA 3.26Å; D188-V190 WeakPolarHBondContact OD1-CB 3.27Å; D188-V190 PolarHBondContact OD1-N 3.18Å; D188-Y191 PolarHBondContact OD1-N 3.34Å; D188-Y191 VanDerWaalsContact OD1-N 3.09Å; D188-R192 WeakPolarHBondContact O-CG 3.2Å; D188-R192 PolarHBondContact O-N 3.38Å; D188-R192 VanDerWaalsContact O-N 3.14Å; D188-R192 PolarHBondContact O-NE 2.88Å; D188-H308 IonicContact OD2-CD2 2.66Å; D188-H308 IonicContact OD2-NE2 3.46Å; D188-H308 PolarHBondContact OD2-NE2 2.99Å
189	P	94.9	Very high	91	Very high	82 Å²	82	70 Å²	70	53%	0.532	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-27.9	178	29.3	-34.9	0	0	0	113.3	T187 Q193	T187-P189 VanDerWaalsContact O-CD 3.29Å; T187-P189 WeakPolarHBondContact O-CD 3.43Å; P189-Q193 WeakPolarHBondContact O-CB 3.23Å; P189-Q193 PolarHBondContact O-N 3.45Å; P189-Q193 VanDerWaalsContact O-N 3.07Å
190	V	96.5	Very high	91.9	Very high	110 Å²	110	67.6 Å²	67.6	67%	0.667	34%	0.34	S	S	*	.	H	α-helix	trans	-71.1	-47.4	179	-179.1	0	0	0	0	109.1	D188 R192 Q193 R194	D188-V190 VanDerWaalsContact C-N 3.3Å; D188-V190 PolarHBondContact O-N 2.96Å; D188-V190 WeakPolarHBondContact OD1-CA 3.26Å; D188-V190 WeakPolarHBondContact OD1-CB 3.27Å; D188-V190 PolarHBondContact OD1-N 3.18Å; V190-R192 PolarHBondContact O-N 2.88Å; V190-Q193 PolarHBondContact O-N 3.22Å; V190-R194 WeakPolarHBondContact O-CB 3.29Å; V190-R194 PolarHBondContact O-N 3.39Å
191	Y	95.6	Very high	92.6	Very high	21 Å²	21	67 Å²	67	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-44.2	176.3	-172.1	-98.7	0	0	0	112.2	P177 H183 D188 Q193 R194 R195 I306 H308 E317	P177-Y191 HydrophobicContact CB-CD1 4.5Å; P177-Y191 HydrophobicContact CG-CD1 4.31Å; P177-Y191 HydrophobicContact CG-CE1 4.24Å; H183-Y191 AromaticContact CE1-CE1 3.57Å; D188-Y191 PolarHBondContact OD1-N 3.34Å; D188-Y191 VanDerWaalsContact OD1-N 3.09Å; Y191-Q193 PolarHBondContact O-N 3.3Å; Y191-R194 WeakPolarHBondContact O-CB 3.19Å; Y191-R194 PolarHBondContact O-N 2.8Å; Y191-R194 VanDerWaalsContact O-N 3.16Å; Y191-R195 HydrophobicContact CD1-CG 3.9Å; Y191-R195 HydrophobicContact CE1-CG 3.51Å; Y191-R195 WeakPolarHBondContact O-CG 3.42Å; Y191-R195 PolarHBondContact O-N 2.75Å; Y191-I306 WeakPolarHBondContact CE2-O 3.48Å; Y191-I306 PolarHBondContact OH-O 2.86Å; Y191-H308 HydrophobicContact CD2-CB 4.44Å; Y191-H308 AromaticContact CD2-CD2 3.67Å; Y191-H308 HydrophobicContact CE2-CB 4.12Å; Y191-H308 AromaticContact CG-CD2 3.65Å; Y191-E317 PolarHBondContact OH-OE1 3.01Å
192	R	93.5	Very high	93	Very high	77 Å²	77	59.5 Å²	59.5	29%	0.291	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-44.1	177	-70.3	-176.2	-60.9	154.9	-13.6	112.8	P177 D178 F186 D188 V190 R194 R195 K196	P177-R192 HydrophobicContact CB-CG 3.83Å; P177-R192 HydrophobicContact CG-CG 3.98Å; D178-R192 WeakPolarHBondContact OD1-CD 3.38Å; D178-R192 IonicContact OD1-CZ 3.58Å; D178-R192 IonicContact OD1-NH1 2.81Å; D178-R192 PolarHBondContact OD1-NH1 3.31Å; D178-R192 VanDerWaalsContact OD1-NH1 3.1Å; F186-R192 WeakPolarHBondContact O-CD 3.15Å; F186-R192 PolarHBondContact O-NE 3.11Å; D188-R192 WeakPolarHBondContact O-CG 3.2Å; D188-R192 PolarHBondContact O-N 3.38Å; D188-R192 VanDerWaalsContact O-N 3.14Å; D188-R192 PolarHBondContact O-NE 2.88Å; V190-R192 PolarHBondContact O-N 2.88Å; R192-R194 VanDerWaalsContact C-N 3.28Å; R192-R194 PolarHBondContact O-N 3.4Å; R192-R195 PolarHBondContact O-N 3.27Å; R192-K196 PolarHBondContact O-N 3.2Å
193	Q	95.3	Very high	93.3	Very high	121 Å²	121	55.3 Å²	55.3	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-63.2	-36.9	174.9	-177	58.5	38.9	0	0	111.7	P189 V190 Y191 M197	P189-Q193 WeakPolarHBondContact O-CB 3.23Å; P189-Q193 PolarHBondContact O-N 3.45Å; P189-Q193 VanDerWaalsContact O-N 3.07Å; V190-Q193 PolarHBondContact O-N 3.22Å; Y191-Q193 PolarHBondContact O-N 3.3Å; Q193-M197 PolarHBondContact O-N 2.87Å
194	R	96.2	Very high	93.6	Very high	41 Å²	41	63.3 Å²	63.3	16%	0.155	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-45.1	175.7	-175.4	58.4	170.4	-179.1	-2.9	112	V190 Y191 R192 K196 M197 I198 E215 E220	V190-R194 WeakPolarHBondContact O-CB 3.29Å; V190-R194 PolarHBondContact O-N 3.39Å; Y191-R194 WeakPolarHBondContact O-CB 3.19Å; Y191-R194 PolarHBondContact O-N 2.8Å; Y191-R194 VanDerWaalsContact O-N 3.16Å; R192-R194 VanDerWaalsContact C-N 3.28Å; R192-R194 PolarHBondContact O-N 3.4Å; R194-K196 PolarHBondContact O-N 3.47Å; R194-M197 WeakPolarHBondContact O-CB 3.19Å; R194-M197 PolarHBondContact O-N 3.14Å; R194-I198 HydrophobicContact CG-CD1 4.36Å; R194-I198 WeakPolarHBondContact O-CG1 3.26Å; R194-I198 PolarHBondContact O-N 3.38Å; R194-E215 PolarHBondContact NH2-O 3.34Å; R194-E220 WeakPolarHBondContact CG-OE1 3.38Å; R194-E220 IonicContact CZ-OE1 3.11Å; R194-E220 IonicContact CZ-OE2 3.92Å; R194-E220 IonicContact NE-OE1 2.82Å; R194-E220 PolarHBondContact NE-OE1 3.18Å; R194-E220 IonicContact NE-OE2 3.92Å; R194-E220 IonicContact NH2-OE1 3.28Å; R194-E220 PolarHBondContact NH2-OE1 3.15Å; R194-E220 IonicContact NH2-OE2 2.84Å; R194-E220 PolarHBondContact NH2-OE2 2.79Å
195	R	93.9	Very high	93.9	Very high	24 Å²	24	61.9 Å²	61.9	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-44.9	173.7	-73.4	-68.8	-62.5	-80.2	1.3	112.1	P177 Y191 R192 I198 G199 Y305 E317	P177-R195 HydrophobicContact CG-CB 4.42Å; P177-R195 HydrophobicContact CG-CG 4.1Å; Y191-R195 HydrophobicContact CD1-CG 3.9Å; Y191-R195 HydrophobicContact CE1-CG 3.51Å; Y191-R195 WeakPolarHBondContact O-CG 3.42Å; Y191-R195 PolarHBondContact O-N 2.75Å; R192-R195 PolarHBondContact O-N 3.27Å; R195-I198 PolarHBondContact O-N 2.71Å; R195-G199 PolarHBondContact O-N 3.41Å; R195-Y305 VanDerWaalsContact CD-CB 3.45Å; R195-Y305 VanDerWaalsContact CD-CG 3.45Å; R195-Y305 VanDerWaalsContact NE-CG 3.25Å; R195-E317 IonicContact CZ-OE1 3.99Å; R195-E317 IonicContact CZ-OE2 2.9Å; R195-E317 IonicContact NH1-OE1 3.55Å; R195-E317 PolarHBondContact NH1-OE1 3.09Å; R195-E317 IonicContact NH1-OE2 3.93Å; R195-E317 PolarHBondContact NH1-OE2 3.13Å; R195-E317 IonicContact NH2-OE1 2.75Å; R195-E317 IonicContact NH2-OE2 3.86Å; R195-E317 PolarHBondContact NH2-OE2 3.38Å
196	K	93	Very high	94.2	Very high	125 Å²	125	66.2 Å²	66.2	54%	0.543	32%	0.319	S	S	.	.	H	α-helix	trans	-60.9	-45.5	175	-175.8	176.1	-178.4	175	0	112.6	R192 R194 I198 G199 D200	R192-K196 PolarHBondContact O-N 3.2Å; R194-K196 PolarHBondContact O-N 3.47Å; K196-I198 VanDerWaalsContact C-N 3.31Å; K196-I198 PolarHBondContact O-N 3.1Å; K196-G199 PolarHBondContact O-N 3.22Å; K196-D200 WeakPolarHBondContact O-CB 3.22Å; K196-D200 PolarHBondContact O-N 2.79Å
197	M	95.5	Very high	94.5	Very high	99 Å²	99	65.2 Å²	65.2	49%	0.488	32%	0.315	S	S	.	.	H	α-helix	trans	-58.3	-43.2	177.1	175.9	-172	165.9	0	0	111.8	Q193 R194 D200	Q193-M197 PolarHBondContact O-N 2.87Å; R194-M197 WeakPolarHBondContact O-CB 3.19Å; R194-M197 PolarHBondContact O-N 3.14Å; M197-D200 WeakPolarHBondContact O-CB 3.47Å
198	I	95.9	Very high	94.6	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-73.1	-39.6	178.7	-65.9	174.8	0	0	0	111	R194 R195 K196 D200 I201 V214 Q304	R194-I198 HydrophobicContact CG-CD1 4.36Å; R194-I198 WeakPolarHBondContact O-CG1 3.26Å; R194-I198 PolarHBondContact O-N 3.38Å; R195-I198 PolarHBondContact O-N 2.71Å; K196-I198 VanDerWaalsContact C-N 3.31Å; K196-I198 PolarHBondContact O-N 3.1Å; I198-D200 VanDerWaalsContact C-N 3.29Å; I198-D200 PolarHBondContact O-N 3Å; I198-I201 VanDerWaalsContact O-CB 3.28Å; I198-I201 WeakPolarHBondContact O-CB 3.42Å; I198-I201 PolarHBondContact O-N 3.12Å; I198-I201 VanDerWaalsContact O-N 3.08Å; I198-V214 HydrophobicContact CD1-CG1 4.24Å; I198-V214 HydrophobicContact CG1-CG1 4.39Å; I198-Q304 HydrophobicContact CG2-CB 3.53Å
199	G	92.9	Very high	94.7	Very high	7 Å²	7	65.7 Å²	65.7	7%	0.072	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-40	174.6	0	0	0	0	0	112.5	R195 K196 I201 A202 F203	R195-G199 PolarHBondContact O-N 3.41Å; K196-G199 PolarHBondContact O-N 3.22Å; G199-I201 PolarHBondContact O-N 3.31Å; G199-A202 WeakPolarHBondContact O-CB 3.11Å; G199-A202 PolarHBondContact O-N 2.93Å; G199-F203 WeakPolarHBondContact O-CD2 3.46Å; G199-F203 PolarHBondContact O-N 2.84Å
200	D	93.7	Very high	94.9	Very high	58 Å²	58	65.9 Å²	65.9	31%	0.31	33%	0.327	S	S	.	.	H	α-helix	trans	-58.3	-31.5	175	-92.3	15.1	0	0	0	113.2	K196 M197 I198 R204	K196-D200 WeakPolarHBondContact O-CB 3.22Å; K196-D200 PolarHBondContact O-N 2.79Å; M197-D200 WeakPolarHBondContact O-CB 3.47Å; I198-D200 VanDerWaalsContact C-N 3.29Å; I198-D200 PolarHBondContact O-N 3Å; D200-R204 VanDerWaalsContact O-CG 3.25Å; D200-R204 WeakPolarHBondContact O-CG 3.39Å; D200-R204 PolarHBondContact O-N 3.35Å; D200-R204 IonicContact OD2-CZ 3.31Å; D200-R204 IonicContact OD2-NH2 3.68Å; D200-R204 PolarHBondContact OD2-NH2 3.44Å
201	I	95.2	Very high	94.9	Very high	28 Å²	28	60.9 Å²	60.9	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-49.7	174	-65.6	171.3	0	0	0	109.6	I198 G199 F203 R204 Y205 P212 V214	I198-I201 VanDerWaalsContact O-CB 3.28Å; I198-I201 WeakPolarHBondContact O-CB 3.42Å; I198-I201 PolarHBondContact O-N 3.12Å; I198-I201 VanDerWaalsContact O-N 3.08Å; G199-I201 PolarHBondContact O-N 3.31Å; I201-F203 PolarHBondContact O-N 2.93Å; I201-R204 PolarHBondContact O-N 3.08Å; I201-Y205 PolarHBondContact O-N 2.76Å; I201-P212 HydrophobicContact CG2-CB 3.67Å; I201-P212 HydrophobicContact CG2-CG 3.74Å; I201-V214 HydrophobicContact CD1-CG2 3.68Å
202	A	93.5	Very high	95.1	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-41.1	-179.8	0	0	0	0	0	112.5	G199 R204 Y205 P281 V282 A283	G199-A202 WeakPolarHBondContact O-CB 3.11Å; G199-A202 PolarHBondContact O-N 2.93Å; A202-R204 VanDerWaalsContact C-N 3.3Å; A202-R204 PolarHBondContact O-N 3.27Å; A202-Y205 PolarHBondContact O-N 2.91Å; A202-P281 HydrophobicContact CB-CB 4.18Å; A202-V282 VanDerWaalsContact CB-C 3.48Å; A202-A283 HydrophobicContact CB-CB 4.1Å
203	F	91.3	Very high	95.3	Very high	89 Å²	89	65.6 Å²	65.6	39%	0.39	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-32.4	178	-78.3	-65.9	0	0	0	113.8	H170 I172 G199 I201 A283	H170-F203 HydrophobicContact CB-CD1 4.31Å; H170-F203 HydrophobicContact CB-CE1 3.56Å; H170-F203 HydrophobicContact CB-CZ 4.17Å; H170-F203 AromaticContact CD2-CD1 4Å; H170-F203 AromaticContact CG-CE1 4Å; I172-F203 HydrophobicContact CD1-CE2 3.75Å; I172-F203 HydrophobicContact CD1-CZ 3.59Å; I172-F203 HydrophobicContact CG1-CZ 4.33Å; G199-F203 WeakPolarHBondContact O-CD2 3.46Å; G199-F203 PolarHBondContact O-N 2.84Å; I201-F203 PolarHBondContact O-N 2.93Å; F203-A283 HydrophobicContact CD2-CB 4.31Å; F203-A283 HydrophobicContact CE2-CB 3.85Å; F203-A283 HydrophobicContact CZ-CB 4.19Å
204	R	93.9	Very high	95.4	Very high	175 Å²	175	60 Å²	60	66%	0.66	30%	0.295	S	S	*	.	H	α-helix	trans	-85.6	-25.3	-179	-66.9	176.5	-149.5	173.6	7.5	112.9	D200 I201 A202 K206	D200-R204 VanDerWaalsContact O-CG 3.25Å; D200-R204 WeakPolarHBondContact O-CG 3.39Å; D200-R204 PolarHBondContact O-N 3.35Å; D200-R204 IonicContact OD2-CZ 3.31Å; D200-R204 IonicContact OD2-NH2 3.68Å; D200-R204 PolarHBondContact OD2-NH2 3.44Å; I201-R204 PolarHBondContact O-N 3.08Å; A202-R204 VanDerWaalsContact C-N 3.3Å; A202-R204 PolarHBondContact O-N 3.27Å; R204-K206 PolarHBondContact O-N 3.45Å
205	Y	95.8	Very high	95.5	Very high	13 Å²	13	66.4 Å²	66.4	5%	0.051	33%	0.327	C	S	.	.			trans	-56.2	134.2	-178.6	179.8	-97.6	0	0	0	112.4	I201 A202 E209 I211 R280 P281	I201-Y205 PolarHBondContact O-N 2.76Å; A202-Y205 PolarHBondContact O-N 2.91Å; Y205-E209 HydrophobicContact CE2-CB 4.34Å; Y205-E209 VanDerWaalsContact CE2-O 3.27Å; Y205-E209 WeakPolarHBondContact CE2-O 3.5Å; Y205-E209 PolarHBondContact OH-O 3.33Å; Y205-I211 HydrophobicContact CE2-CB 4.48Å; Y205-I211 HydrophobicContact CE2-CG1 3.92Å; Y205-R280 HydrophobicContact CD1-CG 4.02Å; Y205-R280 HydrophobicContact CE1-CG 3.85Å; Y205-P281 HydrophobicContact CD1-CG 3.84Å; Y205-P281 HydrophobicContact CD2-CG 3.82Å; Y205-P281 HydrophobicContact CE1-CG 4.49Å; Y205-P281 HydrophobicContact CE2-CG 4.46Å; Y205-P281 HydrophobicContact CG-CG 3.47Å; Y205-P281 VanDerWaalsContact CG-CG 3.47Å
206	K	95.7	Very high	95.7	Very high	90 Å²	90	66.3 Å²	66.3	39%	0.391	33%	0.327	S	S	.	.			trans	-123.4	149.6	171.2	-61.2	-62.4	169.3	-152.9	0	112.3	D166 R204 G208 E209	D166-K206 HydrophobicContact CB-CD 4.12Å; D166-K206 WeakPolarHBondContact OD2-CD 3.46Å; R204-K206 PolarHBondContact O-N 3.45Å; K206-G208 PolarHBondContact O-N 2.98Å; K206-E209 HydrophobicContact CB-CG 4.44Å; K206-E209 PolarHBondContact N-OE2 3.37Å; K206-E209 VanDerWaalsContact N-OE2 3.14Å; K206-E209 WeakPolarHBondContact O-CB 3.4Å; K206-E209 PolarHBondContact O-N 3.47Å; K206-E209 VanDerWaalsContact O-N 3.12Å
207	Q	95.2	Very high	96	Very high	46 Å²	46	63.4 Å²	63.4	22%	0.215	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	126.2	-179.6	178.3	57.8	40.2	0	0	111.2	I162 D166	I162-Q207 HydrophobicContact CG1-CG 4.5Å; I162-Q207 HydrophobicContact CG2-CG 4.14Å; D166-Q207 PolarHBondContact OD1-N 2.95Å; D166-Q207 PolarHBondContact OD2-N 3.14Å
208	G	94.6	Very high	96.1	Very high	67 Å²	67	65.7 Å²	65.7	69%	0.691	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	-13	179.6	0	0	0	0	0	114.2	K206	K206-G208 PolarHBondContact O-N 2.98Å
209	E	96.9	Very high	96.2	Very high	100 Å²	100	71.8 Å²	71.8	47%	0.467	36%	0.357	S	S	.	.	S	Bend	trans	-78.3	149.1	169.1	-61.4	179.1	156.9	0	0	110.4	Y205 K206	Y205-E209 HydrophobicContact CE2-CB 4.34Å; Y205-E209 VanDerWaalsContact CE2-O 3.27Å; Y205-E209 WeakPolarHBondContact CE2-O 3.5Å; Y205-E209 PolarHBondContact OH-O 3.33Å; K206-E209 HydrophobicContact CB-CG 4.44Å; K206-E209 PolarHBondContact N-OE2 3.37Å; K206-E209 VanDerWaalsContact N-OE2 3.14Å; K206-E209 WeakPolarHBondContact O-CB 3.4Å; K206-E209 PolarHBondContact O-N 3.47Å; K206-E209 VanDerWaalsContact O-N 3.12Å
210	P	98	Very high	96.5	Very high	86 Å²	86	72.1 Å²	72.1	56%	0.558	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-64.5	141.2	168.7	28.4	-33.7	0	0	0	110	P212 E265	P210-P212 WeakPolarHBondContact O-CD 3.35Å; P210-E265 WeakPolarHBondContact CA-OE2 3.47Å
211	I	98.2	Very high	96.7	Very high	5 Å²	5	70.6 Å²	70.6	3%	0.026	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.3	124.3	179.6	-54.3	171.8	0	0	0	109	Y205 R213 L264 E265 L279 P281	Y205-I211 HydrophobicContact CE2-CB 4.48Å; Y205-I211 HydrophobicContact CE2-CG1 3.92Å; I211-R213 PolarHBondContact O-N 3.28Å; I211-L264 HydrophobicContact CB-CB 4.48Å; I211-L264 HydrophobicContact CD1-CB 3.88Å; I211-L264 HydrophobicContact CG2-CB 3.93Å; I211-L264 HydrophobicContact CG2-CD1 4.49Å; I211-E265 HydrophobicContact CB-CB 4.11Å; I211-E265 PolarHBondContact N-OE2 3.14Å; I211-L279 HydrophobicContact CD1-CB 4.15Å; I211-L279 WeakPolarHBondContact CD1-O 3.36Å; I211-P281 HydrophobicContact CG2-CB 4.24Å; I211-P281 HydrophobicContact CG2-CG 4Å
212	P	98.2	Very high	96.8	Very high	55 Å²	55	70.3 Å²	70.3	36%	0.357	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-61.2	133.8	-180	-25.7	36.7	0	0	0	111.6	I201 P210 Q304	I201-P212 HydrophobicContact CG2-CB 3.67Å; I201-P212 HydrophobicContact CG2-CG 3.74Å; P210-P212 WeakPolarHBondContact O-CD 3.35Å; P212-Q304 PolarHBondContact O-NE2 3.11Å
213	R	98.3	Very high	97	Very high	142 Å²	142	70.6 Å²	70.6	54%	0.536	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-77.2	145.1	179.1	-57.5	-178.3	84.7	90.1	-5.9	109.9	I211 Q263 D266	I211-R213 PolarHBondContact O-N 3.28Å; R213-Q263 VanDerWaalsContact NH2-CG 3.35Å; R213-D266 IonicContact CZ-OD1 3.02Å; R213-D266 IonicContact CZ-OD2 3.91Å; R213-D266 VanDerWaalsContact CZ-OD2 3.27Å; R213-D266 IonicContact NH1-OD1 2.7Å; R213-D266 PolarHBondContact NH1-OD1 2.61Å; R213-D266 IonicContact NH1-OD2 3.87Å; R213-D266 PolarHBondContact NH1-OD2 3.18Å; R213-D266 IonicContact NH2-OD1 2.62Å; R213-D266 IonicContact NH2-OD2 3.47Å; R213-D266 PolarHBondContact NH2-OD2 3.31Å
214	V	98.2	Very high	97.4	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.024	34%	0.336	C	S	.	.			trans	-108.1	123.4	176.8	177	0	0	0	0	108.8	I198 I201 Y216 Q263 Q304	I198-V214 HydrophobicContact CD1-CG1 4.24Å; I198-V214 HydrophobicContact CG1-CG1 4.39Å; I201-V214 HydrophobicContact CD1-CG2 3.68Å; V214-Y216 HydrophobicContact CB-CE1 4.21Å; V214-Y216 HydrophobicContact CB-CE2 4.2Å; V214-Y216 HydrophobicContact CG1-CD1 3.89Å; V214-Y216 HydrophobicContact CG1-CE1 3.76Å; V214-Y216 HydrophobicContact CG1-CE2 4.45Å; V214-Y216 HydrophobicContact CG1-CG 4.3Å; V214-Y216 WeakPolarHBondContact O-CD2 3.35Å; V214-Y216 PolarHBondContact O-N 2.69Å; V214-Q263 PolarHBondContact O-NE2 3.28Å; V214-Q304 HydrophobicContact CG2-CB 4.3Å
215	E	98.1	Very high	97.6	Very high	176 Å²	176	61.8 Å²	61.8	82%	0.822	32%	0.319	S	S	*	.			trans	-78	99.5	168.8	-174.9	177.1	-177.9	0	0	108.4	R194	R194-E215 PolarHBondContact NH2-O 3.34Å
216	Y	98.4	Very high	97.6	Very high	21 Å²	21	65.7 Å²	65.7	8%	0.082	34%	0.338	C	S	.	.			trans	-74.3	142.7	179	-63.7	-75.9	0	0	0	111.3	V214 E220 I261 Q304	V214-Y216 HydrophobicContact CB-CE1 4.21Å; V214-Y216 HydrophobicContact CB-CE2 4.2Å; V214-Y216 HydrophobicContact CG1-CD1 3.89Å; V214-Y216 HydrophobicContact CG1-CE1 3.76Å; V214-Y216 HydrophobicContact CG1-CE2 4.45Å; V214-Y216 HydrophobicContact CG1-CG 4.3Å; V214-Y216 WeakPolarHBondContact O-CD2 3.35Å; V214-Y216 PolarHBondContact O-N 2.69Å; Y216-E220 WeakPolarHBondContact CA-OE2 3.38Å; Y216-E220 HydrophobicContact CD1-CB 4.42Å; Y216-I261 HydrophobicContact CD1-CD1 3.79Å; Y216-I261 HydrophobicContact CD2-CB 3.62Å; Y216-I261 HydrophobicContact CD2-CD1 4.03Å; Y216-I261 HydrophobicContact CD2-CG1 4.33Å; Y216-I261 HydrophobicContact CD2-CG2 3.94Å; Y216-I261 HydrophobicContact CE1-CD1 4.21Å; Y216-I261 HydrophobicContact CE1-CG2 4.3Å; Y216-I261 HydrophobicContact CE2-CB 3.63Å; Y216-I261 HydrophobicContact CE2-CD1 4.41Å; Y216-I261 HydrophobicContact CE2-CG2 3.4Å; Y216-I261 VanDerWaalsContact CE2-CG2 3.4Å; Y216-I261 HydrophobicContact CG-CB 4.21Å; Y216-I261 HydrophobicContact CG-CD1 3.68Å; Y216-I261 HydrophobicContact CG-CG1 4.44Å; Y216-Q304 WeakPolarHBondContact CE1-O 3.47Å; Y216-Q304 PolarHBondContact OH-O 3.3Å; Y216-Q304 VanDerWaalsContact OH-O 3.09Å
217	T	98.2	Very high	97.7	Very high	64 Å²	64	61.5 Å²	61.5	39%	0.393	32%	0.32	S	S	.	.			trans	-77.1	162.9	177.5	72	0	0	0	0	111.3	E219 E220 I221	T217-E219 PolarHBondContact O-N 3.13Å; T217-E220 PolarHBondContact N-OE2 2.86Å; T217-E220 PolarHBondContact O-N 2.9Å; T217-E220 VanDerWaalsContact O-N 3.17Å; T217-E220 VanDerWaalsContact OG1-CG 3.3Å; T217-E220 WeakPolarHBondContact OG1-CG 3.38Å; T217-E220 PolarHBondContact OG1-N 3Å; T217-E220 PolarHBondContact OG1-OE2 3.42Å; T217-I221 WeakPolarHBondContact O-CG1 3.4Å; T217-I221 PolarHBondContact O-N 2.88Å
218	E	98.1	Very high	97.8	Very high	148 Å²	148	59.5 Å²	59.5	69%	0.692	31%	0.31	S	S	*	.	H	α-helix	trans	-58.9	-32.8	175.2	-68.8	-62.9	151.3	0	0	113.2	G222	E218-G222 PolarHBondContact O-N 3.25Å
219	E	97.9	Very high	97.9	Very high	132 Å²	132	58.7 Å²	58.7	62%	0.617	29%	0.294	S	S	*	.	H	α-helix	trans	-70.6	-40.4	176.3	-176	177.2	73.9	0	0	111.7	T217 G222 T223 A309	T217-E219 PolarHBondContact O-N 3.13Å; E219-G222 PolarHBondContact O-N 2.91Å; E219-T223 PolarHBondContact O-N 2.87Å; E219-T223 PolarHBondContact O-OG1 2.91Å; E219-A309 HydrophobicContact CG-CB 3.85Å
220	E	98.4	Very high	97.8	Very high	15 Å²	15	55.9 Å²	55.9	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-46.9	174.5	-67.6	172.7	149	0	0	110.2	R194 Y216 T217 G222 T223 W224 I261 I306	R194-E220 WeakPolarHBondContact CG-OE1 3.38Å; R194-E220 IonicContact CZ-OE1 3.11Å; R194-E220 IonicContact CZ-OE2 3.92Å; R194-E220 IonicContact NE-OE1 2.82Å; R194-E220 PolarHBondContact NE-OE1 3.18Å; R194-E220 IonicContact NE-OE2 3.92Å; R194-E220 IonicContact NH2-OE1 3.28Å; R194-E220 PolarHBondContact NH2-OE1 3.15Å; R194-E220 IonicContact NH2-OE2 2.84Å; R194-E220 PolarHBondContact NH2-OE2 2.79Å; Y216-E220 WeakPolarHBondContact CA-OE2 3.38Å; Y216-E220 HydrophobicContact CD1-CB 4.42Å; T217-E220 PolarHBondContact N-OE2 2.86Å; T217-E220 PolarHBondContact O-N 2.9Å; T217-E220 VanDerWaalsContact O-N 3.17Å; T217-E220 VanDerWaalsContact OG1-CG 3.3Å; T217-E220 WeakPolarHBondContact OG1-CG 3.38Å; T217-E220 PolarHBondContact OG1-N 3Å; T217-E220 PolarHBondContact OG1-OE2 3.42Å; E220-G222 VanDerWaalsContact C-N 3.27Å; E220-G222 PolarHBondContact O-N 3.45Å; E220-T223 PolarHBondContact O-N 3.21Å; E220-W224 PolarHBondContact O-N 3.29Å; E220-I261 HydrophobicContact CB-CD1 4.38Å; E220-I306 HydrophobicContact CB-CG2 3.73Å; E220-I306 HydrophobicContact CG-CG2 3.52Å; E220-I306 WeakPolarHBondContact O-CD1 3.14Å
221	I	98.6	Very high	97.7	Very high	25 Å²	25	51.9 Å²	51.9	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-37.5	174.9	-64.5	168.4	0	0	0	110.7	T217 W224 R225 I261	T217-I221 WeakPolarHBondContact O-CG1 3.4Å; T217-I221 PolarHBondContact O-N 2.88Å; I221-W224 PolarHBondContact O-N 2.84Å; I221-R225 WeakPolarHBondContact O-CB 3.41Å; I221-R225 PolarHBondContact O-N 2.66Å; I221-I261 HydrophobicContact CG1-CD1 4.46Å
222	G	98.3	Very high	97.6	Very high	23 Å²	23	54.1 Å²	54.1	24%	0.237	27%	0.266	C	S	.	.	H	α-helix	trans	-59.7	-46	173.8	0	0	0	0	0	113.3	E218 E219 E220 R225 E226	E218-G222 PolarHBondContact O-N 3.25Å; E219-G222 PolarHBondContact O-N 2.91Å; E220-G222 VanDerWaalsContact C-N 3.27Å; E220-G222 PolarHBondContact O-N 3.45Å; G222-R225 WeakPolarHBondContact O-CB 3.38Å; G222-R225 PolarHBondContact O-N 2.91Å; G222-E226 PolarHBondContact O-N 2.93Å
223	T	97.6	Very high	97.4	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.043	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-45.6	176.1	-56.7	0	0	0	0	110.9	E219 E220 R225 E226 V227 I306 R307 A309 P312	E219-T223 PolarHBondContact O-N 2.87Å; E219-T223 PolarHBondContact O-OG1 2.91Å; E220-T223 PolarHBondContact O-N 3.21Å; T223-R225 PolarHBondContact O-N 2.81Å; T223-E226 PolarHBondContact O-N 2.84Å; T223-V227 WeakPolarHBondContact O-CG2 3.42Å; T223-V227 PolarHBondContact O-N 2.79Å; T223-I306 HydrophobicContact CG2-CD1 4.18Å; T223-I306 HydrophobicContact CG2-CG1 4.22Å; T223-R307 HydrophobicContact CG2-CG 3.82Å; T223-A309 WeakPolarHBondContact OG1-CB 3.31Å; T223-P312 HydrophobicContact CG2-CB 4.13Å
224	W	98.2	Very high	97.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-47.5	174.7	167.1	-91.7	0	0	0	112.1	E220 I221 E226 V227 Y228 S257 N260 I261 P262 I306 V321 L324 L325	E220-W224 PolarHBondContact O-N 3.29Å; I221-W224 PolarHBondContact O-N 2.84Å; W224-E226 VanDerWaalsContact C-N 3.29Å; W224-E226 PolarHBondContact O-N 2.62Å; W224-V227 PolarHBondContact O-N 3.22Å; W224-Y228 AromaticContact CE2-CD2 3.66Å; W224-Y228 HydrophobicContact CH2-CD2 4.24Å; W224-Y228 AromaticContact CZ2-CD2 3.41Å; W224-Y228 HydrophobicContact CZ2-CD2 3.41Å; W224-Y228 VanDerWaalsContact CZ2-CD2 3.41Å; W224-Y228 AromaticContact CZ2-CE2 3.87Å; W224-Y228 HydrophobicContact CZ2-CE2 3.87Å; W224-Y228 HydrophobicContact CZ2-CG 4.5Å; W224-Y228 AromaticContact NE1-CD2 3.8Å; W224-Y228 WeakPolarHBondContact O-CB 3.31Å; W224-Y228 PolarHBondContact O-N 2.85Å; W224-S257 PolarHBondContact NE1-O 2.89Å; W224-N260 PolarHBondContact NE1-O 3.04Å; W224-I261 HydrophobicContact CB-CD1 3.88Å; W224-I261 HydrophobicContact CB-CG1 3.58Å; W224-I261 HydrophobicContact CD2-CB 4.48Å; W224-I261 HydrophobicContact CD2-CG1 3.81Å; W224-I261 HydrophobicContact CE3-CG1 4.17Å; W224-I261 HydrophobicContact CE3-CG2 4.35Å; W224-I261 HydrophobicContact CG-CD1 4.37Å; W224-I261 HydrophobicContact CG-CG1 3.54Å; W224-P262 HydrophobicContact CH2-CG 4.11Å; W224-P262 VanDerWaalsContact CZ2-CD 3.42Å; W224-P262 HydrophobicContact CZ2-CG 4.08Å; W224-I306 HydrophobicContact CB-CD1 3.79Å; W224-V321 HydrophobicContact CE3-CG2 3.9Å; W224-V321 HydrophobicContact CZ3-CG2 4.42Å; W224-L324 HydrophobicContact CH2-CB 4.07Å; W224-L324 HydrophobicContact CH2-CD1 4.23Å; W224-L324 HydrophobicContact CZ3-CB 4.12Å; W224-L324 HydrophobicContact CZ3-CD1 4.05Å; W224-L325 HydrophobicContact CH2-CD2 3.48Å; W224-L325 VanDerWaalsContact CH2-CD2 3.48Å; W224-L325 HydrophobicContact CH2-CG 3.97Å; W224-L325 HydrophobicContact CZ2-CD2 4.05Å; W224-L325 HydrophobicContact CZ3-CD1 4.46Å; W224-L325 HydrophobicContact CZ3-CD2 4.09Å; W224-L325 HydrophobicContact CZ3-CG 4.05Å
225	R	98.2	Very high	97.2	Very high	78 Å²	78	52 Å²	52	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-55	-45.3	-179.3	-172	-171.2	-65.7	109.6	2.4	111.6	I221 G222 T223 S229 P258 E259	I221-R225 WeakPolarHBondContact O-CB 3.41Å; I221-R225 PolarHBondContact O-N 2.66Å; G222-R225 WeakPolarHBondContact O-CB 3.38Å; G222-R225 PolarHBondContact O-N 2.91Å; T223-R225 PolarHBondContact O-N 2.81Å; R225-S229 VanDerWaalsContact O-CB 3.32Å; R225-S229 WeakPolarHBondContact O-CB 3.24Å; R225-S229 PolarHBondContact O-N 2.99Å; R225-S229 PolarHBondContact O-OG 3.23Å; R225-P258 WeakPolarHBondContact CA-O 3.3Å; R225-P258 WeakPolarHBondContact CB-O 3.19Å; R225-P258 HydrophobicContact CG-CB 3.76Å; R225-P258 WeakPolarHBondContact CG-O 3.33Å; R225-E259 WeakPolarHBondContact CD-OE1 3.4Å; R225-E259 IonicContact CZ-OE1 3.16Å; R225-E259 IonicContact CZ-OE2 3.9Å; R225-E259 VanDerWaalsContact CZ-OE2 3.31Å; R225-E259 VanDerWaalsContact NE-CD 3.31Å; R225-E259 IonicContact NE-OE1 3.74Å; R225-E259 PolarHBondContact NE-OE1 3.09Å; R225-E259 IonicContact NE-OE2 3.3Å; R225-E259 PolarHBondContact NE-OE2 2.84Å; R225-E259 VanDerWaalsContact NE-OE2 3.11Å; R225-E259 IonicContact NH2-OE1 3.79Å; R225-E259 IonicContact NH2-OE2 2.69Å; R225-E259 PolarHBondContact NH2-OE2 3.19Å
226	E	96.8	Very high	97	Very high	95 Å²	95	48 Å²	48	44%	0.444	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-48.5	-179	-170.5	179.6	154.8	0	0	111.5	G222 T223 W224 T230 P312 M313	G222-E226 PolarHBondContact O-N 2.93Å; T223-E226 PolarHBondContact O-N 2.84Å; W224-E226 VanDerWaalsContact C-N 3.29Å; W224-E226 PolarHBondContact O-N 2.62Å; E226-T230 WeakPolarHBondContact O-CB 3.47Å; E226-T230 PolarHBondContact O-N 3.32Å; E226-T230 PolarHBondContact O-OG1 2.64Å; E226-P312 VanDerWaalsContact OE1-CG 3.25Å; E226-P312 WeakPolarHBondContact OE1-CG 3.39Å; E226-M313 HydrophobicContact CG-CE 3.73Å
227	V	96.6	Very high	96.9	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-70.9	-44.3	-179	-175.9	0	0	0	0	111.6	T223 W224 S229 T230 L231 P312 V321 L325	T223-V227 WeakPolarHBondContact O-CG2 3.42Å; T223-V227 PolarHBondContact O-N 2.79Å; W224-V227 PolarHBondContact O-N 3.22Å; V227-S229 PolarHBondContact O-N 3.46Å; V227-T230 PolarHBondContact O-N 3.37Å; V227-L231 HydrophobicContact CG1-CD1 3.51Å; V227-L231 HydrophobicContact CG1-CG 4.16Å; V227-L231 WeakPolarHBondContact O-CB 3.33Å; V227-L231 WeakPolarHBondContact O-CG 3.47Å; V227-L231 PolarHBondContact O-N 3.37Å; V227-P312 HydrophobicContact CG2-CB 4.07Å; V227-P312 WeakPolarHBondContact CG2-O 3.47Å; V227-V321 HydrophobicContact CB-CG1 4.15Å; V227-V321 HydrophobicContact CG1-CG1 3.49Å; V227-V321 VanDerWaalsContact CG1-CG1 3.49Å; V227-L325 HydrophobicContact CG1-CD1 4.47Å
