A0A2K5NQK4_CERAT Loading...

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AlphaFold DB , UniProt , Accession A0A2K5NQK4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene SLC6A9, Length 706 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	30.1	Very low	242 Å²	242	130.7 Å²	130.7	100%	1.192	82%	0.816	S	S	*	*				0	137.5	0	-81	166.8	156.2	0	0	108.2
2	S	30.2	Very low	30.2	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	82%	0.823	S	S	*	*			trans	28.5	123.9	156.6	-150.2	0	0	0	0	118.5
3	G	28.7	Very low	31	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	83%	0.826	S	S	*	*				74.1	130	52	0	0	0	0	0	109.5
4	G	29.8	Very low	30.7	Very low	66 Å²	66	134.2 Å²	134.2	68%	0.68	82%	0.818	S	S	*	*			cis	153.9	164.5	10.9	0	0	0	0	0	108.3
5	D	32.9	Very low	30.5	Very low	152 Å²	152	138.1 Å²	138.1	81%	0.813	83%	0.827	S	S	*	*			trans	64.4	161.5	171.9	-61.1	-40.3	0	0	0	117
6	T	30.5	Very low	30.4	Very low	119 Å²	119	134.3 Å²	134.3	73%	0.73	82%	0.815	S	S	*	*			cis	-151.1	127.9	10.8	-1.9	0	0	0	0	108.3
7	R	29.6	Very low	30.4	Very low	228 Å²	228	135 Å²	135	86%	0.86	82%	0.82	S	S	*	*				82.6	143.2	87.5	-86.1	-169.6	171.8	-179	-1.5	119
8	A	30.5	Very low	30.4	Very low	99 Å²	99	131.2 Å²	131.2	82%	0.818	81%	0.805	S	S	*	*			trans	75.4	151.5	148	0	0	0	0	0	118.7
9	A	28.6	Very low	30.3	Very low	90 Å²	90	134.4 Å²	134.4	74%	0.744	81%	0.809	S	S	*	*			cis	-169.4	-177.3	-21.1	0	0	0	0	0	107.4
10	I	29.5	Very low	30	Very low	163 Å²	163	131.3 Å²	131.3	84%	0.836	81%	0.806	S	S	*	*			cis	-158.2	169.9	0.8	-144.1	161.4	0	0	0	109.3
11	A	26.8	Very low	30.6	Very low	89 Å²	89	130.8 Å²	130.8	74%	0.736	81%	0.805	S	S	*	*			trans	137.9	106	142.7	0	0	0	0	0	116.6
12	R	30.7	Very low	30.3	Very low	238 Å²	238	126.1 Å²	126.1	90%	0.898	79%	0.79	S	S	*	*			trans	-112.4	171.6	147.3	-66.6	-177.6	172.3	-176.1	-2.5	107.5
13	P	40.5	Very low	30.3	Very low	133 Å²	133	124.5 Å²	124.5	86%	0.864	78%	0.783	S	S	*	*				-135.1	151.4	85.4	19.7	1.7	0	0	0	112.2
14	G	27.3	Very low	31	Very low	70 Å²	70	126.7 Å²	126.7	72%	0.722	79%	0.785	S	S	*	*				119	148.6	72.6	0	0	0	0	0	106.6
15	M	27.8	Very low	30.7	Very low	192 Å²	192	129.7 Å²	129.7	95%	0.946	80%	0.795	S	S	*	*			cis	-159.5	170.7	11.1	-91	-173.8	174.1	0	0	107.3
16	A	29.6	Very low	30.4	Very low	78 Å²	78	127.7 Å²	127.7	65%	0.645	79%	0.793	S	S	*	*			cis	-173.1	159.4	-19.5	0	0	0	0	0	110
17	V	30.3	Very low	31	Very low	146 Å²	146	128.1 Å²	128.1	89%	0.885	80%	0.798	S	S	*	*			trans	67.2	139.4	148.6	167.1	0	0	0	0	119.9
18	A	29.1	Very low	30.7	Very low	67 Å²	67	120.8 Å²	120.8	55%	0.554	79%	0.793	S	S	*	*			cis	-170.9	173.8	-20.9	0	0	0	0	0	112.4
19	H	29	Very low	30.5	Very low	192 Å²	192	125.4 Å²	125.4	89%	0.889	80%	0.798	S	S	*	*			trans	78.9	133.6	161.8	-59.2	-71.7	0	0	0	121.1
20	G	23.5	Very low	30.4	Very low	72 Å²	72	128.2 Å²	128.2	74%	0.742	81%	0.805	S	S	*	*			trans	-117.1	-143.4	164.5	0	0	0	0	0	110.2
21	P	43.2	Very low	30.1	Very low	120 Å²	120	125.9 Å²	125.9	78%	0.779	80%	0.799	S	S	*	*			cis	-143.9	-176.1	-4.8	44.1	-25	0	0	0	116.2
22	V	29	Very low	30	Very low	145 Å²	145	128.3 Å²	128.3	88%	0.879	80%	0.799	S	S	*	*			trans	72.3	146.4	160.2	-167.4	0	0	0	0	120.2