228	Y	97.7	Very high	96.9	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-56	-51.7	178.2	-173.4	-76.3	0	0	0	111.1	W224 T230 L231 R232 F247 E251 Y256 P258 L325	W224-Y228 AromaticContact CE2-CD2 3.66Å; W224-Y228 HydrophobicContact CH2-CD2 4.24Å; W224-Y228 AromaticContact CZ2-CD2 3.41Å; W224-Y228 HydrophobicContact CZ2-CD2 3.41Å; W224-Y228 VanDerWaalsContact CZ2-CD2 3.41Å; W224-Y228 AromaticContact CZ2-CE2 3.87Å; W224-Y228 HydrophobicContact CZ2-CE2 3.87Å; W224-Y228 HydrophobicContact CZ2-CG 4.5Å; W224-Y228 AromaticContact NE1-CD2 3.8Å; W224-Y228 WeakPolarHBondContact O-CB 3.31Å; W224-Y228 PolarHBondContact O-N 2.85Å; Y228-T230 VanDerWaalsContact C-N 3.34Å; Y228-T230 PolarHBondContact O-N 3.17Å; Y228-L231 PolarHBondContact O-N 3.15Å; Y228-R232 HydrophobicContact CD1-CB 4.32Å; Y228-R232 HydrophobicContact CE1-CB 4.27Å; Y228-R232 HydrophobicContact CE1-CG 4.31Å; Y228-R232 WeakPolarHBondContact O-CB 3.26Å; Y228-R232 PolarHBondContact O-N 3.13Å; Y228-F247 HydrophobicContact CD2-CZ 4.4Å; Y228-F247 HydrophobicContact CE1-CZ 4.45Å; Y228-F247 HydrophobicContact CE2-CE1 4.21Å; Y228-F247 AromaticContact CE2-CZ 3.59Å; Y228-F247 HydrophobicContact CE2-CZ 3.59Å; Y228-F247 AromaticContact CZ-CE1 3.77Å; Y228-F247 AromaticContact CZ-CZ 3.61Å; Y228-F247 VanDerWaalsContact OH-CE1 3.25Å; Y228-F247 WeakPolarHBondContact OH-CE1 3.49Å; Y228-E251 VanDerWaalsContact OH-CG 3.27Å; Y228-E251 WeakPolarHBondContact OH-CG 3.45Å; Y228-E251 PolarHBondContact OH-OE1 3.01Å; Y228-Y256 HydrophobicContact CE2-CD1 4.41Å; Y228-P258 HydrophobicContact CD1-CB 4.27Å; Y228-P258 HydrophobicContact CD1-CG 3.69Å; Y228-P258 HydrophobicContact CE1-CG 3.91Å; Y228-L325 HydrophobicContact CD2-CD2 3.85Å; Y228-L325 HydrophobicContact CE2-CD2 4.15Å
229	S	96.8	Very high	96.9	Very high	50 Å²	50	42.8 Å²	42.8	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-44	-176.6	-54.6	0	0	0	0	111	R225 V227 D233	R225-S229 VanDerWaalsContact O-CB 3.32Å; R225-S229 WeakPolarHBondContact O-CB 3.24Å; R225-S229 PolarHBondContact O-N 2.99Å; R225-S229 PolarHBondContact O-OG 3.23Å; V227-S229 PolarHBondContact O-N 3.46Å; S229-D233 PolarHBondContact O-N 3.07Å
230	T	94.9	Very high	96.9	Very high	41 Å²	41	36.5 Å²	36.5	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-64.5	-45.2	-179	-57.8	0	0	0	0	112.3	E226 V227 Y228 M313 Y388	E226-T230 WeakPolarHBondContact O-CB 3.47Å; E226-T230 PolarHBondContact O-N 3.32Å; E226-T230 PolarHBondContact O-OG1 2.64Å; V227-T230 PolarHBondContact O-N 3.37Å; Y228-T230 VanDerWaalsContact C-N 3.34Å; Y228-T230 PolarHBondContact O-N 3.17Å; T230-M313 HydrophobicContact CG2-CE 3.98Å; T230-M313 HydrophobicContact CG2-SD 4.34Å; T230-M313 VanDerWaalsContact OG1-CE 3.31Å; T230-M313 WeakPolarHBondContact OG1-CE 3.49Å; T230-Y388 HydrophobicContact CG2-CD2 3.43Å; T230-Y388 VanDerWaalsContact CG2-CD2 3.43Å; T230-Y388 HydrophobicContact CG2-CE2 4.05Å; T230-Y388 HydrophobicContact CG2-CG 3.96Å
231	L	96.3	Very high	96.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-74.3	-36.9	-179.8	-69.7	171.6	0	0	0	112.4	V227 Y228 D233 L234 Y235 L325	V227-L231 HydrophobicContact CG1-CD1 3.51Å; V227-L231 HydrophobicContact CG1-CG 4.16Å; V227-L231 WeakPolarHBondContact O-CB 3.33Å; V227-L231 WeakPolarHBondContact O-CG 3.47Å; V227-L231 PolarHBondContact O-N 3.37Å; Y228-L231 PolarHBondContact O-N 3.15Å; L231-D233 PolarHBondContact O-N 2.88Å; L231-L234 PolarHBondContact O-N 2.91Å; L231-Y235 HydrophobicContact CB-CE1 3.93Å; L231-Y235 HydrophobicContact CB-CE2 4.21Å; L231-Y235 WeakPolarHBondContact CB-OH 3.48Å; L231-Y235 WeakPolarHBondContact O-CD1 3.27Å; L231-Y235 VanDerWaalsContact O-CG 3.31Å; L231-Y235 PolarHBondContact O-N 3.45Å; L231-L325 HydrophobicContact CD1-CD1 3.89Å
232	R	95.8	Very high	96.8	Very high	53 Å²	53	39.2 Å²	39.2	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-37.2	-179.4	-177.5	61.9	176.2	97	-9.6	112.6	Y228 F247 N248 E251	Y228-R232 HydrophobicContact CD1-CB 4.32Å; Y228-R232 HydrophobicContact CE1-CB 4.27Å; Y228-R232 HydrophobicContact CE1-CG 4.31Å; Y228-R232 WeakPolarHBondContact O-CB 3.26Å; Y228-R232 PolarHBondContact O-N 3.13Å; R232-F247 VanDerWaalsContact CD-CE1 3.44Å; R232-N248 PolarHBondContact NH2-OD1 3.11Å; R232-E251 IonicContact NE-OE1 3.96Å; R232-E251 PolarHBondContact NE-OE1 3.15Å; R232-E251 VanDerWaalsContact NE-OE1 3.15Å; R232-E251 IonicContact NE-OE2 3.62Å; R232-E251 IonicContact NH2-OE1 3.13Å; R232-E251 IonicContact NH2-OE2 2.69Å; R232-E251 PolarHBondContact NH2-OE2 3.45Å
233	D	94	Very high	96.9	Very high	131 Å²	131	38.1 Å²	38.1	70%	0.701	20%	0.204	S	C	*	.	H	α-helix	trans	-66.1	-39.7	176.1	-75.3	-12.3	0	0	0	111.8	S229 L231	S229-D233 PolarHBondContact O-N 3.07Å; L231-D233 PolarHBondContact O-N 2.88Å
234	L	95.4	Very high	96.9	Very high	25 Å²	25	39.5 Å²	39.5	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-73.5	-32.8	178.8	-71.6	-172.1	0	0	0	113.7	L231 T236 T237 H238 Y388 L391 V392	L231-L234 PolarHBondContact O-N 2.91Å; L234-T236 PolarHBondContact O-N 3.05Å; L234-T236 VanDerWaalsContact O-N 3.13Å; L234-T237 PolarHBondContact O-N 3.3Å; L234-T237 PolarHBondContact O-OG1 2.9Å; L234-T237 VanDerWaalsContact O-OG1 3.09Å; L234-H238 WeakPolarHBondContact O-CB 3.45Å; L234-H238 PolarHBondContact O-N 2.83Å; L234-H238 PolarHBondContact O-ND1 2.96Å; L234-H238 VanDerWaalsContact O-ND1 3.13Å; L234-Y388 HydrophobicContact CD1-CD2 3.3Å; L234-Y388 HydrophobicContact CD1-CE2 3.51Å; L234-Y388 HydrophobicContact CD1-CG 4.28Å; L234-Y388 HydrophobicContact CD2-CE2 4.29Å; L234-Y388 HydrophobicContact CG-CD2 4.12Å; L234-Y388 HydrophobicContact CG-CE2 4.05Å; L234-L391 HydrophobicContact CB-CD2 3.99Å; L234-L391 HydrophobicContact CD1-CD2 3.96Å; L234-L391 HydrophobicContact CD1-CG 4.5Å; L234-V392 HydrophobicContact CD1-CG2 4.04Å
235	Y	97.4	Very high	96.8	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-54.7	-39.1	-173.1	-65.9	-30.3	0	0	0	113	L231 T237 H238 A239 H243 F247 L325 L385	L231-Y235 HydrophobicContact CB-CE1 3.93Å; L231-Y235 HydrophobicContact CB-CE2 4.21Å; L231-Y235 WeakPolarHBondContact CB-OH 3.48Å; L231-Y235 WeakPolarHBondContact O-CD1 3.27Å; L231-Y235 VanDerWaalsContact O-CG 3.31Å; L231-Y235 PolarHBondContact O-N 3.45Å; Y235-T237 PolarHBondContact O-N 3.1Å; Y235-T237 VanDerWaalsContact O-N 3.11Å; Y235-H238 PolarHBondContact O-N 3.41Å; Y235-A239 HydrophobicContact CD1-CB 4.1Å; Y235-A239 HydrophobicContact CG-CB 4.36Å; Y235-A239 WeakPolarHBondContact O-CB 3.27Å; Y235-A239 PolarHBondContact O-N 2.82Å; Y235-H243 AromaticContact CD1-CE1 3.99Å; Y235-H243 AromaticContact CD2-CE1 3.78Å; Y235-H243 AromaticContact CE1-CE1 3.88Å; Y235-H243 AromaticContact CE2-CE1 3.7Å; Y235-H243 AromaticContact CG-CE1 3.95Å; Y235-H243 AromaticContact CZ-CE1 3.74Å; Y235-F247 HydrophobicContact CD2-CE2 4.4Å; Y235-F247 HydrophobicContact CD2-CZ 4.49Å; Y235-F247 HydrophobicContact CE2-CD2 4.12Å; Y235-F247 AromaticContact CE2-CE2 3.7Å; Y235-F247 HydrophobicContact CE2-CE2 3.7Å; Y235-F247 AromaticContact CE2-CZ 3.94Å; Y235-F247 HydrophobicContact CE2-CZ 3.94Å; Y235-L325 WeakPolarHBondContact OH-CB 3.43Å; Y235-L385 HydrophobicContact CD1-CD2 4.1Å; Y235-L385 HydrophobicContact CE1-CB 4.39Å; Y235-L385 HydrophobicContact CE1-CD2 4.05Å; Y235-L385 WeakPolarHBondContact CE1-O 3.41Å; Y235-L385 PolarHBondContact OH-O 3.25Å
236	T	94.4	Very high	96.8	Very high	91 Å²	91	42.1 Å²	42.1	56%	0.558	23%	0.227	S	C	*	.	H	α-helix	trans	-55	-34.9	-179.4	-52.3	0	0	0	0	112.4	L234	L234-T236 PolarHBondContact O-N 3.05Å; L234-T236 VanDerWaalsContact O-N 3.13Å
237	T	95.4	Very high	96.9	Very high	87 Å²	87	37.6 Å²	37.6	53%	0.534	21%	0.206	S	C	.	.	H	α-helix	trans	-103	-26.8	-177.2	47.9	0	0	0	0	113.2	L234 Y235 K378	L234-T237 PolarHBondContact O-N 3.3Å; L234-T237 PolarHBondContact O-OG1 2.9Å; L234-T237 VanDerWaalsContact O-OG1 3.09Å; Y235-T237 PolarHBondContact O-N 3.1Å; Y235-T237 VanDerWaalsContact O-N 3.11Å; T237-K378 PolarHBondContact O-NZ 2.93Å
238	H	97.8	Very high	96.9	Very high	36 Å²	36	40.3 Å²	40.3	17%	0.167	22%	0.22	C	C	.	.	H	α-helix	trans	-108.5	-36.2	-170.1	-64.7	66	0	0	0	113.9	L234 Y235 K378 A379 L391 L395	L234-H238 WeakPolarHBondContact O-CB 3.45Å; L234-H238 PolarHBondContact O-N 2.83Å; L234-H238 PolarHBondContact O-ND1 2.96Å; L234-H238 VanDerWaalsContact O-ND1 3.13Å; Y235-H238 PolarHBondContact O-N 3.41Å; H238-K378 WeakPolarHBondContact O-CA 3.42Å; H238-A379 PolarHBondContact O-N 3.4Å; H238-L391 HydrophobicContact CB-CD1 3.84Å; H238-L391 HydrophobicContact CB-CD2 3.83Å; H238-L391 HydrophobicContact CB-CG 3.79Å; H238-L395 HydrophobicContact CB-CD1 3.63Å
239	A	98.2	Very high	96.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-78.5	154.3	-177.4	0	0	0	0	0	111.9	Y235 H243 L244 L385	Y235-A239 HydrophobicContact CD1-CB 4.1Å; Y235-A239 HydrophobicContact CG-CB 4.36Å; Y235-A239 WeakPolarHBondContact O-CB 3.27Å; Y235-A239 PolarHBondContact O-N 2.82Å; A239-H243 HydrophobicContact CB-CB 4.2Å; A239-L244 HydrophobicContact CB-CG 4.41Å; A239-L385 HydrophobicContact CB-CD2 3.59Å
240	C	98.3	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.			trans	-69.4	158	170.7	62.5	0	0	0	0	112	E242 H243 L244 I330 C371 K378 A379	C240-E242 VanDerWaalsContact C-N 3.27Å; C240-E242 PolarHBondContact O-N 3.17Å; C240-H243 PolarHBondContact O-N 2.82Å; C240-L244 PolarHBondContact O-N 2.93Å; C240-I330 VanDerWaalsContact SG-CD1 3.55Å; C240-C371 VanDerWaalsContact CB-SG 3.56Å; C240-K378 HydrophobicContact CB-CB 4.05Å; C240-A379 PolarHBondContact N-O 3.11Å
241	S	97.8	Very high	97.2	Very high	45 Å²	45	40.6 Å²	40.6	32%	0.315	21%	0.214	S	C	.	.	H	α-helix	trans	-57.7	-36.9	-178.7	49.8	0	0	0	0	113.7	H243 L244 E245 Q373	S241-H243 VanDerWaalsContact C-N 3.35Å; S241-H243 PolarHBondContact O-N 3.13Å; S241-L244 PolarHBondContact O-N 2.87Å; S241-E245 WeakPolarHBondContact O-CB 3.33Å; S241-E245 WeakPolarHBondContact O-CG 3.34Å; S241-E245 PolarHBondContact O-N 3.34Å; S241-Q373 PolarHBondContact OG-NE2 3Å
242	E	98	Very high	97.2	Very high	51 Å²	51	49.4 Å²	49.4	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-40.7	-178.6	-65.6	86	161.5	0	0	111.2	C240 A246 I330 D333 Q373 F429	C240-E242 VanDerWaalsContact C-N 3.27Å; C240-E242 PolarHBondContact O-N 3.17Å; E242-A246 WeakPolarHBondContact O-CB 3.36Å; E242-A246 PolarHBondContact O-N 2.71Å; E242-A246 VanDerWaalsContact O-N 3.08Å; E242-I330 HydrophobicContact CB-CD1 4.42Å; E242-D333 HydrophobicContact CB-CB 4.37Å; E242-Q373 PolarHBondContact OE2-NE2 3.49Å; E242-F429 HydrophobicContact CB-CE2 3.9Å; E242-F429 HydrophobicContact CG-CD2 4.19Å; E242-F429 HydrophobicContact CG-CE2 3.68Å
243	H	98.4	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-51.3	172.6	-177.7	-85	0	0	0	110.5	Y235 A239 C240 S241 E245 A246 F247 L325 P329 I330 L385	Y235-H243 AromaticContact CD1-CE1 3.99Å; Y235-H243 AromaticContact CD2-CE1 3.78Å; Y235-H243 AromaticContact CE1-CE1 3.88Å; Y235-H243 AromaticContact CE2-CE1 3.7Å; Y235-H243 AromaticContact CG-CE1 3.95Å; Y235-H243 AromaticContact CZ-CE1 3.74Å; A239-H243 HydrophobicContact CB-CB 4.2Å; C240-H243 PolarHBondContact O-N 2.82Å; S241-H243 VanDerWaalsContact C-N 3.35Å; S241-H243 PolarHBondContact O-N 3.13Å; H243-E245 PolarHBondContact O-N 2.95Å; H243-A246 PolarHBondContact O-N 3.34Å; H243-F247 AromaticContact CE1-CD2 3.71Å; H243-F247 WeakPolarHBondContact O-CB 3.29Å; H243-F247 PolarHBondContact O-N 2.97Å; H243-L325 PolarHBondContact NE2-O 2.83Å; H243-P329 VanDerWaalsContact CD2-CB 3.5Å; H243-P329 WeakPolarHBondContact CD2-CB 3.37Å; H243-I330 HydrophobicContact CB-CD1 3.7Å; H243-I330 HydrophobicContact CB-CG1 4.22Å; H243-L385 WeakPolarHBondContact CD2-CD1 3.4Å
244	L	97.7	Very high	97.5	Very high	36 Å²	36	47.1 Å²	47.1	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-43.6	-178.3	-72.1	172.6	0	0	0	112.6	A239 C240 S241 F247 N248	A239-L244 HydrophobicContact CB-CG 4.41Å; C240-L244 PolarHBondContact O-N 2.93Å; S241-L244 PolarHBondContact O-N 2.87Å; L244-F247 PolarHBondContact O-N 3.49Å; L244-N248 VanDerWaalsContact O-CG 3.24Å; L244-N248 PolarHBondContact O-N 2.83Å; L244-N248 PolarHBondContact O-ND2 3.4Å
245	E	97.6	Very high	97.5	Very high	129 Å²	129	47.5 Å²	47.5	60%	0.603	25%	0.245	S	C	*	.	H	α-helix	trans	-62.4	-47.5	177.2	-75.1	178.2	-164.3	0	0	111.7	S241 H243 L249	S241-E245 WeakPolarHBondContact O-CB 3.33Å; S241-E245 WeakPolarHBondContact O-CG 3.34Å; S241-E245 PolarHBondContact O-N 3.34Å; H243-E245 PolarHBondContact O-N 2.95Å; E245-L249 WeakPolarHBondContact O-CG 3.15Å; E245-L249 PolarHBondContact O-N 2.57Å
246	A	97.9	Very high	97.6	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-41.4	177.2	0	0	0	0	0	112.2	E242 H243 N248 L249 L250 P329 A332	E242-A246 WeakPolarHBondContact O-CB 3.36Å; E242-A246 PolarHBondContact O-N 2.71Å; E242-A246 VanDerWaalsContact O-N 3.08Å; H243-A246 PolarHBondContact O-N 3.34Å; A246-N248 PolarHBondContact O-N 2.91Å; A246-L249 WeakPolarHBondContact O-CB 3.21Å; A246-L249 PolarHBondContact O-N 3.49Å; A246-L250 WeakPolarHBondContact O-CG 3.41Å; A246-L250 PolarHBondContact O-N 3.35Å; A246-P329 HydrophobicContact CB-CB 4Å; A246-P329 WeakPolarHBondContact CB-O 3.46Å; A246-A332 HydrophobicContact CB-CB 3.94Å
247	F	97.9	Very high	97.8	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-45.3	179.7	-161.1	-85.5	0	0	0	111.8	Y228 R232 Y235 H243 L244 L249 L250 E251 Y256 L325 P329	Y228-F247 HydrophobicContact CD2-CZ 4.4Å; Y228-F247 HydrophobicContact CE1-CZ 4.45Å; Y228-F247 HydrophobicContact CE2-CE1 4.21Å; Y228-F247 AromaticContact CE2-CZ 3.59Å; Y228-F247 HydrophobicContact CE2-CZ 3.59Å; Y228-F247 AromaticContact CZ-CE1 3.77Å; Y228-F247 AromaticContact CZ-CZ 3.61Å; Y228-F247 VanDerWaalsContact OH-CE1 3.25Å; Y228-F247 WeakPolarHBondContact OH-CE1 3.49Å; R232-F247 VanDerWaalsContact CD-CE1 3.44Å; Y235-F247 HydrophobicContact CD2-CE2 4.4Å; Y235-F247 HydrophobicContact CD2-CZ 4.49Å; Y235-F247 HydrophobicContact CE2-CD2 4.12Å; Y235-F247 AromaticContact CE2-CE2 3.7Å; Y235-F247 HydrophobicContact CE2-CE2 3.7Å; Y235-F247 AromaticContact CE2-CZ 3.94Å; Y235-F247 HydrophobicContact CE2-CZ 3.94Å; H243-F247 AromaticContact CE1-CD2 3.71Å; H243-F247 WeakPolarHBondContact O-CB 3.29Å; H243-F247 PolarHBondContact O-N 2.97Å; L244-F247 PolarHBondContact O-N 3.49Å; F247-L249 PolarHBondContact O-N 2.69Å; F247-L250 WeakPolarHBondContact O-CB 3.49Å; F247-L250 PolarHBondContact O-N 2.83Å; F247-L250 VanDerWaalsContact O-N 3.11Å; F247-E251 HydrophobicContact CD1-CG 4.05Å; F247-E251 HydrophobicContact CE1-CG 3.91Å; F247-E251 WeakPolarHBondContact CE1-OE1 3.39Å; F247-E251 PolarHBondContact O-N 3.46Å; F247-Y256 HydrophobicContact CE2-CD1 4.05Å; F247-Y256 HydrophobicContact CE2-CE1 4.42Å; F247-Y256 HydrophobicContact CZ-CD1 4.24Å; F247-L325 HydrophobicContact CE2-CD2 3.84Å; F247-L325 HydrophobicContact CZ-CD2 4.17Å; F247-P329 HydrophobicContact CD2-CG 4.02Å
248	N	97.6	Very high	97.9	Very high	59 Å²	59	43.1 Å²	43.1	32%	0.316	22%	0.22	S	C	.	.	H	α-helix	trans	-59.9	-30.6	175.1	-72.1	-40.4	0	0	0	112.7	R232 L244 A246 R252	R232-N248 PolarHBondContact NH2-OD1 3.11Å; L244-N248 VanDerWaalsContact O-CG 3.24Å; L244-N248 PolarHBondContact O-N 2.83Å; L244-N248 PolarHBondContact O-ND2 3.4Å; A246-N248 PolarHBondContact O-N 2.91Å; N248-R252 VanDerWaalsContact O-CG 3.3Å; N248-R252 WeakPolarHBondContact O-CG 3.24Å; N248-R252 PolarHBondContact O-N 3.48Å
249	L	98.1	Very high	97.9	Very high	37 Å²	37	46.8 Å²	46.8	19%	0.194	24%	0.237	C	C	.	.	H	α-helix	trans	-77.7	-38.5	175.7	-66.9	166.5	0	0	0	111.7	E245 A246 F247 E251 R252 H253 F270	E245-L249 WeakPolarHBondContact O-CG 3.15Å; E245-L249 PolarHBondContact O-N 2.57Å; A246-L249 WeakPolarHBondContact O-CB 3.21Å; A246-L249 PolarHBondContact O-N 3.49Å; F247-L249 PolarHBondContact O-N 2.69Å; L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 3.36Å; L249-R252 PolarHBondContact O-N 2.91Å; L249-R252 VanDerWaalsContact O-N 3.12Å; L249-H253 WeakPolarHBondContact O-CB 3.31Å; L249-H253 PolarHBondContact O-CD2 3.06Å; L249-H253 PolarHBondContact O-N 3.19Å; L249-F270 HydrophobicContact CB-CE2 4.09Å; L249-F270 HydrophobicContact CB-CZ 3.88Å
250	L	98.4	Very high	97.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-38.5	175	-70.1	164.9	0	0	0	111.5	A246 F247 R252 H253 C254 Y256 F270 V328 P329	A246-L250 WeakPolarHBondContact O-CG 3.41Å; A246-L250 PolarHBondContact O-N 3.35Å; F247-L250 WeakPolarHBondContact O-CB 3.49Å; F247-L250 PolarHBondContact O-N 2.83Å; F247-L250 VanDerWaalsContact O-N 3.11Å; L250-R252 VanDerWaalsContact C-N 3.29Å; L250-R252 PolarHBondContact O-N 3.43Å; L250-H253 PolarHBondContact O-N 3.01Å; L250-C254 HydrophobicContact CD2-CB 4.04Å; L250-C254 WeakPolarHBondContact O-CA 3.47Å; L250-C254 WeakPolarHBondContact O-CB 3.48Å; L250-C254 PolarHBondContact O-N 3.33Å; L250-Y256 HydrophobicContact CB-CD1 3.96Å; L250-Y256 HydrophobicContact CB-CD2 3.72Å; L250-Y256 HydrophobicContact CB-CE1 4.16Å; L250-Y256 HydrophobicContact CB-CE2 3.93Å; L250-Y256 HydrophobicContact CB-CG 3.76Å; L250-Y256 HydrophobicContact CD1-CE1 3.98Å; L250-Y256 HydrophobicContact CD1-CE2 4.47Å; L250-Y256 HydrophobicContact CD2-CD2 4.45Å; L250-Y256 HydrophobicContact CD2-CE2 3.9Å; L250-Y256 HydrophobicContact CG-CE2 4.32Å; L250-Y256 PolarHBondContact O-N 3.12Å; L250-F270 HydrophobicContact CD2-CD1 3.53Å; L250-F270 HydrophobicContact CD2-CE1 3.5Å; L250-F270 HydrophobicContact CD2-CG 4.24Å; L250-F270 HydrophobicContact CD2-CZ 4.2Å; L250-F270 HydrophobicContact CG-CD1 4.47Å; L250-F270 HydrophobicContact CG-CE1 3.97Å; L250-F270 HydrophobicContact CG-CZ 4.35Å; L250-V328 HydrophobicContact CD1-CG1 3.89Å; L250-V328 HydrophobicContact CD2-CG1 3.99Å; L250-P329 HydrophobicContact CD1-CB 4.02Å; L250-P329 HydrophobicContact CD1-CG 3.75Å
251	E	97.9	Very high	97.9	Very high	64 Å²	64	50 Å²	50	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-40.7	171.4	-73.6	-176.9	144.7	0	0	111.5	Y228 R232 F247 L249	Y228-E251 VanDerWaalsContact OH-CG 3.27Å; Y228-E251 WeakPolarHBondContact OH-CG 3.45Å; Y228-E251 PolarHBondContact OH-OE1 3.01Å; R232-E251 IonicContact NE-OE1 3.96Å; R232-E251 PolarHBondContact NE-OE1 3.15Å; R232-E251 VanDerWaalsContact NE-OE1 3.15Å; R232-E251 IonicContact NE-OE2 3.62Å; R232-E251 IonicContact NH2-OE1 3.13Å; R232-E251 IonicContact NH2-OE2 2.69Å; R232-E251 PolarHBondContact NH2-OE2 3.45Å; F247-E251 HydrophobicContact CD1-CG 4.05Å; F247-E251 HydrophobicContact CE1-CG 3.91Å; F247-E251 WeakPolarHBondContact CE1-OE1 3.39Å; F247-E251 PolarHBondContact O-N 3.46Å; L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 3.36Å
252	R	97.7	Very high	98	Very high	187 Å²	187	47.9 Å²	47.9	71%	0.706	24%	0.24	S	C	*	.	H	α-helix	trans	-78.1	-33.3	-178.2	-68.9	173.3	-168	180	4.6	114.2	N248 L249 L250	N248-R252 VanDerWaalsContact O-CG 3.3Å; N248-R252 WeakPolarHBondContact O-CG 3.24Å; N248-R252 PolarHBondContact O-N 3.48Å; L249-R252 PolarHBondContact O-N 2.91Å; L249-R252 VanDerWaalsContact O-N 3.12Å; L250-R252 VanDerWaalsContact C-N 3.29Å; L250-R252 PolarHBondContact O-N 3.43Å
253	H	97.6	Very high	98	Very high	129 Å²	129	46.4 Å²	46.4	60%	0.597	23%	0.233	S	C	*	.	H	α-helix	trans	-120	-18.5	-164.5	-61.6	-62.1	0	0	0	114.8	L249 L250 F270	L249-H253 WeakPolarHBondContact O-CB 3.31Å; L249-H253 PolarHBondContact O-CD2 3.06Å; L249-H253 PolarHBondContact O-N 3.19Å; L250-H253 PolarHBondContact O-N 3.01Å; H253-F270 HydrophobicContact CB-CD2 4.35Å
254	C	97.8	Very high	98	Very high	7 Å²	7	46.4 Å²	46.4	5%	0.047	23%	0.233	C	C	.	.	S	Bend	trans	-122.7	7.3	-172.1	-62.1	0	0	0	0	114	L250 Y256 V267 F270	L250-C254 HydrophobicContact CD2-CB 4.04Å; L250-C254 WeakPolarHBondContact O-CA 3.47Å; L250-C254 WeakPolarHBondContact O-CB 3.48Å; L250-C254 PolarHBondContact O-N 3.33Å; C254-Y256 VanDerWaalsContact C-N 3.34Å; C254-Y256 HydrophobicContact CB-CD2 3.84Å; C254-Y256 HydrophobicContact CB-CE2 3.94Å; C254-Y256 PolarHBondContact O-N 3.15Å; C254-V267 HydrophobicContact CB-CG2 4.22Å; C254-F270 WeakPolarHBondContact SG-CB 3.44Å; C254-F270 VanDerWaalsContact SG-CG 3.56Å
255	G	96.7	Very high	98	Very high	33 Å²	33	45.7 Å²	45.7	34%	0.34	23%	0.228	S	C	.	.			trans	73.2	23.8	178	0	0	0	0	0	114.1	S257 N260	G255-S257 PolarHBondContact O-N 2.89Å; G255-N260 PolarHBondContact O-ND2 3.33Å
256	Y	98.4	Very high	98.1	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.02	21%	0.212	C	C	.	.			trans	-66.9	116.1	171.1	-79.9	-129.1	0	0	0	108.5	Y228 F247 L250 C254 P262 V267 L324 L325 V328	Y228-Y256 HydrophobicContact CE2-CD1 4.41Å; F247-Y256 HydrophobicContact CE2-CD1 4.05Å; F247-Y256 HydrophobicContact CE2-CE1 4.42Å; F247-Y256 HydrophobicContact CZ-CD1 4.24Å; L250-Y256 HydrophobicContact CB-CD1 3.96Å; L250-Y256 HydrophobicContact CB-CD2 3.72Å; L250-Y256 HydrophobicContact CB-CE1 4.16Å; L250-Y256 HydrophobicContact CB-CE2 3.93Å; L250-Y256 HydrophobicContact CB-CG 3.76Å; L250-Y256 HydrophobicContact CD1-CE1 3.98Å; L250-Y256 HydrophobicContact CD1-CE2 4.47Å; L250-Y256 HydrophobicContact CD2-CD2 4.45Å; L250-Y256 HydrophobicContact CD2-CE2 3.9Å; L250-Y256 HydrophobicContact CG-CE2 4.32Å; L250-Y256 PolarHBondContact O-N 3.12Å; C254-Y256 VanDerWaalsContact C-N 3.34Å; C254-Y256 HydrophobicContact CB-CD2 3.84Å; C254-Y256 HydrophobicContact CB-CE2 3.94Å; C254-Y256 PolarHBondContact O-N 3.15Å; Y256-P262 HydrophobicContact CD1-CG 4.31Å; Y256-P262 HydrophobicContact CD2-CB 3.77Å; Y256-P262 HydrophobicContact CD2-CG 3.18Å; Y256-P262 HydrophobicContact CE1-CG 4.37Å; Y256-P262 HydrophobicContact CE2-CB 3.51Å; Y256-P262 HydrophobicContact CE2-CG 3.27Å; Y256-P262 HydrophobicContact CG-CG 3.73Å; Y256-V267 HydrophobicContact CE2-CG2 3.89Å; Y256-L324 HydrophobicContact CE1-CB 4.42Å; Y256-L324 VanDerWaalsContact CE1-O 3.29Å; Y256-L324 WeakPolarHBondContact CE1-O 3.37Å; Y256-L324 PolarHBondContact OH-O 3.06Å; Y256-L325 HydrophobicContact CD1-CD2 4.36Å; Y256-L325 HydrophobicContact CE1-CD2 4.27Å; Y256-V328 WeakPolarHBondContact OH-CG1 3.17Å
257	S	98.2	Very high	98.1	Very high	39 Å²	39	41.6 Å²	41.6	27%	0.273	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-162.8	161.1	174.5	69.3	0	0	0	0	109.2	W224 G255 E259 N260	W224-S257 PolarHBondContact NE1-O 2.89Å; G255-S257 PolarHBondContact O-N 2.89Å; S257-E259 PolarHBondContact O-N 2.94Å; S257-E259 VanDerWaalsContact O-N 3.09Å; S257-E259 PolarHBondContact OG-N 3.17Å; S257-N260 PolarHBondContact O-N 2.88Å; S257-N260 VanDerWaalsContact O-O 3.09Å; S257-N260 PolarHBondContact OG-N 3.11Å
258	P	98	Very high	98.2	Very high	42 Å²	42	41.8 Å²	41.8	27%	0.273	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.5	174.7	-21.1	30.8	0	0	0	113.7	R225 Y228	R225-P258 WeakPolarHBondContact CA-O 3.3Å; R225-P258 WeakPolarHBondContact CB-O 3.19Å; R225-P258 HydrophobicContact CG-CB 3.76Å; R225-P258 WeakPolarHBondContact CG-O 3.33Å; Y228-P258 HydrophobicContact CD1-CB 4.27Å; Y228-P258 HydrophobicContact CD1-CG 3.69Å; Y228-P258 HydrophobicContact CE1-CG 3.91Å
259	E	98.1	Very high	98.2	Very high	113 Å²	113	44.6 Å²	44.6	53%	0.528	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	0.5	-173.7	-56.1	-52.9	133.2	0	0	114.1	R225 S257	R225-E259 WeakPolarHBondContact CD-OE1 3.4Å; R225-E259 IonicContact CZ-OE1 3.16Å; R225-E259 IonicContact CZ-OE2 3.9Å; R225-E259 VanDerWaalsContact CZ-OE2 3.31Å; R225-E259 VanDerWaalsContact NE-CD 3.31Å; R225-E259 IonicContact NE-OE1 3.74Å; R225-E259 PolarHBondContact NE-OE1 3.09Å; R225-E259 IonicContact NE-OE2 3.3Å; R225-E259 PolarHBondContact NE-OE2 2.84Å; R225-E259 VanDerWaalsContact NE-OE2 3.11Å; R225-E259 IonicContact NH2-OE1 3.79Å; R225-E259 IonicContact NH2-OE2 2.69Å; R225-E259 PolarHBondContact NH2-OE2 3.19Å; S257-E259 PolarHBondContact O-N 2.94Å; S257-E259 VanDerWaalsContact O-N 3.09Å; S257-E259 PolarHBondContact OG-N 3.17Å
260	N	98.2	Very high	98.2	Very high	69 Å²	69	43.7 Å²	43.7	37%	0.369	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-149.5	126.3	-176	177.8	73.5	0	0	0	111.6	W224 G255 S257 P262	W224-N260 PolarHBondContact NE1-O 3.04Å; G255-N260 PolarHBondContact O-ND2 3.33Å; S257-N260 PolarHBondContact O-N 2.88Å; S257-N260 VanDerWaalsContact O-O 3.09Å; S257-N260 PolarHBondContact OG-N 3.11Å; N260-P262 WeakPolarHBondContact O-CD 3.34Å
261	I	98.6	Very high	98.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-79.6	119.6	168.8	-58.1	173.6	0	0	0	108.4	Y216 E220 I221 W224 I306 L324	Y216-I261 HydrophobicContact CD1-CD1 3.79Å; Y216-I261 HydrophobicContact CD2-CB 3.62Å; Y216-I261 HydrophobicContact CD2-CD1 4.03Å; Y216-I261 HydrophobicContact CD2-CG1 4.33Å; Y216-I261 HydrophobicContact CD2-CG2 3.94Å; Y216-I261 HydrophobicContact CE1-CD1 4.21Å; Y216-I261 HydrophobicContact CE1-CG2 4.3Å; Y216-I261 HydrophobicContact CE2-CB 3.63Å; Y216-I261 HydrophobicContact CE2-CD1 4.41Å; Y216-I261 HydrophobicContact CE2-CG2 3.4Å; Y216-I261 VanDerWaalsContact CE2-CG2 3.4Å; Y216-I261 HydrophobicContact CG-CB 4.21Å; Y216-I261 HydrophobicContact CG-CD1 3.68Å; Y216-I261 HydrophobicContact CG-CG1 4.44Å; E220-I261 HydrophobicContact CB-CD1 4.38Å; I221-I261 HydrophobicContact CG1-CD1 4.46Å; W224-I261 HydrophobicContact CB-CD1 3.88Å; W224-I261 HydrophobicContact CB-CG1 3.58Å; W224-I261 HydrophobicContact CD2-CB 4.48Å; W224-I261 HydrophobicContact CD2-CG1 3.81Å; W224-I261 HydrophobicContact CE3-CG1 4.17Å; W224-I261 HydrophobicContact CE3-CG2 4.35Å; W224-I261 HydrophobicContact CG-CD1 4.37Å; W224-I261 HydrophobicContact CG-CG1 3.54Å; I261-I306 HydrophobicContact CD1-CD1 3.86Å; I261-L324 HydrophobicContact CG2-CD1 4.18Å
262	P	98.6	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-57.4	143.4	177.9	-24.4	33.3	0	0	0	113	W224 Y256 N260 V267 L324	W224-P262 HydrophobicContact CH2-CG 4.11Å; W224-P262 VanDerWaalsContact CZ2-CD 3.42Å; W224-P262 HydrophobicContact CZ2-CG 4.08Å; Y256-P262 HydrophobicContact CD1-CG 4.31Å; Y256-P262 HydrophobicContact CD2-CB 3.77Å; Y256-P262 HydrophobicContact CD2-CG 3.18Å; Y256-P262 HydrophobicContact CE1-CG 4.37Å; Y256-P262 HydrophobicContact CE2-CB 3.51Å; Y256-P262 HydrophobicContact CE2-CG 3.27Å; Y256-P262 HydrophobicContact CG-CG 3.73Å; N260-P262 WeakPolarHBondContact O-CD 3.34Å; P262-V267 HydrophobicContact CB-CG2 3.84Å; P262-L324 HydrophobicContact CB-CD1 4.19Å; P262-L324 HydrophobicContact CG-CD1 4.29Å
263	Q	98.6	Very high	98.2	Very high	19 Å²	19	44.9 Å²	44.9	9%	0.089	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-91	133	177.1	-63.9	-69.3	-33	0	0	110.2	R213 V214 E265 D266 V267	R213-Q263 VanDerWaalsContact NH2-CG 3.35Å; V214-Q263 PolarHBondContact O-NE2 3.28Å; Q263-E265 PolarHBondContact O-N 3.29Å; Q263-E265 VanDerWaalsContact O-N 3.13Å; Q263-D266 PolarHBondContact O-N 3.15Å; Q263-V267 PolarHBondContact O-N 3.09Å
264	L	98.6	Very high	98.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-34.3	-172.8	-61.8	-162.9	0	0	0	113.5	I211 D266 V267 S268 L279 C302 Q304 L324	I211-L264 HydrophobicContact CB-CB 4.48Å; I211-L264 HydrophobicContact CD1-CB 3.88Å; I211-L264 HydrophobicContact CG2-CB 3.93Å; I211-L264 HydrophobicContact CG2-CD1 4.49Å; L264-D266 VanDerWaalsContact C-N 3.34Å; L264-D266 PolarHBondContact O-N 2.95Å; L264-V267 PolarHBondContact O-N 3.42Å; L264-S268 WeakPolarHBondContact O-CB 3.09Å; L264-S268 PolarHBondContact O-N 3.47Å; L264-L279 HydrophobicContact CB-CD1 4.29Å; L264-L279 HydrophobicContact CD2-CD1 4Å; L264-C302 HydrophobicContact CD1-CB 4.07Å; L264-C302 VanDerWaalsContact CD2-SG 3.55Å; L264-Q304 HydrophobicContact CD1-CG 3.29Å; L264-Q304 HydrophobicContact CG-CG 3.73Å; L264-L324 HydrophobicContact CD2-CD2 3.83Å