23	A	29.5	Very low	29.5	Very low	84 Å²	84	124.3 Å²	124.3	69%	0.694	79%	0.794	S	S	*	*			trans	-96.6	-164	-178.8	0	0	0	0	0	111.9
24	P	44	Very low	29.5	Very low	118 Å²	118	123.1 Å²	123.1	77%	0.766	79%	0.787	S	S	*	*			cis	-137.9	176.2	-1.4	43.6	-26	0	0	0	116.5
25	S	23.6	Very low	29.4	Very low	128 Å²	128	126 Å²	126	90%	0.895	79%	0.79	S	S	*	*			trans	160.9	157.5	140	49.2	0	0	0	0	113.6
26	S	26.2	Very low	29.4	Very low	110 Å²	110	124.9 Å²	124.9	77%	0.769	78%	0.782	S	S	*	*			trans	-125.3	179.6	173.5	62.1	0	0	0	0	108.8
27	P	42.7	Very low	29.2	Very low	128 Å²	128	133 Å²	133	83%	0.831	80%	0.796	S	S	*	*			cis	-129.4	-180	-6	41.2	-25.4	0	0	0	113.9
28	G	24.1	Very low	29.1	Very low	74 Å²	74	131.1 Å²	131.1	76%	0.763	79%	0.789	S	S	*	*			trans	177.6	136.9	168.2	0	0	0	0	0	115.3
29	Q	25.9	Very low	28.9	Very low	197 Å²	197	138 Å²	138	92%	0.921	81%	0.807	S	S	*	*			trans	-72	148.9	178.4	-63.7	161.2	-64.8	0	0	112.3
30	V	27	Very low	28.8	Very low	148 Å²	148	138.3 Å²	138.3	90%	0.897	81%	0.806	S	S	*	*			trans	-137.2	135.1	161.6	-177.6	0	0	0	0	110.6
31	T	22.2	Very low	28.9	Very low	115 Å²	115	142.7 Å²	142.7	71%	0.706	81%	0.812	S	S	*	*			trans	-112.5	146	-176	-13.1	0	0	0	0	111
32	L	23.8	Very low	28.3	Very low	140 Å²	140	142.7 Å²	142.7	73%	0.733	81%	0.812	S	S	*	*			trans	60	109.7	153.3	-68.3	159.6	0	0	0	121
33	L	21.7	Very low	28.3	Very low	153 Å²	153	147.3 Å²	147.3	80%	0.801	81%	0.814	S	S	*	*				47.7	162.6	121.6	-65.4	177.7	0	0	0	122
34	P	41	Very low	28.2	Very low	108 Å²	108	153.7 Å²	153.7	70%	0.701	83%	0.826	S	S	*	*			cis	-134.5	-176.2	-31.6	34.8	-16.3	0	0	0	112.8
35	V	24.1	Very low	27.6	Very low	130 Å²	130	153.1 Å²	153.1	79%	0.788	83%	0.825	S	S	*	*				169.8	148.6	127.3	155	0	0	0	0	112.6
36	Q	27.9	Very low	27.9	Very low	169 Å²	169	158.7 Å²	158.7	79%	0.79	83%	0.826	S	S	*	*			trans	-44.8	156	-173.7	-59.2	154.9	-67.3	0	0	119.2
37	R	25.8	Very low	28.2	Very low	250 Å²	250	158 Å²	158	94%	0.943	83%	0.828	S	S	*	*			trans	-149.9	142.2	134.2	-113.2	178	-171.2	-169.3	2.4	112.9
38	S	27.8	Very low	27.7	Very low	105 Å²	105	156.8 Å²	156.8	73%	0.734	82%	0.817	S	S	*	*			trans	-84.9	158.6	-178.2	-41.1	0	0	0	0	112.6
39	F	25	Very low	28.3	Very low	212 Å²	212	159.5 Å²	159.5	93%	0.93	82%	0.822	S	S	*	*			trans	-137.5	139.5	163.9	-110.5	-89.1	0	0	0	112.1
40	F	25.8	Very low	28.9	Very low	198 Å²	198	154.5 Å²	154.5	87%	0.868	81%	0.808	S	S	*	*			trans	-88.9	152.5	176.3	-99.4	-104.7	0	0	0	111.2
41	L	26.6	Very low	29.7	Very low	165 Å²	165	152 Å²	152	86%	0.864	79%	0.789	S	S	*	*			trans	-128.5	147.5	166	-84.4	167.8	0	0	0	110.7
42	P	30.5	Very low	30.9	Very low	120 Å²	120	150.3 Å²	150.3	78%	0.779	78%	0.782	S	S	*	*			trans	-87.3	162.4	-174.3	34.8	-35.2	0	0	0	114.3
43	R	30.2	Very low	31.9	Very low	242 Å²	242	150.6 Å²	150.6	91%	0.913	78%	0.784	S	S	*	*			trans	-67.3	145.8	-176.2	-74.2	171.7	162.9	161.8	-6.5	114.3
44	F	26.2	Very low	32.9	Very low	218 Å²	218	146.3 Å²	146.3	96%	0.956	77%	0.77	S	S	*	*			trans	-125	152.5	146.4	-113.2	-91.1	0	0	0	109.8
45	S	31.1	Very low	33.3	Very low	106 Å²	106	147.2 Å²	147.2	74%	0.741	77%	0.765	S	S	*	*			trans	-138.7	115.3	-175.3	177.4	0	0	0	0	111.6
46	R	30.5	Very low	34.5	Very low	245 Å²	245	144 Å²	144	93%	0.925	75%	0.748	S	S	*	*			trans	178.6	121.8	135	-101.4	172.8	179	178.5	0.3	112.7
47	A	33.1	Very low	35.5	Very low	96 Å²	96	138.9 Å²	138.9	79%	0.793	73%	0.734	S	S	*	*			trans	9.2	122.6	159.7	0	0	0	0	0	122.2
48	T	31	Very low	36.9	Very low	101 Å²	101	132.5 Å²	132.5	62%	0.62	72%	0.718	S	S	*	*			trans	-140.2	147.9	135.9	47.9	0	0	0	0	109.3	S50	T48-S50 PolarHBondContact O-N 2.65Å
49	P	36.5	Very low	38.5	Very low	131 Å²	131	134.8 Å²	134.8	85%	0.851	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	12	-168.3	34.7	-36.7	0	0	0	115.6
50	S	38.8	Very low	40.4	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-10.3	-173.1	48.8	0	0	0	0	115.5	T48	T48-S50 PolarHBondContact O-N 2.65Å
51	I	44.2	Very low	41.7	Very low	97 Å²	97	126.4 Å²	126.4	50%	0.497	68%	0.682	S	S	.	*	S	Bend	trans	-87	-24.2	-173	-61.9	174	0	0	0	112.6	L53 A54 E55	I51-L53 VanDerWaalsContact C-N 3.34Å; I51-L53 PolarHBondContact O-N 3.33Å; I51-A54 PolarHBondContact O-N 3.29Å; I51-E55 HydrophobicContact CG2-CG 4.12Å; I51-E55 PolarHBondContact O-N 2.8Å
52	S	47	Very low	43.3	Very low	79 Å²	79	123.2 Å²	123.2	55%	0.552	66%	0.663	S	S	*	*	H	α-helix	trans	-56.5	-39.3	-174.9	175.9	0	0	0	0	114.3	S56	S52-S56 VanDerWaalsContact O-CB 3.27Å; S52-S56 WeakPolarHBondContact O-CB 3.13Å; S52-S56 PolarHBondContact O-N 2.96Å; S52-S56 PolarHBondContact O-OG 3.46Å
53	L	44.2	Very low	44.8	Very low	146 Å²	146	124 Å²	124	76%	0.764	66%	0.656	S	S	*	*	H	α-helix	trans	-70.3	-37.3	-178.4	-99.5	156.3	0	0	0	112.7	I51 A57	I51-L53 VanDerWaalsContact C-N 3.34Å; I51-L53 PolarHBondContact O-N 3.33Å; L53-A57 VanDerWaalsContact O-CB 3.29Å; L53-A57 WeakPolarHBondContact O-CB 3.39Å; L53-A57 PolarHBondContact O-N 2.84Å
54	A	43	Very low	45.8	Very low	62 Å²	62	113.3 Å²	113.3	51%	0.512	62%	0.619	S	S	.	*	H	α-helix	trans	-70.3	-44.4	179.1	0	0	0	0	0	111.6	I51 A57 L58	I51-A54 PolarHBondContact O-N 3.29Å; A54-A57 PolarHBondContact O-N 2.92Å; A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 PolarHBondContact O-N 3.03Å
55	E	49.1	Very low	47.1	Very low	128 Å²	128	109.1 Å²	109.1	60%	0.598	60%	0.598	S	S	*	*	H	α-helix	trans	-67.3	-36.3	176.5	-69.1	-170.9	146.4	0	0	112.6	I51 L58 K59	I51-E55 HydrophobicContact CG2-CG 4.12Å; I51-E55 PolarHBondContact O-N 2.8Å; E55-L58 PolarHBondContact O-N 2.98Å; E55-K59 PolarHBondContact O-N 2.89Å
56	S	50.8	Low	48.4	Very low	62 Å²	62	110 Å²	110	43%	0.434	59%	0.594	S	S	.	*	H	α-helix	trans	-65.8	-44.8	174.4	-59.2	0	0	0	0	111.4	S52 L58 K59 V60	S52-S56 VanDerWaalsContact O-CB 3.27Å; S52-S56 WeakPolarHBondContact O-CB 3.13Å; S52-S56 PolarHBondContact O-N 2.96Å; S52-S56 PolarHBondContact O-OG 3.46Å; S56-L58 PolarHBondContact O-N 3.41Å; S56-K59 PolarHBondContact O-N 3.33Å; S56-V60 WeakPolarHBondContact O-CG2 3.45Å; S56-V60 PolarHBondContact O-N 3.17Å
57	A	49.1	Very low	50	Low	61 Å²	61	102.1 Å²	102.1	50%	0.504	58%	0.577	S	S	.	*	H	α-helix	trans	-62.8	-40.4	174.5	0	0	0	0	0	112.1	L53 A54 V60 W61	L53-A57 VanDerWaalsContact O-CB 3.29Å; L53-A57 WeakPolarHBondContact O-CB 3.39Å; L53-A57 PolarHBondContact O-N 2.84Å; A54-A57 PolarHBondContact O-N 2.92Å; A57-V60 PolarHBondContact O-N 3.37Å; A57-W61 VanDerWaalsContact O-CB 3.27Å; A57-W61 WeakPolarHBondContact O-CB 3.14Å; A57-W61 PolarHBondContact O-N 3.44Å