265	E	98.5	Very high	98.3	Very high	20 Å²	20	43.8 Å²	43.8	9%	0.093	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-42.2	177.9	177.7	59.5	-162.3	0	0	112.3	P210 I211 Q263 S268 R269	P210-E265 WeakPolarHBondContact CA-OE2 3.47Å; I211-E265 HydrophobicContact CB-CB 4.11Å; I211-E265 PolarHBondContact N-OE2 3.14Å; Q263-E265 PolarHBondContact O-N 3.29Å; Q263-E265 VanDerWaalsContact O-N 3.13Å; E265-S268 PolarHBondContact O-N 2.89Å; E265-R269 WeakPolarHBondContact O-CG 3.42Å; E265-R269 PolarHBondContact O-N 3.18Å; E265-R269 IonicContact OE1-CZ 3.78Å; E265-R269 IonicContact OE1-NE 3.28Å; E265-R269 PolarHBondContact OE1-NE 3.27Å; E265-R269 IonicContact OE1-NH2 2.84Å; E265-R269 PolarHBondContact OE1-NH2 2.91Å
266	D	98.5	Very high	98.3	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.251	21%	0.208	S	C	.	.	H	α-helix	trans	-71.4	-40.7	-178.2	-57.3	-26.1	0	0	0	110.4	R213 Q263 L264 R269 F270	R213-D266 IonicContact CZ-OD1 3.02Å; R213-D266 IonicContact CZ-OD2 3.91Å; R213-D266 VanDerWaalsContact CZ-OD2 3.27Å; R213-D266 IonicContact NH1-OD1 2.7Å; R213-D266 PolarHBondContact NH1-OD1 2.61Å; R213-D266 IonicContact NH1-OD2 3.87Å; R213-D266 PolarHBondContact NH1-OD2 3.18Å; R213-D266 IonicContact NH2-OD1 2.62Å; R213-D266 IonicContact NH2-OD2 3.47Å; R213-D266 PolarHBondContact NH2-OD2 3.31Å; Q263-D266 PolarHBondContact O-N 3.15Å; L264-D266 VanDerWaalsContact C-N 3.34Å; L264-D266 PolarHBondContact O-N 2.95Å; D266-R269 PolarHBondContact O-N 2.81Å; D266-F270 PolarHBondContact O-N 2.88Å; D266-F270 VanDerWaalsContact O-N 3.07Å
267	V	98.7	Very high	98.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-39.9	176.1	-177.4	0	0	0	0	111.4	C254 Y256 P262 Q263 L264 F270 L271 L279 L324 V328	C254-V267 HydrophobicContact CB-CG2 4.22Å; Y256-V267 HydrophobicContact CE2-CG2 3.89Å; P262-V267 HydrophobicContact CB-CG2 3.84Å; Q263-V267 PolarHBondContact O-N 3.09Å; L264-V267 PolarHBondContact O-N 3.42Å; V267-F270 WeakPolarHBondContact O-CB 3.41Å; V267-F270 PolarHBondContact O-N 2.87Å; V267-L271 HydrophobicContact CG1-CD1 4.38Å; V267-L271 PolarHBondContact O-N 2.81Å; V267-L279 HydrophobicContact CB-CD1 3.9Å; V267-L279 HydrophobicContact CG1-CD1 3.7Å; V267-L324 HydrophobicContact CG2-CD2 4.26Å; V267-V328 HydrophobicContact CG1-CB 4.3Å; V267-V328 HydrophobicContact CG1-CG1 3.39Å; V267-V328 HydrophobicContact CG1-CG2 3.9Å
268	S	98.6	Very high	98.3	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-41.2	176.7	-172.8	0	0	0	0	111.7	L264 E265 R272 Q278 L279	L264-S268 WeakPolarHBondContact O-CB 3.09Å; L264-S268 PolarHBondContact O-N 3.47Å; E265-S268 PolarHBondContact O-N 2.89Å; S268-R272 WeakPolarHBondContact O-CB 3.36Å; S268-R272 PolarHBondContact O-N 2.81Å; S268-Q278 WeakPolarHBondContact OG-CB 3.29Å; S268-L279 PolarHBondContact OG-N 3.46Å
269	R	98.3	Very high	98.3	Very high	117 Å²	117	40.5 Å²	40.5	44%	0.442	19%	0.187	S	C	.	.	H	α-helix	trans	-60.7	-47.9	171.8	-72.9	170.8	-170.6	178.7	5.7	111.6	E265 D266 R272 E273	E265-R269 WeakPolarHBondContact O-CG 3.42Å; E265-R269 PolarHBondContact O-N 3.18Å; E265-R269 IonicContact OE1-CZ 3.78Å; E265-R269 IonicContact OE1-NE 3.28Å; E265-R269 PolarHBondContact OE1-NE 3.27Å; E265-R269 IonicContact OE1-NH2 2.84Å; E265-R269 PolarHBondContact OE1-NH2 2.91Å; D266-R269 PolarHBondContact O-N 2.81Å; R269-R272 PolarHBondContact O-N 2.82Å; R269-E273 PolarHBondContact O-N 3.38Å; R269-E273 VanDerWaalsContact O-N 3.16Å
270	F	98.5	Very high	98.3	Very high	18 Å²	18	35.2 Å²	35.2	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-58.1	-52	177.3	173.3	-94.3	0	0	0	112	L249 L250 H253 C254 D266 V267 R272 E273 R274 A332	L249-F270 HydrophobicContact CB-CE2 4.09Å; L249-F270 HydrophobicContact CB-CZ 3.88Å; L250-F270 HydrophobicContact CD2-CD1 3.53Å; L250-F270 HydrophobicContact CD2-CE1 3.5Å; L250-F270 HydrophobicContact CD2-CG 4.24Å; L250-F270 HydrophobicContact CD2-CZ 4.2Å; L250-F270 HydrophobicContact CG-CD1 4.47Å; L250-F270 HydrophobicContact CG-CE1 3.97Å; L250-F270 HydrophobicContact CG-CZ 4.35Å; H253-F270 HydrophobicContact CB-CD2 4.35Å; C254-F270 WeakPolarHBondContact SG-CB 3.44Å; C254-F270 VanDerWaalsContact SG-CG 3.56Å; D266-F270 PolarHBondContact O-N 2.88Å; D266-F270 VanDerWaalsContact O-N 3.07Å; V267-F270 WeakPolarHBondContact O-CB 3.41Å; V267-F270 PolarHBondContact O-N 2.87Å; F270-R272 VanDerWaalsContact C-N 3.25Å; F270-R272 PolarHBondContact O-N 3.45Å; F270-E273 PolarHBondContact O-N 3.48Å; F270-E273 VanDerWaalsContact O-N 3.16Å; F270-R274 HydrophobicContact CD1-CG 4.21Å; F270-R274 HydrophobicContact CD2-CG 4.44Å; F270-R274 HydrophobicContact CE1-CG 3.9Å; F270-R274 HydrophobicContact CE2-CG 4.14Å; F270-R274 HydrophobicContact CG-CG 4.48Å; F270-R274 HydrophobicContact CZ-CG 3.86Å; F270-R274 VanDerWaalsContact O-CG 3.25Å; F270-R274 WeakPolarHBondContact O-CG 3.4Å; F270-R274 PolarHBondContact O-N 3.2Å; F270-R274 VanDerWaalsContact O-N 3.13Å; F270-A332 HydrophobicContact CE1-CB 3.95Å
271	L	98.6	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-38.3	179.1	-74.4	176.8	0	0	0	112.5	V267 E273 R274 T275 G276 F277 L279 V328 L331 A332	V267-L271 HydrophobicContact CG1-CD1 4.38Å; V267-L271 PolarHBondContact O-N 2.81Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-E273 PolarHBondContact O-N 3.43Å; L271-R274 PolarHBondContact O-N 3.02Å; L271-R274 VanDerWaalsContact O-N 3.11Å; L271-T275 PolarHBondContact O-N 2.93Å; L271-T275 PolarHBondContact O-OG1 3.08Å; L271-G276 PolarHBondContact O-N 3.45Å; L271-F277 CarbonylContact C-O 3.55Å; L271-F277 HydrophobicContact CB-CB 4.24Å; L271-F277 VanDerWaalsContact CB-O 3.27Å; L271-F277 WeakPolarHBondContact CB-O 3.49Å; L271-L279 HydrophobicContact CD1-CD2 3.62Å; L271-L279 HydrophobicContact CD1-CG 4.02Å; L271-V328 HydrophobicContact CD1-CG1 4.28Å; L271-V328 HydrophobicContact CD1-CG2 4.37Å; L271-V328 HydrophobicContact CD2-CG1 4.35Å; L271-V328 HydrophobicContact CG-CG1 4.42Å; L271-L331 HydrophobicContact CD2-CB 4.05Å; L271-A332 HydrophobicContact CD2-CB 3.97Å
272	R	97.9	Very high	98	Very high	111 Å²	111	32.4 Å²	32.4	42%	0.419	15%	0.147	S	C	.	.	H	α-helix	trans	-64.6	-39.1	180	178.3	169.6	39.5	158.4	-9	111.7	S268 R269 F270 R274 G276 F277	S268-R272 WeakPolarHBondContact O-CB 3.36Å; S268-R272 PolarHBondContact O-N 2.81Å; R269-R272 PolarHBondContact O-N 2.82Å; F270-R272 VanDerWaalsContact C-N 3.25Å; F270-R272 PolarHBondContact O-N 3.45Å; R272-R274 VanDerWaalsContact C-N 3.31Å; R272-G276 VanDerWaalsContact O-CA 3.32Å; R272-G276 WeakPolarHBondContact O-CA 3.42Å; R272-G276 PolarHBondContact O-N 3.04Å; R272-G276 VanDerWaalsContact O-N 3.11Å; R272-F277 WeakPolarHBondContact CA-O 3.39Å; R272-F277 PolarHBondContact N-O 3.14Å
273	E	97.8	Very high	97.7	Very high	165 Å²	165	32.8 Å²	32.8	77%	0.771	15%	0.15	S	C	*	.	H	α-helix	trans	-69.3	-28.1	174.8	-69.4	178.2	-174.9	0	0	112.8	R269 F270 L271	R269-E273 PolarHBondContact O-N 3.38Å; R269-E273 VanDerWaalsContact O-N 3.16Å; F270-E273 PolarHBondContact O-N 3.48Å; F270-E273 VanDerWaalsContact O-N 3.16Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-E273 PolarHBondContact O-N 3.43Å
274	R	97.7	Very high	97.1	Very high	102 Å²	102	32.4 Å²	32.4	39%	0.385	15%	0.152	S	C	.	.	H	α-helix	trans	-84.5	-51.6	-176.9	-64.9	-61.9	-62.3	-142.7	-8.9	113.4	F270 L271 R272 A332	F270-R274 HydrophobicContact CD1-CG 4.21Å; F270-R274 HydrophobicContact CD2-CG 4.44Å; F270-R274 HydrophobicContact CE1-CG 3.9Å; F270-R274 HydrophobicContact CE2-CG 4.14Å; F270-R274 HydrophobicContact CG-CG 4.48Å; F270-R274 HydrophobicContact CZ-CG 3.86Å; F270-R274 VanDerWaalsContact O-CG 3.25Å; F270-R274 WeakPolarHBondContact O-CG 3.4Å; F270-R274 PolarHBondContact O-N 3.2Å; F270-R274 VanDerWaalsContact O-N 3.13Å; L271-R274 PolarHBondContact O-N 3.02Å; L271-R274 VanDerWaalsContact O-N 3.11Å; R272-R274 VanDerWaalsContact C-N 3.31Å; R274-A332 HydrophobicContact CB-CB 4.44Å; R274-A332 HydrophobicContact CG-CB 4.5Å
275	T	98.3	Very high	96.5	Very high	12 Å²	12	35.5 Å²	35.5	7%	0.074	17%	0.168	C	C	.	.	H	α-helix	trans	-135.8	-3	-168.9	61.3	0	0	0	0	113.2	L271 F277 R298 L331 A332 R334 A337	L271-T275 PolarHBondContact O-N 2.93Å; L271-T275 PolarHBondContact O-OG1 3.08Å; T275-F277 PolarHBondContact O-N 2.86Å; T275-F277 PolarHBondContact OG1-N 3.24Å; T275-R298 WeakPolarHBondContact O-CD 2.93Å; T275-R298 PolarHBondContact O-NH1 3.11Å; T275-L331 VanDerWaalsContact CG2-O 3.29Å; T275-L331 WeakPolarHBondContact CG2-O 3.47Å; T275-L331 PolarHBondContact OG1-O 3.27Å; T275-A332 VanDerWaalsContact CG2-C 3.48Å; T275-A332 VanDerWaalsContact CG2-O 3.3Å; T275-A332 WeakPolarHBondContact CG2-O 3.36Å; T275-R334 HydrophobicContact CG2-CG 4.18Å; T275-A337 HydrophobicContact CG2-CB 3.87Å
276	G	98	Very high	95.9	Very high	25 Å²	25	35.6 Å²	35.6	26%	0.258	17%	0.169	S	C	.	.	S	Bend	trans	76.3	4.2	-172.6	0	0	0	0	0	113.6	L271 R272	L271-G276 PolarHBondContact O-N 3.45Å; R272-G276 VanDerWaalsContact O-CA 3.32Å; R272-G276 WeakPolarHBondContact O-CA 3.42Å; R272-G276 PolarHBondContact O-N 3.04Å; R272-G276 VanDerWaalsContact O-N 3.11Å
277	F	98.5	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.			trans	-70.7	147.9	169.8	-97.4	-101.7	0	0	0	111.5	L271 R272 T275 L295 R298 F300 L331 A337	L271-F277 CarbonylContact C-O 3.55Å; L271-F277 HydrophobicContact CB-CB 4.24Å; L271-F277 VanDerWaalsContact CB-O 3.27Å; L271-F277 WeakPolarHBondContact CB-O 3.49Å; R272-F277 WeakPolarHBondContact CA-O 3.39Å; R272-F277 PolarHBondContact N-O 3.14Å; T275-F277 PolarHBondContact O-N 2.86Å; T275-F277 PolarHBondContact OG1-N 3.24Å; F277-L295 HydrophobicContact CE1-CD2 4.35Å; F277-R298 CarbonylContact C-O 3.51Å; F277-R298 WeakPolarHBondContact CA-O 3.49Å; F277-R298 HydrophobicContact CB-CB 4.41Å; F277-R298 HydrophobicContact CD1-CB 4.13Å; F277-R298 WeakPolarHBondContact CD1-O 3.26Å; F277-R298 HydrophobicContact CD2-CB 3.55Å; F277-R298 HydrophobicContact CD2-CG 3.85Å; F277-R298 HydrophobicContact CE1-CB 4.27Å; F277-R298 HydrophobicContact CE2-CB 3.68Å; F277-R298 HydrophobicContact CE2-CG 3.65Å; F277-R298 HydrophobicContact CG-CB 3.78Å; F277-R298 HydrophobicContact CZ-CB 4.05Å; F277-R298 HydrophobicContact CZ-CG 4.25Å; F277-F300 HydrophobicContact CD1-CB 4.33Å; F277-L331 HydrophobicContact CD1-CD1 4.34Å; F277-L331 HydrophobicContact CD1-CD2 4Å; F277-L331 HydrophobicContact CE1-CD2 3.84Å; F277-L331 HydrophobicContact CG-CD2 4.41Å; F277-L331 HydrophobicContact CZ-CD2 4.12Å; F277-A337 HydrophobicContact CD2-CB 3.76Å; F277-A337 HydrophobicContact CE2-CB 3.75Å; F277-A337 WeakPolarHBondContact CE2-O 3.36Å
278	Q	98.3	Very high	95.2	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.107	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.9	172.4	65.2	-179.3	12.6	0	0	110.4	S268 R298 V299 F300	S268-Q278 WeakPolarHBondContact OG-CB 3.29Å; Q278-R298 PolarHBondContact N-O 3.45Å; Q278-V299 HydrophobicContact CG-CG2 3.85Å; Q278-V299 WeakPolarHBondContact O-CA 3.37Å; Q278-F300 PolarHBondContact O-N 3.19Å
279	L	98.3	Very high	94.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	150.6	175.6	-55	-174.8	0	0	0	110.4	I211 L264 V267 S268 L271 F300 C302 V328	I211-L279 HydrophobicContact CD1-CB 4.15Å; I211-L279 WeakPolarHBondContact CD1-O 3.36Å; L264-L279 HydrophobicContact CB-CD1 4.29Å; L264-L279 HydrophobicContact CD2-CD1 4Å; V267-L279 HydrophobicContact CB-CD1 3.9Å; V267-L279 HydrophobicContact CG1-CD1 3.7Å; S268-L279 PolarHBondContact OG-N 3.46Å; L271-L279 HydrophobicContact CD1-CD2 3.62Å; L271-L279 HydrophobicContact CD1-CG 4.02Å; L279-F300 WeakPolarHBondContact CA-O 3.06Å; L279-F300 HydrophobicContact CD2-CB 4.05Å; L279-F300 HydrophobicContact CD2-CD1 4.05Å; L279-C302 HydrophobicContact CB-CB 4.42Å; L279-C302 HydrophobicContact CD2-CB 4.38Å; L279-V328 HydrophobicContact CD1-CG2 4.3Å; L279-V328 HydrophobicContact CD2-CG2 4.35Å
280	R	97.7	Very high	94.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.1	171	177.9	174.4	177.6	100	11.6	109	D166 Y205 V282 V299 F300 Q301 C302	D166-R280 IonicContact OD1-CZ 3.54Å; D166-R280 IonicContact OD1-NH1 3.4Å; D166-R280 PolarHBondContact OD1-NH1 2.88Å; D166-R280 IonicContact OD1-NH2 3.33Å; D166-R280 PolarHBondContact OD1-NH2 3.36Å; Y205-R280 HydrophobicContact CD1-CG 4.02Å; Y205-R280 HydrophobicContact CE1-CG 3.85Å; R280-V282 PolarHBondContact O-N 2.81Å; R280-V299 HydrophobicContact CB-CG1 3.63Å; R280-F300 PolarHBondContact N-O 3.49Å; R280-Q301 WeakPolarHBondContact O-CA 3.23Å; R280-C302 PolarHBondContact O-N 3.5Å
281	P	96.8	Very high	94.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.7	179.3	29.2	-36.5	0	0	0	110.6	A202 Y205 I211 C302	A202-P281 HydrophobicContact CB-CB 4.18Å; Y205-P281 HydrophobicContact CD1-CG 3.84Å; Y205-P281 HydrophobicContact CD2-CG 3.82Å; Y205-P281 HydrophobicContact CE1-CG 4.49Å; Y205-P281 HydrophobicContact CE2-CG 4.46Å; Y205-P281 HydrophobicContact CG-CG 3.47Å; Y205-P281 VanDerWaalsContact CG-CG 3.47Å; I211-P281 HydrophobicContact CG2-CB 4.24Å; I211-P281 HydrophobicContact CG2-CG 4Å; P281-C302 CarbonylContact C-O 3.58Å; P281-C302 VanDerWaalsContact CA-O 3.31Å; P281-C302 WeakPolarHBondContact CA-O 3.13Å
282	V	94.2	Very high	94.3	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.055	18%	0.176	C	C	.	.			trans	-127.2	141.4	175.8	76.7	0	0	0	0	110.6	A202 R280 G284 L286 Q301 C302 T303	A202-V282 VanDerWaalsContact CB-C 3.48Å; R280-V282 PolarHBondContact O-N 2.81Å; V282-G284 VanDerWaalsContact C-N 3.31Å; V282-G284 WeakPolarHBondContact CG2-O 3.14Å; V282-L286 HydrophobicContact CG2-CD1 4.17Å; V282-L286 HydrophobicContact CG2-CD2 3.61Å; V282-L286 HydrophobicContact CG2-CG 3.82Å; V282-Q301 HydrophobicContact CB-CB 4.15Å; V282-Q301 HydrophobicContact CG1-CB 4.16Å; V282-C302 PolarHBondContact N-O 3.28Å; V282-T303 HydrophobicContact CG1-CG2 3.8Å
283	A	91	Very high	94.3	Very high	8 Å²	8	29.3 Å²	29.3	7%	0.066	16%	0.158	C	C	.	.	S	Bend	trans	-74.5	-22.5	-177.6	0	0	0	0	0	113.2	I172 A202 F203	I172-A283 HydrophobicContact CD1-CB 3.97Å; I172-A283 HydrophobicContact CG1-CB 4.42Å; A202-A283 HydrophobicContact CB-CB 4.1Å; F203-A283 HydrophobicContact CD2-CB 4.31Å; F203-A283 HydrophobicContact CE2-CB 3.85Å; F203-A283 HydrophobicContact CZ-CB 4.19Å
284	G	87	Confident	94.3	Very high	12 Å²	12	21.4 Å²	21.4	12%	0.124	12%	0.121	C	C	.	.	S	Bend	trans	175.9	-156.5	-175.5	0	0	0	0	0	110.1	V282	V282-G284 VanDerWaalsContact C-N 3.31Å; V282-G284 WeakPolarHBondContact CG2-O 3.14Å
285	L	84.5	Confident	94.3	Very high	65 Å²	65	16.6 Å²	16.6	34%	0.34	10%	0.103	S	C	.	.	P	Polyproline II helix	trans	-64.5	143.7	-179.2	-63.9	178.2	0	0	0	112.2	L171 K174 F175 P318	L171-L285 CarbonylContact C-O 3.58Å; L171-L285 PolarHBondContact N-O 3.4Å; K174-L285 HydrophobicContact CB-CD1 4.32Å; F175-L285 HydrophobicContact CD2-CD1 3.67Å; F175-L285 HydrophobicContact CD2-CG 4.46Å; F175-L285 HydrophobicContact CE2-CD1 3.73Å; L285-P318 HydrophobicContact CD2-CG 3.94Å
286	L	87.8	Confident	94.3	Very high	23 Å²	23	16 Å²	16	12%	0.12	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-101.6	169.4	167.9	-57.7	-180	0	0	0	109.2	H169 V282 D290 F291 Q301	H169-L286 VanDerWaalsContact O-CD2 3.28Å; H169-L286 WeakPolarHBondContact O-CD2 3.44Å; V282-L286 HydrophobicContact CG2-CD1 4.17Å; V282-L286 HydrophobicContact CG2-CD2 3.61Å; V282-L286 HydrophobicContact CG2-CG 3.82Å; L286-D290 HydrophobicContact CB-CB 4.22Å; L286-D290 HydrophobicContact CD1-CB 4.49Å; L286-F291 HydrophobicContact CB-CB 4.24Å; L286-Q301 HydrophobicContact CD1-CB 4.17Å; L286-Q301 HydrophobicContact CD1-CG 3.6Å
287	S	88.8	Confident	94.3	Very high	35 Å²	35	15 Å²	15	25%	0.245	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-57.7	145.8	162.6	72.3	0	0	0	0	109.5	R289 D290 F291	S287-R289 PolarHBondContact O-N 3.26Å; S287-D290 PolarHBondContact O-N 2.9Å; S287-D290 VanDerWaalsContact OG-CB 3.31Å; S287-D290 WeakPolarHBondContact OG-CB 3.4Å; S287-D290 VanDerWaalsContact OG-CG 3.25Å; S287-D290 PolarHBondContact OG-N 3.3Å; S287-D290 VanDerWaalsContact OG-N 3.1Å; S287-D290 PolarHBondContact OG-OD2 3.3Å; S287-D290 VanDerWaalsContact OG-OD2 3.07Å; S287-F291 PolarHBondContact O-N 2.76Å
288	A	91.7	Very high	94.3	Very high	43 Å²	43	18 Å²	18	36%	0.355	10%	0.099	S	C	.	.	H	α-helix	trans	-49.6	-44.6	174.7	0	0	0	0	0	111.5	D290 F291 L292 I355 S359	A288-D290 PolarHBondContact O-N 3.2Å; A288-F291 PolarHBondContact O-N 3.25Å; A288-L292 VanDerWaalsContact O-CB 3.32Å; A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 WeakPolarHBondContact O-CG 3.38Å; A288-L292 PolarHBondContact O-N 2.96Å; A288-I355 HydrophobicContact CB-CG2 3.8Å; A288-S359 VanDerWaalsContact CB-OG 3.26Å; A288-S359 WeakPolarHBondContact CB-OG 3.33Å
289	R	93.1	Very high	94.3	Very high	33 Å²	33	16.9 Å²	16.9	13%	0.125	9%	0.094	C	C	.	.	H	α-helix	trans	-58.7	-47.5	177.3	-177	176	-67.6	-74.3	6.4	112.9	S287 A293 A350 E352 I355	S287-R289 PolarHBondContact O-N 3.26Å; R289-A293 WeakPolarHBondContact O-CB 3.15Å; R289-A293 PolarHBondContact O-N 2.88Å; R289-A350 PolarHBondContact NH1-O 2.92Å; R289-A350 PolarHBondContact NH2-O 3.44Å; R289-E352 IonicContact CZ-OE1 2.77Å; R289-E352 VanDerWaalsContact CZ-OE1 3.32Å; R289-E352 IonicContact NE-OE1 3.26Å; R289-E352 PolarHBondContact NE-OE1 2.61Å; R289-E352 VanDerWaalsContact NE-OE1 3.13Å; R289-E352 VanDerWaalsContact NH2-CD 3.28Å; R289-E352 IonicContact NH2-OE1 3.45Å; R289-E352 PolarHBondContact NH2-OE1 2.95Å; R289-E352 IonicContact NH2-OE2 3.15Å; R289-I355 HydrophobicContact CB-CD1 4.48Å; R289-I355 HydrophobicContact CB-CG2 4.44Å; R289-I355 HydrophobicContact CG-CD1 4.45Å; R289-I355 VanDerWaalsContact CZ-CG1 3.48Å
290	D	92.5	Very high	94.3	Very high	10 Å²	10	16.9 Å²	16.9	5%	0.053	9%	0.094	C	C	.	.	H	α-helix	trans	-69.1	-41.3	-179.2	-76.8	-33.7	0	0	0	112.2	C168 H169 L286 S287 A288 S294	C168-D290 HydrophobicContact CB-CB 3.97Å; C168-D290 PolarHBondContact SG-OD1 3.04Å; H169-D290 PolarHBondContact N-OD2 3.05Å; H169-D290 IonicContact ND1-OD2 3.71Å; L286-D290 HydrophobicContact CB-CB 4.22Å; L286-D290 HydrophobicContact CD1-CB 4.49Å; S287-D290 PolarHBondContact O-N 2.9Å; S287-D290 VanDerWaalsContact OG-CB 3.31Å; S287-D290 WeakPolarHBondContact OG-CB 3.4Å; S287-D290 VanDerWaalsContact OG-CG 3.25Å; S287-D290 PolarHBondContact OG-N 3.3Å; S287-D290 VanDerWaalsContact OG-N 3.1Å; S287-D290 PolarHBondContact OG-OD2 3.3Å; S287-D290 VanDerWaalsContact OG-OD2 3.07Å; A288-D290 PolarHBondContact O-N 3.2Å; D290-S294 PolarHBondContact O-N 3.42Å; D290-S294 VanDerWaalsContact O-N 3.14Å; D290-S294 PolarHBondContact O-OG 3.48Å
291	F	94.8	Very high	94.3	Very high	39 Å²	39	17 Å²	17	17%	0.171	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-53	176.7	-178.4	-94	0	0	0	111.1	L286 S287 A288 A293 S294 L295 F300 Q301 Y362	L286-F291 HydrophobicContact CB-CB 4.24Å; S287-F291 PolarHBondContact O-N 2.76Å; A288-F291 PolarHBondContact O-N 3.25Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 3.4Å; F291-S294 VanDerWaalsContact O-CB 3.23Å; F291-S294 WeakPolarHBondContact O-CB 3.36Å; F291-S294 PolarHBondContact O-N 3.01Å; F291-L295 HydrophobicContact CE1-CD1 4.18Å; F291-L295 HydrophobicContact CE1-CD2 4.45Å; F291-L295 HydrophobicContact CE1-CG 4.47Å; F291-L295 PolarHBondContact O-N 3.08Å; F291-F300 HydrophobicContact CE2-CE2 4.32Å; F291-F300 HydrophobicContact CZ-CD2 4.23Å; F291-F300 AromaticContact CZ-CE2 3.71Å; F291-F300 HydrophobicContact CZ-CE2 3.71Å; F291-F300 HydrophobicContact CZ-CZ 4.27Å; F291-Q301 HydrophobicContact CD2-CB 3.9Å; F291-Q301 HydrophobicContact CD2-CG 4.14Å; F291-Q301 HydrophobicContact CE2-CB 3.95Å; F291-Y362 AromaticContact CE1-CE1 3.96Å; F291-Y362 HydrophobicContact CE1-CE1 3.96Å; F291-Y362 AromaticContact CE1-CE2 3.93Å; F291-Y362 HydrophobicContact CE1-CE2 3.93Å; F291-Y362 AromaticContact CE1-CZ 3.53Å; F291-Y362 WeakPolarHBondContact CE1-OH 3.45Å; F291-Y362 WeakPolarHBondContact CZ-OH 3.27Å
292	L	96.8	Very high	94.3	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-39.3	179.5	-62.8	175.3	0	0	0	111.3	A288 S294 L295 I343 G344 L358 Y362	A288-L292 VanDerWaalsContact O-CB 3.32Å; A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 WeakPolarHBondContact O-CG 3.38Å; A288-L292 PolarHBondContact O-N 2.96Å; L292-S294 PolarHBondContact O-N 3.21Å; L292-L295 HydrophobicContact CD2-CD1 4.08Å; L292-L295 WeakPolarHBondContact O-CB 3.46Å; L292-L295 PolarHBondContact O-N 2.92Å; L292-L295 VanDerWaalsContact O-N 3.08Å; L292-I343 HydrophobicContact CD2-CG2 3.79Å; L292-G344 WeakPolarHBondContact O-CA 3.26Å; L292-L358 HydrophobicContact CD1-CB 4.04Å; L292-Y362 HydrophobicContact CD2-CD2 4.05Å; L292-Y362 HydrophobicContact CD2-CG 4.22Å
293	A	96.3	Very high	94.3	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.033	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-32.6	175.4	0	0	0	0	0	112.5	P159 R289 F291 L295 A296 F297 S347 L348	P159-A293 HydrophobicContact CG-CB 4.15Å; R289-A293 WeakPolarHBondContact O-CB 3.15Å; R289-A293 PolarHBondContact O-N 2.88Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 3.4Å; A293-L295 VanDerWaalsContact C-N 3.33Å; A293-L295 PolarHBondContact O-N 3.34Å; A293-A296 VanDerWaalsContact O-CB 3.26Å; A293-A296 WeakPolarHBondContact O-CB 3.48Å; A293-A296 PolarHBondContact O-N 3.5Å; A293-F297 WeakPolarHBondContact O-CD2 3.32Å; A293-S347 PolarHBondContact N-OG 3.34Å; A293-L348 HydrophobicContact CB-CD2 3.79Å
294	S	97.6	Very high	94.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-39	175.9	-55.7	0	0	0	0	111.8	D290 F291 L292 A296 F297 V299 Q301	D290-S294 PolarHBondContact O-N 3.42Å; D290-S294 VanDerWaalsContact O-N 3.14Å; D290-S294 PolarHBondContact O-OG 3.48Å; F291-S294 VanDerWaalsContact O-CB 3.23Å; F291-S294 WeakPolarHBondContact O-CB 3.36Å; F291-S294 PolarHBondContact O-N 3.01Å; L292-S294 PolarHBondContact O-N 3.21Å; S294-A296 PolarHBondContact O-N 2.89Å; S294-F297 PolarHBondContact O-N 2.87Å; S294-V299 CarbonylContact C-O 3.6Å; S294-V299 WeakPolarHBondContact CB-O 3.38Å; S294-V299 WeakPolarHBondContact O-CB 3.39Å; S294-V299 PolarHBondContact O-N 2.87Å; S294-Q301 PolarHBondContact OG-NE2 3.29Å
295	L	98.2	Very high	95.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-28.2	178.1	-55.3	179.1	0	0	0	112.5	F277 F291 L292 A293 F297 R298 V299 F300 Y362	F277-L295 HydrophobicContact CE1-CD2 4.35Å; F291-L295 HydrophobicContact CE1-CD1 4.18Å; F291-L295 HydrophobicContact CE1-CD2 4.45Å; F291-L295 HydrophobicContact CE1-CG 4.47Å; F291-L295 PolarHBondContact O-N 3.08Å; L292-L295 HydrophobicContact CD2-CD1 4.08Å; L292-L295 WeakPolarHBondContact O-CB 3.46Å; L292-L295 PolarHBondContact O-N 2.92Å; L292-L295 VanDerWaalsContact O-N 3.08Å; A293-L295 VanDerWaalsContact C-N 3.33Å; A293-L295 PolarHBondContact O-N 3.34Å; L295-F297 PolarHBondContact O-N 3.08Å; L295-R298 PolarHBondContact O-N 3.41Å; L295-V299 PolarHBondContact N-O 3.15Å; L295-F300 HydrophobicContact CD2-CD2 4.06Å; L295-Y362 HydrophobicContact CD1-CD2 4Å; L295-Y362 HydrophobicContact CD1-CE2 3.62Å
296	A	98.2	Very high	95.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-32.6	176.9	0	0	0	0	0	112.3	A293 S294 R298 Q341 L345 L348 I458	A293-A296 VanDerWaalsContact O-CB 3.26Å; A293-A296 WeakPolarHBondContact O-CB 3.48Å; A293-A296 PolarHBondContact O-N 3.5Å; S294-A296 PolarHBondContact O-N 2.89Å; A296-R298 VanDerWaalsContact C-N 3.29Å; A296-Q341 PolarHBondContact O-NE2 3.08Å; A296-L345 HydrophobicContact CB-CD2 4.11Å; A296-L345 HydrophobicContact CB-CG 4.31Å; A296-L348 HydrophobicContact CB-CD1 3.81Å; A296-L348 HydrophobicContact CB-CD2 4.03Å; A296-L348 HydrophobicContact CB-CG 4.06Å; A296-I458 HydrophobicContact CB-CD1 4.27Å
297	F	98.4	Very high	96	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.009	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	7.5	177.1	-65.2	-90.1	0	0	0	113.1	P159 K161 I162 L165 A293 S294 L295 V299 F451 I458	P159-F297 HydrophobicContact CB-CE2 4.16Å; P159-F297 HydrophobicContact CB-CZ 4.29Å; P159-F297 HydrophobicContact CG-CE2 3.89Å; P159-F297 HydrophobicContact CG-CZ 4.49Å; P159-F297 VanDerWaalsContact O-CZ 3.27Å; P159-F297 WeakPolarHBondContact O-CZ 3.49Å; K161-F297 VanDerWaalsContact C-CE1 3.46Å; I162-F297 HydrophobicContact CB-CD1 3.82Å; I162-F297 HydrophobicContact CB-CE1 4.38Å; I162-F297 HydrophobicContact CB-CG 4.47Å; I162-F297 HydrophobicContact CD1-CB 4.26Å; I162-F297 HydrophobicContact CG1-CB 4.18Å; I162-F297 HydrophobicContact CG1-CD1 4.23Å; I162-F297 HydrophobicContact CG1-CG 4.42Å; L165-F297 HydrophobicContact CD1-CB 4.3Å; L165-F297 HydrophobicContact CD1-CD2 4.26Å; L165-F297 HydrophobicContact CD1-CG 4.36Å; L165-F297 HydrophobicContact CD2-CD2 4.23Å; L165-F297 HydrophobicContact CD2-CE2 4.43Å; L165-F297 HydrophobicContact CG-CD2 4.47Å; A293-F297 WeakPolarHBondContact O-CD2 3.32Å; S294-F297 PolarHBondContact O-N 2.87Å; L295-F297 PolarHBondContact O-N 3.08Å; F297-V299 HydrophobicContact CB-CG2 3.86Å; F297-V299 PolarHBondContact O-N 3.29Å; F297-F451 HydrophobicContact CB-CE2 4.45Å; F297-F451 HydrophobicContact CD1-CD2 4.41Å; F297-F451 AromaticContact CD1-CE2 4Å; F297-F451 HydrophobicContact CD1-CE2 4Å; F297-I458 HydrophobicContact CE1-CD1 4.36Å; F297-I458 HydrophobicContact CE1-CG1 3.76Å; F297-I458 HydrophobicContact CE2-CD1 4.48Å; F297-I458 HydrophobicContact CE2-CG1 3.93Å; F297-I458 HydrophobicContact CZ-CB 4.48Å; F297-I458 HydrophobicContact CZ-CD1 4.21Å; F297-I458 HydrophobicContact CZ-CG1 3.37Å
298	R	98.5	Very high	96.4	Very high	63 Å²	63	12.3 Å²	12.3	24%	0.238	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	37.9	-167.2	-54.6	-170	176.2	162.8	8.3	112.1	T275 F277 Q278 L295 A296 Q341	T275-R298 WeakPolarHBondContact O-CD 2.93Å; T275-R298 PolarHBondContact O-NH1 3.11Å; F277-R298 CarbonylContact C-O 3.51Å; F277-R298 WeakPolarHBondContact CA-O 3.49Å; F277-R298 HydrophobicContact CB-CB 4.41Å; F277-R298 HydrophobicContact CD1-CB 4.13Å; F277-R298 WeakPolarHBondContact CD1-O 3.26Å; F277-R298 HydrophobicContact CD2-CB 3.55Å; F277-R298 HydrophobicContact CD2-CG 3.85Å; F277-R298 HydrophobicContact CE1-CB 4.27Å; F277-R298 HydrophobicContact CE2-CB 3.68Å; F277-R298 HydrophobicContact CE2-CG 3.65Å; F277-R298 HydrophobicContact CG-CB 3.78Å; F277-R298 HydrophobicContact CZ-CB 4.05Å; F277-R298 HydrophobicContact CZ-CG 4.25Å; Q278-R298 PolarHBondContact N-O 3.45Å; L295-R298 PolarHBondContact O-N 3.41Å; A296-R298 VanDerWaalsContact C-N 3.29Å; R298-Q341 HydrophobicContact CG-CB 4.48Å; R298-Q341 HydrophobicContact CG-CG 4.23Å; R298-Q341 VanDerWaalsContact CZ-OE1 3.31Å
299	V	98.5	Very high	96.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.8	175.2	179.9	0	0	0	0	108.7	I162 L165 Q278 R280 S294 L295 F297	I162-V299 HydrophobicContact CD1-CG2 3.78Å; I162-V299 HydrophobicContact CG1-CG2 3.99Å; L165-V299 HydrophobicContact CD1-CB 3.86Å; L165-V299 HydrophobicContact CD1-CG1 4.05Å; L165-V299 HydrophobicContact CD1-CG2 3.77Å; Q278-V299 HydrophobicContact CG-CG2 3.85Å; Q278-V299 WeakPolarHBondContact O-CA 3.37Å; R280-V299 HydrophobicContact CB-CG1 3.63Å; S294-V299 CarbonylContact C-O 3.6Å; S294-V299 WeakPolarHBondContact CB-O 3.38Å; S294-V299 WeakPolarHBondContact O-CB 3.39Å; S294-V299 PolarHBondContact O-N 2.87Å; L295-V299 PolarHBondContact N-O 3.15Å; F297-V299 HydrophobicContact CB-CG2 3.86Å; F297-V299 PolarHBondContact O-N 3.29Å