58	L	55	Low	50.9	Low	116 Å²	116	98.8 Å²	98.8	61%	0.607	55%	0.552	S	S	*	*	H	α-helix	trans	-65.1	-39.8	176.8	-127.6	81.4	0	0	0	112.4	A54 E55 S56 W61 H62	A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 PolarHBondContact O-N 3.03Å; E55-L58 PolarHBondContact O-N 2.98Å; S56-L58 PolarHBondContact O-N 3.41Å; L58-W61 PolarHBondContact O-N 3.35Å; L58-H62 WeakPolarHBondContact O-CB 3.42Å; L58-H62 PolarHBondContact O-N 3.23Å
59	K	61.2	Low	52	Low	154 Å²	154	98.2 Å²	98.2	67%	0.67	54%	0.544	S	S	*	.	H	α-helix	trans	-64.1	-49.4	174.8	-83.5	-177.4	173.4	178.7	0	111.9	E55 S56 W61 H62 E63	E55-K59 PolarHBondContact O-N 2.89Å; S56-K59 PolarHBondContact O-N 3.33Å; K59-W61 VanDerWaalsContact C-N 3.25Å; K59-W61 PolarHBondContact O-N 2.89Å; K59-H62 PolarHBondContact O-N 3.22Å; K59-H62 VanDerWaalsContact O-N 3.17Å; K59-E63 PolarHBondContact O-N 3.42Å
60	V	64.2	Low	52.6	Low	96 Å²	96	93.5 Å²	93.5	58%	0.582	51%	0.512	S	S	*	.	H	α-helix	trans	-58.6	-39.6	176.2	171.4	0	0	0	0	110.9	S56 A57 A64	S56-V60 WeakPolarHBondContact O-CG2 3.45Å; S56-V60 PolarHBondContact O-N 3.17Å; A57-V60 PolarHBondContact O-N 3.37Å; V60-A64 WeakPolarHBondContact O-CB 3.47Å; V60-A64 PolarHBondContact O-N 3.01Å
61	W	53.8	Low	53.2	Low	138 Å²	138	92.5 Å²	92.5	52%	0.523	50%	0.503	S	S	.	.	H	α-helix	trans	-66.9	-42.7	176.4	-167.9	86.7	0	0	0	112.6	A57 L58 K59 A64 Y65	A57-W61 VanDerWaalsContact O-CB 3.27Å; A57-W61 WeakPolarHBondContact O-CB 3.14Å; A57-W61 PolarHBondContact O-N 3.44Å; L58-W61 PolarHBondContact O-N 3.35Å; K59-W61 VanDerWaalsContact C-N 3.25Å; K59-W61 PolarHBondContact O-N 2.89Å; W61-A64 PolarHBondContact O-N 3.11Å; W61-Y65 WeakPolarHBondContact O-CB 3.07Å; W61-Y65 PolarHBondContact O-N 3.4Å
62	H	60.1	Low	53.5	Low	98 Å²	98	94 Å²	94	45%	0.454	51%	0.508	S	S	.	.	H	α-helix	trans	-68	-39.3	176.6	-108.7	-63.5	0	0	0	113.3	L58 K59 Y65 N66	L58-H62 WeakPolarHBondContact O-CB 3.42Å; L58-H62 PolarHBondContact O-N 3.23Å; K59-H62 PolarHBondContact O-N 3.22Å; K59-H62 VanDerWaalsContact O-N 3.17Å; H62-Y65 PolarHBondContact O-N 2.79Å; H62-N66 WeakPolarHBondContact O-CB 3.35Å; H62-N66 PolarHBondContact O-N 3.04Å
63	E	61.5	Low	53.5	Low	137 Å²	137	94.7 Å²	94.7	64%	0.64	51%	0.505	S	S	*	.	H	α-helix	trans	-67.6	-41.6	174.5	-74.7	-180	147.2	0	0	111.2	K59 Y65 N66 S67	K59-E63 PolarHBondContact O-N 3.42Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-Y65 PolarHBondContact O-N 3.35Å; E63-N66 PolarHBondContact O-N 2.89Å; E63-S67 VanDerWaalsContact O-CB 3.23Å; E63-S67 WeakPolarHBondContact O-CB 3.43Å; E63-S67 PolarHBondContact O-N 2.79Å; E63-S67 PolarHBondContact O-OG 3.33Å
64	A	50.8	Low	53.8	Low	16 Å²	16	93.9 Å²	93.9	13%	0.132	50%	0.499	C	S	.	.	H	α-helix	trans	-65.8	-34	174.8	0	0	0	0	0	112.9	V60 W61 S67 L69 L70	V60-A64 WeakPolarHBondContact O-CB 3.47Å; V60-A64 PolarHBondContact O-N 3.01Å; W61-A64 PolarHBondContact O-N 3.11Å; A64-S67 WeakPolarHBondContact CA-OG 3.4Å; A64-S67 PolarHBondContact O-OG 3.16Å; A64-L69 PolarHBondContact O-N 3.17Å; A64-L70 HydrophobicContact CB-CD1 3.63Å; A64-L70 PolarHBondContact O-N 2.97Å
65	Y	54.9	Low	54.1	Low	131 Å²	131	93 Å²	93	51%	0.514	49%	0.492	S	S	.	.	H	α-helix	trans	-68.7	-50.7	173.7	-175.1	-96.2	0	0	0	111.7	W61 H62 E63 S67 G68	W61-Y65 WeakPolarHBondContact O-CB 3.07Å; W61-Y65 PolarHBondContact O-N 3.4Å; H62-Y65 PolarHBondContact O-N 2.79Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-Y65 PolarHBondContact O-N 3.35Å; Y65-S67 PolarHBondContact O-N 2.93Å; Y65-G68 PolarHBondContact O-N 3.24Å
66	N	58.3	Low	53.8	Low	125 Å²	125	93.5 Å²	93.5	67%	0.668	49%	0.494	S	S	*	.	H	α-helix	trans	-71.9	-24.9	-176.6	-75.1	-12	0	0	0	114	H62 E63 G68	H62-N66 WeakPolarHBondContact O-CB 3.35Å; H62-N66 PolarHBondContact O-N 3.04Å; E63-N66 PolarHBondContact O-N 2.89Å; N66-G68 VanDerWaalsContact C-N 3.26Å; N66-G68 PolarHBondContact O-N 2.88Å
67	S	63.1	Low	53.4	Low	79 Å²	79	96.3 Å²	96.3	55%	0.552	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.2	175.2	54.9	0	0	0	0	114.1	E63 A64 Y65 L69	E63-S67 VanDerWaalsContact O-CB 3.23Å; E63-S67 WeakPolarHBondContact O-CB 3.43Å; E63-S67 PolarHBondContact O-N 2.79Å; E63-S67 PolarHBondContact O-OG 3.33Å; A64-S67 WeakPolarHBondContact CA-OG 3.4Å; A64-S67 PolarHBondContact O-OG 3.16Å; Y65-S67 PolarHBondContact O-N 2.93Å; S67-L69 PolarHBondContact O-N 3.42Å; S67-L69 WeakPolarHBondContact OG-CB 3.32Å
68	G	53	Low	52.9	Low	26 Å²	26	96.5 Å²	96.5	27%	0.268	50%	0.498	S	S	.	.	S	Bend	trans	73.3	-0.2	-173.6	0	0	0	0	0	114.1	Y65 N66 P71 Q72	Y65-G68 PolarHBondContact O-N 3.24Å; N66-G68 VanDerWaalsContact C-N 3.26Å; N66-G68 PolarHBondContact O-N 2.88Å; G68-P71 WeakPolarHBondContact O-CD 3.3Å; G68-Q72 WeakPolarHBondContact O-CB 3.27Å; G68-Q72 WeakPolarHBondContact O-CG 3.28Å; G68-Q72 PolarHBondContact O-N 3.26Å
69	L	54.2	Low	52	Low	88 Å²	88	96.1 Å²	96.1	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-69.1	-36.8	-178.5	-151.5	86.2	0	0	0	112.1	A64 S67 Q72 L73	A64-L69 PolarHBondContact O-N 3.17Å; S67-L69 PolarHBondContact O-N 3.42Å; S67-L69 WeakPolarHBondContact OG-CB 3.32Å; L69-Q72 PolarHBondContact O-N 3.06Å; L69-L73 HydrophobicContact CD2-CD1 4.03Å; L69-L73 HydrophobicContact CG-CD1 4.09Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.49Å; L69-L73 WeakPolarHBondContact O-CG 3.34Å; L69-L73 PolarHBondContact O-N 3.25Å
70	L	47.7	Very low	50.8	Low	33 Å²	33	91.1 Å²	91.1	17%	0.173	48%	0.484	C	S	.	.	H	α-helix	trans	-67.3	-48.1	176.4	-136.5	96.2	0	0	0	111.9	A64 Q72 L73 M74	A64-L70 HydrophobicContact CB-CD1 3.63Å; A64-L70 PolarHBondContact O-N 2.97Å; L70-Q72 VanDerWaalsContact C-N 3.32Å; L70-Q72 PolarHBondContact O-N 2.91Å; L70-L73 PolarHBondContact O-N 2.89Å; L70-M74 HydrophobicContact CD2-CE 4.12Å; L70-M74 WeakPolarHBondContact O-CB 3.32Å; L70-M74 WeakPolarHBondContact O-CG 3.21Å; L70-M74 PolarHBondContact O-N 3.39Å
71	P	51.1	Low	49.5	Very low	71 Å²	71	92.4 Å²	92.4	46%	0.461	49%	0.485	S	S	.	.	H	α-helix	trans	-56.6	-40.8	169.9	-27.7	35.2	0	0	0	113.6	G68 A75	G68-P71 WeakPolarHBondContact O-CD 3.3Å; P71-A75 WeakPolarHBondContact O-CB 3.09Å; P71-A75 PolarHBondContact O-N 3.48Å