300	F	98.3	Very high	96.6	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.013	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.6	172.8	-172.8	-94.4	0	0	0	109.7	F277 Q278 L279 R280 F291 L295 C302 E323 H327 L331	F277-F300 HydrophobicContact CD1-CB 4.33Å; Q278-F300 PolarHBondContact O-N 3.19Å; L279-F300 WeakPolarHBondContact CA-O 3.06Å; L279-F300 HydrophobicContact CD2-CB 4.05Å; L279-F300 HydrophobicContact CD2-CD1 4.05Å; R280-F300 PolarHBondContact N-O 3.49Å; F291-F300 HydrophobicContact CE2-CE2 4.32Å; F291-F300 HydrophobicContact CZ-CD2 4.23Å; F291-F300 AromaticContact CZ-CE2 3.71Å; F291-F300 HydrophobicContact CZ-CE2 3.71Å; F291-F300 HydrophobicContact CZ-CZ 4.27Å; L295-F300 HydrophobicContact CD2-CD2 4.06Å; F300-C302 HydrophobicContact CD1-CB 4.04Å; F300-C302 HydrophobicContact CE1-CB 4.27Å; F300-E323 VanDerWaalsContact CE1-OE2 3.22Å; F300-E323 WeakPolarHBondContact CE1-OE2 3.38Å; F300-E323 WeakPolarHBondContact CZ-OE2 3.36Å; F300-H327 HydrophobicContact CE1-CB 4.02Å; F300-H327 HydrophobicContact CE2-CB 4.14Å; F300-H327 AromaticContact CE2-CG 3.74Å; F300-H327 AromaticContact CE2-ND1 3.74Å; F300-H327 HydrophobicContact CZ-CB 3.71Å; F300-H327 AromaticContact CZ-CD2 3.32Å; F300-H327 WeakPolarHBondContact CZ-CD2 3.47Å; F300-H327 AromaticContact CZ-CG 3.34Å; F300-H327 AromaticContact CZ-ND1 3.8Å; F300-H327 AromaticContact CZ-NE2 3.74Å; F300-L331 HydrophobicContact CB-CD1 3.88Å; F300-L331 HydrophobicContact CD1-CD1 4.35Å; F300-L331 HydrophobicContact CD2-CD1 3.79Å; F300-L331 HydrophobicContact CE2-CD1 4.47Å; F300-L331 HydrophobicContact CG-CD1 3.73Å
301	Q	96.5	Very high	96.4	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.014	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.3	179.3	-59.3	-79.5	4.3	0	0	107.7	R280 V282 L286 F291 S294	R280-Q301 WeakPolarHBondContact O-CA 3.23Å; V282-Q301 HydrophobicContact CB-CB 4.15Å; V282-Q301 HydrophobicContact CG1-CB 4.16Å; L286-Q301 HydrophobicContact CD1-CB 4.17Å; L286-Q301 HydrophobicContact CD1-CG 3.6Å; F291-Q301 HydrophobicContact CD2-CB 3.9Å; F291-Q301 HydrophobicContact CD2-CG 4.14Å; F291-Q301 HydrophobicContact CE2-CB 3.95Å; S294-Q301 PolarHBondContact OG-NE2 3.29Å
302	C	96.7	Very high	96.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.8	-165.1	-179.7	0	0	0	0	110.2	L264 L279 R280 P281 V282 F300 E323	L264-C302 HydrophobicContact CD1-CB 4.07Å; L264-C302 VanDerWaalsContact CD2-SG 3.55Å; L279-C302 HydrophobicContact CB-CB 4.42Å; L279-C302 HydrophobicContact CD2-CB 4.38Å; R280-C302 PolarHBondContact O-N 3.5Å; P281-C302 CarbonylContact C-O 3.58Å; P281-C302 VanDerWaalsContact CA-O 3.31Å; P281-C302 WeakPolarHBondContact CA-O 3.13Å; V282-C302 PolarHBondContact N-O 3.28Å; F300-C302 HydrophobicContact CD1-CB 4.04Å; F300-C302 HydrophobicContact CE1-CB 4.27Å; C302-E323 WeakPolarHBondContact SG-CB 3.12Å
303	T	96.2	Very high	95.7	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	10%	0.101	C	C	.	.			trans	-76.7	154.5	176.8	63.8	0	0	0	0	111.2	V282 Y305 P318 D319 C320	V282-T303 HydrophobicContact CG1-CG2 3.8Å; T303-Y305 HydrophobicContact CG2-CD1 4.46Å; T303-Y305 HydrophobicContact CG2-CE1 3.61Å; T303-P318 WeakPolarHBondContact CB-O 3.45Å; T303-P318 VanDerWaalsContact CG2-O 3.23Å; T303-P318 WeakPolarHBondContact CG2-O 3.29Å; T303-P318 PolarHBondContact OG1-O 3.46Å; T303-D319 VanDerWaalsContact OG1-C 3.31Å; T303-D319 WeakPolarHBondContact OG1-CA 3.33Å; T303-C320 PolarHBondContact OG1-N 3.06Å
304	Q	97.6	Very high	94.7	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.019	12%	0.123	C	C	.	.			trans	-112.9	-7.8	178.3	-72.6	-171.9	-88.5	0	0	113.5	I198 P212 V214 Y216 L264	I198-Q304 HydrophobicContact CG2-CB 3.53Å; P212-Q304 PolarHBondContact O-NE2 3.11Å; V214-Q304 HydrophobicContact CG2-CB 4.3Å; Y216-Q304 WeakPolarHBondContact CE1-O 3.47Å; Y216-Q304 PolarHBondContact OH-O 3.3Å; Y216-Q304 VanDerWaalsContact OH-O 3.09Å; L264-Q304 HydrophobicContact CD1-CG 3.29Å; L264-Q304 HydrophobicContact CG-CG 3.73Å
305	Y	96.4	Very high	93.8	Very high	7 Å²	7	24 Å²	24	3%	0.027	13%	0.133	C	C	.	.			trans	-84	155.1	177.2	60.3	-99.3	0	0	0	110	R195 T303 E317 P318 D319 C320	R195-Y305 VanDerWaalsContact CD-CB 3.45Å; R195-Y305 VanDerWaalsContact CD-CG 3.45Å; R195-Y305 VanDerWaalsContact NE-CG 3.25Å; T303-Y305 HydrophobicContact CG2-CD1 4.46Å; T303-Y305 HydrophobicContact CG2-CE1 3.61Å; Y305-E317 HydrophobicContact CE2-CG 3.96Å; Y305-E317 VanDerWaalsContact CE2-OE1 3.28Å; Y305-E317 WeakPolarHBondContact CE2-OE1 3.32Å; Y305-E317 PolarHBondContact OH-OE2 3.4Å; Y305-P318 PolarHBondContact OH-O 3.21Å; Y305-D319 HydrophobicContact CD2-CB 4.02Å; Y305-D319 HydrophobicContact CE2-CB 3.85Å; Y305-C320 WeakPolarHBondContact O-CB 3.23Å; Y305-C320 PolarHBondContact O-N 2.84Å; Y305-C320 PolarHBondContact O-SG 3.36Å
306	I	96.9	Very high	92.6	Very high	4 Å²	4	26 Å²	26	2%	0.021	15%	0.147	C	C	.	.			trans	-104.2	151.8	173.2	-167.4	158	0	0	0	110.2	Y191 E220 T223 W224 I261 V321	Y191-I306 WeakPolarHBondContact CE2-O 3.48Å; Y191-I306 PolarHBondContact OH-O 2.86Å; E220-I306 HydrophobicContact CB-CG2 3.73Å; E220-I306 HydrophobicContact CG-CG2 3.52Å; E220-I306 WeakPolarHBondContact O-CD1 3.14Å; T223-I306 HydrophobicContact CG2-CD1 4.18Å; T223-I306 HydrophobicContact CG2-CG1 4.22Å; W224-I306 HydrophobicContact CB-CD1 3.79Å; I261-I306 HydrophobicContact CD1-CD1 3.86Å; I306-V321 HydrophobicContact CD1-CG2 3.95Å; I306-V321 HydrophobicContact CG1-CG2 4.01Å
307	R	95.1	Very high	91.8	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.042	15%	0.148	C	C	.	.			trans	-54.3	156	172.1	65.3	-168.9	64.5	-175	-7.6	111.7	T223 P312 D319	T223-R307 HydrophobicContact CG2-CG 3.82Å; R307-P312 WeakPolarHBondContact CD-O 3.16Å; R307-P312 PolarHBondContact NH1-O 3.45Å; R307-D319 HydrophobicContact CB-CB 4.28Å; R307-D319 VanDerWaalsContact CB-OD2 3.27Å; R307-D319 WeakPolarHBondContact CB-OD2 3.48Å; R307-D319 WeakPolarHBondContact CG-OD2 3.37Å; R307-D319 IonicContact CZ-OD1 2.76Å; R307-D319 IonicContact CZ-OD2 3.54Å; R307-D319 PolarHBondContact N-OD2 3.02Å; R307-D319 IonicContact NE-OD1 3.19Å; R307-D319 PolarHBondContact NE-OD1 2.83Å; R307-D319 IonicContact NE-OD2 3.45Å; R307-D319 PolarHBondContact NE-OD2 3.44Å; R307-D319 IonicContact NH2-OD1 2.72Å; R307-D319 PolarHBondContact NH2-OD1 2.88Å; R307-D319 IonicContact NH2-OD2 3.32Å
308	H	95.5	Very high	91.4	Very high	27 Å²	27	27.6 Å²	27.6	13%	0.125	16%	0.156	C	C	.	.			trans	-67	137	-179.5	-171.2	-94.1	0	0	0	112.2	P184 D188 Y191 S310 S311	P184-H308 HydrophobicContact CB-CB 4.08Å; D188-H308 IonicContact OD2-CD2 2.66Å; D188-H308 IonicContact OD2-NE2 3.46Å; D188-H308 PolarHBondContact OD2-NE2 2.99Å; Y191-H308 HydrophobicContact CD2-CB 4.44Å; Y191-H308 AromaticContact CD2-CD2 3.67Å; Y191-H308 HydrophobicContact CE2-CB 4.12Å; Y191-H308 AromaticContact CG-CD2 3.65Å; H308-S310 PolarHBondContact CE1-OG 3.35Å; H308-S310 WeakPolarHBondContact ND1-CB 3.37Å; H308-S310 PolarHBondContact ND1-N 3.26Å; H308-S310 PolarHBondContact ND1-OG 3.2Å; H308-S310 PolarHBondContact O-N 3.48Å; H308-S310 VanDerWaalsContact O-N 3.08Å; H308-S311 PolarHBondContact O-N 2.89Å; H308-S311 VanDerWaalsContact O-N 3.07Å
309	A	95.2	Very high	91.2	Very high	35 Å²	35	24.6 Å²	24.6	29%	0.289	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.7	-173.1	0	0	0	0	0	114.7	E219 T223 S311 P312	E219-A309 HydrophobicContact CG-CB 3.85Å; T223-A309 WeakPolarHBondContact OG1-CB 3.31Å; A309-S311 PolarHBondContact O-N 3.35Å; A309-P312 WeakPolarHBondContact O-CD 3.29Å
310	S	93.6	Very high	91.2	Very high	75 Å²	75	24.6 Å²	24.6	52%	0.524	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.1	175.4	70.9	0	0	0	0	114.1	H308	H308-S310 PolarHBondContact CE1-OG 3.35Å; H308-S310 WeakPolarHBondContact ND1-CB 3.37Å; H308-S310 PolarHBondContact ND1-N 3.26Å; H308-S310 PolarHBondContact ND1-OG 3.2Å; H308-S310 PolarHBondContact O-N 3.48Å; H308-S310 VanDerWaalsContact O-N 3.08Å
311	S	89.9	Confident	91.1	Very high	43 Å²	43	24.4 Å²	24.4	30%	0.301	14%	0.144	S	C	.	.			trans	-144.3	61	-178.6	-64.9	0	0	0	0	111.1	H308 A309 M313 H314	H308-S311 PolarHBondContact O-N 2.89Å; H308-S311 VanDerWaalsContact O-N 3.07Å; A309-S311 PolarHBondContact O-N 3.35Å; S311-M313 PolarHBondContact O-N 3.13Å; S311-H314 PolarHBondContact O-N 3.38Å
312	P	89.5	Confident	91.1	Very high	17 Å²	17	25.3 Å²	25.3	11%	0.11	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.6	-174.7	24.3	-33.3	0	0	0	112.5	T223 E226 V227 R307 A309 H314	T223-P312 HydrophobicContact CG2-CB 4.13Å; E226-P312 VanDerWaalsContact OE1-CG 3.25Å; E226-P312 WeakPolarHBondContact OE1-CG 3.39Å; V227-P312 HydrophobicContact CG2-CB 4.07Å; V227-P312 WeakPolarHBondContact CG2-O 3.47Å; R307-P312 WeakPolarHBondContact CD-O 3.16Å; R307-P312 PolarHBondContact NH1-O 3.45Å; A309-P312 WeakPolarHBondContact O-CD 3.29Å; P312-H314 PolarHBondContact O-N 2.72Å
313	M	86.5	Confident	91.2	Very high	68 Å²	68	25.7 Å²	25.7	34%	0.335	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.1	-176.2	-61.2	-57.5	175.4	0	0	114.8	E226 T230 S311	E226-M313 HydrophobicContact CG-CE 3.73Å; T230-M313 HydrophobicContact CG2-CE 3.98Å; T230-M313 HydrophobicContact CG2-SD 4.34Å; T230-M313 VanDerWaalsContact OG1-CE 3.31Å; T230-M313 WeakPolarHBondContact OG1-CE 3.49Å; S311-M313 PolarHBondContact O-N 3.13Å
314	H	76.5	Confident	91.3	Very high	110 Å²	110	25.6 Å²	25.6	51%	0.509	15%	0.149	S	C	.	.			trans	-145.2	127.9	-179.1	177.9	71.4	0	0	0	110.9	S311 P312	S311-H314 PolarHBondContact O-N 3.38Å; P312-H314 PolarHBondContact O-N 2.72Å
315	S	77.4	Confident	91.3	Very high	29 Å²	29	25.4 Å²	25.4	20%	0.203	15%	0.148	C	C	.	.			trans	-131.9	128.3	173.2	-173.3	0	0	0	0	109.2	E317	S315-E317 WeakPolarHBondContact CB-O 3.3Å; S315-E317 PolarHBondContact O-N 3.21Å; S315-E317 WeakPolarHBondContact OG-CG 3.33Å; S315-E317 PolarHBondContact OG-N 3.16Å; S315-E317 PolarHBondContact OG-O 2.6Å
316	P	73.2	Confident	91.4	Very high	44 Å²	44	25 Å²	25	29%	0.286	15%	0.147	S	C	.	.	S	Bend	trans	-73.7	-13.3	170.6	32.3	-35.1	0	0	0	112	F175	F175-P316 HydrophobicContact CD1-CB 3.94Å; F175-P316 HydrophobicContact CD1-CG 4.49Å; F175-P316 HydrophobicContact CE1-CB 3.97Å; F175-P316 WeakPolarHBondContact CE1-O 3.2Å; F175-P316 VanDerWaalsContact CZ-O 3.29Å; F175-P316 WeakPolarHBondContact CZ-O 3.31Å
317	E	81.4	Confident	91.4	Very high	7 Å²	7	25.1 Å²	25.1	3%	0.033	15%	0.147	C	C	.	.	S	Bend	trans	-117.9	150.6	-176.4	55	179.3	-170.1	0	0	112.6	F175 H183 Y191 R195 Y305 S315 D319	F175-E317 HydrophobicContact CB-CB 3.8Å; F175-E317 HydrophobicContact CD2-CB 4.49Å; F175-E317 HydrophobicContact CG-CB 4.24Å; F175-E317 VanDerWaalsContact O-OE2 3.06Å; H183-E317 IonicContact CE1-OE1 3.1Å; H183-E317 IonicContact NE2-OE1 3.97Å; H183-E317 PolarHBondContact NE2-OE1 2.69Å; H183-E317 IonicContact NE2-OE2 3.79Å; Y191-E317 PolarHBondContact OH-OE1 3.01Å; R195-E317 IonicContact CZ-OE1 3.99Å; R195-E317 IonicContact CZ-OE2 2.9Å; R195-E317 IonicContact NH1-OE1 3.55Å; R195-E317 PolarHBondContact NH1-OE1 3.09Å; R195-E317 IonicContact NH1-OE2 3.93Å; R195-E317 PolarHBondContact NH1-OE2 3.13Å; R195-E317 IonicContact NH2-OE1 2.75Å; R195-E317 IonicContact NH2-OE2 3.86Å; R195-E317 PolarHBondContact NH2-OE2 3.38Å; Y305-E317 HydrophobicContact CE2-CG 3.96Å; Y305-E317 VanDerWaalsContact CE2-OE1 3.28Å; Y305-E317 WeakPolarHBondContact CE2-OE1 3.32Å; Y305-E317 PolarHBondContact OH-OE2 3.4Å; S315-E317 WeakPolarHBondContact CB-O 3.3Å; S315-E317 PolarHBondContact O-N 3.21Å; S315-E317 WeakPolarHBondContact OG-CG 3.33Å; S315-E317 PolarHBondContact OG-N 3.16Å; S315-E317 PolarHBondContact OG-O 2.6Å; E317-D319 VanDerWaalsContact C-N 3.33Å; E317-D319 PolarHBondContact O-N 2.77Å
318	P	90	Very high	91.6	Very high	27 Å²	27	24.6 Å²	24.6	18%	0.175	15%	0.145	C	C	.	.			trans	-75.7	85.5	174.6	32.1	-34.5	0	0	0	109.7	L285 T303 Y305 H322	L285-P318 HydrophobicContact CD2-CG 3.94Å; T303-P318 WeakPolarHBondContact CB-O 3.45Å; T303-P318 VanDerWaalsContact CG2-O 3.23Å; T303-P318 WeakPolarHBondContact CG2-O 3.29Å; T303-P318 PolarHBondContact OG1-O 3.46Å; Y305-P318 PolarHBondContact OH-O 3.21Å; P318-H322 VanDerWaalsContact CB-CD2 3.45Å; P318-H322 WeakPolarHBondContact CB-CD2 3.44Å
319	D	95.3	Very high	91.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.139	C	C	.	.			trans	-79.7	173.8	174.1	77.9	-41.6	0	0	0	111.7	T303 Y305 R307 E317 V321 H322 E323	T303-D319 VanDerWaalsContact OG1-C 3.31Å; T303-D319 WeakPolarHBondContact OG1-CA 3.33Å; Y305-D319 HydrophobicContact CD2-CB 4.02Å; Y305-D319 HydrophobicContact CE2-CB 3.85Å; R307-D319 HydrophobicContact CB-CB 4.28Å; R307-D319 VanDerWaalsContact CB-OD2 3.27Å; R307-D319 WeakPolarHBondContact CB-OD2 3.48Å; R307-D319 WeakPolarHBondContact CG-OD2 3.37Å; R307-D319 IonicContact CZ-OD1 2.76Å; R307-D319 IonicContact CZ-OD2 3.54Å; R307-D319 PolarHBondContact N-OD2 3.02Å; R307-D319 IonicContact NE-OD1 3.19Å; R307-D319 PolarHBondContact NE-OD1 2.83Å; R307-D319 IonicContact NE-OD2 3.45Å; R307-D319 PolarHBondContact NE-OD2 3.44Å; R307-D319 IonicContact NH2-OD1 2.72Å; R307-D319 PolarHBondContact NH2-OD1 2.88Å; R307-D319 IonicContact NH2-OD2 3.32Å; E317-D319 VanDerWaalsContact C-N 3.33Å; E317-D319 PolarHBondContact O-N 2.77Å; D319-V321 PolarHBondContact O-N 3.07Å; D319-V321 WeakPolarHBondContact OD2-CB 3.39Å; D319-V321 WeakPolarHBondContact OD2-CG2 3.43Å; D319-H322 WeakPolarHBondContact O-CA 3.39Å; D319-H322 WeakPolarHBondContact O-CB 3.23Å; D319-H322 PolarHBondContact O-N 3.46Å; D319-H322 PolarHBondContact OD1-N 3.3Å; D319-E323 WeakPolarHBondContact O-CG 3.41Å; D319-E323 PolarHBondContact O-N 3.1Å; D319-E323 VanDerWaalsContact O-N 3.15Å
320	C	97	Very high	91.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-23.6	-176.6	69.5	0	0	0	0	113.6	T303 Y305 L324	T303-C320 PolarHBondContact OG1-N 3.06Å; Y305-C320 WeakPolarHBondContact O-CB 3.23Å; Y305-C320 PolarHBondContact O-N 2.84Å; Y305-C320 PolarHBondContact O-SG 3.36Å; C320-L324 HydrophobicContact CB-CD1 4.24Å; C320-L324 WeakPolarHBondContact O-CB 3.37Å; C320-L324 WeakPolarHBondContact O-CG 3.38Å; C320-L324 PolarHBondContact O-N 2.95Å
321	V	97.4	Very high	92.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-48.8	170.6	172.8	0	0	0	0	110.5	W224 V227 I306 D319 E323 L325	W224-V321 HydrophobicContact CE3-CG2 3.9Å; W224-V321 HydrophobicContact CZ3-CG2 4.42Å; V227-V321 HydrophobicContact CB-CG1 4.15Å; V227-V321 HydrophobicContact CG1-CG1 3.49Å; V227-V321 VanDerWaalsContact CG1-CG1 3.49Å; I306-V321 HydrophobicContact CD1-CG2 3.95Å; I306-V321 HydrophobicContact CG1-CG2 4.01Å; D319-V321 PolarHBondContact O-N 3.07Å; D319-V321 WeakPolarHBondContact OD2-CB 3.39Å; D319-V321 WeakPolarHBondContact OD2-CG2 3.43Å; V321-E323 PolarHBondContact O-N 3.07Å; V321-L325 HydrophobicContact CG1-CD1 3.85Å; V321-L325 HydrophobicContact CG1-CG 4.42Å; V321-L325 VanDerWaalsContact O-CB 3.22Å; V321-L325 WeakPolarHBondContact O-CB 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.39Å; V321-L325 PolarHBondContact O-N 2.74Å
322	H	96.8	Very high	92.5	Very high	21 Å²	21	16.3 Å²	16.3	10%	0.097	9%	0.088	C	C	.	.	I	π-helix	trans	-58.3	-47.9	176.7	175.3	81.8	0	0	0	111.9	P318 D319 G326 H327 E367 S386	P318-H322 VanDerWaalsContact CB-CD2 3.45Å; P318-H322 WeakPolarHBondContact CB-CD2 3.44Å; D319-H322 WeakPolarHBondContact O-CA 3.39Å; D319-H322 WeakPolarHBondContact O-CB 3.23Å; D319-H322 PolarHBondContact O-N 3.46Å; D319-H322 PolarHBondContact OD1-N 3.3Å; H322-G326 VanDerWaalsContact O-CA 3.27Å; H322-G326 WeakPolarHBondContact O-CA 3.4Å; H322-G326 PolarHBondContact O-N 3.39Å; H322-H327 AromaticContact CD2-CD2 3.83Å; H322-H327 AromaticContact CD2-NE2 3.89Å; H322-H327 AromaticContact CE1-NE2 3.98Å; H322-H327 AromaticContact NE2-CD2 3.58Å; H322-H327 AromaticContact NE2-NE2 3.18Å; H322-H327 PolarHBondContact NE2-NE2 2.95Å; H322-H327 VanDerWaalsContact NE2-NE2 3.18Å; H322-E367 IonicContact CE1-OE2 2.67Å; H322-E367 PolarHBondContact CE1-OE2 3.47Å; H322-E367 VanDerWaalsContact CE1-OE2 3.3Å; H322-E367 IonicContact NE2-OE2 3.27Å; H322-E367 PolarHBondContact NE2-OE2 3.06Å; H322-S386 PolarHBondContact ND1-OG 3.18Å
323	E	97.8	Very high	92.9	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.037	9%	0.093	C	C	.	.	I	π-helix	trans	-66.6	-49.7	-177.7	-47	-62.1	-168.1	0	0	112.6	F300 C302 D319 V321 H327 V328	F300-E323 VanDerWaalsContact CE1-OE2 3.22Å; F300-E323 WeakPolarHBondContact CE1-OE2 3.38Å; F300-E323 WeakPolarHBondContact CZ-OE2 3.36Å; C302-E323 WeakPolarHBondContact SG-CB 3.12Å; D319-E323 WeakPolarHBondContact O-CG 3.41Å; D319-E323 PolarHBondContact O-N 3.1Å; D319-E323 VanDerWaalsContact O-N 3.15Å; V321-E323 PolarHBondContact O-N 3.07Å; E323-H327 PolarHBondContact O-N 2.95Å; E323-H327 IonicContact OE2-CD2 2.71Å; E323-H327 PolarHBondContact OE2-CD2 2.97Å; E323-H327 VanDerWaalsContact OE2-CD2 3.26Å; E323-H327 IonicContact OE2-NE2 3.27Å; E323-V328 WeakPolarHBondContact O-CG2 3.31Å; E323-V328 PolarHBondContact O-N 3.16Å
324	L	98.5	Very high	93.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-77.6	-37.1	-171.7	-63.6	174.3	0	0	0	112.2	W224 Y256 I261 P262 L264 V267 C320 V328 P329	W224-L324 HydrophobicContact CH2-CB 4.07Å; W224-L324 HydrophobicContact CH2-CD1 4.23Å; W224-L324 HydrophobicContact CZ3-CB 4.12Å; W224-L324 HydrophobicContact CZ3-CD1 4.05Å; Y256-L324 HydrophobicContact CE1-CB 4.42Å; Y256-L324 VanDerWaalsContact CE1-O 3.29Å; Y256-L324 WeakPolarHBondContact CE1-O 3.37Å; Y256-L324 PolarHBondContact OH-O 3.06Å; I261-L324 HydrophobicContact CG2-CD1 4.18Å; P262-L324 HydrophobicContact CB-CD1 4.19Å; P262-L324 HydrophobicContact CG-CD1 4.29Å; L264-L324 HydrophobicContact CD2-CD2 3.83Å; V267-L324 HydrophobicContact CG2-CD2 4.26Å; C320-L324 HydrophobicContact CB-CD1 4.24Å; C320-L324 WeakPolarHBondContact O-CB 3.37Å; C320-L324 WeakPolarHBondContact O-CG 3.38Å; C320-L324 PolarHBondContact O-N 2.95Å; L324-V328 HydrophobicContact CD2-CG2 4.2Å; L324-P329 WeakPolarHBondContact O-CD 3.46Å
325	L	98	Very high	94.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-89.8	-31.3	-179	-57.3	-172.4	0	0	0	112.9	W224 V227 Y228 L231 Y235 H243 F247 Y256 V321	W224-L325 HydrophobicContact CH2-CD2 3.48Å; W224-L325 VanDerWaalsContact CH2-CD2 3.48Å; W224-L325 HydrophobicContact CH2-CG 3.97Å; W224-L325 HydrophobicContact CZ2-CD2 4.05Å; W224-L325 HydrophobicContact CZ3-CD1 4.46Å; W224-L325 HydrophobicContact CZ3-CD2 4.09Å; W224-L325 HydrophobicContact CZ3-CG 4.05Å; V227-L325 HydrophobicContact CG1-CD1 4.47Å; Y228-L325 HydrophobicContact CD2-CD2 3.85Å; Y228-L325 HydrophobicContact CE2-CD2 4.15Å; L231-L325 HydrophobicContact CD1-CD1 3.89Å; Y235-L325 WeakPolarHBondContact OH-CB 3.43Å; H243-L325 PolarHBondContact NE2-O 2.83Å; F247-L325 HydrophobicContact CE2-CD2 3.84Å; F247-L325 HydrophobicContact CZ-CD2 4.17Å; Y256-L325 HydrophobicContact CD1-CD2 4.36Å; Y256-L325 HydrophobicContact CE1-CD2 4.27Å; V321-L325 HydrophobicContact CG1-CD1 3.85Å; V321-L325 HydrophobicContact CG1-CG 4.42Å; V321-L325 VanDerWaalsContact O-CB 3.22Å; V321-L325 WeakPolarHBondContact O-CB 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.39Å; V321-L325 PolarHBondContact O-N 2.74Å
326	G	97.6	Very high	95.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-88.4	-70.7	-179.9	0	0	0	0	0	113	H322	H322-G326 VanDerWaalsContact O-CA 3.27Å; H322-G326 WeakPolarHBondContact O-CA 3.4Å; H322-G326 PolarHBondContact O-N 3.39Å
327	H	98.4	Very high	96.7	Very high	5 Å²	5	16 Å²	16	2%	0.023	7%	0.074	C	C	.	.	I	π-helix	trans	-73.7	-48.1	-169.7	-74.3	-70.9	0	0	0	114.3	F300 H322 E323 I330 L331 Y362 E367 A382	F300-H327 HydrophobicContact CE1-CB 4.02Å; F300-H327 HydrophobicContact CE2-CB 4.14Å; F300-H327 AromaticContact CE2-CG 3.74Å; F300-H327 AromaticContact CE2-ND1 3.74Å; F300-H327 HydrophobicContact CZ-CB 3.71Å; F300-H327 AromaticContact CZ-CD2 3.32Å; F300-H327 WeakPolarHBondContact CZ-CD2 3.47Å; F300-H327 AromaticContact CZ-CG 3.34Å; F300-H327 AromaticContact CZ-ND1 3.8Å; F300-H327 AromaticContact CZ-NE2 3.74Å; H322-H327 AromaticContact CD2-CD2 3.83Å; H322-H327 AromaticContact CD2-NE2 3.89Å; H322-H327 AromaticContact CE1-NE2 3.98Å; H322-H327 AromaticContact NE2-CD2 3.58Å; H322-H327 AromaticContact NE2-NE2 3.18Å; H322-H327 PolarHBondContact NE2-NE2 2.95Å; H322-H327 VanDerWaalsContact NE2-NE2 3.18Å; E323-H327 PolarHBondContact O-N 2.95Å; E323-H327 IonicContact OE2-CD2 2.71Å; E323-H327 PolarHBondContact OE2-CD2 2.97Å; E323-H327 VanDerWaalsContact OE2-CD2 3.26Å; E323-H327 IonicContact OE2-NE2 3.27Å; H327-I330 PolarHBondContact O-N 3.18Å; H327-L331 HydrophobicContact CB-CD1 4.37Å; H327-L331 WeakPolarHBondContact O-CG 3.35Å; H327-L331 PolarHBondContact O-N 2.88Å; H327-Y362 PolarHBondContact CE1-OH 2.94Å; H327-Y362 VanDerWaalsContact CE1-OH 3.3Å; H327-E367 IonicContact CE1-OE1 2.76Å; H327-E367 PolarHBondContact CE1-OE1 2.93Å; H327-E367 IonicContact CE1-OE2 2.87Å; H327-E367 IonicContact NE2-OE1 3.15Å; H327-E367 PolarHBondContact NE2-OE1 3.44Å; H327-E367 VanDerWaalsContact NE2-OE1 3.16Å; H327-E367 IonicContact NE2-OE2 2.99Å; H327-A382 HydrophobicContact CB-CB 4.35Å; H327-A382 VanDerWaalsContact CD2-CB 3.47Å; H327-A382 WeakPolarHBondContact CD2-CB 3.1Å; H327-A382 WeakPolarHBondContact CE1-CB 3.27Å; H327-A382 VanDerWaalsContact CG-CB 3.49Å; H327-A382 WeakPolarHBondContact ND1-CB 3.33Å; H327-A382 WeakPolarHBondContact NE2-CB 3.42Å
328	V	98.7	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.3	-48.1	-170	166	0	0	0	0	113.4	L250 Y256 V267 L271 L279 E323 L324 I330 L331 A332	L250-V328 HydrophobicContact CD1-CG1 3.89Å; L250-V328 HydrophobicContact CD2-CG1 3.99Å; Y256-V328 WeakPolarHBondContact OH-CG1 3.17Å; V267-V328 HydrophobicContact CG1-CB 4.3Å; V267-V328 HydrophobicContact CG1-CG1 3.39Å; V267-V328 HydrophobicContact CG1-CG2 3.9Å; L271-V328 HydrophobicContact CD1-CG1 4.28Å; L271-V328 HydrophobicContact CD1-CG2 4.37Å; L271-V328 HydrophobicContact CD2-CG1 4.35Å; L271-V328 HydrophobicContact CG-CG1 4.42Å; L279-V328 HydrophobicContact CD1-CG2 4.3Å; L279-V328 HydrophobicContact CD2-CG2 4.35Å; E323-V328 WeakPolarHBondContact O-CG2 3.31Å; E323-V328 PolarHBondContact O-N 3.16Å; L324-V328 HydrophobicContact CD2-CG2 4.2Å; V328-I330 VanDerWaalsContact C-N 3.3Å; V328-I330 PolarHBondContact O-N 3.3Å; V328-L331 PolarHBondContact O-N 2.79Å; V328-A332 PolarHBondContact O-N 3.26Å
329	P	98.5	Very high	97.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.5	-42.1	-176.7	-24.1	35	0	0	0	112	H243 A246 F247 L250 L324 A332	H243-P329 VanDerWaalsContact CD2-CB 3.5Å; H243-P329 WeakPolarHBondContact CD2-CB 3.37Å; A246-P329 HydrophobicContact CB-CB 4Å; A246-P329 WeakPolarHBondContact CB-O 3.46Å; F247-P329 HydrophobicContact CD2-CG 4.02Å; L250-P329 HydrophobicContact CD1-CB 4.02Å; L250-P329 HydrophobicContact CD1-CG 3.75Å; L324-P329 WeakPolarHBondContact O-CD 3.46Å; P329-A332 WeakPolarHBondContact O-CB 3.42Å; P329-A332 PolarHBondContact O-N 3.09Å
330	I	98.1	Very high	97.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-72.5	-32.2	-178.6	-70.8	-64.3	0	0	0	112	C240 E242 H243 H327 V328 A332 D333 F336 L385 F429	C240-I330 VanDerWaalsContact SG-CD1 3.55Å; E242-I330 HydrophobicContact CB-CD1 4.42Å; H243-I330 HydrophobicContact CB-CD1 3.7Å; H243-I330 HydrophobicContact CB-CG1 4.22Å; H327-I330 PolarHBondContact O-N 3.18Å; V328-I330 VanDerWaalsContact C-N 3.3Å; V328-I330 PolarHBondContact O-N 3.3Å; I330-A332 PolarHBondContact O-N 3Å; I330-D333 PolarHBondContact O-N 3.29Å; I330-D333 VanDerWaalsContact O-N 3.08Å; I330-F336 HydrophobicContact CB-CD1 4.45Å; I330-F336 HydrophobicContact CB-CE1 4.49Å; I330-F336 HydrophobicContact CG2-CB 3.98Å; I330-F336 HydrophobicContact CG2-CD1 3.24Å; I330-F336 HydrophobicContact CG2-CD2 3.32Å; I330-F336 HydrophobicContact CG2-CE1 3.35Å; I330-F336 HydrophobicContact CG2-CE2 3.45Å; I330-F336 VanDerWaalsContact CG2-CE2 3.45Å; I330-F336 HydrophobicContact CG2-CG 3.19Å; I330-F336 HydrophobicContact CG2-CZ 3.44Å; I330-F336 VanDerWaalsContact CG2-CZ 3.44Å; I330-L385 HydrophobicContact CG1-CD1 4.2Å; I330-F429 HydrophobicContact CD1-CZ 4.35Å
331	L	98.5	Very high	98	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-66.6	-13.9	172.1	-72	173	0	0	0	114	L271 T275 F277 F300 H327 V328 D333 F336	L271-L331 HydrophobicContact CD2-CB 4.05Å; T275-L331 VanDerWaalsContact CG2-O 3.29Å; T275-L331 WeakPolarHBondContact CG2-O 3.47Å; T275-L331 PolarHBondContact OG1-O 3.27Å; F277-L331 HydrophobicContact CD1-CD1 4.34Å; F277-L331 HydrophobicContact CD1-CD2 4Å; F277-L331 HydrophobicContact CE1-CD2 3.84Å; F277-L331 HydrophobicContact CG-CD2 4.41Å; F277-L331 HydrophobicContact CZ-CD2 4.12Å; F300-L331 HydrophobicContact CB-CD1 3.88Å; F300-L331 HydrophobicContact CD1-CD1 4.35Å; F300-L331 HydrophobicContact CD2-CD1 3.79Å; F300-L331 HydrophobicContact CE2-CD1 4.47Å; F300-L331 HydrophobicContact CG-CD1 3.73Å; H327-L331 HydrophobicContact CB-CD1 4.37Å; H327-L331 WeakPolarHBondContact O-CG 3.35Å; H327-L331 PolarHBondContact O-N 2.88Å; V328-L331 PolarHBondContact O-N 2.79Å; L331-D333 VanDerWaalsContact C-N 3.31Å; L331-F336 HydrophobicContact CD2-CD1 4.23Å; L331-F336 HydrophobicContact CD2-CE1 4.21Å
332	A	98.4	Very high	98	Very high	3 Å²	3	20.9 Å²	20.9	3%	0.025	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.2	173	0	0	0	0	0	113.3	A246 F270 L271 R274 T275 V328 P329 I330	A246-A332 HydrophobicContact CB-CB 3.94Å; F270-A332 HydrophobicContact CE1-CB 3.95Å; L271-A332 HydrophobicContact CD2-CB 3.97Å; R274-A332 HydrophobicContact CB-CB 4.44Å; R274-A332 HydrophobicContact CG-CB 4.5Å; T275-A332 VanDerWaalsContact CG2-C 3.48Å; T275-A332 VanDerWaalsContact CG2-O 3.3Å; T275-A332 WeakPolarHBondContact CG2-O 3.36Å; V328-A332 PolarHBondContact O-N 3.26Å; P329-A332 WeakPolarHBondContact O-CB 3.42Å; P329-A332 PolarHBondContact O-N 3.09Å; I330-A332 PolarHBondContact O-N 3Å
333	D	98.2	Very high	98	Very high	39 Å²	39	19.9 Å²	19.9	21%	0.209	9%	0.091	C	C	.	.	S	Bend	trans	-82.8	137.7	168.9	175	56	0	0	0	111.6	E242 I330 L331 V335 F336 A337	E242-D333 HydrophobicContact CB-CB 4.37Å; I330-D333 PolarHBondContact O-N 3.29Å; I330-D333 VanDerWaalsContact O-N 3.08Å; L331-D333 VanDerWaalsContact C-N 3.31Å; D333-V335 WeakPolarHBondContact OD2-CA 3.31Å; D333-V335 WeakPolarHBondContact OD2-CB 3.31Å; D333-V335 PolarHBondContact OD2-N 3.34Å; D333-F336 HydrophobicContact CB-CB 4.16Å; D333-F336 PolarHBondContact OD2-N 3.05Å; D333-A337 WeakPolarHBondContact O-CB 3.21Å; D333-A337 PolarHBondContact O-N 2.9Å
334	R	97.6	Very high	98	Very high	181 Å²	181	19.5 Å²	19.5	68%	0.683	9%	0.089	S	C	*	.	H	α-helix	trans	-71.8	-36.7	-174.8	-69.6	-178.2	175.7	-176.4	1	112.8	T275 Q338	T275-R334 HydrophobicContact CG2-CG 4.18Å; R334-Q338 VanDerWaalsContact O-CG 3.27Å; R334-Q338 WeakPolarHBondContact O-CG 3.45Å; R334-Q338 PolarHBondContact O-N 3.2Å; R334-Q338 VanDerWaalsContact O-N 3.13Å
335	V	97.7	Very high	97.9	Very high	35 Å²	35	20.9 Å²	20.9	21%	0.212	10%	0.097	C	C	.	.	H	α-helix	trans	-74	-42.8	-177.7	-175.3	0	0	0	0	109.4	D333 Q338 F339 F429 K433	D333-V335 WeakPolarHBondContact OD2-CA 3.31Å; D333-V335 WeakPolarHBondContact OD2-CB 3.31Å; D333-V335 PolarHBondContact OD2-N 3.34Å; V335-Q338 WeakPolarHBondContact O-CB 3.36Å; V335-Q338 PolarHBondContact O-N 3.3Å; V335-F339 PolarHBondContact O-N 3.14Å; V335-F429 HydrophobicContact CB-CB 4.13Å; V335-F429 HydrophobicContact CG1-CB 3.69Å; V335-K433 HydrophobicContact CG1-CD 4.37Å
336	F	98.1	Very high	97.9	Very high	5 Å²	5	21 Å²	21	2%	0.022	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-44	174.6	-166.7	-84.9	0	0	0	112.5	I330 L331 D333 Q338 F339 S340 V366 Y380 F429	I330-F336 HydrophobicContact CB-CD1 4.45Å; I330-F336 HydrophobicContact CB-CE1 4.49Å; I330-F336 HydrophobicContact CG2-CB 3.98Å; I330-F336 HydrophobicContact CG2-CD1 3.24Å; I330-F336 HydrophobicContact CG2-CD2 3.32Å; I330-F336 HydrophobicContact CG2-CE1 3.35Å; I330-F336 HydrophobicContact CG2-CE2 3.45Å; I330-F336 VanDerWaalsContact CG2-CE2 3.45Å; I330-F336 HydrophobicContact CG2-CG 3.19Å; I330-F336 HydrophobicContact CG2-CZ 3.44Å; I330-F336 VanDerWaalsContact CG2-CZ 3.44Å; L331-F336 HydrophobicContact CD2-CD1 4.23Å; L331-F336 HydrophobicContact CD2-CE1 4.21Å; D333-F336 HydrophobicContact CB-CB 4.16Å; D333-F336 PolarHBondContact OD2-N 3.05Å; F336-Q338 VanDerWaalsContact C-N 3.26Å; F336-Q338 PolarHBondContact O-N 2.92Å; F336-F339 HydrophobicContact CE2-CD1 4.47Å; F336-F339 WeakPolarHBondContact O-CA 3.33Å; F336-F339 WeakPolarHBondContact O-CB 3.32Å; F336-F339 PolarHBondContact O-N 3.01Å; F336-S340 WeakPolarHBondContact CE1-OG 3.01Å; F336-S340 PolarHBondContact O-N 3.25Å; F336-S340 PolarHBondContact O-OG 3.23Å; F336-V366 HydrophobicContact CE1-CG1 4.25Å; F336-V366 HydrophobicContact CE1-CG2 4.46Å; F336-V366 HydrophobicContact CZ-CB 4.19Å; F336-V366 HydrophobicContact CZ-CG1 3.92Å; F336-V366 HydrophobicContact CZ-CG2 3.88Å; F336-Y380 HydrophobicContact CD2-CD2 4.31Å; F336-Y380 HydrophobicContact CD2-CE2 4.47Å; F336-Y380 AromaticContact CE2-CD2 3.56Å; F336-Y380 HydrophobicContact CE2-CD2 3.56Å; F336-Y380 AromaticContact CE2-CE2 3.59Å; F336-Y380 HydrophobicContact CE2-CE2 3.59Å; F336-Y380 HydrophobicContact CZ-CD2 4.35Å; F336-Y380 HydrophobicContact CZ-CE2 4.42Å; F336-F429 HydrophobicContact CB-CD2 4.41Å; F336-F429 HydrophobicContact CD2-CD1 4.3Å; F336-F429 HydrophobicContact CD2-CE1 4.22Å; F336-F429 HydrophobicContact CD2-CZ 4.36Å
337	A	98.2	Very high	97.8	Very high	2 Å²	2	21 Å²	21	2%	0.017	10%	0.097	C	C	.	.	H	α-helix	trans	-57.2	-40.7	174.4	0	0	0	0	0	112	T275 F277 D333 Q341	T275-A337 HydrophobicContact CG2-CB 3.87Å; F277-A337 HydrophobicContact CD2-CB 3.76Å; F277-A337 HydrophobicContact CE2-CB 3.75Å; F277-A337 WeakPolarHBondContact CE2-O 3.36Å; D333-A337 WeakPolarHBondContact O-CB 3.21Å; D333-A337 PolarHBondContact O-N 2.9Å; A337-Q341 WeakPolarHBondContact O-CB 3.41Å; A337-Q341 PolarHBondContact O-N 3.37Å
338	Q	97.5	Very high	97.7	Very high	80 Å²	80	20.8 Å²	20.8	37%	0.374	10%	0.096	S	C	.	.	H	α-helix	trans	-65.4	-41.5	173.4	-73.6	174.6	-0.3	0	0	112.4	R334 V335 F336 Q341 N342 K433	R334-Q338 VanDerWaalsContact O-CG 3.27Å; R334-Q338 WeakPolarHBondContact O-CG 3.45Å; R334-Q338 PolarHBondContact O-N 3.2Å; R334-Q338 VanDerWaalsContact O-N 3.13Å; V335-Q338 WeakPolarHBondContact O-CB 3.36Å; V335-Q338 PolarHBondContact O-N 3.3Å; F336-Q338 VanDerWaalsContact C-N 3.26Å; F336-Q338 PolarHBondContact O-N 2.92Å; Q338-Q341 PolarHBondContact O-N 3.22Å; Q338-N342 WeakPolarHBondContact O-CB 3.34Å; Q338-N342 PolarHBondContact O-N 3.39Å; Q338-N342 PolarHBondContact O-ND2 3.36Å; Q338-K433 HydrophobicContact CB-CD 3.99Å
339	F	97.8	Very high	97.3	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.022	10%	0.1	C	C	.	.	H	α-helix	trans	-57.3	-52.6	175.3	172.9	-89.7	0	0	0	111.1	V335 F336 Q341 N342 I343 T365 V366 A432 K433 L436	V335-F339 PolarHBondContact O-N 3.14Å; F336-F339 HydrophobicContact CE2-CD1 4.47Å; F336-F339 WeakPolarHBondContact O-CA 3.33Å; F336-F339 WeakPolarHBondContact O-CB 3.32Å; F336-F339 PolarHBondContact O-N 3.01Å; F339-Q341 VanDerWaalsContact C-N 3.34Å; F339-Q341 PolarHBondContact O-N 2.64Å; F339-N342 WeakPolarHBondContact O-CB 3.43Å; F339-N342 PolarHBondContact O-N 2.87Å; F339-N342 VanDerWaalsContact O-N 3.1Å; F339-I343 HydrophobicContact CD1-CD1 4.28Å; F339-I343 HydrophobicContact CE1-CD1 3.58Å; F339-I343 HydrophobicContact CE1-CG1 4.41Å; F339-I343 HydrophobicContact CZ-CD1 3.9Å; F339-I343 PolarHBondContact O-N 3.26Å; F339-I343 VanDerWaalsContact O-N 3.17Å; F339-T365 WeakPolarHBondContact CE1-OG1 3.4Å; F339-T365 HydrophobicContact CZ-CG2 3.85Å; F339-T365 WeakPolarHBondContact CZ-OG1 3.29Å; F339-V366 HydrophobicContact CD1-CG2 4.32Å; F339-V366 HydrophobicContact CE1-CG2 3.85Å; F339-A432 HydrophobicContact CD2-CB 4.31Å; F339-A432 HydrophobicContact CE2-CB 4.11Å; F339-K433 HydrophobicContact CB-CB 4.46Å; F339-K433 HydrophobicContact CD2-CB 4.32Å; F339-L436 HydrophobicContact CD2-CB 4.36Å; F339-L436 HydrophobicContact CD2-CD2 3.76Å; F339-L436 HydrophobicContact CE2-CB 3.89Å; F339-L436 HydrophobicContact CE2-CD2 3.52Å; F339-L436 HydrophobicContact CE2-CG 4.24Å; F339-L436 HydrophobicContact CG-CD2 4.39Å; F339-L436 HydrophobicContact CZ-CD2 3.98Å
340	S	98	Very high	97	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-40.5	178.2	-60.2	0	0	0	0	112.3	F336 N342 I343 G344	F336-S340 WeakPolarHBondContact CE1-OG 3.01Å; F336-S340 PolarHBondContact O-N 3.25Å; F336-S340 PolarHBondContact O-OG 3.23Å; S340-N342 VanDerWaalsContact C-N 3.32Å; S340-N342 PolarHBondContact O-N 3.22Å; S340-I343 PolarHBondContact O-N 3.41Å; S340-G344 PolarHBondContact O-N 3.43Å; S340-G344 VanDerWaalsContact O-N 3.11Å
341	Q	98.1	Very high	96.6	Very high	12 Å²	12	23 Å²	23	6%	0.056	11%	0.113	C	C	.	.	H	α-helix	trans	-64.3	-36.4	174.9	-173.4	176.8	27.2	0	0	112.2	A296 R298 A337 Q338 F339 G344 L345	A296-Q341 PolarHBondContact O-NE2 3.08Å; R298-Q341 HydrophobicContact CG-CB 4.48Å; R298-Q341 HydrophobicContact CG-CG 4.23Å; R298-Q341 VanDerWaalsContact CZ-OE1 3.31Å; A337-Q341 WeakPolarHBondContact O-CB 3.41Å; A337-Q341 PolarHBondContact O-N 3.37Å; Q338-Q341 PolarHBondContact O-N 3.22Å; F339-Q341 VanDerWaalsContact C-N 3.34Å; F339-Q341 PolarHBondContact O-N 2.64Å; Q341-G344 PolarHBondContact O-N 2.88Å; Q341-G344 VanDerWaalsContact O-N 3.15Å; Q341-L345 HydrophobicContact CG-CD1 4.06Å; Q341-L345 HydrophobicContact CG-CG 4.3Å; Q341-L345 WeakPolarHBondContact O-CG 3.14Å; Q341-L345 PolarHBondContact O-N 3.26Å
342	N	97.1	Very high	96.1	Very high	38 Å²	38	27 Å²	27	20%	0.203	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-40.3	177.3	-73.6	-19.7	0	0	0	111.9	Q338 F339 S340 G344 L345 A346 L436	Q338-N342 WeakPolarHBondContact O-CB 3.34Å; Q338-N342 PolarHBondContact O-N 3.39Å; Q338-N342 PolarHBondContact O-ND2 3.36Å; F339-N342 WeakPolarHBondContact O-CB 3.43Å; F339-N342 PolarHBondContact O-N 2.87Å; F339-N342 VanDerWaalsContact O-N 3.1Å; S340-N342 VanDerWaalsContact C-N 3.32Å; S340-N342 PolarHBondContact O-N 3.22Å; N342-G344 VanDerWaalsContact C-N 3.29Å; N342-G344 PolarHBondContact O-N 2.78Å; N342-L345 PolarHBondContact O-N 3.46Å; N342-A346 WeakPolarHBondContact O-CB 3.25Å; N342-A346 PolarHBondContact O-N 3.19Å; N342-L436 HydrophobicContact CB-CD2 4.15Å
343	I	97.5	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-47.2	170.6	-61.6	-179.5	0	0	0	109.5	L292 F339 S340 L345 A346 S347 Y362 V366 L436	L292-I343 HydrophobicContact CD2-CG2 3.79Å; F339-I343 HydrophobicContact CD1-CD1 4.28Å; F339-I343 HydrophobicContact CE1-CD1 3.58Å; F339-I343 HydrophobicContact CE1-CG1 4.41Å; F339-I343 HydrophobicContact CZ-CD1 3.9Å; F339-I343 PolarHBondContact O-N 3.26Å; F339-I343 VanDerWaalsContact O-N 3.17Å; S340-I343 PolarHBondContact O-N 3.41Å; I343-L345 PolarHBondContact O-N 3.11Å; I343-A346 WeakPolarHBondContact O-CB 3.32Å; I343-A346 PolarHBondContact O-N 3.16Å; I343-S347 PolarHBondContact O-N 3.29Å; I343-S347 VanDerWaalsContact O-N 3.13Å; I343-Y362 HydrophobicContact CD1-CD2 4.15Å; I343-V366 HydrophobicContact CD1-CG2 4.25Å; I343-L436 HydrophobicContact CD1-CD2 4.25Å; I343-L436 HydrophobicContact CG1-CD1 4.34Å; I343-L436 HydrophobicContact CG1-CD2 3.43Å; I343-L436 VanDerWaalsContact CG1-CD2 3.43Å
344	G	97.7	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-46.4	179.6	0	0	0	0	0	113.3	L292 S340 Q341 N342 A346 S347	L292-G344 WeakPolarHBondContact O-CA 3.26Å; S340-G344 PolarHBondContact O-N 3.43Å; S340-G344 VanDerWaalsContact O-N 3.11Å; Q341-G344 PolarHBondContact O-N 2.88Å; Q341-G344 VanDerWaalsContact O-N 3.15Å; N342-G344 VanDerWaalsContact C-N 3.29Å; N342-G344 PolarHBondContact O-N 2.78Å; G344-A346 VanDerWaalsContact C-N 3.29Å; G344-A346 PolarHBondContact O-N 3.26Å; G344-S347 WeakPolarHBondContact O-CB 3.47Å; G344-S347 PolarHBondContact O-N 3.16Å; G344-S347 VanDerWaalsContact O-N 3.15Å; G344-S347 PolarHBondContact O-OG 3.43Å
345	L	97.5	Very high	95.5	Very high	29 Å²	29	23.2 Å²	23.2	15%	0.152	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-33.3	176.6	-72	168.7	0	0	0	112.7	A296 Q341 N342 I343 S347 L348 R445 V449 F451 I458	A296-L345 HydrophobicContact CB-CD2 4.11Å; A296-L345 HydrophobicContact CB-CG 4.31Å; Q341-L345 HydrophobicContact CG-CD1 4.06Å; Q341-L345 HydrophobicContact CG-CG 4.3Å; Q341-L345 WeakPolarHBondContact O-CG 3.14Å; Q341-L345 PolarHBondContact O-N 3.26Å; N342-L345 PolarHBondContact O-N 3.46Å; I343-L345 PolarHBondContact O-N 3.11Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-L348 HydrophobicContact CD2-CD1 4.29Å; L345-R445 PolarHBondContact O-NH1 3.13Å; L345-V449 HydrophobicContact CB-CG2 4.35Å; L345-V449 HydrophobicContact CD2-CG2 4.11Å; L345-V449 WeakPolarHBondContact O-CG2 3.27Å; L345-F451 HydrophobicContact CD2-CB 4.19Å; L345-I458 HydrophobicContact CD2-CD1 3.86Å
346	A	96.8	Very high	95.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-36.6	174.5	0	0	0	0	0	111.9	N342 I343 G344 L348 L358 V440 I443 R445	N342-A346 WeakPolarHBondContact O-CB 3.25Å; N342-A346 PolarHBondContact O-N 3.19Å; I343-A346 WeakPolarHBondContact O-CB 3.32Å; I343-A346 PolarHBondContact O-N 3.16Å; G344-A346 VanDerWaalsContact C-N 3.29Å; G344-A346 PolarHBondContact O-N 3.26Å; A346-L348 VanDerWaalsContact C-N 3.31Å; A346-L348 PolarHBondContact O-N 2.85Å; A346-L358 HydrophobicContact CB-CD1 3.85Å; A346-L358 HydrophobicContact CB-CD2 3.76Å; A346-L358 HydrophobicContact CB-CG 4.49Å; A346-V440 HydrophobicContact CB-CB 4.22Å; A346-V440 HydrophobicContact CB-CG1 3.49Å; A346-V440 VanDerWaalsContact CB-CG1 3.49Å; A346-V440 HydrophobicContact CB-CG2 3.61Å; A346-I443 HydrophobicContact CB-CD1 4.18Å; A346-R445 PolarHBondContact O-NH1 3.06Å
347	S	96.3	Very high	95.4	Very high	1 Å²	1	30 Å²	30	1%	0.007	15%	0.15	C	C	.	.	H	α-helix	trans	-69.6	-24.7	-177.4	78.5	0	0	0	0	114.1	A293 I343 G344 L345 G349 A350	A293-S347 PolarHBondContact N-OG 3.34Å; I343-S347 PolarHBondContact O-N 3.29Å; I343-S347 VanDerWaalsContact O-N 3.13Å; G344-S347 WeakPolarHBondContact O-CB 3.47Å; G344-S347 PolarHBondContact O-N 3.16Å; G344-S347 VanDerWaalsContact O-N 3.15Å; G344-S347 PolarHBondContact O-OG 3.43Å; L345-S347 VanDerWaalsContact C-N 3.31Å; S347-G349 PolarHBondContact O-N 3.18Å; S347-G349 VanDerWaalsContact O-N 3.07Å; S347-A350 WeakPolarHBondContact O-CB 3.45Å; S347-A350 PolarHBondContact O-N 2.93Å; S347-A350 VanDerWaalsContact O-N 3.13Å
348	L	95	Very high	95.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	111	-175.9	-55.2	-172.8	0	0	0	111.4	F158 A293 A296 L345 A346 A350 R445 V449 I458	F158-L348 HydrophobicContact CB-CB 4.34Å; F158-L348 HydrophobicContact CB-CD2 4.03Å; F158-L348 HydrophobicContact CD1-CB 4.32Å; F158-L348 HydrophobicContact CD2-CB 3.96Å; F158-L348 HydrophobicContact CD2-CD1 4.19Å; F158-L348 HydrophobicContact CD2-CD2 4.23Å; F158-L348 HydrophobicContact CD2-CG 4.36Å; F158-L348 HydrophobicContact CE2-CB 4.32Å; F158-L348 HydrophobicContact CE2-CD1 4.43Å; F158-L348 HydrophobicContact CG-CB 3.97Å; F158-L348 HydrophobicContact CG-CD2 4.36Å; A293-L348 HydrophobicContact CB-CD2 3.79Å; A296-L348 HydrophobicContact CB-CD1 3.81Å; A296-L348 HydrophobicContact CB-CD2 4.03Å; A296-L348 HydrophobicContact CB-CG 4.06Å; L345-L348 HydrophobicContact CD2-CD1 4.29Å; A346-L348 VanDerWaalsContact C-N 3.31Å; A346-L348 PolarHBondContact O-N 2.85Å; L348-A350 PolarHBondContact O-N 3.22Å; L348-R445 VanDerWaalsContact O-CD 3.31Å; L348-R445 WeakPolarHBondContact O-CD 3.49Å; L348-R445 PolarHBondContact O-NH1 3.09Å; L348-V449 HydrophobicContact CB-CG1 4.48Å; L348-V449 HydrophobicContact CB-CG2 4.47Å; L348-V449 HydrophobicContact CD1-CG2 4.29Å; L348-I458 HydrophobicContact CD1-CB 4.32Å; L348-I458 HydrophobicContact CD1-CD1 3.65Å; L348-I458 HydrophobicContact CD1-CG1 3.69Å; L348-I458 HydrophobicContact CD1-CG2 3.78Å
349	G	90.6	Very high	95.3	Very high	7 Å²	7	27.3 Å²	27.3	7%	0.072	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	10.1	-178.6	0	0	0	0	0	115	S347	S347-G349 PolarHBondContact O-N 3.18Å; S347-G349 VanDerWaalsContact O-N 3.07Å
350	A	92.5	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.			trans	-68.9	156	175.8	0	0	0	0	0	111.9	H156 R289 S347 L348 D354 I355	H156-A350 PolarHBondContact CD2-O 3.34Å; H156-A350 VanDerWaalsContact CD2-O 3.29Å; R289-A350 PolarHBondContact NH1-O 2.92Å; R289-A350 PolarHBondContact NH2-O 3.44Å; S347-A350 WeakPolarHBondContact O-CB 3.45Å; S347-A350 PolarHBondContact O-N 2.93Å; S347-A350 VanDerWaalsContact O-N 3.13Å; L348-A350 PolarHBondContact O-N 3.22Å; A350-D354 HydrophobicContact CB-CB 3.91Å; A350-I355 HydrophobicContact CB-CD1 4.13Å; A350-I355 HydrophobicContact CB-CG1 4.38Å
351	S	90	Very high	95.3	Very high	41 Å²	41	27.9 Å²	27.9	29%	0.287	14%	0.143	S	C	.	.			trans	-66.9	164.8	173.1	72.5	0	0	0	0	111.5	E353 D354 I355	S351-E353 VanDerWaalsContact C-N 3.31Å; S351-E353 PolarHBondContact O-N 3.37Å; S351-D354 PolarHBondContact O-N 2.96Å; S351-D354 PolarHBondContact OG-N 3.47Å; S351-D354 VanDerWaalsContact OG-N 3.13Å; S351-D354 PolarHBondContact OG-OD2 3.43Å; S351-I355 WeakPolarHBondContact O-CG1 3.35Å; S351-I355 PolarHBondContact O-N 3.43Å
352	E	87.7	Confident	95.2	Very high	85 Å²	85	28 Å²	28	40%	0.397	14%	0.144	S	C	.	.	H	α-helix	trans	-61.5	-38.9	174.7	-63.3	-55.6	137.7	0	0	111.9	H156 R289 D354 I355 E356	H156-E352 IonicContact CE1-OE1 2.69Å; H156-E352 PolarHBondContact CE1-OE1 3.48Å; H156-E352 IonicContact ND1-OE1 2.75Å; H156-E352 PolarHBondContact ND1-OE1 2.74Å; R289-E352 IonicContact CZ-OE1 2.77Å; R289-E352 VanDerWaalsContact CZ-OE1 3.32Å; R289-E352 IonicContact NE-OE1 3.26Å; R289-E352 PolarHBondContact NE-OE1 2.61Å; R289-E352 VanDerWaalsContact NE-OE1 3.13Å; R289-E352 VanDerWaalsContact NH2-CD 3.28Å; R289-E352 IonicContact NH2-OE1 3.45Å; R289-E352 PolarHBondContact NH2-OE1 2.95Å; R289-E352 IonicContact NH2-OE2 3.15Å; E352-D354 VanDerWaalsContact C-N 3.34Å; E352-D354 PolarHBondContact O-N 3.42Å; E352-I355 WeakPolarHBondContact O-CB 3.38Å; E352-I355 PolarHBondContact O-N 2.84Å; E352-I355 VanDerWaalsContact O-N 3.14Å; E352-E356 WeakPolarHBondContact O-CG 3.42Å; E352-E356 PolarHBondContact O-N 2.96Å
353	E	92.3	Very high	95.2	Very high	113 Å²	113	28.2 Å²	28.2	53%	0.528	14%	0.141	S	C	.	.	H	α-helix	trans	-60.6	-42.7	175.5	-172.4	-167.9	152.3	0	0	111.8	S351 I355 E356 K357	S351-E353 VanDerWaalsContact C-N 3.31Å; S351-E353 PolarHBondContact O-N 3.37Å; E353-I355 VanDerWaalsContact C-N 3.34Å; E353-E356 PolarHBondContact O-N 3.27Å; E353-K357 WeakPolarHBondContact O-CG 3.28Å; E353-K357 PolarHBondContact O-N 3.47Å; E353-K357 VanDerWaalsContact O-N 3.08Å; E353-K357 IonicContact OE1-NZ 3.54Å; E353-K357 PolarHBondContact OE1-NZ 3.09Å
354	D	95	Very high	95.2	Very high	26 Å²	26	28.3 Å²	28.3	14%	0.139	14%	0.142	C	C	.	.	H	α-helix	trans	-68.2	-34.5	176.3	-66	-50.6	0	0	0	111.8	A350 S351 E352 K357 L358 I443	A350-D354 HydrophobicContact CB-CB 3.91Å; S351-D354 PolarHBondContact O-N 2.96Å; S351-D354 PolarHBondContact OG-N 3.47Å; S351-D354 VanDerWaalsContact OG-N 3.13Å; S351-D354 PolarHBondContact OG-OD2 3.43Å; E352-D354 VanDerWaalsContact C-N 3.34Å; E352-D354 PolarHBondContact O-N 3.42Å; D354-K357 PolarHBondContact O-N 3.47Å; D354-L358 WeakPolarHBondContact O-CB 3.18Å; D354-L358 WeakPolarHBondContact O-CG 3.35Å; D354-L358 PolarHBondContact O-N 3.13Å; D354-I443 HydrophobicContact CB-CG2 4.26Å
355	I	94.6	Very high	95.3	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-44.9	173.6	-70.1	-61.3	0	0	0	110.7	A288 R289 A350 S351 E352 E353 K357 L358 S359	A288-I355 HydrophobicContact CB-CG2 3.8Å; R289-I355 HydrophobicContact CB-CD1 4.48Å; R289-I355 HydrophobicContact CB-CG2 4.44Å; R289-I355 HydrophobicContact CG-CD1 4.45Å; R289-I355 VanDerWaalsContact CZ-CG1 3.48Å; A350-I355 HydrophobicContact CB-CD1 4.13Å; A350-I355 HydrophobicContact CB-CG1 4.38Å; S351-I355 WeakPolarHBondContact O-CG1 3.35Å; S351-I355 PolarHBondContact O-N 3.43Å; E352-I355 WeakPolarHBondContact O-CB 3.38Å; E352-I355 PolarHBondContact O-N 2.84Å; E352-I355 VanDerWaalsContact O-N 3.14Å; E353-I355 VanDerWaalsContact C-N 3.34Å; I355-K357 VanDerWaalsContact C-N 3.34Å; I355-K357 PolarHBondContact O-N 3.48Å; I355-L358 PolarHBondContact O-N 2.89Å; I355-S359 WeakPolarHBondContact O-CB 3.23Å; I355-S359 PolarHBondContact O-N 3.21Å; I355-S359 PolarHBondContact O-OG 3.45Å
356	E	95.4	Very high	95.3	Very high	131 Å²	131	27 Å²	27	61%	0.612	14%	0.135	S	C	*	.	H	α-helix	trans	-59.3	-44.5	176.4	-71.4	175.2	-174.6	0	0	111.8	E352 E353 S359 T360	E352-E356 WeakPolarHBondContact O-CG 3.42Å; E352-E356 PolarHBondContact O-N 2.96Å; E353-E356 PolarHBondContact O-N 3.27Å; E356-S359 PolarHBondContact O-N 3.14Å; E356-T360 PolarHBondContact O-N 3.38Å; E356-T360 PolarHBondContact O-OG1 3.15Å
357	K	97.5	Very high	95.3	Very high	52 Å²	52	28.1 Å²	28.1	23%	0.226	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-44.5	175	-76.7	169.7	172.9	170.1	0	112.4	E353 D354 I355 S359 T360 L361 A410	E353-K357 WeakPolarHBondContact O-CG 3.28Å; E353-K357 PolarHBondContact O-N 3.47Å; E353-K357 VanDerWaalsContact O-N 3.08Å; E353-K357 IonicContact OE1-NZ 3.54Å; E353-K357 PolarHBondContact OE1-NZ 3.09Å; D354-K357 PolarHBondContact O-N 3.47Å; I355-K357 VanDerWaalsContact C-N 3.34Å; I355-K357 PolarHBondContact O-N 3.48Å; K357-S359 VanDerWaalsContact C-N 3.35Å; K357-T360 PolarHBondContact O-N 3.02Å; K357-L361 WeakPolarHBondContact O-CG 3.41Å; K357-L361 PolarHBondContact O-N 3.39Å; K357-A410 HydrophobicContact CB-CB 4.07Å; K357-A410 HydrophobicContact CG-CB 4.26Å
358	L	97.6	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-37.3	176.6	-73.5	169.4	0	0	0	112.1	L292 A346 D354 I355 L361 Y362 V440 I443	L292-L358 HydrophobicContact CD1-CB 4.04Å; A346-L358 HydrophobicContact CB-CD1 3.85Å; A346-L358 HydrophobicContact CB-CD2 3.76Å; A346-L358 HydrophobicContact CB-CG 4.49Å; D354-L358 WeakPolarHBondContact O-CB 3.18Å; D354-L358 WeakPolarHBondContact O-CG 3.35Å; D354-L358 PolarHBondContact O-N 3.13Å; I355-L358 PolarHBondContact O-N 2.89Å; L358-L361 HydrophobicContact CD2-CD1 4.4Å; L358-L361 PolarHBondContact O-N 2.67Å; L358-Y362 WeakPolarHBondContact O-CB 3.43Å; L358-Y362 PolarHBondContact O-N 3.36Å; L358-V440 HydrophobicContact CD2-CG2 4.42Å; L358-I443 HydrophobicContact CD1-CD1 4.21Å; L358-I443 HydrophobicContact CD2-CD1 4.13Å; L358-I443 HydrophobicContact CG-CD1 4.32Å
359	S	96	Very high	95.5	Very high	26 Å²	26	28.7 Å²	28.7	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-41.3	172.6	-74.9	0	0	0	0	112	A288 I355 E356 K357 Y362 W363	A288-S359 VanDerWaalsContact CB-OG 3.26Å; A288-S359 WeakPolarHBondContact CB-OG 3.33Å; I355-S359 WeakPolarHBondContact O-CB 3.23Å; I355-S359 PolarHBondContact O-N 3.21Å; I355-S359 PolarHBondContact O-OG 3.45Å; E356-S359 PolarHBondContact O-N 3.14Å; K357-S359 VanDerWaalsContact C-N 3.35Å; S359-Y362 WeakPolarHBondContact O-CB 3.32Å; S359-Y362 PolarHBondContact O-N 2.93Å; S359-W363 PolarHBondContact O-N 3.29Å
360	T	97.3	Very high	95.9	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.117	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-40.7	176.2	-53.6	0	0	0	0	111.2	E356 K357 W363 F364 A409 A410 Q412 Y414	E356-T360 PolarHBondContact O-N 3.38Å; E356-T360 PolarHBondContact O-OG1 3.15Å; K357-T360 PolarHBondContact O-N 3.02Å; T360-W363 WeakPolarHBondContact O-CB 3.22Å; T360-W363 PolarHBondContact O-N 3.13Å; T360-F364 HydrophobicContact CG2-CD2 3.87Å; T360-F364 HydrophobicContact CG2-CE2 3.82Å; T360-F364 WeakPolarHBondContact O-CD2 3.22Å; T360-F364 PolarHBondContact O-N 3.01Å; T360-A409 WeakPolarHBondContact CG2-O 3.31Å; T360-A410 WeakPolarHBondContact CB-O 3.47Å; T360-Q412 WeakPolarHBondContact CG2-O 3.43Å; T360-Y414 HydrophobicContact CG2-CD1 4.06Å; T360-Y414 HydrophobicContact CG2-CE1 3.86Å
361	L	98.1	Very high	96.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-44.3	171.8	-74.9	171.2	0	0	0	112	K357 L358 W363 F364 T365 F404 P406 A409 A410 L436 Y439	K357-L361 WeakPolarHBondContact O-CG 3.41Å; K357-L361 PolarHBondContact O-N 3.39Å; L358-L361 HydrophobicContact CD2-CD1 4.4Å; L358-L361 PolarHBondContact O-N 2.67Å; L361-W363 VanDerWaalsContact C-N 3.32Å; L361-W363 PolarHBondContact O-N 3.26Å; L361-F364 PolarHBondContact O-N 3.27Å; L361-T365 WeakPolarHBondContact O-CB 3.5Å; L361-T365 WeakPolarHBondContact O-CG2 3.41Å; L361-T365 PolarHBondContact O-N 3.11Å; L361-T365 VanDerWaalsContact O-N 3.09Å; L361-T365 PolarHBondContact O-OG1 3.04Å; L361-F404 HydrophobicContact CD2-CE2 4.14Å; L361-F404 HydrophobicContact CD2-CZ 4.3Å; L361-P406 HydrophobicContact CD2-CB 3.91Å; L361-P406 WeakPolarHBondContact CD2-O 3.22Å; L361-A409 HydrophobicContact CD2-CB 3.89Å; L361-A410 HydrophobicContact CD1-CB 4.15Å; L361-A410 HydrophobicContact CD2-CB 4.1Å; L361-A410 HydrophobicContact CG-CB 3.85Å; L361-L436 HydrophobicContact CD1-CD1 4.02Å; L361-Y439 HydrophobicContact CD1-CD1 3.69Å; L361-Y439 HydrophobicContact CD1-CE1 3.43Å; L361-Y439 VanDerWaalsContact CD1-CE1 3.43Å; L361-Y439 HydrophobicContact CD1-CG 4.49Å
362	Y	97.6	Very high	96.5	Very high	15 Å²	15	30.5 Å²	30.5	6%	0.059	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-42.4	176.1	-176.5	-85.9	0	0	0	111.2	F291 L292 L295 H327 I343 L358 S359 T365 V366 E367	F291-Y362 AromaticContact CE1-CE1 3.96Å; F291-Y362 HydrophobicContact CE1-CE1 3.96Å; F291-Y362 AromaticContact CE1-CE2 3.93Å; F291-Y362 HydrophobicContact CE1-CE2 3.93Å; F291-Y362 AromaticContact CE1-CZ 3.53Å; F291-Y362 WeakPolarHBondContact CE1-OH 3.45Å; F291-Y362 WeakPolarHBondContact CZ-OH 3.27Å; L292-Y362 HydrophobicContact CD2-CD2 4.05Å; L292-Y362 HydrophobicContact CD2-CG 4.22Å; L295-Y362 HydrophobicContact CD1-CD2 4Å; L295-Y362 HydrophobicContact CD1-CE2 3.62Å; H327-Y362 PolarHBondContact CE1-OH 2.94Å; H327-Y362 VanDerWaalsContact CE1-OH 3.3Å; I343-Y362 HydrophobicContact CD1-CD2 4.15Å; L358-Y362 WeakPolarHBondContact O-CB 3.43Å; L358-Y362 PolarHBondContact O-N 3.36Å; S359-Y362 WeakPolarHBondContact O-CB 3.32Å; S359-Y362 PolarHBondContact O-N 2.93Å; Y362-T365 CarbonylContact O-C 3.54Å; Y362-T365 PolarHBondContact O-N 3Å; Y362-V366 HydrophobicContact CD1-CB 4.29Å; Y362-V366 HydrophobicContact CD2-CB 3.8Å; Y362-V366 HydrophobicContact CD2-CG1 4.33Å; Y362-V366 HydrophobicContact CD2-CG2 3.61Å; Y362-V366 HydrophobicContact CE1-CB 4.08Å; Y362-V366 HydrophobicContact CE1-CG1 4.18Å; Y362-V366 HydrophobicContact CE2-CB 3.54Å; Y362-V366 HydrophobicContact CE2-CG1 3.55Å; Y362-V366 HydrophobicContact CE2-CG2 3.6Å; Y362-V366 HydrophobicContact CG-CB 4.15Å; Y362-V366 HydrophobicContact CG-CG2 4.28Å; Y362-V366 VanDerWaalsContact CZ-CG1 3.43Å; Y362-V366 PolarHBondContact O-N 3.03Å; Y362-V366 WeakPolarHBondContact OH-CG1 3.41Å; Y362-E367 HydrophobicContact CD1-CG 4.01Å; Y362-E367 HydrophobicContact CE1-CG 3.78Å; Y362-E367 WeakPolarHBondContact CE1-OE1 3.42Å; Y362-E367 PolarHBondContact O-N 2.86Å
363	W	96.9	Very high	97	Very high	42 Å²	42	28.7 Å²	28.7	16%	0.159	14%	0.135	C	C	.	.	I	π-helix	trans	-57.7	-53.6	174.9	-174.5	-92.8	0	0	0	112.4	S359 T360 L361 T365 E367 F368 Y414 D416	S359-W363 PolarHBondContact O-N 3.29Å; T360-W363 WeakPolarHBondContact O-CB 3.22Å; T360-W363 PolarHBondContact O-N 3.13Å; L361-W363 VanDerWaalsContact C-N 3.32Å; L361-W363 PolarHBondContact O-N 3.26Å; W363-T365 PolarHBondContact O-N 2.91Å; W363-E367 HydrophobicContact CE3-CG 4.34Å; W363-E367 WeakPolarHBondContact O-CB 3.34Å; W363-F368 AromaticContact CD1-CD2 4Å; W363-F368 AromaticContact CD2-CD2 3.82Å; W363-F368 HydrophobicContact CD2-CD2 3.82Å; W363-F368 AromaticContact CD2-CE2 3.86Å; W363-F368 HydrophobicContact CD2-CE2 3.86Å; W363-F368 AromaticContact CE2-CD2 3.46Å; W363-F368 VanDerWaalsContact CE2-CD2 3.46Å; W363-F368 AromaticContact CE2-CE2 3.39Å; W363-F368 HydrophobicContact CE3-CD2 4.43Å; W363-F368 HydrophobicContact CE3-CE2 4.1Å; W363-F368 HydrophobicContact CG-CD2 4.17Å; W363-F368 HydrophobicContact CH2-CD2 4.45Å; W363-F368 AromaticContact CH2-CE2 3.56Å; W363-F368 HydrophobicContact CH2-CE2 3.56Å; W363-F368 HydrophobicContact CH2-CZ 4.27Å; W363-F368 AromaticContact CZ2-CD2 3.84Å; W363-F368 HydrophobicContact CZ2-CD2 3.84Å; W363-F368 AromaticContact CZ2-CE2 3.26Å; W363-F368 HydrophobicContact CZ2-CE2 3.26Å; W363-F368 HydrophobicContact CZ2-CZ 4.05Å; W363-F368 AromaticContact CZ3-CE2 3.97Å; W363-F368 HydrophobicContact CZ3-CE2 3.97Å; W363-F368 AromaticContact NE1-CD2 3.55Å; W363-F368 AromaticContact NE1-CE2 3.95Å; W363-F368 PolarHBondContact O-N 2.95Å; W363-Y414 HydrophobicContact CB-CE1 4.29Å; W363-Y414 HydrophobicContact CB-CE2 4.42Å; W363-Y414 AromaticContact CD1-CD1 3.99Å; W363-Y414 AromaticContact CD1-CD2 3.72Å; W363-Y414 AromaticContact CD1-CG 3.63Å; W363-Y414 AromaticContact CD2-CD2 3.55Å; W363-Y414 HydrophobicContact CD2-CD2 3.55Å; W363-Y414 AromaticContact CD2-CE2 3.4Å; W363-Y414 HydrophobicContact CD2-CE2 3.4Å; W363-Y414 VanDerWaalsContact CD2-CE2 3.4Å; W363-Y414 HydrophobicContact CD2-CG 4.25Å; W363-Y414 AromaticContact CE2-CD2 3.23Å; W363-Y414 AromaticContact CE2-CE2 3.61Å; W363-Y414 AromaticContact CE2-CG 3.93Å; W363-Y414 HydrophobicContact CE3-CD2 4.2Å; W363-Y414 AromaticContact CE3-CE2 3.67Å; W363-Y414 HydrophobicContact CE3-CE2 3.67Å; W363-Y414 HydrophobicContact CG-CD1 4.26Å; W363-Y414 AromaticContact CG-CD2 3.84Å; W363-Y414 HydrophobicContact CG-CD2 3.84Å; W363-Y414 HydrophobicContact CG-CE1 4.22Å; W363-Y414 AromaticContact CG-CE2 3.77Å; W363-Y414 HydrophobicContact CG-CE2 3.77Å; W363-Y414 HydrophobicContact CG-CG 4.08Å; W363-Y414 AromaticContact CG-CZ 3.96Å; W363-Y414 HydrophobicContact CH2-CD2 4.27Å; W363-Y414 HydrophobicContact CH2-CE2 4.25Å; W363-Y414 AromaticContact CZ2-CD2 3.63Å; W363-Y414 HydrophobicContact CZ2-CD2 3.63Å; W363-Y414 HydrophobicContact CZ2-CE2 4.03Å; W363-Y414 HydrophobicContact CZ3-CE2 4.09Å; W363-Y414 AromaticContact NE1-CD2 3.36Å; W363-Y414 AromaticContact NE1-CG 3.53Å; W363-D416 HydrophobicContact CH2-CB 3.81Å; W363-D416 HydrophobicContact CZ2-CB 4.48Å