72	Q	51.4	Low	48.6	Very low	127 Å²	127	88.7 Å²	88.7	59%	0.593	48%	0.484	S	S	*	.	H	α-helix	trans	-69.4	-43.7	177.6	-76	178.6	-11.4	0	0	112.5	G68 L69 L70 M74 A75 Q76	G68-Q72 WeakPolarHBondContact O-CB 3.27Å; G68-Q72 WeakPolarHBondContact O-CG 3.28Å; G68-Q72 PolarHBondContact O-N 3.26Å; L69-Q72 PolarHBondContact O-N 3.06Å; L70-Q72 VanDerWaalsContact C-N 3.32Å; L70-Q72 PolarHBondContact O-N 2.91Å; Q72-M74 PolarHBondContact O-N 3.46Å; Q72-A75 CarbonylContact O-C 3.04Å; Q72-A75 PolarHBondContact O-N 3.22Å; Q72-Q76 WeakPolarHBondContact O-CB 3.46Å; Q72-Q76 PolarHBondContact O-N 3.01Å
73	L	47.8	Very low	47.4	Very low	95 Å²	95	92 Å²	92	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-64.6	-38.3	174.7	-79.8	163	0	0	0	111.8	L69 L70 Q76 H77	L69-L73 HydrophobicContact CD2-CD1 4.03Å; L69-L73 HydrophobicContact CG-CD1 4.09Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.49Å; L69-L73 WeakPolarHBondContact O-CG 3.34Å; L69-L73 PolarHBondContact O-N 3.25Å; L70-L73 PolarHBondContact O-N 2.89Å; L73-Q76 PolarHBondContact O-N 2.96Å; L73-H77 WeakPolarHBondContact O-CB 3.39Å; L73-H77 PolarHBondContact O-N 3.35Å
74	M	50.7	Low	46.3	Very low	128 Å²	128	93.3 Å²	93.3	63%	0.631	51%	0.511	S	S	*	.	H	α-helix	trans	-69.1	-35.9	173	-74.1	-171.6	170.3	0	0	112.4	L70 Q72 S78	L70-M74 HydrophobicContact CD2-CE 4.12Å; L70-M74 WeakPolarHBondContact O-CB 3.32Å; L70-M74 WeakPolarHBondContact O-CG 3.21Å; L70-M74 PolarHBondContact O-N 3.39Å; Q72-M74 PolarHBondContact O-N 3.46Å; M74-S78 WeakPolarHBondContact O-CB 3.33Å; M74-S78 PolarHBondContact O-N 3.4Å; M74-S78 PolarHBondContact O-OG 2.83Å; M74-S78 VanDerWaalsContact O-OG 3.12Å
75	A	47.7	Very low	45.5	Very low	45 Å²	45	94.7 Å²	94.7	37%	0.372	53%	0.526	S	S	.	.	H	α-helix	trans	-69.2	-35.5	172.7	0	0	0	0	0	112.4	P71 Q72 S78 L79	P71-A75 WeakPolarHBondContact O-CB 3.09Å; P71-A75 PolarHBondContact O-N 3.48Å; Q72-A75 CarbonylContact O-C 3.04Å; Q72-A75 PolarHBondContact O-N 3.22Å; A75-S78 WeakPolarHBondContact CA-OG 3.34Å; A75-S78 PolarHBondContact O-OG 3.31Å; A75-L79 WeakPolarHBondContact O-CB 3.34Å; A75-L79 WeakPolarHBondContact O-CD1 3.45Å; A75-L79 PolarHBondContact O-N 3.38Å
76	Q	44.1	Very low	44.3	Very low	138 Å²	138	92.3 Å²	92.3	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-79.6	-31.9	179.9	-158.1	164.6	9.9	0	0	111.2	Q72 L73 A80	Q72-Q76 WeakPolarHBondContact O-CB 3.46Å; Q72-Q76 PolarHBondContact O-N 3.01Å; L73-Q76 PolarHBondContact O-N 2.96Å; Q76-A80 VanDerWaalsContact O-CB 3.28Å; Q76-A80 WeakPolarHBondContact O-CB 3.5Å; Q76-A80 PolarHBondContact O-N 3.01Å
77	H	41.8	Very low	43.2	Very low	120 Å²	120	91.8 Å²	91.8	56%	0.556	54%	0.535	S	S	*	.	H	α-helix	trans	-73.1	-34.2	168.8	-155.4	66.1	0	0	0	111.9	L73 A80 M81	L73-H77 WeakPolarHBondContact O-CB 3.39Å; L73-H77 PolarHBondContact O-N 3.35Å; H77-A80 PolarHBondContact O-N 3.33Å; H77-M81 WeakPolarHBondContact O-CB 3.31Å; H77-M81 WeakPolarHBondContact O-CG 3.3Å; H77-M81 PolarHBondContact O-N 3.09Å
78	S	39.6	Very low	41.6	Very low	66 Å²	66	93.2 Å²	93.2	46%	0.462	54%	0.543	S	S	.	.	H	α-helix	trans	-73.9	-32.8	172.9	72.8	0	0	0	0	112.8	M74 A75 M81 A82	M74-S78 WeakPolarHBondContact O-CB 3.33Å; M74-S78 PolarHBondContact O-N 3.4Å; M74-S78 PolarHBondContact O-OG 2.83Å; M74-S78 VanDerWaalsContact O-OG 3.12Å; A75-S78 WeakPolarHBondContact CA-OG 3.34Å; A75-S78 PolarHBondContact O-OG 3.31Å; S78-M81 CarbonylContact O-C 3.31Å; S78-M81 PolarHBondContact O-N 3.33Å; S78-A82 VanDerWaalsContact O-CB 3.31Å; S78-A82 WeakPolarHBondContact O-CB 3.42Å; S78-A82 PolarHBondContact O-N 2.68Å
79	L	36	Very low	40.5	Very low	107 Å²	107	97.7 Å²	97.7	56%	0.56	57%	0.57	S	S	*	*	H	α-helix	trans	-67.8	-39.6	167.4	-99.1	99	0	0	0	112.3	A75 M81 A82 Q83	A75-L79 WeakPolarHBondContact O-CB 3.34Å; A75-L79 WeakPolarHBondContact O-CD1 3.45Å; A75-L79 PolarHBondContact O-N 3.38Å; L79-M81 VanDerWaalsContact C-N 3.34Å; L79-A82 WeakPolarHBondContact O-CB 3.28Å; L79-A82 PolarHBondContact O-N 3.19Å; L79-A82 VanDerWaalsContact O-N 3.11Å; L79-Q83 PolarHBondContact O-N 2.83Å
80	A	35.8	Very low	39.6	Very low	50 Å²	50	98.5 Å²	98.5	41%	0.413	57%	0.571	S	S	.	*	H	α-helix	trans	-65	-37.7	173.7	0	0	0	0	0	111.9	Q76 H77 N84	Q76-A80 VanDerWaalsContact O-CB 3.28Å; Q76-A80 WeakPolarHBondContact O-CB 3.5Å; Q76-A80 PolarHBondContact O-N 3.01Å; H77-A80 PolarHBondContact O-N 3.33Å; A80-N84 PolarHBondContact O-N 3.47Å; A80-N84 VanDerWaalsContact O-N 3.16Å
81	M	36	Very low	38.9	Very low	122 Å²	122	101 Å²	101	60%	0.601	60%	0.597	S	S	*	*	H	α-helix	trans	-70	-28.8	168.9	-76.3	-167.4	173.9	0	0	112.8	H77 S78 L79 G85	H77-M81 WeakPolarHBondContact O-CB 3.31Å; H77-M81 WeakPolarHBondContact O-CG 3.3Å; H77-M81 PolarHBondContact O-N 3.09Å; S78-M81 CarbonylContact O-C 3.31Å; S78-M81 PolarHBondContact O-N 3.33Å; L79-M81 VanDerWaalsContact C-N 3.34Å; M81-G85 CarbonylContact O-C 3.55Å; M81-G85 WeakPolarHBondContact O-CA 3.43Å; M81-G85 PolarHBondContact O-N 3.13Å
82	A	36.2	Very low	38.2	Very low	61 Å²	61	103.9 Å²	103.9	50%	0.504	61%	0.613	S	S	.	*	H	α-helix	trans	-72.7	-34.2	174.7	0	0	0	0	0	112.2	S78 L79 A86	S78-A82 VanDerWaalsContact O-CB 3.31Å; S78-A82 WeakPolarHBondContact O-CB 3.42Å; S78-A82 PolarHBondContact O-N 2.68Å; L79-A82 WeakPolarHBondContact O-CB 3.28Å; L79-A82 PolarHBondContact O-N 3.19Å; L79-A82 VanDerWaalsContact O-N 3.11Å; A82-A86 PolarHBondContact O-N 3.24Å
83	Q	34.4	Very low	38.1	Very low	167 Å²	167	102.5 Å²	102.5	78%	0.78	61%	0.605	S	S	*	*	H	α-helix	trans	-82.1	-19.9	178.3	-74	-175.6	-37.2	0	0	114.3	L79	L79-Q83 PolarHBondContact O-N 2.83Å
84	N	37.5	Very low	38.8	Very low	164 Å²	164	108.5 Å²	108.5	88%	0.877	62%	0.621	S	S	*	*	S	Bend	trans	-114.4	10.5	171.6	-80.1	-30.9	0	0	0	114.1	A80	A80-N84 PolarHBondContact O-N 3.47Å; A80-N84 VanDerWaalsContact O-N 3.16Å
85	G	35.1	Very low	39.8	Very low	45 Å²	45	104.5 Å²	104.5	46%	0.464	60%	0.602	S	S	.	*			trans	-145.3	28.1	-172.5	0	0	0	0	0	112.9	M81 V87	M81-G85 CarbonylContact O-C 3.55Å; M81-G85 WeakPolarHBondContact O-CA 3.43Å; M81-G85 PolarHBondContact O-N 3.13Å; G85-V87 PolarHBondContact O-N 3.35Å
86	A	28.1	Very low	41	Very low	82 Å²	82	105.9 Å²	105.9	68%	0.678	60%	0.601	S	S	*	*			trans	-62.6	85.2	154.6	0	0	0	0	0	108.5	A82 P88	A82-A86 PolarHBondContact O-N 3.24Å; A86-P88 WeakPolarHBondContact O-CD 3.49Å; A86-P88 VanDerWaalsContact O-N 3.11Å