364	F	97.9	Very high	97	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	15%	0.154	C	C	.	.	I	π-helix	trans	-77.6	0.1	-177.6	-73.9	-63	0	0	0	115	T360 L361 A409 Q412 Y414 V422 F424	T360-F364 HydrophobicContact CG2-CD2 3.87Å; T360-F364 HydrophobicContact CG2-CE2 3.82Å; T360-F364 WeakPolarHBondContact O-CD2 3.22Å; T360-F364 PolarHBondContact O-N 3.01Å; L361-F364 PolarHBondContact O-N 3.27Å; F364-A409 HydrophobicContact CB-CB 4.48Å; F364-Q412 HydrophobicContact CD2-CB 4.28Å; F364-Q412 HydrophobicContact CD2-CG 4.44Å; F364-Q412 HydrophobicContact CE1-CG 4.19Å; F364-Q412 HydrophobicContact CE2-CB 3.59Å; F364-Q412 HydrophobicContact CE2-CG 3.5Å; F364-Q412 WeakPolarHBondContact CE2-O 3.25Å; F364-Q412 HydrophobicContact CZ-CB 3.99Å; F364-Q412 HydrophobicContact CZ-CG 3.33Å; F364-Y414 AromaticContact CE2-CD1 3.93Å; F364-Y414 HydrophobicContact CE2-CD1 3.93Å; F364-Y414 HydrophobicContact CE2-CG 4.45Å; F364-Y414 HydrophobicContact CZ-CD1 4.3Å; F364-Y414 HydrophobicContact CZ-CG 4.38Å; F364-V422 WeakPolarHBondContact CE1-O 3.17Å; F364-F424 HydrophobicContact CB-CD2 3.65Å; F364-F424 HydrophobicContact CB-CE2 4.24Å; F364-F424 HydrophobicContact CB-CG 4.44Å; F364-F424 AromaticContact CD1-CD2 3.55Å; F364-F424 HydrophobicContact CD1-CD2 3.55Å; F364-F424 AromaticContact CD1-CE2 3.87Å; F364-F424 HydrophobicContact CD1-CE2 3.87Å; F364-F424 HydrophobicContact CD2-CD2 4.27Å; F364-F424 HydrophobicContact CD2-CE2 4.05Å; F364-F424 HydrophobicContact CE1-CD2 4.26Å; F364-F424 HydrophobicContact CE1-CE2 4.2Å; F364-F424 HydrophobicContact CE2-CE2 4.38Å; F364-F424 AromaticContact CG-CD2 3.55Å; F364-F424 HydrophobicContact CG-CD2 3.55Å; F364-F424 AromaticContact CG-CE2 3.78Å; F364-F424 HydrophobicContact CG-CE2 3.78Å; F364-F424 HydrophobicContact CZ-CE2 4.44Å
365	T	98.2	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-121.6	-75.4	176.5	58.8	0	0	0	0	111.3	F339 L361 Y362 W363 E367 G369 Y380 F404	F339-T365 WeakPolarHBondContact CE1-OG1 3.4Å; F339-T365 HydrophobicContact CZ-CG2 3.85Å; F339-T365 WeakPolarHBondContact CZ-OG1 3.29Å; L361-T365 WeakPolarHBondContact O-CB 3.5Å; L361-T365 WeakPolarHBondContact O-CG2 3.41Å; L361-T365 PolarHBondContact O-N 3.11Å; L361-T365 VanDerWaalsContact O-N 3.09Å; L361-T365 PolarHBondContact O-OG1 3.04Å; Y362-T365 CarbonylContact O-C 3.54Å; Y362-T365 PolarHBondContact O-N 3Å; W363-T365 PolarHBondContact O-N 2.91Å; T365-E367 VanDerWaalsContact C-N 3.33Å; T365-E367 PolarHBondContact O-N 3.02Å; T365-G369 WeakPolarHBondContact O-CA 3.4Å; T365-G369 PolarHBondContact O-N 2.97Å; T365-Y380 WeakPolarHBondContact CA-OH 3.28Å; T365-Y380 WeakPolarHBondContact O-CE2 3.39Å; T365-F404 HydrophobicContact CG2-CD2 3.88Å; T365-F404 HydrophobicContact CG2-CE1 4.3Å; T365-F404 HydrophobicContact CG2-CE2 3.31Å; T365-F404 HydrophobicContact CG2-CZ 3.55Å
366	V	97.9	Very high	97	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	21%	0.209	C	C	.	.	I	π-helix	trans	-65.7	-34.7	-174.2	-175.4	0	0	0	0	112.3	F336 F339 I343 Y362 G381 A382	F336-V366 HydrophobicContact CE1-CG1 4.25Å; F336-V366 HydrophobicContact CE1-CG2 4.46Å; F336-V366 HydrophobicContact CZ-CB 4.19Å; F336-V366 HydrophobicContact CZ-CG1 3.92Å; F336-V366 HydrophobicContact CZ-CG2 3.88Å; F339-V366 HydrophobicContact CD1-CG2 4.32Å; F339-V366 HydrophobicContact CE1-CG2 3.85Å; I343-V366 HydrophobicContact CD1-CG2 4.25Å; Y362-V366 HydrophobicContact CD1-CB 4.29Å; Y362-V366 HydrophobicContact CD2-CB 3.8Å; Y362-V366 HydrophobicContact CD2-CG1 4.33Å; Y362-V366 HydrophobicContact CD2-CG2 3.61Å; Y362-V366 HydrophobicContact CE1-CB 4.08Å; Y362-V366 HydrophobicContact CE1-CG1 4.18Å; Y362-V366 HydrophobicContact CE2-CB 3.54Å; Y362-V366 HydrophobicContact CE2-CG1 3.55Å; Y362-V366 HydrophobicContact CE2-CG2 3.6Å; Y362-V366 HydrophobicContact CG-CB 4.15Å; Y362-V366 HydrophobicContact CG-CG2 4.28Å; Y362-V366 VanDerWaalsContact CZ-CG1 3.43Å; Y362-V366 PolarHBondContact O-N 3.03Å; Y362-V366 WeakPolarHBondContact OH-CG1 3.41Å; V366-G381 WeakPolarHBondContact O-CA 3.38Å; V366-A382 PolarHBondContact O-N 3.49Å
367	E	97	Very high	97.1	Very high	24 Å²	24	30.2 Å²	30.2	11%	0.112	19%	0.189	C	C	.	.	I	π-helix	trans	-87.3	-49.1	179.5	-63.6	-61.2	154.3	0	0	113.5	H322 H327 Y362 W363 T365 G381 A382 G383	H322-E367 IonicContact CE1-OE2 2.67Å; H322-E367 PolarHBondContact CE1-OE2 3.47Å; H322-E367 VanDerWaalsContact CE1-OE2 3.3Å; H322-E367 IonicContact NE2-OE2 3.27Å; H322-E367 PolarHBondContact NE2-OE2 3.06Å; H327-E367 IonicContact CE1-OE1 2.76Å; H327-E367 PolarHBondContact CE1-OE1 2.93Å; H327-E367 IonicContact CE1-OE2 2.87Å; H327-E367 IonicContact NE2-OE1 3.15Å; H327-E367 PolarHBondContact NE2-OE1 3.44Å; H327-E367 VanDerWaalsContact NE2-OE1 3.16Å; H327-E367 IonicContact NE2-OE2 2.99Å; Y362-E367 HydrophobicContact CD1-CG 4.01Å; Y362-E367 HydrophobicContact CE1-CG 3.78Å; Y362-E367 WeakPolarHBondContact CE1-OE1 3.42Å; Y362-E367 PolarHBondContact O-N 2.86Å; W363-E367 HydrophobicContact CE3-CG 4.34Å; W363-E367 WeakPolarHBondContact O-CB 3.34Å; T365-E367 VanDerWaalsContact C-N 3.33Å; T365-E367 PolarHBondContact O-N 3.02Å; E367-G381 CarbonylContact O-C 3.54Å; E367-G381 WeakPolarHBondContact O-CA 3.41Å; E367-A382 PolarHBondContact O-N 3.2Å; E367-A382 VanDerWaalsContact O-N 3.07Å; E367-G383 WeakPolarHBondContact O-CA 3.48Å; E367-G383 PolarHBondContact O-N 2.84Å
368	F	97.7	Very high	97.1	Very high	14 Å²	14	29.2 Å²	29.2	6%	0.061	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	24.2	-171	-64.9	-77.5	0	0	0	113.8	W363 L384 E390 Q420 Y423	W363-F368 AromaticContact CD1-CD2 4Å; W363-F368 AromaticContact CD2-CD2 3.82Å; W363-F368 HydrophobicContact CD2-CD2 3.82Å; W363-F368 AromaticContact CD2-CE2 3.86Å; W363-F368 HydrophobicContact CD2-CE2 3.86Å; W363-F368 AromaticContact CE2-CD2 3.46Å; W363-F368 VanDerWaalsContact CE2-CD2 3.46Å; W363-F368 AromaticContact CE2-CE2 3.39Å; W363-F368 HydrophobicContact CE3-CD2 4.43Å; W363-F368 HydrophobicContact CE3-CE2 4.1Å; W363-F368 HydrophobicContact CG-CD2 4.17Å; W363-F368 HydrophobicContact CH2-CD2 4.45Å; W363-F368 AromaticContact CH2-CE2 3.56Å; W363-F368 HydrophobicContact CH2-CE2 3.56Å; W363-F368 HydrophobicContact CH2-CZ 4.27Å; W363-F368 AromaticContact CZ2-CD2 3.84Å; W363-F368 HydrophobicContact CZ2-CD2 3.84Å; W363-F368 AromaticContact CZ2-CE2 3.26Å; W363-F368 HydrophobicContact CZ2-CE2 3.26Å; W363-F368 HydrophobicContact CZ2-CZ 4.05Å; W363-F368 AromaticContact CZ3-CE2 3.97Å; W363-F368 HydrophobicContact CZ3-CE2 3.97Å; W363-F368 AromaticContact NE1-CD2 3.55Å; W363-F368 AromaticContact NE1-CE2 3.95Å; W363-F368 PolarHBondContact O-N 2.95Å; F368-L384 HydrophobicContact CD1-CD2 3.77Å; F368-L384 HydrophobicContact CD1-CG 4.12Å; F368-L384 HydrophobicContact CE1-CD2 4.4Å; F368-E390 HydrophobicContact CE1-CG 4.4Å; F368-E390 VanDerWaalsContact CE1-OE1 3.23Å; F368-E390 WeakPolarHBondContact CE1-OE1 3.47Å; F368-E390 WeakPolarHBondContact CE1-OE2 3.46Å; F368-Q420 HydrophobicContact CB-CG 4.38Å; F368-Q420 HydrophobicContact CD1-CG 3.93Å; F368-Q420 HydrophobicContact CD2-CG 4.32Å; F368-Q420 HydrophobicContact CE1-CG 4.33Å; F368-Q420 HydrophobicContact CG-CG 3.93Å; F368-Y423 HydrophobicContact CB-CD1 4.12Å; F368-Y423 HydrophobicContact CB-CE1 4.08Å; F368-Y423 HydrophobicContact CD1-CE1 4.14Å; F368-Y423 HydrophobicContact CG-CE1 4.5Å; F368-Y423 WeakPolarHBondContact O-CD1 3.29Å
369	G	98	Very high	97.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.185	C	C	.	.			trans	-75.6	145.2	-179	0	0	0	0	0	114.5	T365 Y380 G381	T365-G369 WeakPolarHBondContact O-CA 3.4Å; T365-G369 PolarHBondContact O-N 2.97Å; G369-Y380 WeakPolarHBondContact O-CD1 3.38Å; G369-Y380 PolarHBondContact O-N 3.01Å; G369-Y380 VanDerWaalsContact O-N 3.15Å; G369-G381 PolarHBondContact O-N 2.68Å
370	L	98.6	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.4	172.5	-61.6	177.9	0	0	0	110.2	V377 K378 A379 Y380 L384 L395 R401 Y423 F424 V425 S426	L370-V377 HydrophobicContact CB-CG1 3.84Å; L370-V377 HydrophobicContact CD1-CG1 3.87Å; L370-V377 HydrophobicContact CD2-CG1 4.47Å; L370-V377 HydrophobicContact CG-CG1 4.29Å; L370-K378 CarbonylContact C-O 3.53Å; L370-K378 VanDerWaalsContact CA-O 3.29Å; L370-K378 WeakPolarHBondContact CA-O 3.46Å; L370-A379 HydrophobicContact CD2-CB 4.02Å; L370-Y380 VanDerWaalsContact O-CE1 3.26Å; L370-Y380 WeakPolarHBondContact O-CE1 3.3Å; L370-L384 HydrophobicContact CD2-CD1 3.45Å; L370-L384 VanDerWaalsContact CD2-CD1 3.45Å; L370-L384 HydrophobicContact CG-CD1 4.27Å; L370-L395 HydrophobicContact CD2-CD2 4.09Å; L370-R401 HydrophobicContact CD1-CG 4.41Å; L370-Y423 HydrophobicContact CD1-CG 4.14Å; L370-F424 PolarHBondContact N-O 3.29Å; L370-F424 VanDerWaalsContact N-O 3.14Å; L370-V425 HydrophobicContact CB-CB 4.47Å; L370-V425 HydrophobicContact CB-CG1 4.45Å; L370-V425 HydrophobicContact CB-CG2 4.05Å; L370-V425 HydrophobicContact CD1-CG2 4.23Å; L370-V425 CarbonylContact O-C 3.5Å; L370-V425 VanDerWaalsContact O-CA 3.3Å; L370-V425 WeakPolarHBondContact O-CA 3.07Å; L370-S426 PolarHBondContact O-N 2.99Å
371	C	98.3	Very high	97.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.02	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	159.3	175	67.6	0	0	0	0	112.3	C240 V377 K378 Y380 S426 F429	C240-C371 VanDerWaalsContact CB-SG 3.56Å; C371-V377 CarbonylContact O-C 3.35Å; C371-V377 WeakPolarHBondContact O-CA 3.35Å; C371-K378 PolarHBondContact N-O 3.46Å; C371-K378 PolarHBondContact O-N 3.46Å; C371-Y380 HydrophobicContact CB-CD1 3.86Å; C371-Y380 HydrophobicContact CB-CE1 4.14Å; C371-S426 CarbonylContact C-O 3.6Å; C371-S426 VanDerWaalsContact CA-O 3.24Å; C371-S426 WeakPolarHBondContact CA-O 3Å; C371-F429 HydrophobicContact CB-CE1 4.38Å
372	K	97.9	Very high	97.3	Very high	82 Å²	82	27.3 Å²	27.3	36%	0.357	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.6	171.7	-69	-179.4	-172.4	165.7	0	111	I376 V425 S426 E427	K372-I376 WeakPolarHBondContact CA-O 3.48Å; K372-V425 HydrophobicContact CD-CG1 4.42Å; K372-V425 HydrophobicContact CG-CG1 3.7Å; K372-S426 PolarHBondContact N-O 2.69Å; K372-E427 WeakPolarHBondContact CD-OE1 3.34Å; K372-E427 WeakPolarHBondContact CE-OE1 3.27Å; K372-E427 IonicContact NZ-OE1 3.26Å; K372-E427 PolarHBondContact NZ-OE1 3.44Å; K372-E427 IonicContact NZ-OE2 2.73Å
373	Q	96.5	Very high	97.1	Very high	48 Å²	48	26.9 Å²	26.9	22%	0.224	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	113.3	173.3	-63.7	-169.8	-37.6	0	0	109.4	S241 E242 G375 I376 K378	S241-Q373 PolarHBondContact OG-NE2 3Å; E242-Q373 PolarHBondContact OE2-NE2 3.49Å; Q373-G375 PolarHBondContact O-N 3.22Å; Q373-I376 PolarHBondContact N-O 3.19Å; Q373-I376 PolarHBondContact O-N 3.07Å; Q373-K378 HydrophobicContact CB-CG 4.33Å; Q373-K378 HydrophobicContact CG-CG 4.46Å
374	G	93	Very high	97.1	Very high	90 Å²	90	24.9 Å²	24.9	93%	0.928	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	31	-176.9	0	0	0	0	0	113.8	I376	G374-I376 VanDerWaalsContact C-N 3.29Å; G374-I376 PolarHBondContact O-N 3.14Å
375	G	92.7	Very high	97	Very high	73 Å²	73	24.8 Å²	24.8	75%	0.753	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-2.9	-176.6	0	0	0	0	0	115.2	Q373	Q373-G375 PolarHBondContact O-N 3.22Å
376	I	96	Very high	96.9	Very high	107 Å²	107	25 Å²	25	55%	0.549	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.8	177.5	-56.8	174	0	0	0	109	K372 Q373 G374 K378	K372-I376 WeakPolarHBondContact CA-O 3.48Å; Q373-I376 PolarHBondContact N-O 3.19Å; Q373-I376 PolarHBondContact O-N 3.07Å; G374-I376 VanDerWaalsContact C-N 3.29Å; G374-I376 PolarHBondContact O-N 3.14Å; I376-K378 HydrophobicContact CG2-CD 4.45Å
377	V	97.7	Very high	96.7	Very high	35 Å²	35	25.8 Å²	25.8	21%	0.212	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.1	175.1	-177.8	0	0	0	0	109.9	L370 C371 L395 V425	L370-V377 HydrophobicContact CB-CG1 3.84Å; L370-V377 HydrophobicContact CD1-CG1 3.87Å; L370-V377 HydrophobicContact CD2-CG1 4.47Å; L370-V377 HydrophobicContact CG-CG1 4.29Å; C371-V377 CarbonylContact O-C 3.35Å; C371-V377 WeakPolarHBondContact O-CA 3.35Å; V377-L395 HydrophobicContact CB-CD2 4.35Å; V377-L395 HydrophobicContact CG1-CD2 3.9Å; V377-V425 HydrophobicContact CG1-CG1 4.33Å; V377-V425 HydrophobicContact CG1-CG2 4.37Å; V377-V425 HydrophobicContact CG2-CG1 4.37Å
378	K	98.3	Very high	96.5	Very high	32 Å²	32	29.8 Å²	29.8	14%	0.139	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.6	-178.5	-64.3	-63.7	-166.5	151.9	0	110.6	T237 H238 C240 L370 C371 Q373 I376	T237-K378 PolarHBondContact O-NZ 2.93Å; H238-K378 WeakPolarHBondContact O-CA 3.42Å; C240-K378 HydrophobicContact CB-CB 4.05Å; L370-K378 CarbonylContact C-O 3.53Å; L370-K378 VanDerWaalsContact CA-O 3.29Å; L370-K378 WeakPolarHBondContact CA-O 3.46Å; C371-K378 PolarHBondContact N-O 3.46Å; C371-K378 PolarHBondContact O-N 3.46Å; Q373-K378 HydrophobicContact CB-CG 4.33Å; Q373-K378 HydrophobicContact CG-CG 4.46Å; I376-K378 HydrophobicContact CG2-CD 4.45Å
379	A	98.5	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	139.4	176.9	0	0	0	0	0	112.1	H238 C240 L370 L384 L385 L391	H238-A379 PolarHBondContact O-N 3.4Å; C240-A379 PolarHBondContact N-O 3.11Å; L370-A379 HydrophobicContact CD2-CB 4.02Å; A379-L384 HydrophobicContact CB-CB 4.06Å; A379-L384 HydrophobicContact CB-CD1 3.9Å; A379-L385 HydrophobicContact CB-CD2 4.32Å; A379-L391 HydrophobicContact CB-CD1 3.45Å; A379-L391 VanDerWaalsContact CB-CD1 3.45Å
380	Y	98.4	Very high	96	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.012	20%	0.196	C	C	.	.			trans	-131.6	-14.1	166.6	74.3	-97.3	0	0	0	113	F336 T365 G369 L370 C371 L385 F429	F336-Y380 HydrophobicContact CD2-CD2 4.31Å; F336-Y380 HydrophobicContact CD2-CE2 4.47Å; F336-Y380 AromaticContact CE2-CD2 3.56Å; F336-Y380 HydrophobicContact CE2-CD2 3.56Å; F336-Y380 AromaticContact CE2-CE2 3.59Å; F336-Y380 HydrophobicContact CE2-CE2 3.59Å; F336-Y380 HydrophobicContact CZ-CD2 4.35Å; F336-Y380 HydrophobicContact CZ-CE2 4.42Å; T365-Y380 WeakPolarHBondContact CA-OH 3.28Å; T365-Y380 WeakPolarHBondContact O-CE2 3.39Å; G369-Y380 WeakPolarHBondContact O-CD1 3.38Å; G369-Y380 PolarHBondContact O-N 3.01Å; G369-Y380 VanDerWaalsContact O-N 3.15Å; L370-Y380 VanDerWaalsContact O-CE1 3.26Å; L370-Y380 WeakPolarHBondContact O-CE1 3.3Å; C371-Y380 HydrophobicContact CB-CD1 3.86Å; C371-Y380 HydrophobicContact CB-CE1 4.14Å; Y380-L385 WeakPolarHBondContact O-CD1 3.14Å; Y380-F429 AromaticContact CD1-CE1 3.64Å; Y380-F429 HydrophobicContact CD1-CE1 3.64Å; Y380-F429 HydrophobicContact CD1-CZ 4.35Å; Y380-F429 AromaticContact CD2-CE1 3.91Å; Y380-F429 HydrophobicContact CD2-CE1 3.91Å; Y380-F429 HydrophobicContact CD2-CZ 4.41Å; Y380-F429 HydrophobicContact CE1-CE1 4.03Å; Y380-F429 HydrophobicContact CE2-CE1 4.31Å; Y380-F429 AromaticContact CG-CE1 3.55Å; Y380-F429 HydrophobicContact CG-CE1 3.55Å; Y380-F429 AromaticContact CG-CZ 3.95Å; Y380-F429 HydrophobicContact CG-CZ 3.95Å
381	G	98	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	20%	0.196	C	C	.	.			trans	-62.7	134.9	175.8	0	0	0	0	0	112.5	V366 E367 G369 G383 L384 L385	V366-G381 WeakPolarHBondContact O-CA 3.38Å; E367-G381 CarbonylContact O-C 3.54Å; E367-G381 WeakPolarHBondContact O-CA 3.41Å; G369-G381 PolarHBondContact O-N 2.68Å; G381-G383 PolarHBondContact O-N 2.9Å; G381-L384 WeakPolarHBondContact O-CB 3.38Å; G381-L384 PolarHBondContact O-N 3.12Å; G381-L384 VanDerWaalsContact O-N 3.15Å; G381-L385 WeakPolarHBondContact O-CG 3.47Å; G381-L385 PolarHBondContact O-N 2.92Å
382	A	97.3	Very high	95.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-38.3	-177.2	0	0	0	0	0	113.5	H327 V366 E367 L384 L385 S386	H327-A382 HydrophobicContact CB-CB 4.35Å; H327-A382 VanDerWaalsContact CD2-CB 3.47Å; H327-A382 WeakPolarHBondContact CD2-CB 3.1Å; H327-A382 WeakPolarHBondContact CE1-CB 3.27Å; H327-A382 VanDerWaalsContact CG-CB 3.49Å; H327-A382 WeakPolarHBondContact ND1-CB 3.33Å; H327-A382 WeakPolarHBondContact NE2-CB 3.42Å; V366-A382 PolarHBondContact O-N 3.49Å; E367-A382 PolarHBondContact O-N 3.2Å; E367-A382 VanDerWaalsContact O-N 3.07Å; A382-L384 VanDerWaalsContact C-N 3.26Å; A382-L384 PolarHBondContact O-N 3.43Å; A382-L385 PolarHBondContact O-N 2.77Å; A382-S386 WeakPolarHBondContact O-CB 3.41Å; A382-S386 PolarHBondContact O-N 3.07Å; A382-S386 PolarHBondContact O-OG 3.12Å
383	G	94.9	Very high	95.7	Very high	6 Å²	6	31.5 Å²	31.5	6%	0.062	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-36.9	173.1	0	0	0	0	0	112.3	E367 G381 S387	E367-G383 WeakPolarHBondContact O-CA 3.48Å; E367-G383 PolarHBondContact O-N 2.84Å; G381-G383 PolarHBondContact O-N 2.9Å; G383-S387 WeakPolarHBondContact O-CB 3.29Å; G383-S387 PolarHBondContact O-N 3.2Å
384	L	96.3	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.1	-49.7	174.2	-56.6	-179	0	0	0	111.3	F368 L370 A379 G381 A382 S386 S387 E390 L391 A394 Y423	F368-L384 HydrophobicContact CD1-CD2 3.77Å; F368-L384 HydrophobicContact CD1-CG 4.12Å; F368-L384 HydrophobicContact CE1-CD2 4.4Å; L370-L384 HydrophobicContact CD2-CD1 3.45Å; L370-L384 VanDerWaalsContact CD2-CD1 3.45Å; L370-L384 HydrophobicContact CG-CD1 4.27Å; A379-L384 HydrophobicContact CB-CB 4.06Å; A379-L384 HydrophobicContact CB-CD1 3.9Å; G381-L384 WeakPolarHBondContact O-CB 3.38Å; G381-L384 PolarHBondContact O-N 3.12Å; G381-L384 VanDerWaalsContact O-N 3.15Å; A382-L384 VanDerWaalsContact C-N 3.26Å; A382-L384 PolarHBondContact O-N 3.43Å; L384-S386 PolarHBondContact O-N 3.05Å; L384-S386 VanDerWaalsContact O-N 3.14Å; L384-S387 PolarHBondContact O-N 3.48Å; L384-E390 HydrophobicContact CD2-CB 4.44Å; L384-E390 HydrophobicContact CD2-CG 3.81Å; L384-L391 HydrophobicContact CB-CD1 4.15Å; L384-L391 WeakPolarHBondContact O-CB 3.33Å; L384-A394 HydrophobicContact CD1-CB 4.07Å; L384-A394 HydrophobicContact CD2-CB 3.62Å; L384-A394 HydrophobicContact CG-CB 4.47Å; L384-Y423 HydrophobicContact CD2-CE1 3.76Å
385	L	97	Very high	95.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-71.6	-8	-174.1	-68.1	166.6	0	0	0	113.6	Y235 A239 H243 I330 A379 Y380 G381 A382	Y235-L385 HydrophobicContact CD1-CD2 4.1Å; Y235-L385 HydrophobicContact CE1-CB 4.39Å; Y235-L385 HydrophobicContact CE1-CD2 4.05Å; Y235-L385 WeakPolarHBondContact CE1-O 3.41Å; Y235-L385 PolarHBondContact OH-O 3.25Å; A239-L385 HydrophobicContact CB-CD2 3.59Å; H243-L385 WeakPolarHBondContact CD2-CD1 3.4Å; I330-L385 HydrophobicContact CG1-CD1 4.2Å; A379-L385 HydrophobicContact CB-CD2 4.32Å; Y380-L385 WeakPolarHBondContact O-CD1 3.14Å; G381-L385 WeakPolarHBondContact O-CG 3.47Å; G381-L385 PolarHBondContact O-N 2.92Å; A382-L385 PolarHBondContact O-N 2.77Å
386	S	95.7	Very high	96	Very high	5 Å²	5	25 Å²	25	4%	0.035	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	2.1	177.5	60.8	0	0	0	0	114.4	H322 A382 L384	H322-S386 PolarHBondContact ND1-OG 3.18Å; A382-S386 WeakPolarHBondContact O-CB 3.41Å; A382-S386 PolarHBondContact O-N 3.07Å; A382-S386 PolarHBondContact O-OG 3.12Å; L384-S386 PolarHBondContact O-N 3.05Å; L384-S386 VanDerWaalsContact O-N 3.14Å
387	S	92.9	Very high	96	Very high	18 Å²	18	27.6 Å²	27.6	13%	0.126	15%	0.149	C	C	.	.			trans	-130.6	110.2	-176.8	178.3	0	0	0	0	110.3	G383 L384 G389 E390 L391	G383-S387 WeakPolarHBondContact O-CB 3.29Å; G383-S387 PolarHBondContact O-N 3.2Å; L384-S387 PolarHBondContact O-N 3.48Å; S387-G389 PolarHBondContact O-N 3.24Å; S387-E390 PolarHBondContact O-N 2.75Å; S387-E390 WeakPolarHBondContact OG-CB 3.44Å; S387-E390 PolarHBondContact OG-N 3.2Å; S387-L391 VanDerWaalsContact O-CB 3.28Å; S387-L391 WeakPolarHBondContact O-CB 3.46Å; S387-L391 PolarHBondContact O-N 3.41Å
388	Y	92.1	Very high	95.9	Very high	109 Å²	109	33.5 Å²	33.5	43%	0.427	18%	0.175	S	C	.	.	H	α-helix	trans	-55.7	-51.9	-179.6	170.4	-91.3	0	0	0	111.7	T230 L234 E390 L391 V392	T230-Y388 HydrophobicContact CG2-CD2 3.43Å; T230-Y388 VanDerWaalsContact CG2-CD2 3.43Å; T230-Y388 HydrophobicContact CG2-CE2 4.05Å; T230-Y388 HydrophobicContact CG2-CG 3.96Å; L234-Y388 HydrophobicContact CD1-CD2 3.3Å; L234-Y388 HydrophobicContact CD1-CE2 3.51Å; L234-Y388 HydrophobicContact CD1-CG 4.28Å; L234-Y388 HydrophobicContact CD2-CE2 4.29Å; L234-Y388 HydrophobicContact CG-CD2 4.12Å; L234-Y388 HydrophobicContact CG-CE2 4.05Å; Y388-E390 PolarHBondContact O-N 2.89Å; Y388-L391 PolarHBondContact O-N 3.45Å; Y388-V392 HydrophobicContact CE1-CG2 4.42Å; Y388-V392 HydrophobicContact CE2-CG2 4.41Å; Y388-V392 WeakPolarHBondContact O-CG2 3.46Å; Y388-V392 PolarHBondContact O-N 2.95Å
389	G	92.4	Very high	95.8	Very high	18 Å²	18	32.6 Å²	32.6	19%	0.186	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-37.9	-174.5	0	0	0	0	0	112.5	S387 H393 Y419	S387-G389 PolarHBondContact O-N 3.24Å; G389-H393 WeakPolarHBondContact O-CB 3.45Å; G389-H393 PolarHBondContact O-N 2.68Å; G389-Y419 WeakPolarHBondContact CA-OH 3.44Å
390	E	94.3	Very high	95.8	Very high	18 Å²	18	37.2 Å²	37.2	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-75.7	-32.3	-179.9	-159.1	159.7	-172.4	0	0	112.7	F368 L384 S387 Y388 H393 A394 Y419 Q420 Y423	F368-E390 HydrophobicContact CE1-CG 4.4Å; F368-E390 VanDerWaalsContact CE1-OE1 3.23Å; F368-E390 WeakPolarHBondContact CE1-OE1 3.47Å; F368-E390 WeakPolarHBondContact CE1-OE2 3.46Å; L384-E390 HydrophobicContact CD2-CB 4.44Å; L384-E390 HydrophobicContact CD2-CG 3.81Å; S387-E390 PolarHBondContact O-N 2.75Å; S387-E390 WeakPolarHBondContact OG-CB 3.44Å; S387-E390 PolarHBondContact OG-N 3.2Å; Y388-E390 PolarHBondContact O-N 2.89Å; E390-H393 PolarHBondContact O-N 3.3Å; E390-A394 VanDerWaalsContact O-CB 3.23Å; E390-A394 WeakPolarHBondContact O-CB 3.43Å; E390-A394 PolarHBondContact O-N 3.01Å; E390-Y419 HydrophobicContact CB-CD1 3.71Å; E390-Y419 HydrophobicContact CB-CE1 3.85Å; E390-Y419 HydrophobicContact CB-CG 4.37Å; E390-Y419 HydrophobicContact CG-CD1 3.69Å; E390-Y419 HydrophobicContact CG-CE1 4.35Å; E390-Y419 HydrophobicContact CG-CG 4.08Å; E390-Q420 PolarHBondContact OE1-N 3.42Å; E390-Y423 WeakPolarHBondContact CG-OH 3.49Å; E390-Y423 PolarHBondContact OE1-OH 3.49Å
391	L	95.5	Very high	95.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-44.7	172.2	-172.5	53.7	0	0	0	112.1	L234 H238 A379 L384 S387 Y388 L395	L234-L391 HydrophobicContact CB-CD2 3.99Å; L234-L391 HydrophobicContact CD1-CD2 3.96Å; L234-L391 HydrophobicContact CD1-CG 4.5Å; H238-L391 HydrophobicContact CB-CD1 3.84Å; H238-L391 HydrophobicContact CB-CD2 3.83Å; H238-L391 HydrophobicContact CB-CG 3.79Å; A379-L391 HydrophobicContact CB-CD1 3.45Å; A379-L391 VanDerWaalsContact CB-CD1 3.45Å; L384-L391 HydrophobicContact CB-CD1 4.15Å; L384-L391 WeakPolarHBondContact O-CB 3.33Å; S387-L391 VanDerWaalsContact O-CB 3.28Å; S387-L391 WeakPolarHBondContact O-CB 3.46Å; S387-L391 PolarHBondContact O-N 3.41Å; Y388-L391 PolarHBondContact O-N 3.45Å; L391-L395 HydrophobicContact CD1-CD1 4.37Å; L391-L395 PolarHBondContact O-N 2.97Å
392	V	95.5	Very high	95.7	Very high	57 Å²	57	45 Å²	45	35%	0.345	22%	0.223	S	C	.	.	H	α-helix	trans	-66.9	-45.2	176.8	174	0	0	0	0	110.4	L234 Y388 L395 S396	L234-V392 HydrophobicContact CD1-CG2 4.04Å; Y388-V392 HydrophobicContact CE1-CG2 4.42Å; Y388-V392 HydrophobicContact CE2-CG2 4.41Å; Y388-V392 WeakPolarHBondContact O-CG2 3.46Å; Y388-V392 PolarHBondContact O-N 2.95Å; V392-L395 PolarHBondContact O-N 3.46Å; V392-S396 PolarHBondContact O-N 3.31Å; V392-S396 VanDerWaalsContact O-N 3.09Å
393	H	96.1	Very high	95.7	Very high	42 Å²	42	50.7 Å²	50.7	19%	0.194	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-50.9	178.1	175.6	77.3	0	0	0	112.1	G389 E390 L395 S396 P399 Y419 Q420 Y423	G389-H393 WeakPolarHBondContact O-CB 3.45Å; G389-H393 PolarHBondContact O-N 2.68Å; E390-H393 PolarHBondContact O-N 3.3Å; H393-L395 PolarHBondContact O-N 3.15Å; H393-L395 VanDerWaalsContact O-N 3.13Å; H393-S396 WeakPolarHBondContact O-CB 3.5Å; H393-S396 PolarHBondContact O-N 2.9Å; H393-S396 PolarHBondContact O-OG 3.04Å; H393-P399 VanDerWaalsContact O-CD 3.29Å; H393-P399 WeakPolarHBondContact O-CD 3.16Å; H393-P399 WeakPolarHBondContact O-CG 3.23Å; H393-Y419 HydrophobicContact CB-CD2 3.71Å; H393-Y419 HydrophobicContact CB-CE2 4.25Å; H393-Y419 HydrophobicContact CB-CG 4.29Å; H393-Y419 VanDerWaalsContact CD2-CB 3.45Å; H393-Y419 WeakPolarHBondContact CD2-CB 3.35Å; H393-Y419 AromaticContact CG-CD2 3.72Å; H393-Q420 PolarHBondContact NE2-O 3.5Å; H393-Y423 AromaticContact CD2-CE2 3.97Å; H393-Y423 PolarHBondContact CD2-OH 3.41Å
394	A	96.8	Very high	95.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-28.8	-178.5	0	0	0	0	0	113.3	L384 E390 R401 Y423	L384-A394 HydrophobicContact CD1-CB 4.07Å; L384-A394 HydrophobicContact CD2-CB 3.62Å; L384-A394 HydrophobicContact CG-CB 4.47Å; E390-A394 VanDerWaalsContact O-CB 3.23Å; E390-A394 WeakPolarHBondContact O-CB 3.43Å; E390-A394 PolarHBondContact O-N 3.01Å; A394-R401 PolarHBondContact O-NE 3.49Å; A394-R401 VanDerWaalsContact O-NE 3.11Å; A394-R401 PolarHBondContact O-NH2 2.79Å; A394-Y423 HydrophobicContact CB-CD1 4.33Å; A394-Y423 HydrophobicContact CB-CD2 4.2Å; A394-Y423 HydrophobicContact CB-CE1 3.9Å; A394-Y423 HydrophobicContact CB-CE2 3.75Å; A394-Y423 HydrophobicContact CB-CG 4.48Å
395	L	96.7	Very high	96	Very high	40 Å²	40	54.1 Å²	54.1	21%	0.209	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	3.5	179.2	-64.4	-179.5	0	0	0	114.4	H238 L370 V377 L391 V392 H393 R401	H238-L395 HydrophobicContact CB-CD1 3.63Å; L370-L395 HydrophobicContact CD2-CD2 4.09Å; V377-L395 HydrophobicContact CB-CD2 4.35Å; V377-L395 HydrophobicContact CG1-CD2 3.9Å; L391-L395 HydrophobicContact CD1-CD1 4.37Å; L391-L395 PolarHBondContact O-N 2.97Å; V392-L395 PolarHBondContact O-N 3.46Å; H393-L395 PolarHBondContact O-N 3.15Å; H393-L395 VanDerWaalsContact O-N 3.13Å; L395-R401 PolarHBondContact O-NH2 3.5Å; L395-R401 VanDerWaalsContact O-NH2 3.16Å
396	S	96.4	Very high	96	Very high	34 Å²	34	54.3 Å²	54.3	24%	0.238	27%	0.268	C	S	.	.	S	Bend	trans	-84.8	-179	171.8	78.1	0	0	0	0	113.6	V392 H393 E398 P399 R401	V392-S396 PolarHBondContact O-N 3.31Å; V392-S396 VanDerWaalsContact O-N 3.09Å; H393-S396 WeakPolarHBondContact O-CB 3.5Å; H393-S396 PolarHBondContact O-N 2.9Å; H393-S396 PolarHBondContact O-OG 3.04Å; S396-E398 VanDerWaalsContact C-N 3.31Å; S396-E398 PolarHBondContact OG-N 2.77Å; S396-P399 WeakPolarHBondContact OG-CD 3.12Å; S396-R401 PolarHBondContact O-NH2 2.64Å
397	D	94.6	Very high	96.1	Very high	161 Å²	161	59.9 Å²	59.9	86%	0.861	29%	0.293	S	S	*	.	S	Bend	trans	-86.8	1	175.6	-64.2	-34.7	0	0	0	113.6
398	E	95.6	Very high	96.4	Very high	160 Å²	160	61 Å²	61	75%	0.748	30%	0.304	S	S	*	.	S	Bend	trans	-74.8	-48	-175.9	-64.1	-69.8	155.7	0	0	114.5	S396	S396-E398 VanDerWaalsContact C-N 3.31Å; S396-E398 PolarHBondContact OG-N 2.77Å
399	P	96.9	Very high	96.6	Very high	13 Å²	13	55.8 Å²	55.8	8%	0.084	28%	0.283	C	S	.	.	S	Bend	trans	-83	153.3	-176.9	33.8	-36	0	0	0	112.8	H393 S396 Y423	H393-P399 VanDerWaalsContact O-CD 3.29Å; H393-P399 WeakPolarHBondContact O-CD 3.16Å; H393-P399 WeakPolarHBondContact O-CG 3.23Å; S396-P399 WeakPolarHBondContact OG-CD 3.12Å; P399-Y423 HydrophobicContact CB-CD2 3.63Å; P399-Y423 HydrophobicContact CB-CE2 3.57Å; P399-Y423 HydrophobicContact CG-CD2 3.85Å; P399-Y423 HydrophobicContact CG-CE2 3.77Å
400	E	97.7	Very high	96.9	Very high	96 Å²	96	55.1 Å²	55.1	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.9	170.2	-169.5	-174.8	167	0	0	110.2	R402 S421 V422 Y423	E400-R402 VanDerWaalsContact CD-NE 3.27Å; E400-R402 VanDerWaalsContact CD-NH2 3.32Å; E400-R402 HydrophobicContact CG-CG 4.33Å; E400-R402 IonicContact OE1-CZ 2.68Å; E400-R402 IonicContact OE1-NE 3.83Å; E400-R402 PolarHBondContact OE1-NE 3.44Å; E400-R402 IonicContact OE1-NH2 2.81Å; E400-R402 PolarHBondContact OE1-NH2 2.89Å; E400-R402 IonicContact OE2-CZ 3.11Å; E400-R402 IonicContact OE2-NE 2.93Å; E400-R402 IonicContact OE2-NH2 3.91Å; E400-R402 PolarHBondContact OE2-NH2 2.96Å; E400-S421 PolarHBondContact N-O 2.89Å; E400-V422 HydrophobicContact CB-CG2 4.35Å; E400-V422 CarbonylContact O-C 3.49Å; E400-V422 WeakPolarHBondContact O-CA 3.5Å; E400-Y423 PolarHBondContact O-N 3.26Å
401	R	97.6	Very high	97	Very high	83 Å²	83	60 Å²	60	31%	0.313	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.2	173.2	-63	-177	-170.9	122.9	5.5	110.2	L370 A394 L395 S396 Y423 V425	L370-R401 HydrophobicContact CD1-CG 4.41Å; A394-R401 PolarHBondContact O-NE 3.49Å; A394-R401 VanDerWaalsContact O-NE 3.11Å; A394-R401 PolarHBondContact O-NH2 2.79Å; L395-R401 PolarHBondContact O-NH2 3.5Å; L395-R401 VanDerWaalsContact O-NH2 3.16Å; S396-R401 PolarHBondContact O-NH2 2.64Å; R401-Y423 WeakPolarHBondContact CA-O 3.49Å; R401-V425 HydrophobicContact CB-CG2 3.96Å; R401-V425 HydrophobicContact CG-CG2 4.42Å
402	R	97.8	Very high	97.1	Very high	85 Å²	85	61.8 Å²	61.8	32%	0.321	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	154	177.4	-60.4	-178.5	-172.6	153.8	11	110.3	E400 V422 Y423 F424 V425	E400-R402 VanDerWaalsContact CD-NE 3.27Å; E400-R402 VanDerWaalsContact CD-NH2 3.32Å; E400-R402 HydrophobicContact CG-CG 4.33Å; E400-R402 IonicContact OE1-CZ 2.68Å; E400-R402 IonicContact OE1-NE 3.83Å; E400-R402 PolarHBondContact OE1-NE 3.44Å; E400-R402 IonicContact OE1-NH2 2.81Å; E400-R402 PolarHBondContact OE1-NH2 2.89Å; E400-R402 IonicContact OE2-CZ 3.11Å; E400-R402 IonicContact OE2-NE 2.93Å; E400-R402 IonicContact OE2-NH2 3.91Å; E400-R402 PolarHBondContact OE2-NH2 2.96Å; R402-V422 HydrophobicContact CG-CG1 4.31Å; R402-Y423 PolarHBondContact N-O 3.45Å; R402-F424 HydrophobicContact CB-CD1 4.05Å; R402-F424 HydrophobicContact CB-CE1 4.07Å; R402-F424 CarbonylContact O-C 3.51Å; R402-F424 WeakPolarHBondContact O-CA 3.31Å; R402-V425 PolarHBondContact O-N 3.24Å
403	E	97.8	Very high	97.1	Very high	119 Å²	119	64 Å²	64	56%	0.556	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	139.6	168.4	-171.8	-174.6	154	0	0	109.7	D405 F424 K435	E403-D405 PolarHBondContact O-N 2.93Å; E403-D405 VanDerWaalsContact O-N 3.11Å; E403-F424 WeakPolarHBondContact O-CD1 3.49Å; E403-K435 IonicContact OE1-NZ 3.87Å; E403-K435 PolarHBondContact OE1-NZ 3.2Å
404	F	98.4	Very high	97	Very high	1 Å²	1	66.5 Å²	66.5	0%	0.004	33%	0.334	C	S	.	.			trans	-65.1	111	174.7	180	-116.5	0	0	0	111.2	L361 T365 P406 A409 F424 V425 A432 K435	L361-F404 HydrophobicContact CD2-CE2 4.14Å; L361-F404 HydrophobicContact CD2-CZ 4.3Å; T365-F404 HydrophobicContact CG2-CD2 3.88Å; T365-F404 HydrophobicContact CG2-CE1 4.3Å; T365-F404 HydrophobicContact CG2-CE2 3.31Å; T365-F404 HydrophobicContact CG2-CZ 3.55Å; F404-P406 HydrophobicContact CE1-CG 3.92Å; F404-P406 HydrophobicContact CZ-CB 4.41Å; F404-P406 HydrophobicContact CZ-CG 3.82Å; F404-A409 HydrophobicContact CD2-CB 4.27Å; F404-A409 HydrophobicContact CE2-CB 4.02Å; F404-F424 HydrophobicContact CB-CB 4.24Å; F404-F424 HydrophobicContact CD2-CB 4.05Å; F404-F424 HydrophobicContact CD2-CG 4.48Å; F404-V425 PolarHBondContact N-O 2.67Å; F404-A432 HydrophobicContact CD1-CB 4.01Å; F404-A432 HydrophobicContact CE1-CB 4.03Å; F404-K435 HydrophobicContact CD1-CD 4.39Å; F404-K435 HydrophobicContact CE1-CB 4.46Å; F404-K435 WeakPolarHBondContact O-CD 3.32Å; F404-K435 PolarHBondContact O-NZ 2.84Å
405	D	98.2	Very high	96.6	Very high	78 Å²	78	69.5 Å²	69.5	42%	0.417	35%	0.347	S	S	.	.			trans	-125	116.3	167.3	171.4	18.1	0	0	0	107.9	E403 E407 A408 A409	E403-D405 PolarHBondContact O-N 2.93Å; E403-D405 VanDerWaalsContact O-N 3.11Å; D405-E407 VanDerWaalsContact C-N 3.26Å; D405-E407 PolarHBondContact O-N 2.98Å; D405-E407 PolarHBondContact OD1-N 3.07Å; D405-A408 HydrophobicContact CB-CB 4.23Å; D405-A408 PolarHBondContact O-N 3.42Å; D405-A409 VanDerWaalsContact O-CB 3.31Å; D405-A409 WeakPolarHBondContact O-CB 3.45Å; D405-A409 PolarHBondContact O-N 3.38Å
406	P	97.9	Very high	96	Very high	4 Å²	4	71.2 Å²	71.2	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-56.5	-35.2	-178.9	-26.5	33.5	0	0	0	114.5	L361 F404 A409 A410 K435 Y439	L361-P406 HydrophobicContact CD2-CB 3.91Å; L361-P406 WeakPolarHBondContact CD2-O 3.22Å; F404-P406 HydrophobicContact CE1-CG 3.92Å; F404-P406 HydrophobicContact CZ-CB 4.41Å; F404-P406 HydrophobicContact CZ-CG 3.82Å; P406-A409 PolarHBondContact O-N 3.3Å; P406-A410 WeakPolarHBondContact O-CB 3.13Å; P406-A410 PolarHBondContact O-N 3.23Å; P406-K435 HydrophobicContact CG-CB 3.84Å; P406-Y439 HydrophobicContact CB-CD1 4.43Å; P406-Y439 HydrophobicContact CB-CD2 3.77Å; P406-Y439 HydrophobicContact CB-CG 3.68Å
407	E	97.5	Very high	95.4	Very high	121 Å²	121	76.9 Å²	76.9	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-65.7	-43.7	-179.5	-68	-69.4	173.8	0	0	111.1	D405 Y439	D405-E407 VanDerWaalsContact C-N 3.26Å; D405-E407 PolarHBondContact O-N 2.98Å; D405-E407 PolarHBondContact OD1-N 3.07Å; E407-Y439 HydrophobicContact CG-CD2 4.15Å; E407-Y439 HydrophobicContact CG-CE2 4.48Å; E407-Y439 WeakPolarHBondContact OE1-CD2 3.15Å
408	A	97.9	Very high	95	Very high	42 Å²	42	74.4 Å²	74.4	35%	0.347	37%	0.366	S	S	.	.	H	α-helix	trans	-71.8	-41.6	176.4	0	0	0	0	0	112.4	D405 Q412 F424	D405-A408 HydrophobicContact CB-CB 4.23Å; D405-A408 PolarHBondContact O-N 3.42Å; A408-Q412 PolarHBondContact O-N 3.48Å; A408-F424 HydrophobicContact CB-CE1 4.44Å
409	A	97.9	Very high	94.9	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-39.4	-178	0	0	0	0	0	112.1	T360 L361 F364 F404 D405 P406 I411 Q412 F424	T360-A409 WeakPolarHBondContact CG2-O 3.31Å; L361-A409 HydrophobicContact CD2-CB 3.89Å; F364-A409 HydrophobicContact CB-CB 4.48Å; F404-A409 HydrophobicContact CD2-CB 4.27Å; F404-A409 HydrophobicContact CE2-CB 4.02Å; D405-A409 VanDerWaalsContact O-CB 3.31Å; D405-A409 WeakPolarHBondContact O-CB 3.45Å; D405-A409 PolarHBondContact O-N 3.38Å; P406-A409 PolarHBondContact O-N 3.3Å; A409-I411 PolarHBondContact O-N 3.03Å; A409-I411 VanDerWaalsContact O-N 3.1Å; A409-Q412 PolarHBondContact O-N 3.21Å; A409-F424 HydrophobicContact CB-CD1 4.2Å; A409-F424 HydrophobicContact CB-CD2 4.14Å; A409-F424 HydrophobicContact CB-CE1 3.96Å; A409-F424 HydrophobicContact CB-CE2 3.89Å; A409-F424 HydrophobicContact CB-CG 4.26Å; A409-F424 HydrophobicContact CB-CZ 3.79Å
410	A	97.4	Very high	94.8	Very high	4 Å²	4	71.6 Å²	71.6	3%	0.033	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.8	-176.4	0	0	0	0	0	115	K357 T360 L361 P406 Y439	K357-A410 HydrophobicContact CB-CB 4.07Å; K357-A410 HydrophobicContact CG-CB 4.26Å; T360-A410 WeakPolarHBondContact CB-O 3.47Å; L361-A410 HydrophobicContact CD1-CB 4.15Å; L361-A410 HydrophobicContact CD2-CB 4.1Å; L361-A410 HydrophobicContact CG-CB 3.85Å; P406-A410 WeakPolarHBondContact O-CB 3.13Å; P406-A410 PolarHBondContact O-N 3.23Å; A410-Y439 HydrophobicContact CB-CE2 4.18Å; A410-Y439 WeakPolarHBondContact CB-OH 3.5Å
411	I	96.9	Very high	94.7	Very high	120 Å²	120	71.2 Å²	71.2	62%	0.615	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	2.7	-179.1	64.9	171.2	0	0	0	113	A409 P413	A409-I411 PolarHBondContact O-N 3.03Å; A409-I411 VanDerWaalsContact O-N 3.1Å; I411-P413 VanDerWaalsContact O-CD 3.29Å; I411-P413 WeakPolarHBondContact O-CD 3.27Å
412	Q	97.7	Very high	94.7	Very high	37 Å²	37	67.7 Å²	67.7	17%	0.173	34%	0.344	C	S	.	.			trans	-70.3	122.9	-179.4	171.2	61.3	55.7	0	0	109.6	T360 F364 A408 A409 F424	T360-Q412 WeakPolarHBondContact CG2-O 3.43Å; F364-Q412 HydrophobicContact CD2-CB 4.28Å; F364-Q412 HydrophobicContact CD2-CG 4.44Å; F364-Q412 HydrophobicContact CE1-CG 4.19Å; F364-Q412 HydrophobicContact CE2-CB 3.59Å; F364-Q412 HydrophobicContact CE2-CG 3.5Å; F364-Q412 WeakPolarHBondContact CE2-O 3.25Å; F364-Q412 HydrophobicContact CZ-CB 3.99Å; F364-Q412 HydrophobicContact CZ-CG 3.33Å; A408-Q412 PolarHBondContact O-N 3.48Å; A409-Q412 PolarHBondContact O-N 3.21Å; Q412-F424 HydrophobicContact CB-CE2 4.1Å; Q412-F424 HydrophobicContact CB-CZ 4.22Å; Q412-F424 HydrophobicContact CG-CE2 4.03Å; Q412-F424 HydrophobicContact CG-CZ 4.39Å
413	P	95.6	Very high	94.7	Very high	103 Å²	103	63.7 Å²	63.7	67%	0.669	33%	0.329	S	S	*	.			trans	-64.5	145.1	173.1	-21.9	33.7	0	0	0	111.8	I411	I411-P413 VanDerWaalsContact O-CD 3.29Å; I411-P413 WeakPolarHBondContact O-CD 3.27Å
414	Y	93.1	Very high	94.8	Very high	96 Å²	96	58.1 Å²	58.1	38%	0.376	30%	0.303	S	S	.	.			trans	-145.2	173.3	175.5	64.2	-89.1	0	0	0	111.4	T360 W363 F364	T360-Y414 HydrophobicContact CG2-CD1 4.06Å; T360-Y414 HydrophobicContact CG2-CE1 3.86Å; W363-Y414 HydrophobicContact CB-CE1 4.29Å; W363-Y414 HydrophobicContact CB-CE2 4.42Å; W363-Y414 AromaticContact CD1-CD1 3.99Å; W363-Y414 AromaticContact CD1-CD2 3.72Å; W363-Y414 AromaticContact CD1-CG 3.63Å; W363-Y414 AromaticContact CD2-CD2 3.55Å; W363-Y414 HydrophobicContact CD2-CD2 3.55Å; W363-Y414 AromaticContact CD2-CE2 3.4Å; W363-Y414 HydrophobicContact CD2-CE2 3.4Å; W363-Y414 VanDerWaalsContact CD2-CE2 3.4Å; W363-Y414 HydrophobicContact CD2-CG 4.25Å; W363-Y414 AromaticContact CE2-CD2 3.23Å; W363-Y414 AromaticContact CE2-CE2 3.61Å; W363-Y414 AromaticContact CE2-CG 3.93Å; W363-Y414 HydrophobicContact CE3-CD2 4.2Å; W363-Y414 AromaticContact CE3-CE2 3.67Å; W363-Y414 HydrophobicContact CE3-CE2 3.67Å; W363-Y414 HydrophobicContact CG-CD1 4.26Å; W363-Y414 AromaticContact CG-CD2 3.84Å; W363-Y414 HydrophobicContact CG-CD2 3.84Å; W363-Y414 HydrophobicContact CG-CE1 4.22Å; W363-Y414 AromaticContact CG-CE2 3.77Å; W363-Y414 HydrophobicContact CG-CE2 3.77Å; W363-Y414 HydrophobicContact CG-CG 4.08Å; W363-Y414 AromaticContact CG-CZ 3.96Å; W363-Y414 HydrophobicContact CH2-CD2 4.27Å; W363-Y414 HydrophobicContact CH2-CE2 4.25Å; W363-Y414 AromaticContact CZ2-CD2 3.63Å; W363-Y414 HydrophobicContact CZ2-CD2 3.63Å; W363-Y414 HydrophobicContact CZ2-CE2 4.03Å; W363-Y414 HydrophobicContact CZ3-CE2 4.09Å; W363-Y414 AromaticContact NE1-CD2 3.36Å; W363-Y414 AromaticContact NE1-CG 3.53Å; F364-Y414 AromaticContact CE2-CD1 3.93Å; F364-Y414 HydrophobicContact CE2-CD1 3.93Å; F364-Y414 HydrophobicContact CE2-CG 4.45Å; F364-Y414 HydrophobicContact CZ-CD1 4.3Å; F364-Y414 HydrophobicContact CZ-CG 4.38Å
415	Q	89.5	Confident	94.8	Very high	62 Å²	62	58.4 Å²	58.4	29%	0.29	30%	0.304	S	S	.	.			trans	-144.6	159.5	176.8	60.3	75.2	49.2	0	0	110	N418 Q420	Q415-N418 VanDerWaalsContact NE2-C 3.28Å; Q415-N418 PolarHBondContact NE2-O 3.15Å; Q415-N418 PolarHBondContact OE1-ND2 3.06Å; Q415-Q420 PolarHBondContact O-NE2 3.34Å
416	D	83.9	Confident	94.8	Very high	76 Å²	76	54.7 Å²	54.7	41%	0.406	29%	0.285	S	S	.	.	S	Bend	trans	-113.1	7	-171.2	61.9	-11	0	0	0	114.3	K174 W363	K174-D416 IonicContact NZ-OD1 3.1Å; K174-D416 IonicContact NZ-OD2 3.54Å; K174-D416 PolarHBondContact NZ-OD2 3.02Å; W363-D416 HydrophobicContact CH2-CB 3.81Å; W363-D416 HydrophobicContact CZ2-CB 4.48Å
417	Q	83.2	Confident	94.7	Very high	154 Å²	154	58.1 Å²	58.1	72%	0.72	30%	0.3	S	S	*	.	S	Bend	trans	-98.3	-35.4	-175.9	-61.1	179.8	-1.1	0	0	113.5
418	N	87.4	Confident	94.7	Very high	109 Å²	109	54.8 Å²	54.8	58%	0.583	29%	0.291	S	S	*	.	S	Bend	trans	-118.5	172.4	-177.8	-55.5	-75.5	0	0	0	110.7	Q415 Q420	Q415-N418 VanDerWaalsContact NE2-C 3.28Å; Q415-N418 PolarHBondContact NE2-O 3.15Å; Q415-N418 PolarHBondContact OE1-ND2 3.06Å; N418-Q420 PolarHBondContact O-NE2 2.71Å
419	Y	93.2	Very high	94.6	Very high	107 Å²	107	53.4 Å²	53.4	42%	0.42	28%	0.277	S	S	.	.			trans	-62.8	147	171.7	-55.9	-27.2	0	0	0	111.8	G389 E390 H393	G389-Y419 WeakPolarHBondContact CA-OH 3.44Å; E390-Y419 HydrophobicContact CB-CD1 3.71Å; E390-Y419 HydrophobicContact CB-CE1 3.85Å; E390-Y419 HydrophobicContact CB-CG 4.37Å; E390-Y419 HydrophobicContact CG-CD1 3.69Å; E390-Y419 HydrophobicContact CG-CE1 4.35Å; E390-Y419 HydrophobicContact CG-CG 4.08Å; H393-Y419 HydrophobicContact CB-CD2 3.71Å; H393-Y419 HydrophobicContact CB-CE2 4.25Å; H393-Y419 HydrophobicContact CB-CG 4.29Å; H393-Y419 VanDerWaalsContact CD2-CB 3.45Å; H393-Y419 WeakPolarHBondContact CD2-CB 3.35Å; H393-Y419 AromaticContact CG-CD2 3.72Å
420	Q	94.7	Very high	94.5	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.033	30%	0.298	C	S	.	.			trans	-64.9	139.6	-179.7	-47.9	-57.7	-66.2	0	0	111.2	F368 E390 H393 Q415 N418 Y423	F368-Q420 HydrophobicContact CB-CG 4.38Å; F368-Q420 HydrophobicContact CD1-CG 3.93Å; F368-Q420 HydrophobicContact CD2-CG 4.32Å; F368-Q420 HydrophobicContact CE1-CG 4.33Å; F368-Q420 HydrophobicContact CG-CG 3.93Å; E390-Q420 PolarHBondContact OE1-N 3.42Å; H393-Q420 PolarHBondContact NE2-O 3.5Å; Q415-Q420 PolarHBondContact O-NE2 3.34Å; N418-Q420 PolarHBondContact O-NE2 2.71Å; Q420-Y423 HydrophobicContact CB-CD1 4.29Å; Q420-Y423 HydrophobicContact CB-CE1 3.64Å; Q420-Y423 HydrophobicContact CB-CE2 4.06Å; Q420-Y423 HydrophobicContact CG-CE1 3.84Å; Q420-Y423 PolarHBondContact N-OH 3.48Å; Q420-Y423 WeakPolarHBondContact O-CE2 3.44Å
421	S	95.5	Very high	94.5	Very high	88 Å²	88	58.9 Å²	58.9	62%	0.615	31%	0.308	S	S	*	.	S	Bend	trans	-84.7	-21.8	173.4	52.7	0	0	0	0	112.6	E400	E400-S421 PolarHBondContact N-O 2.89Å
422	V	97.5	Very high	94.5	Very high	9 Å²	9	53.3 Å²	53.3	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.6	-178.6	-176.9	0	0	0	0	109.1	F364 E400 R402 F424	F364-V422 WeakPolarHBondContact CE1-O 3.17Å; E400-V422 HydrophobicContact CB-CG2 4.35Å; E400-V422 CarbonylContact O-C 3.49Å; E400-V422 WeakPolarHBondContact O-CA 3.5Å; R402-V422 HydrophobicContact CG-CG1 4.31Å; V422-F424 HydrophobicContact CG1-CE2 4.3Å
423	Y	98.3	Very high	94.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.1	170.7	-63	-81.8	0	0	0	110.4	F368 L370 L384 E390 H393 A394 P399 E400 R401 R402 Q420	F368-Y423 HydrophobicContact CB-CD1 4.12Å; F368-Y423 HydrophobicContact CB-CE1 4.08Å; F368-Y423 HydrophobicContact CD1-CE1 4.14Å; F368-Y423 HydrophobicContact CG-CE1 4.5Å; F368-Y423 WeakPolarHBondContact O-CD1 3.29Å; L370-Y423 HydrophobicContact CD1-CG 4.14Å; L384-Y423 HydrophobicContact CD2-CE1 3.76Å; E390-Y423 WeakPolarHBondContact CG-OH 3.49Å; E390-Y423 PolarHBondContact OE1-OH 3.49Å; H393-Y423 AromaticContact CD2-CE2 3.97Å; H393-Y423 PolarHBondContact CD2-OH 3.41Å; A394-Y423 HydrophobicContact CB-CD1 4.33Å; A394-Y423 HydrophobicContact CB-CD2 4.2Å; A394-Y423 HydrophobicContact CB-CE1 3.9Å; A394-Y423 HydrophobicContact CB-CE2 3.75Å; A394-Y423 HydrophobicContact CB-CG 4.48Å; P399-Y423 HydrophobicContact CB-CD2 3.63Å; P399-Y423 HydrophobicContact CB-CE2 3.57Å; P399-Y423 HydrophobicContact CG-CD2 3.85Å; P399-Y423 HydrophobicContact CG-CE2 3.77Å; E400-Y423 PolarHBondContact O-N 3.26Å; R401-Y423 WeakPolarHBondContact CA-O 3.49Å; R402-Y423 PolarHBondContact N-O 3.45Å; Q420-Y423 HydrophobicContact CB-CD1 4.29Å; Q420-Y423 HydrophobicContact CB-CE1 3.64Å; Q420-Y423 HydrophobicContact CB-CE2 4.06Å; Q420-Y423 HydrophobicContact CG-CE1 3.84Å; Q420-Y423 PolarHBondContact N-OH 3.48Å; Q420-Y423 WeakPolarHBondContact O-CE2 3.44Å
424	F	98.5	Very high	94.5	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.1	173.7	-72.3	-91.3	0	0	0	110.8	F364 L370 R402 E403 F404 A408 A409 Q412 V422	F364-F424 HydrophobicContact CB-CD2 3.65Å; F364-F424 HydrophobicContact CB-CE2 4.24Å; F364-F424 HydrophobicContact CB-CG 4.44Å; F364-F424 AromaticContact CD1-CD2 3.55Å; F364-F424 HydrophobicContact CD1-CD2 3.55Å; F364-F424 AromaticContact CD1-CE2 3.87Å; F364-F424 HydrophobicContact CD1-CE2 3.87Å; F364-F424 HydrophobicContact CD2-CD2 4.27Å; F364-F424 HydrophobicContact CD2-CE2 4.05Å; F364-F424 HydrophobicContact CE1-CD2 4.26Å; F364-F424 HydrophobicContact CE1-CE2 4.2Å; F364-F424 HydrophobicContact CE2-CE2 4.38Å; F364-F424 AromaticContact CG-CD2 3.55Å; F364-F424 HydrophobicContact CG-CD2 3.55Å; F364-F424 AromaticContact CG-CE2 3.78Å; F364-F424 HydrophobicContact CG-CE2 3.78Å; F364-F424 HydrophobicContact CZ-CE2 4.44Å; L370-F424 PolarHBondContact N-O 3.29Å; L370-F424 VanDerWaalsContact N-O 3.14Å; R402-F424 HydrophobicContact CB-CD1 4.05Å; R402-F424 HydrophobicContact CB-CE1 4.07Å; R402-F424 CarbonylContact O-C 3.51Å; R402-F424 WeakPolarHBondContact O-CA 3.31Å; E403-F424 WeakPolarHBondContact O-CD1 3.49Å; F404-F424 HydrophobicContact CB-CB 4.24Å; F404-F424 HydrophobicContact CD2-CB 4.05Å; F404-F424 HydrophobicContact CD2-CG 4.48Å; A408-F424 HydrophobicContact CB-CE1 4.44Å; A409-F424 HydrophobicContact CB-CD1 4.2Å; A409-F424 HydrophobicContact CB-CD2 4.14Å; A409-F424 HydrophobicContact CB-CE1 3.96Å; A409-F424 HydrophobicContact CB-CE2 3.89Å; A409-F424 HydrophobicContact CB-CG 4.26Å; A409-F424 HydrophobicContact CB-CZ 3.79Å; Q412-F424 HydrophobicContact CB-CE2 4.1Å; Q412-F424 HydrophobicContact CB-CZ 4.22Å; Q412-F424 HydrophobicContact CG-CE2 4.03Å; Q412-F424 HydrophobicContact CG-CZ 4.39Å; V422-F424 HydrophobicContact CG1-CE2 4.3Å
425	V	98.6	Very high	94.7	Very high	7 Å²	7	49 Å²	49	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.3	-177	-171.4	0	0	0	0	109.5	L370 K372 V377 R401 R402 F404	L370-V425 HydrophobicContact CB-CB 4.47Å; L370-V425 HydrophobicContact CB-CG1 4.45Å; L370-V425 HydrophobicContact CB-CG2 4.05Å; L370-V425 HydrophobicContact CD1-CG2 4.23Å; L370-V425 CarbonylContact O-C 3.5Å; L370-V425 VanDerWaalsContact O-CA 3.3Å; L370-V425 WeakPolarHBondContact O-CA 3.07Å; K372-V425 HydrophobicContact CD-CG1 4.42Å; K372-V425 HydrophobicContact CG-CG1 3.7Å; V377-V425 HydrophobicContact CG1-CG1 4.33Å; V377-V425 HydrophobicContact CG1-CG2 4.37Å; V377-V425 HydrophobicContact CG2-CG1 4.37Å; R401-V425 HydrophobicContact CB-CG2 3.96Å; R401-V425 HydrophobicContact CG-CG2 4.42Å; R402-V425 PolarHBondContact O-N 3.24Å; F404-V425 PolarHBondContact N-O 2.67Å
426	S	98.1	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	140.3	173	-63.1	0	0	0	0	111.1	L370 C371 K372 S428	L370-S426 PolarHBondContact O-N 2.99Å; C371-S426 CarbonylContact C-O 3.6Å; C371-S426 VanDerWaalsContact CA-O 3.24Å; C371-S426 WeakPolarHBondContact CA-O 3Å; K372-S426 PolarHBondContact N-O 2.69Å; S426-S428 VanDerWaalsContact C-N 3.32Å
427	E	97.3	Very high	95.6	Very high	76 Å²	76	48.7 Å²	48.7	36%	0.355	24%	0.244	S	C	.	.	S	Bend	trans	-66.7	-37.4	174.7	-69.5	-59.2	135.1	0	0	111.6	K372 D431	K372-E427 WeakPolarHBondContact CD-OE1 3.34Å; K372-E427 WeakPolarHBondContact CE-OE1 3.27Å; K372-E427 IonicContact NZ-OE1 3.26Å; K372-E427 PolarHBondContact NZ-OE1 3.44Å; K372-E427 IonicContact NZ-OE2 2.73Å; E427-D431 HydrophobicContact CB-CB 4.09Å
428	S	96	Very high	96.2	Very high	52 Å²	52	45.5 Å²	45.5	36%	0.364	24%	0.239	S	C	.	.			trans	-162.1	167.4	171	63.5	0	0	0	0	109.4	S426 T430 D431 A432	S426-S428 VanDerWaalsContact C-N 3.32Å; S428-T430 PolarHBondContact O-N 3.05Å; S428-T430 PolarHBondContact OG-N 2.88Å; S428-D431 PolarHBondContact O-N 3.13Å; S428-D431 PolarHBondContact OG-N 3.37Å; S428-D431 VanDerWaalsContact OG-N 3.09Å; S428-A432 PolarHBondContact O-N 2.76Å
429	F	95.9	Very high	96.6	Very high	12 Å²	12	41.5 Å²	41.5	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-31.6	172.4	-61	-29.2	0	0	0	112.7	E242 I330 V335 F336 C371 Y380 K433	E242-F429 HydrophobicContact CB-CE2 3.9Å; E242-F429 HydrophobicContact CG-CD2 4.19Å; E242-F429 HydrophobicContact CG-CE2 3.68Å; I330-F429 HydrophobicContact CD1-CZ 4.35Å; V335-F429 HydrophobicContact CB-CB 4.13Å; V335-F429 HydrophobicContact CG1-CB 3.69Å; F336-F429 HydrophobicContact CB-CD2 4.41Å; F336-F429 HydrophobicContact CD2-CD1 4.3Å; F336-F429 HydrophobicContact CD2-CE1 4.22Å; F336-F429 HydrophobicContact CD2-CZ 4.36Å; C371-F429 HydrophobicContact CB-CE1 4.38Å; Y380-F429 AromaticContact CD1-CE1 3.64Å; Y380-F429 HydrophobicContact CD1-CE1 3.64Å; Y380-F429 HydrophobicContact CD1-CZ 4.35Å; Y380-F429 AromaticContact CD2-CE1 3.91Å; Y380-F429 HydrophobicContact CD2-CE1 3.91Å; Y380-F429 HydrophobicContact CD2-CZ 4.41Å; Y380-F429 HydrophobicContact CE1-CE1 4.03Å; Y380-F429 HydrophobicContact CE2-CE1 4.31Å; Y380-F429 AromaticContact CG-CE1 3.55Å; Y380-F429 HydrophobicContact CG-CE1 3.55Å; Y380-F429 AromaticContact CG-CZ 3.95Å; Y380-F429 HydrophobicContact CG-CZ 3.95Å; F429-K433 VanDerWaalsContact O-CB 3.25Å; F429-K433 WeakPolarHBondContact O-CB 3.47Å; F429-K433 PolarHBondContact O-N 2.95Å
430	T	96.2	Very high	96.7	Very high	74 Å²	74	37.4 Å²	37.4	45%	0.454	20%	0.202	S	C	.	.	H	α-helix	trans	-66.3	-44.9	175.2	-60.5	0	0	0	0	111.1	S428 K433 E434	S428-T430 PolarHBondContact O-N 3.05Å; S428-T430 PolarHBondContact OG-N 2.88Å; T430-K433 PolarHBondContact O-N 3.36Å; T430-E434 WeakPolarHBondContact O-CG 3.4Å; T430-E434 PolarHBondContact O-N 3.08Å
431	D	96.4	Very high	96.6	Very high	46 Å²	46	41.3 Å²	41.3	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-50.7	175.4	177.9	64.6	0	0	0	111.2	E427 S428 K433 E434 K435	E427-D431 HydrophobicContact CB-CB 4.09Å; S428-D431 PolarHBondContact O-N 3.13Å; S428-D431 PolarHBondContact OG-N 3.37Å; S428-D431 VanDerWaalsContact OG-N 3.09Å; D431-K433 VanDerWaalsContact C-N 3.28Å; D431-K433 PolarHBondContact O-N 2.89Å; D431-E434 PolarHBondContact O-N 2.87Å; D431-K435 WeakPolarHBondContact O-CB 3.49Å; D431-K435 WeakPolarHBondContact O-CG 3.47Å; D431-K435 PolarHBondContact O-N 3.48Å; D431-K435 WeakPolarHBondContact OD1-CE 3.43Å; D431-K435 IonicContact OD1-NZ 3.72Å; D431-K435 VanDerWaalsContact OD2-CE 3.25Å; D431-K435 WeakPolarHBondContact OD2-CE 3.32Å; D431-K435 IonicContact OD2-NZ 3.47Å; D431-K435 PolarHBondContact OD2-NZ 3.45Å
432	A	97.3	Very high	96.4	Very high	2 Å²	2	40 Å²	40	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-41.9	177.7	0	0	0	0	0	112.2	F339 F404 S428 L436	F339-A432 HydrophobicContact CD2-CB 4.31Å; F339-A432 HydrophobicContact CE2-CB 4.11Å; F404-A432 HydrophobicContact CD1-CB 4.01Å; F404-A432 HydrophobicContact CE1-CB 4.03Å; S428-A432 PolarHBondContact O-N 2.76Å; A432-L436 VanDerWaalsContact O-CB 3.26Å; A432-L436 WeakPolarHBondContact O-CB 3.28Å; A432-L436 PolarHBondContact O-N 3.24Å
433	K	96.9	Very high	96.1	Very high	25 Å²	25	40.4 Å²	40.4	11%	0.109	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-45.7	177	-172.3	-172.1	73.7	-176.1	0	112.6	V335 Q338 F339 F429 T430 D431 L436 R437	V335-K433 HydrophobicContact CG1-CD 4.37Å; Q338-K433 HydrophobicContact CB-CD 3.99Å; F339-K433 HydrophobicContact CB-CB 4.46Å; F339-K433 HydrophobicContact CD2-CB 4.32Å; F429-K433 VanDerWaalsContact O-CB 3.25Å; F429-K433 WeakPolarHBondContact O-CB 3.47Å; F429-K433 PolarHBondContact O-N 2.95Å; T430-K433 PolarHBondContact O-N 3.36Å; D431-K433 VanDerWaalsContact C-N 3.28Å; D431-K433 PolarHBondContact O-N 2.89Å; K433-L436 PolarHBondContact O-N 2.72Å; K433-R437 WeakPolarHBondContact O-CB 3.19Å; K433-R437 VanDerWaalsContact O-CG 3.23Å; K433-R437 WeakPolarHBondContact O-CG 3.34Å; K433-R437 PolarHBondContact O-N 2.76Å
434	E	97.1	Very high	95.6	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-72	-37.6	-179.2	-64.9	-53.6	131.5	0	0	112.2	T430 D431 R437 S438	T430-E434 WeakPolarHBondContact O-CG 3.4Å; T430-E434 PolarHBondContact O-N 3.08Å; D431-E434 PolarHBondContact O-N 2.87Å; E434-R437 PolarHBondContact O-N 2.83Å; E434-R437 IonicContact OE1-CZ 4Å; E434-R437 IonicContact OE1-NH1 2.99Å; E434-R437 PolarHBondContact OE1-NH1 3.19Å; E434-R437 IonicContact OE2-CZ 3.91Å; E434-R437 IonicContact OE2-NH1 3.34Å; E434-R437 PolarHBondContact OE2-NH1 3.29Å; E434-S438 PolarHBondContact O-N 2.7Å; E434-S438 PolarHBondContact O-OG 3.44Å
435	K	97.9	Very high	95	Very high	46 Å²	46	52 Å²	52	20%	0.2	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-49	170.5	-74.7	177.6	173.8	169.6	0	111.2	E403 F404 P406 D431 R437 S438 Y439	E403-K435 IonicContact OE1-NZ 3.87Å; E403-K435 PolarHBondContact OE1-NZ 3.2Å; F404-K435 HydrophobicContact CD1-CD 4.39Å; F404-K435 HydrophobicContact CE1-CB 4.46Å; F404-K435 WeakPolarHBondContact O-CD 3.32Å; F404-K435 PolarHBondContact O-NZ 2.84Å; P406-K435 HydrophobicContact CG-CB 3.84Å; D431-K435 WeakPolarHBondContact O-CB 3.49Å; D431-K435 WeakPolarHBondContact O-CG 3.47Å; D431-K435 PolarHBondContact O-N 3.48Å; D431-K435 WeakPolarHBondContact OD1-CE 3.43Å; D431-K435 IonicContact OD1-NZ 3.72Å; D431-K435 VanDerWaalsContact OD2-CE 3.25Å; D431-K435 WeakPolarHBondContact OD2-CE 3.32Å; D431-K435 IonicContact OD2-NZ 3.47Å; D431-K435 PolarHBondContact OD2-NZ 3.45Å; K435-R437 PolarHBondContact O-N 3.21Å; K435-S438 WeakPolarHBondContact O-CB 3.33Å; K435-S438 PolarHBondContact O-N 2.78Å; K435-Y439 PolarHBondContact O-N 3.45Å
436	L	96.6	Very high	94.2	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-44.3	176.6	178.3	70	0	0	0	112	F339 N342 I343 L361 A432 K433 S438 Y439 V440	F339-L436 HydrophobicContact CD2-CB 4.36Å; F339-L436 HydrophobicContact CD2-CD2 3.76Å; F339-L436 HydrophobicContact CE2-CB 3.89Å; F339-L436 HydrophobicContact CE2-CD2 3.52Å; F339-L436 HydrophobicContact CE2-CG 4.24Å; F339-L436 HydrophobicContact CG-CD2 4.39Å; F339-L436 HydrophobicContact CZ-CD2 3.98Å; N342-L436 HydrophobicContact CB-CD2 4.15Å; I343-L436 HydrophobicContact CD1-CD2 4.25Å; I343-L436 HydrophobicContact CG1-CD1 4.34Å; I343-L436 HydrophobicContact CG1-CD2 3.43Å; I343-L436 VanDerWaalsContact CG1-CD2 3.43Å; L361-L436 HydrophobicContact CD1-CD1 4.02Å; A432-L436 VanDerWaalsContact O-CB 3.26Å; A432-L436 WeakPolarHBondContact O-CB 3.28Å; A432-L436 PolarHBondContact O-N 3.24Å; K433-L436 PolarHBondContact O-N 2.72Å; L436-S438 VanDerWaalsContact C-N 3.26Å; L436-S438 PolarHBondContact O-N 3.36Å; L436-Y439 WeakPolarHBondContact O-CB 3.25Å; L436-Y439 PolarHBondContact O-N 3.29Å; L436-V440 HydrophobicContact CD1-CG2 4Å; L436-V440 HydrophobicContact CG-CG2 4.14Å; L436-V440 WeakPolarHBondContact O-CB 3.35Å; L436-V440 VanDerWaalsContact O-CG2 3.28Å; L436-V440 WeakPolarHBondContact O-CG2 3.13Å; L436-V440 PolarHBondContact O-N 2.9Å
437	R	94.5	Very high	93.8	Very high	132 Å²	132	56.9 Å²	56.9	50%	0.498	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-39.4	177.7	-76.8	174.6	72	-174.7	4.1	112	K433 E434 K435 A441	K433-R437 WeakPolarHBondContact O-CB 3.19Å; K433-R437 VanDerWaalsContact O-CG 3.23Å; K433-R437 WeakPolarHBondContact O-CG 3.34Å; K433-R437 PolarHBondContact O-N 2.76Å; E434-R437 PolarHBondContact O-N 2.83Å; E434-R437 IonicContact OE1-CZ 4Å; E434-R437 IonicContact OE1-NH1 2.99Å; E434-R437 PolarHBondContact OE1-NH1 3.19Å; E434-R437 IonicContact OE2-CZ 3.91Å; E434-R437 IonicContact OE2-NH1 3.34Å; E434-R437 PolarHBondContact OE2-NH1 3.29Å; K435-R437 PolarHBondContact O-N 3.21Å; R437-A441 PolarHBondContact O-N 2.8Å; R437-A441 VanDerWaalsContact O-N 3.11Å
438	S	96.3	Very high	93.6	Very high	87 Å²	87	56.7 Å²	56.7	61%	0.608	32%	0.323	S	S	*	.	H	α-helix	trans	-65.4	-44.6	176.9	-56.7	0	0	0	0	111.3	E434 K435 L436 A441	E434-S438 PolarHBondContact O-N 2.7Å; E434-S438 PolarHBondContact O-OG 3.44Å; K435-S438 WeakPolarHBondContact O-CB 3.33Å; K435-S438 PolarHBondContact O-N 2.78Å; L436-S438 VanDerWaalsContact C-N 3.26Å; L436-S438 PolarHBondContact O-N 3.36Å; S438-A441 WeakPolarHBondContact O-CB 3.28Å; S438-A441 PolarHBondContact O-N 3.25Å
439	Y	96.6	Very high	93.5	Very high	24 Å²	24	55.2 Å²	55.2	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-49.4	174.2	176.7	-92.1	0	0	0	112.3	L361 P406 E407 A410 K435 L436 A441 G442 I443	L361-Y439 HydrophobicContact CD1-CD1 3.69Å; L361-Y439 HydrophobicContact CD1-CE1 3.43Å; L361-Y439 VanDerWaalsContact CD1-CE1 3.43Å; L361-Y439 HydrophobicContact CD1-CG 4.49Å; P406-Y439 HydrophobicContact CB-CD1 4.43Å; P406-Y439 HydrophobicContact CB-CD2 3.77Å; P406-Y439 HydrophobicContact CB-CG 3.68Å; E407-Y439 HydrophobicContact CG-CD2 4.15Å; E407-Y439 HydrophobicContact CG-CE2 4.48Å; E407-Y439 WeakPolarHBondContact OE1-CD2 3.15Å; A410-Y439 HydrophobicContact CB-CE2 4.18Å; A410-Y439 WeakPolarHBondContact CB-OH 3.5Å; K435-Y439 PolarHBondContact O-N 3.45Å; L436-Y439 WeakPolarHBondContact O-CB 3.25Å; L436-Y439 PolarHBondContact O-N 3.29Å; Y439-A441 PolarHBondContact O-N 3.26Å; Y439-G442 PolarHBondContact O-N 3.42Å; Y439-I443 HydrophobicContact CE1-CD1 4.47Å
440	V	94.2	Very high	93.4	Very high	22 Å²	22	57.8 Å²	57.8	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-28.5	-178.6	168.8	0	0	0	0	112.3	A346 L358 L436 G442 I443	A346-V440 HydrophobicContact CB-CB 4.22Å; A346-V440 HydrophobicContact CB-CG1 3.49Å; A346-V440 VanDerWaalsContact CB-CG1 3.49Å; A346-V440 HydrophobicContact CB-CG2 3.61Å; L358-V440 HydrophobicContact CD2-CG2 4.42Å; L436-V440 HydrophobicContact CD1-CG2 4Å; L436-V440 HydrophobicContact CG-CG2 4.14Å; L436-V440 WeakPolarHBondContact O-CB 3.35Å; L436-V440 VanDerWaalsContact O-CG2 3.28Å; L436-V440 WeakPolarHBondContact O-CG2 3.13Å; L436-V440 PolarHBondContact O-N 2.9Å; V440-G442 PolarHBondContact O-N 3.31Å; V440-I443 HydrophobicContact CB-CD1 4.42Å; V440-I443 HydrophobicContact CG1-CD1 4.38Å; V440-I443 HydrophobicContact CG2-CD1 4.26Å; V440-I443 WeakPolarHBondContact O-CB 3.22Å; V440-I443 PolarHBondContact O-N 2.81Å; V440-I443 VanDerWaalsContact O-N 3.11Å
441	A	92.5	Very high	93.4	Very high	88 Å²	88	55.2 Å²	55.2	73%	0.727	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.6	174.3	0	0	0	0	0	113.1	R437 S438 Y439	R437-A441 PolarHBondContact O-N 2.8Å; R437-A441 VanDerWaalsContact O-N 3.11Å; S438-A441 WeakPolarHBondContact O-CB 3.28Å; S438-A441 PolarHBondContact O-N 3.25Å; Y439-A441 PolarHBondContact O-N 3.26Å
442	G	92	Very high	93.3	Very high	60 Å²	60	54 Å²	54	62%	0.619	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.1	174.3	0	0	0	0	0	114.9	Y439 V440 K444	Y439-G442 PolarHBondContact O-N 3.42Å; V440-G442 PolarHBondContact O-N 3.31Å; G442-K444 PolarHBondContact O-N 2.81Å
443	I	91.4	Very high	93.1	Very high	18 Å²	18	57.1 Å²	57.1	9%	0.092	32%	0.317	C	S	.	.	S	Bend	trans	-70.3	118.1	-178	-63	176.2	0	0	0	109.9	A346 D354 L358 Y439 V440 R445	A346-I443 HydrophobicContact CB-CD1 4.18Å; D354-I443 HydrophobicContact CB-CG2 4.26Å; L358-I443 HydrophobicContact CD1-CD1 4.21Å; L358-I443 HydrophobicContact CD2-CD1 4.13Å; L358-I443 HydrophobicContact CG-CD1 4.32Å; Y439-I443 HydrophobicContact CE1-CD1 4.47Å; V440-I443 HydrophobicContact CB-CD1 4.42Å; V440-I443 HydrophobicContact CG1-CD1 4.38Å; V440-I443 HydrophobicContact CG2-CD1 4.26Å; V440-I443 WeakPolarHBondContact O-CB 3.22Å; V440-I443 PolarHBondContact O-N 2.81Å; V440-I443 VanDerWaalsContact O-N 3.11Å; I443-R445 HydrophobicContact CG2-CG 4.31Å; I443-R445 PolarHBondContact O-N 3.04Å
444	K	86.4	Confident	92.8	Very high	193 Å²	193	65.3 Å²	65.3	84%	0.839	35%	0.349	S	S	*	.			trans	-75.1	110.3	-176.4	-67.4	-177.6	-177.3	174.2	0	111.3	G442	G442-K444 PolarHBondContact O-N 2.81Å
445	R	86.3	Confident	92.7	Very high	52 Å²	52	65.8 Å²	65.8	20%	0.196	36%	0.357	C	S	.	.			trans	-134	149	170.6	-67.7	178.5	-67.8	176	-4.5	110.2	L345 A346 L348 I443 F447	L345-R445 PolarHBondContact O-NH1 3.13Å; A346-R445 PolarHBondContact O-NH1 3.06Å; L348-R445 VanDerWaalsContact O-CD 3.31Å; L348-R445 WeakPolarHBondContact O-CD 3.49Å; L348-R445 PolarHBondContact O-NH1 3.09Å; I443-R445 HydrophobicContact CG2-CG 4.31Å; I443-R445 PolarHBondContact O-N 3.04Å; R445-F447 WeakPolarHBondContact CB-O 3.34Å; R445-F447 PolarHBondContact O-N 3.32Å; R445-F447 VanDerWaalsContact O-N 3.12Å
446	P	82.9	Confident	92.5	Very high	93 Å²	93	68.3 Å²	68.3	60%	0.604	37%	0.366	S	S	*	.	S	Bend	trans	-74	3.1	179.2	27.7	-29.7	0	0	0	113.7
447	F	89.4	Confident	92.5	Very high	17 Å²	17	69.4 Å²	69.4	8%	0.075	37%	0.374	C	S	.	.	S	Bend	trans	-154.5	165.5	-179.8	49.6	-96.1	0	0	0	110.1	F155 F158 R445 V449 V460 D462	F155-F447 HydrophobicContact CB-CE1 3.69Å; F155-F447 HydrophobicContact CB-CZ 3.79Å; F155-F447 HydrophobicContact CD1-CD1 4.27Å; F155-F447 AromaticContact CD1-CE1 3.33Å; F155-F447 HydrophobicContact CD1-CE1 3.33Å; F155-F447 HydrophobicContact CD1-CZ 4.03Å; F155-F447 AromaticContact CD2-CE1 3.87Å; F155-F447 HydrophobicContact CD2-CE1 3.87Å; F155-F447 AromaticContact CD2-CZ 3.68Å; F155-F447 HydrophobicContact CD2-CZ 3.68Å; F155-F447 HydrophobicContact CE1-CD1 4.48Å; F155-F447 AromaticContact CE1-CE1 3.8Å; F155-F447 HydrophobicContact CE1-CE1 3.8Å; F155-F447 HydrophobicContact CE1-CZ 4.49Å; F155-F447 HydrophobicContact CE2-CE1 4.31Å; F155-F447 HydrophobicContact CE2-CZ 4.21Å; F155-F447 AromaticContact CG-CE1 3.35Å; F155-F447 HydrophobicContact CG-CE1 3.35Å; F155-F447 AromaticContact CG-CZ 3.56Å; F155-F447 HydrophobicContact CG-CZ 3.56Å; F155-F447 HydrophobicContact CZ-CE1 4.26Å; F158-F447 AromaticContact CE1-CE2 3.86Å; F158-F447 HydrophobicContact CE1-CE2 3.86Å; F158-F447 AromaticContact CE1-CZ 3.72Å; F158-F447 HydrophobicContact CE1-CZ 3.72Å; F158-F447 HydrophobicContact CZ-CE2 4.07Å; F158-F447 HydrophobicContact CZ-CZ 4.31Å; R445-F447 WeakPolarHBondContact CB-O 3.34Å; R445-F447 PolarHBondContact O-N 3.32Å; R445-F447 VanDerWaalsContact O-N 3.12Å; F447-V449 HydrophobicContact CD2-CG1 3.89Å; F447-V449 HydrophobicContact CE2-CG1 3.93Å; F447-V460 HydrophobicContact CB-CG1 3.81Å; F447-V460 HydrophobicContact CD1-CG1 4.14Å; F447-V460 HydrophobicContact CD2-CG1 3.78Å; F447-V460 HydrophobicContact CE2-CG1 4.46Å; F447-V460 HydrophobicContact CG-CG1 3.61Å; F447-D462 HydrophobicContact CB-CB 3.93Å
448	S	91.8	Very high	92.5	Very high	72 Å²	72	63.6 Å²	63.6	50%	0.503	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	165	162.2	-67.5	0	0	0	0	110.5	L461	S448-L461 PolarHBondContact N-O 2.87Å; S448-L461 VanDerWaalsContact N-O 3.14Å; S448-L461 WeakPolarHBondContact O-CA 3.47Å; S448-L461 PolarHBondContact O-N 3.25Å
449	V	94.2	Very high	92.3	Very high	22 Å²	22	62.9 Å²	62.9	13%	0.133	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.1	176.8	-67.3	0	0	0	0	110.7	F158 L345 L348 F447 I458 E459	F158-V449 HydrophobicContact CZ-CG1 4.27Å; L345-V449 HydrophobicContact CB-CG2 4.35Å; L345-V449 HydrophobicContact CD2-CG2 4.11Å; L345-V449 WeakPolarHBondContact O-CG2 3.27Å; L348-V449 HydrophobicContact CB-CG1 4.48Å; L348-V449 HydrophobicContact CB-CG2 4.47Å; L348-V449 HydrophobicContact CD1-CG2 4.29Å; F447-V449 HydrophobicContact CD2-CG1 3.89Å; F447-V449 HydrophobicContact CE2-CG1 3.93Å; V449-I458 HydrophobicContact CB-CG2 3.81Å; V449-I458 HydrophobicContact CG1-CG2 3.9Å; V449-E459 CarbonylContact C-O 3.6Å; V449-E459 WeakPolarHBondContact CA-O 3.25Å
450	R	93.8	Very high	92.1	Very high	66 Å²	66	62.4 Å²	62.4	25%	0.249	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136	171.7	174.5	179.5	173.6	172.6	-5.1	108.9	I458 E459 L461 G470 S473	R450-I458 WeakPolarHBondContact O-CA 3.49Å; R450-E459 HydrophobicContact CB-CB 4.41Å; R450-E459 PolarHBondContact N-O 3Å; R450-E459 PolarHBondContact O-N 3.36Å; R450-L461 HydrophobicContact CB-CD1 4.12Å; R450-L461 HydrophobicContact CB-CG 4.49Å; R450-G470 VanDerWaalsContact NH1-C 3.33Å; R450-G470 PolarHBondContact NH1-O 3.05Å; R450-S473 PolarHBondContact NH2-OG 3.08Å
451	F	96.1	Very high	91.9	Very high	20 Å²	20	62.9 Å²	62.9	9%	0.088	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.7	168.5	176.7	-110.1	0	0	0	109.8	F297 L345 P453 Y456 I458	F297-F451 HydrophobicContact CB-CE2 4.45Å; F297-F451 HydrophobicContact CD1-CD2 4.41Å; F297-F451 AromaticContact CD1-CE2 4Å; F297-F451 HydrophobicContact CD1-CE2 4Å; L345-F451 HydrophobicContact CD2-CB 4.19Å; F451-P453 HydrophobicContact CD1-CB 4.38Å; F451-P453 HydrophobicContact CE1-CB 3.89Å; F451-Y456 HydrophobicContact CZ-CD1 4.11Å; F451-I458 HydrophobicContact CB-CD1 4.12Å; F451-I458 HydrophobicContact CD2-CD1 3.99Å
452	D	94.1	Very high	91.6	Very high	21 Å²	21	62.7 Å²	62.7	11%	0.112	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109.4	169.3	174.2	18.3	0	0	0	109.8	Y454 T455 Y456 S457 E459	D452-Y454 PolarHBondContact O-N 3.37Å; D452-Y454 WeakPolarHBondContact OD1-CB 3.41Å; D452-Y454 WeakPolarHBondContact OD1-CD2 3.38Å; D452-Y454 PolarHBondContact OD1-N 3.21Å; D452-T455 VanDerWaalsContact OD2-CB 3.3Å; D452-T455 WeakPolarHBondContact OD2-CB 3.34Å; D452-T455 WeakPolarHBondContact OD2-CG2 3.39Å; D452-T455 PolarHBondContact OD2-N 2.78Å; D452-T455 PolarHBondContact OD2-OG1 3.28Å; D452-Y456 WeakPolarHBondContact O-CA 3.49Å; D452-Y456 PolarHBondContact O-N 3.21Å; D452-S457 PolarHBondContact N-O 2.86Å; D452-S457 PolarHBondContact O-N 2.77Å; D452-E459 HydrophobicContact CB-CG 4.44Å
453	P	93.4	Very high	91.3	Very high	67 Å²	67	62.2 Å²	62.2	44%	0.435	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.4	-179.9	30.5	-35.9	0	0	0	113.6	F451	F451-P453 HydrophobicContact CD1-CB 4.38Å; F451-P453 HydrophobicContact CE1-CB 3.89Å
454	Y	92.2	Very high	91.2	Very high	197 Å²	197	66.1 Å²	66.1	77%	0.773	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-40.5	178.9	-67.3	-79	0	0	0	111.8	D452	D452-Y454 PolarHBondContact O-N 3.37Å; D452-Y454 WeakPolarHBondContact OD1-CB 3.41Å; D452-Y454 WeakPolarHBondContact OD1-CD2 3.38Å; D452-Y454 PolarHBondContact OD1-N 3.21Å
455	T	93.3	Very high	91.3	Very high	84 Å²	84	63 Å²	63	52%	0.515	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-3.9	-178.9	63.9	0	0	0	0	113.8	D452 S457	D452-T455 VanDerWaalsContact OD2-CB 3.3Å; D452-T455 WeakPolarHBondContact OD2-CB 3.34Å; D452-T455 WeakPolarHBondContact OD2-CG2 3.39Å; D452-T455 PolarHBondContact OD2-N 2.78Å; D452-T455 PolarHBondContact OD2-OG1 3.28Å; T455-S457 VanDerWaalsContact C-N 3.27Å; T455-S457 PolarHBondContact O-N 3.06Å; T455-S457 WeakPolarHBondContact OG1-CB 3.36Å; T455-S457 PolarHBondContact OG1-OG 3.09Å
456	Y	94.5	Very high	91.3	Very high	99 Å²	99	64.7 Å²	64.7	39%	0.388	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	47.3	-173.3	-63.6	-90.9	0	0	0	111.9	I162 F451 D452	I162-Y456 HydrophobicContact CD1-CD1 3.96Å; I162-Y456 HydrophobicContact CD1-CG 4.42Å; I162-Y456 PolarHBondContact N-O 3.34Å; I162-Y456 VanDerWaalsContact N-O 3.08Å; F451-Y456 HydrophobicContact CZ-CD1 4.11Å; D452-Y456 WeakPolarHBondContact O-CA 3.49Å; D452-Y456 PolarHBondContact O-N 3.21Å
457	S	95.5	Very high	91.7	Very high	24 Å²	24	63.9 Å²	63.9	17%	0.168	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.7	-174.6	79.1	0	0	0	0	112.9	K160 D452 T455	K160-S457 CarbonylContact O-C 3.15Å; K160-S457 VanDerWaalsContact O-CA 3.29Å; K160-S457 WeakPolarHBondContact O-CA 3.47Å; K160-S457 WeakPolarHBondContact O-CB 3.26Å; D452-S457 PolarHBondContact N-O 2.86Å; D452-S457 PolarHBondContact O-N 2.77Å; T455-S457 VanDerWaalsContact C-N 3.27Å; T455-S457 PolarHBondContact O-N 3.06Å; T455-S457 WeakPolarHBondContact OG1-CB 3.36Å; T455-S457 PolarHBondContact OG1-OG 3.09Å
458	I	95.8	Very high	91.8	Very high	9 Å²	9	70.2 Å²	70.2	5%	0.046	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.5	174.9	-58.9	-65.6	0	0	0	109.1	F158 K160 A296 F297 L345 L348 V449 R450 F451	F158-I458 HydrophobicContact CE2-CG2 3.99Å; K160-I458 PolarHBondContact O-N 2.76Å; A296-I458 HydrophobicContact CB-CD1 4.27Å; F297-I458 HydrophobicContact CE1-CD1 4.36Å; F297-I458 HydrophobicContact CE1-CG1 3.76Å; F297-I458 HydrophobicContact CE2-CD1 4.48Å; F297-I458 HydrophobicContact CE2-CG1 3.93Å; F297-I458 HydrophobicContact CZ-CB 4.48Å; F297-I458 HydrophobicContact CZ-CD1 4.21Å; F297-I458 HydrophobicContact CZ-CG1 3.37Å; L345-I458 HydrophobicContact CD2-CD1 3.86Å; L348-I458 HydrophobicContact CD1-CB 4.32Å; L348-I458 HydrophobicContact CD1-CD1 3.65Å; L348-I458 HydrophobicContact CD1-CG1 3.69Å; L348-I458 HydrophobicContact CD1-CG2 3.78Å; V449-I458 HydrophobicContact CB-CG2 3.81Å; V449-I458 HydrophobicContact CG1-CG2 3.9Å; R450-I458 WeakPolarHBondContact O-CA 3.49Å; F451-I458 HydrophobicContact CB-CD1 4.12Å; F451-I458 HydrophobicContact CD2-CD1 3.99Å
459	E	92	Very high	91.5	Very high	72 Å²	72	68.6 Å²	68.6	34%	0.336	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.8	169.5	-61.9	-175.7	164.5	0	0	109.8	V449 R450 D452 L461	V449-E459 CarbonylContact C-O 3.6Å; V449-E459 WeakPolarHBondContact CA-O 3.25Å; R450-E459 HydrophobicContact CB-CB 4.41Å; R450-E459 PolarHBondContact N-O 3Å; R450-E459 PolarHBondContact O-N 3.36Å; D452-E459 HydrophobicContact CB-CG 4.44Å; E459-L461 HydrophobicContact CB-CD2 4.41Å
460	V	91.5	Very high	91.1	Very high	14 Å²	14	67.9 Å²	67.9	9%	0.085	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	108.2	174.7	-176.8	0	0	0	0	109.1	F158 F447 D462 K466	F158-V460 HydrophobicContact CE2-CG2 4.18Å; F158-V460 HydrophobicContact CZ-CG2 3.73Å; F447-V460 HydrophobicContact CB-CG1 3.81Å; F447-V460 HydrophobicContact CD1-CG1 4.14Å; F447-V460 HydrophobicContact CD2-CG1 3.78Å; F447-V460 HydrophobicContact CE2-CG1 4.46Å; F447-V460 HydrophobicContact CG-CG1 3.61Å; V460-D462 HydrophobicContact CG1-CB 4.2Å; V460-D462 PolarHBondContact O-N 3.05Å; V460-K466 WeakPolarHBondContact O-CD 3.43Å; V460-K466 PolarHBondContact O-NZ 3.06Å
461	L	91	Very high	91.1	Very high	33 Å²	33	70 Å²	70	17%	0.173	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	80.3	179.7	-53.1	-178.1	0	0	0	109.7	S448 R450 E459 K466 I467	S448-L461 PolarHBondContact N-O 2.87Å; S448-L461 VanDerWaalsContact N-O 3.14Å; S448-L461 WeakPolarHBondContact O-CA 3.47Å; S448-L461 PolarHBondContact O-N 3.25Å; R450-L461 HydrophobicContact CB-CD1 4.12Å; R450-L461 HydrophobicContact CB-CG 4.49Å; E459-L461 HydrophobicContact CB-CD2 4.41Å; L461-K466 HydrophobicContact CD2-CB 4.18Å; L461-I467 HydrophobicContact CB-CG1 4.12Å
462	D	85.3	Confident	90.9	Very high	83 Å²	83	74.2 Å²	74.2	44%	0.444	38%	0.379	S	S	.	.			trans	-107.3	-3.6	-177	56	15.7	0	0	0	113.6	F447 V460 K466	F447-D462 HydrophobicContact CB-CB 3.93Å; V460-D462 HydrophobicContact CG1-CB 4.2Å; V460-D462 PolarHBondContact O-N 3.05Å; D462-K466 WeakPolarHBondContact OD1-CD 3.49Å; D462-K466 WeakPolarHBondContact OD1-CE 3.39Å; D462-K466 IonicContact OD1-NZ 3.09Å; D462-K466 PolarHBondContact OD1-NZ 3.32Å; D462-K466 IonicContact OD2-NZ 3.99Å; D462-K466 PolarHBondContact OD2-NZ 3.1Å
463	N	85.7	Confident	90.5	Very high	51 Å²	51	75.1 Å²	75.1	27%	0.273	39%	0.386	S	S	.	.	S	Bend	trans	-154.1	160.1	179.9	73.1	77.7	0	0	0	112.8	L465 K466 I467	N463-L465 VanDerWaalsContact C-N 3.28Å; N463-L465 PolarHBondContact O-N 3.25Å; N463-L465 WeakPolarHBondContact OD1-CA 3.35Å; N463-L465 VanDerWaalsContact OD1-CB 3.28Å; N463-L465 WeakPolarHBondContact OD1-CB 3.48Å; N463-L465 PolarHBondContact OD1-N 3.08Å; N463-K466 PolarHBondContact O-N 2.84Å; N463-K466 PolarHBondContact OD1-N 3.07Å; N463-I467 WeakPolarHBondContact O-CG1 3.46Å; N463-I467 PolarHBondContact O-N 2.72Å
464	P	90.3	Very high	90.5	Very high	100 Å²	100	75.4 Å²	75.4	65%	0.649	39%	0.387	S	S	*	.	H	α-helix	trans	-59.6	-28.6	-176.8	-27.3	36.2	0	0	0	115.8	R468	P464-R468 WeakPolarHBondContact O-CB 3.43Å; P464-R468 PolarHBondContact O-N 3.4Å
465	L	87.9	Confident	90.6	Very high	127 Å²	127	73.2 Å²	73.2	67%	0.665	38%	0.381	S	S	*	.	H	α-helix	trans	-69.3	-43.5	-180	-62.9	172.1	0	0	0	111.1	N463 R468 G469	N463-L465 VanDerWaalsContact C-N 3.28Å; N463-L465 PolarHBondContact O-N 3.25Å; N463-L465 WeakPolarHBondContact OD1-CA 3.35Å; N463-L465 VanDerWaalsContact OD1-CB 3.28Å; N463-L465 WeakPolarHBondContact OD1-CB 3.48Å; N463-L465 PolarHBondContact OD1-N 3.08Å; L465-R468 PolarHBondContact O-N 3.14Å; L465-G469 PolarHBondContact O-N 3.42Å; L465-G469 VanDerWaalsContact O-N 3.15Å
466	K	86.1	Confident	90.7	Very high	88 Å²	88	74.6 Å²	74.6	38%	0.383	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-39.9	176.1	-67.7	-176.7	-174.5	165.2	0	111.9	V460 L461 D462 N463 R468 G469 G470	V460-K466 WeakPolarHBondContact O-CD 3.43Å; V460-K466 PolarHBondContact O-NZ 3.06Å; L461-K466 HydrophobicContact CD2-CB 4.18Å; D462-K466 WeakPolarHBondContact OD1-CD 3.49Å; D462-K466 WeakPolarHBondContact OD1-CE 3.39Å; D462-K466 IonicContact OD1-NZ 3.09Å; D462-K466 PolarHBondContact OD1-NZ 3.32Å; D462-K466 IonicContact OD2-NZ 3.99Å; D462-K466 PolarHBondContact OD2-NZ 3.1Å; N463-K466 PolarHBondContact O-N 2.84Å; N463-K466 PolarHBondContact OD1-N 3.07Å; K466-R468 VanDerWaalsContact C-N 3.32Å; K466-R468 PolarHBondContact O-N 3.46Å; K466-G469 PolarHBondContact O-N 2.93Å; K466-G470 PolarHBondContact O-N 2.99Å
467	I	91.8	Very high	90.6	Very high	76 Å²	76	74.4 Å²	74.4	39%	0.39	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-42.8	175.4	-63.4	165	0	0	0	110.5	L461 N463 G469 G470 L471	L461-I467 HydrophobicContact CB-CG1 4.12Å; N463-I467 WeakPolarHBondContact O-CG1 3.46Å; N463-I467 PolarHBondContact O-N 2.72Å; I467-G469 PolarHBondContact O-N 3.22Å; I467-G470 PolarHBondContact O-N 2.84Å; I467-L471 HydrophobicContact CG2-CD1 4.08Å; I467-L471 HydrophobicContact CG2-CG 4.43Å; I467-L471 WeakPolarHBondContact O-CG 3.19Å; I467-L471 PolarHBondContact O-N 3.16Å
468	R	90.6	Very high	90.7	Very high	150 Å²	150	78.5 Å²	78.5	57%	0.566	41%	0.407	S	S	*	.	H	α-helix	trans	-59	-45.7	177	-174.1	-177.3	-62.9	173.6	0.1	112.1	P464 L465 K466 G470 L471 E472	P464-R468 WeakPolarHBondContact O-CB 3.43Å; P464-R468 PolarHBondContact O-N 3.4Å; L465-R468 PolarHBondContact O-N 3.14Å; K466-R468 VanDerWaalsContact C-N 3.32Å; K466-R468 PolarHBondContact O-N 3.46Å; R468-G470 VanDerWaalsContact C-N 3.28Å; R468-G470 PolarHBondContact O-N 3.33Å; R468-L471 PolarHBondContact O-N 2.9Å; R468-L471 VanDerWaalsContact O-N 3.12Å; R468-E472 WeakPolarHBondContact O-CG 3.37Å; R468-E472 PolarHBondContact O-N 3.5Å
469	G	86.2	Confident	90.7	Very high	38 Å²	38	84.2 Å²	84.2	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-57.9	-41.7	176	0	0	0	0	0	112.3	L465 K466 I467 L471 E472 S473	L465-G469 PolarHBondContact O-N 3.42Å; L465-G469 VanDerWaalsContact O-N 3.15Å; K466-G469 PolarHBondContact O-N 2.93Å; I467-G469 PolarHBondContact O-N 3.22Å; G469-L471 PolarHBondContact O-N 3.4Å; G469-E472 PolarHBondContact O-N 3.48Å; G469-S473 PolarHBondContact O-N 3.41Å
470	G	86.9	Confident	90.9	Very high	7 Å²	7	86.3 Å²	86.3	7%	0.072	44%	0.443	C	S	.	.	H	α-helix	trans	-63.2	-40	174.3	0	0	0	0	0	113.9	R450 K466 I467 R468 S473 V474	R450-G470 VanDerWaalsContact NH1-C 3.33Å; R450-G470 PolarHBondContact NH1-O 3.05Å; K466-G470 PolarHBondContact O-N 2.99Å; I467-G470 PolarHBondContact O-N 2.84Å; R468-G470 VanDerWaalsContact C-N 3.28Å; R468-G470 PolarHBondContact O-N 3.33Å; G470-S473 PolarHBondContact O-N 3.25Å; G470-V474 PolarHBondContact O-N 3.47Å
471	L	91.9	Very high	91.1	Very high	109 Å²	109	90.4 Å²	90.4	57%	0.571	46%	0.464	S	S	*	.	H	α-helix	trans	-68.8	-32.2	178.1	-72.9	171.1	0	0	0	112.9	I467 R468 G469 V474 K475	I467-L471 HydrophobicContact CG2-CD1 4.08Å; I467-L471 HydrophobicContact CG2-CG 4.43Å; I467-L471 WeakPolarHBondContact O-CG 3.19Å; I467-L471 PolarHBondContact O-N 3.16Å; R468-L471 PolarHBondContact O-N 2.9Å; R468-L471 VanDerWaalsContact O-N 3.12Å; G469-L471 PolarHBondContact O-N 3.4Å; L471-V474 PolarHBondContact O-N 2.98Å; L471-K475 WeakPolarHBondContact O-CB 3.35Å; L471-K475 PolarHBondContact O-N 3.32Å
472	E	91.9	Very high	91.4	Very high	110 Å²	110	91.9 Å²	91.9	51%	0.514	48%	0.475	S	S	.	.	H	α-helix	trans	-62.4	-43.7	175.3	-74.4	170.2	-176.8	0	0	111.2	R468 G469 V474 K475 D476	R468-E472 WeakPolarHBondContact O-CG 3.37Å; R468-E472 PolarHBondContact O-N 3.5Å; G469-E472 PolarHBondContact O-N 3.48Å; E472-V474 PolarHBondContact O-N 2.72Å; E472-K475 WeakPolarHBondContact O-CB 3.22Å; E472-K475 PolarHBondContact O-N 2.85Å; E472-D476 PolarHBondContact O-N 3.01Å
473	S	87.4	Confident	92	Very high	39 Å²	39	91.7 Å²	91.7	27%	0.273	47%	0.474	S	S	.	.	H	α-helix	trans	-59.5	-43.2	174.1	147.1	0	0	0	0	112.6	R450 G469 G470 K475 D476 E477	R450-S473 PolarHBondContact NH2-OG 3.08Å; G469-S473 PolarHBondContact O-N 3.41Å; G470-S473 PolarHBondContact O-N 3.25Å; S473-K475 VanDerWaalsContact C-N 3.31Å; S473-K475 PolarHBondContact O-N 3.38Å; S473-D476 PolarHBondContact O-N 2.93Å; S473-E477 PolarHBondContact O-N 3.31Å; S473-E477 VanDerWaalsContact O-N 3.11Å
474	V	91.8	Very high	92.5	Very high	73 Å²	73	91.7 Å²	91.7	44%	0.442	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-36.6	177.6	175.8	0	0	0	0	111.3	G470 L471 E472 D476 E477 L478	G470-V474 PolarHBondContact O-N 3.47Å; L471-V474 PolarHBondContact O-N 2.98Å; E472-V474 PolarHBondContact O-N 2.72Å; V474-D476 VanDerWaalsContact C-N 3.34Å; V474-E477 PolarHBondContact O-N 3.17Å; V474-L478 WeakPolarHBondContact O-CB 3.3Å; V474-L478 PolarHBondContact O-N 2.98Å
475	K	95.4	Very high	92.8	Very high	152 Å²	152	92.5 Å²	92.5	66%	0.661	48%	0.479	S	S	*	.	H	α-helix	trans	-62.9	-41.1	176.2	-178.5	-174.3	174.3	-173	0	111.5	L471 E472 S473 L478 K479	L471-K475 WeakPolarHBondContact O-CB 3.35Å; L471-K475 PolarHBondContact O-N 3.32Å; E472-K475 WeakPolarHBondContact O-CB 3.22Å; E472-K475 PolarHBondContact O-N 2.85Å; S473-K475 VanDerWaalsContact C-N 3.31Å; S473-K475 PolarHBondContact O-N 3.38Å; K475-L478 PolarHBondContact O-N 2.91Å; K475-K479 WeakPolarHBondContact O-CB 3.43Å; K475-K479 PolarHBondContact O-N 2.75Å
476	D	94.2	Very high	93.2	Very high	112 Å²	112	91.3 Å²	91.3	60%	0.599	47%	0.473	S	S	*	.	H	α-helix	trans	-66.6	-41.2	177.3	-72.1	-21.8	0	0	0	111.8	E472 S473 V474 K479 M480	E472-D476 PolarHBondContact O-N 3.01Å; S473-D476 PolarHBondContact O-N 2.93Å; V474-D476 VanDerWaalsContact C-N 3.34Å; D476-K479 PolarHBondContact O-N 3.48Å; D476-M480 PolarHBondContact O-N 2.73Å
477	E	93.8	Very high	93.7	Very high	95 Å²	95	92.9 Å²	92.9	44%	0.444	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-46.1	173.2	-72.1	176.9	-160.4	0	0	112.1	S473 V474 K479 M480 L481	S473-E477 PolarHBondContact O-N 3.31Å; S473-E477 VanDerWaalsContact O-N 3.11Å; V474-E477 PolarHBondContact O-N 3.17Å; E477-K479 VanDerWaalsContact C-N 3.3Å; E477-K479 PolarHBondContact O-N 2.76Å; E477-M480 PolarHBondContact O-N 2.84Å; E477-L481 WeakPolarHBondContact O-CG 3.39Å; E477-L481 PolarHBondContact O-N 3.38Å
478	L	96.6	Very high	93.8	Very high	110 Å²	110	96.6 Å²	96.6	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-61.8	-39.5	177.5	-178.8	63.4	0	0	0	111.7	V474 K475 L481 T482	V474-L478 WeakPolarHBondContact O-CB 3.3Å; V474-L478 PolarHBondContact O-N 2.98Å; K475-L478 PolarHBondContact O-N 2.91Å; L478-L481 PolarHBondContact O-N 3.38Å; L478-T482 WeakPolarHBondContact O-CB 3.29Å; L478-T482 PolarHBondContact O-N 3.26Å; L478-T482 PolarHBondContact O-OG1 3.28Å
479	K	96.8	Very high	93.7	Very high	129 Å²	129	95.8 Å²	95.8	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-62.8	-46.3	175.4	-174	-176.8	175.6	-171	0	110.9	K475 D476 E477 L481 T482 D483	K475-K479 WeakPolarHBondContact O-CB 3.43Å; K475-K479 PolarHBondContact O-N 2.75Å; D476-K479 PolarHBondContact O-N 3.48Å; E477-K479 VanDerWaalsContact C-N 3.3Å; E477-K479 PolarHBondContact O-N 2.76Å; K479-L481 VanDerWaalsContact C-N 3.32Å; K479-L481 PolarHBondContact O-N 3.45Å; K479-T482 WeakPolarHBondContact O-CB 3.42Å; K479-T482 PolarHBondContact O-N 3.42Å; K479-T482 VanDerWaalsContact O-N 3.1Å; K479-D483 PolarHBondContact O-N 2.81Å
480	M	96.1	Very high	94	Very high	116 Å²	116	98.7 Å²	98.7	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-58.1	-42.2	177.1	176.7	-97.1	-70.2	0	0	112.3	D476 E477 D483 A484	D476-M480 PolarHBondContact O-N 2.73Å; E477-M480 PolarHBondContact O-N 2.84Å; M480-D483 PolarHBondContact O-N 3.09Å; M480-A484 WeakPolarHBondContact O-CB 3.35Å; M480-A484 PolarHBondContact O-N 2.79Å
481	L	96.3	Very high	94.4	Very high	101 Å²	101	103.5 Å²	103.5	53%	0.529	57%	0.567	S	S	.	*	H	α-helix	trans	-66.5	-37.6	174.9	-67.1	174.5	0	0	0	112.7	E477 L478 K479 A484 L485	E477-L481 WeakPolarHBondContact O-CG 3.39Å; E477-L481 PolarHBondContact O-N 3.38Å; L478-L481 PolarHBondContact O-N 3.38Å; K479-L481 VanDerWaalsContact C-N 3.32Å; K479-L481 PolarHBondContact O-N 3.45Å; L481-A484 PolarHBondContact O-N 3.45Å; L481-L485 WeakPolarHBondContact O-CG 3.41Å; L481-L485 PolarHBondContact O-N 3.22Å
482	T	96.6	Very high	94.5	Very high	64 Å²	64	103.2 Å²	103.2	39%	0.393	57%	0.567	S	S	.	*	H	α-helix	trans	-65.2	-43.5	175.8	-55.5	0	0	0	0	111.1	L478 K479 A484 L485 N486	L478-T482 WeakPolarHBondContact O-CB 3.29Å; L478-T482 PolarHBondContact O-N 3.26Å; L478-T482 PolarHBondContact O-OG1 3.28Å; K479-T482 WeakPolarHBondContact O-CB 3.42Å; K479-T482 PolarHBondContact O-N 3.42Å; K479-T482 VanDerWaalsContact O-N 3.1Å; T482-A484 VanDerWaalsContact C-N 3.33Å; T482-A484 PolarHBondContact O-N 3.43Å; T482-L485 PolarHBondContact O-N 3.07Å; T482-N486 VanDerWaalsContact O-CG 3.3Å; T482-N486 PolarHBondContact O-N 3.28Å; T482-N486 PolarHBondContact O-ND2 3.11Å
483	D	97	Very high	94.7	Very high	79 Å²	79	102.8 Å²	102.8	42%	0.422	57%	0.57	S	S	.	*	H	α-helix	trans	-63	-41	176.1	-68.4	-19.7	0	0	0	110.8	K479 M480 N486 V487	K479-D483 PolarHBondContact O-N 2.81Å; M480-D483 PolarHBondContact O-N 3.09Å; D483-N486 PolarHBondContact O-N 3.33Å; D483-V487 WeakPolarHBondContact O-CG2 3.37Å; D483-V487 PolarHBondContact O-N 2.82Å; D483-V487 VanDerWaalsContact O-N 3.16Å
484	A	97	Very high	95.2	Very high	50 Å²	50	106.8 Å²	106.8	41%	0.413	59%	0.589	S	S	.	*	H	α-helix	trans	-62.9	-40.3	174.6	0	0	0	0	0	112.8	M480 L481 T482 V487 L488	M480-A484 WeakPolarHBondContact O-CB 3.35Å; M480-A484 PolarHBondContact O-N 2.79Å; L481-A484 PolarHBondContact O-N 3.45Å; T482-A484 VanDerWaalsContact C-N 3.33Å; T482-A484 PolarHBondContact O-N 3.43Å; A484-V487 PolarHBondContact O-N 2.84Å; A484-L488 PolarHBondContact O-N 3.26Å
485	L	96.4	Very high	95.4	Very high	117 Å²	117	109.1 Å²	109.1	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-62.6	-41.8	173.8	-76.9	169.2	0	0	0	111.8	L481 T482 V487 L488 A489	L481-L485 WeakPolarHBondContact O-CG 3.41Å; L481-L485 PolarHBondContact O-N 3.22Å; T482-L485 PolarHBondContact O-N 3.07Å; L485-V487 PolarHBondContact O-N 3.17Å; L485-L488 PolarHBondContact O-N 3.28Å; L485-L488 VanDerWaalsContact O-N 3.09Å; L485-A489 PolarHBondContact O-N 2.69Å
486	N	96.3	Very high	95.4	Very high	103 Å²	103	106 Å²	106	55%	0.551	59%	0.594	S	S	*	*	H	α-helix	trans	-65.7	-24.5	178.1	-69.1	-30.9	0	0	0	113.4	T482 D483	T482-N486 VanDerWaalsContact O-CG 3.3Å; T482-N486 PolarHBondContact O-N 3.28Å; T482-N486 PolarHBondContact O-ND2 3.11Å; D483-N486 PolarHBondContact O-N 3.33Å
487	V	95.9	Very high	95.5	Very high	121 Å²	121	105.5 Å²	105.5	73%	0.733	59%	0.593	S	S	*	*	H	α-helix	trans	-75.2	-27.3	173.8	171.8	0	0	0	0	111.8	D483 A484 L485	D483-V487 WeakPolarHBondContact O-CG2 3.37Å; D483-V487 PolarHBondContact O-N 2.82Å; D483-V487 VanDerWaalsContact O-N 3.16Å; A484-V487 PolarHBondContact O-N 2.84Å; L485-V487 PolarHBondContact O-N 3.17Å
488	L	95	Very high	95.6	Very high	153 Å²	153	106.4 Å²	106.4	80%	0.801	61%	0.606	S	S	*	*	H	α-helix	trans	-94	-17.1	-178.8	-63.8	176	0	0	0	113.8	A484 L485	A484-L488 PolarHBondContact O-N 3.26Å; L485-L488 PolarHBondContact O-N 3.28Å; L485-L488 VanDerWaalsContact O-N 3.09Å
489	A	87.4	Confident	95.5	Very high	134 Å²	134	106.1 Å²	106.1	100%	1.107	61%	0.609	S	S	*	*			trans	-84.4	0	174.7	0	0	0	0	0	111	L485	L485-A489 PolarHBondContact O-N 2.69Å

Retrieved 489 of 489 residues in 475 ms (Link to these results)

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