87	V	35.3	Very low	42.6	Very low	114 Å²	114	100.3 Å²	100.3	69%	0.691	58%	0.576	S	S	*	*			trans	-57.6	109.3	151.1	177.2	0	0	0	0	104.4	G85 S89	G85-V87 PolarHBondContact O-N 3.35Å; V87-S89 PolarHBondContact O-N 2.9Å; V87-S89 VanDerWaalsContact O-N 3.16Å
88	P	30.7	Very low	44	Very low	109 Å²	109	101.6 Å²	101.6	71%	0.708	59%	0.586	S	S	*	*			trans	-61	126.6	171	-9.7	26.2	0	0	0	104.8	A86 E90	A86-P88 WeakPolarHBondContact O-CD 3.49Å; A86-P88 VanDerWaalsContact O-N 3.11Å; P88-E90 VanDerWaalsContact O-CA 3.24Å; P88-E90 WeakPolarHBondContact O-CA 3.39Å; P88-E90 PolarHBondContact O-N 2.94Å
89	S	30.1	Very low	45.7	Very low	120 Å²	120	107.5 Å²	107.5	84%	0.839	60%	0.603	S	S	*	*			trans	-30.2	105.7	177.8	177.1	0	0	0	0	109.4	V87 A91	V87-S89 PolarHBondContact O-N 2.9Å; V87-S89 VanDerWaalsContact O-N 3.16Å; S89-A91 VanDerWaalsContact C-N 3.31Å; S89-A91 PolarHBondContact O-N 3.43Å
90	E	33.9	Very low	47.8	Very low	104 Å²	104	104.2 Å²	104.2	49%	0.486	58%	0.584	S	S	.	*			trans	-68	96	-156.9	-172.1	173.9	-131.3	0	0	108.3	P88 T92 K93	P88-E90 VanDerWaalsContact O-CA 3.24Å; P88-E90 WeakPolarHBondContact O-CA 3.39Å; P88-E90 PolarHBondContact O-N 2.94Å; E90-T92 PolarHBondContact O-N 3.18Å; E90-K93 WeakPolarHBondContact OE1-CE 3.33Å; E90-K93 IonicContact OE1-NZ 2.67Å; E90-K93 PolarHBondContact OE1-NZ 3.17Å; E90-K93 IonicContact OE2-NZ 3.76Å
91	A	33.4	Very low	50.1	Low	87 Å²	87	102.4 Å²	102.4	72%	0.719	57%	0.57	S	S	*	*			trans	-53.6	111.3	-175	0	0	0	0	0	107	S89 K93	S89-A91 VanDerWaalsContact C-N 3.31Å; S89-A91 PolarHBondContact O-N 3.43Å; A91-K93 PolarHBondContact O-N 3.03Å
92	T	37.6	Very low	52.7	Low	131 Å²	131	96.9 Å²	96.9	80%	0.804	54%	0.543	S	S	*	.			trans	-35.1	102	-163.6	-55.4	0	0	0	0	110	E90 R94	E90-T92 PolarHBondContact O-N 3.18Å; T92-R94 VanDerWaalsContact C-N 3.31Å; T92-R94 PolarHBondContact O-N 3.23Å
93	K	49.2	Very low	55.4	Low	98 Å²	98	94.7 Å²	94.7	43%	0.426	52%	0.521	S	S	.	.			trans	-54.9	96.9	-172.9	-88.8	167.9	171.5	156.5	0	108	E90 A91 D95 N105	E90-K93 WeakPolarHBondContact OE1-CE 3.33Å; E90-K93 IonicContact OE1-NZ 2.67Å; E90-K93 PolarHBondContact OE1-NZ 3.17Å; E90-K93 IonicContact OE2-NZ 3.76Å; A91-K93 PolarHBondContact O-N 3.03Å; K93-D95 PolarHBondContact O-N 3.25Å; K93-N105 PolarHBondContact NZ-OD1 3.26Å
94	R	60.7	Low	57.8	Low	221 Å²	221	88 Å²	88	83%	0.834	50%	0.498	S	S	*	.			trans	-58.7	133.6	179.9	-94.7	-178	170.5	172.8	-3.2	107.3	T92 Q96	T92-R94 VanDerWaalsContact C-N 3.31Å; T92-R94 PolarHBondContact O-N 3.23Å; R94-Q96 PolarHBondContact O-N 2.83Å
95	D	71.9	Confident	60.1	Low	43 Å²	43	83 Å²	83	23%	0.23	47%	0.471	C	S	.	.			trans	-59.1	123.1	169.8	-74.5	-36.1	0	0	0	107.4	K93 N97 L98 N102 K310	K93-D95 PolarHBondContact O-N 3.25Å; D95-N97 PolarHBondContact O-N 2.7Å; D95-L98 HydrophobicContact CB-CD2 4.37Å; D95-N102 WeakPolarHBondContact OD1-CB 3.35Å; D95-N102 PolarHBondContact OD1-N 3.11Å; D95-N102 VanDerWaalsContact OD1-N 3.16Å; D95-K310 IonicContact OD1-NZ 2.62Å; D95-K310 PolarHBondContact OD1-NZ 3.28Å; D95-K310 VanDerWaalsContact OD2-CE 3.28Å; D95-K310 WeakPolarHBondContact OD2-CE 3.38Å; D95-K310 IonicContact OD2-NZ 3.58Å; D95-K310 PolarHBondContact OD2-NZ 2.95Å
96	Q	74.2	Confident	62.7	Low	75 Å²	75	84.6 Å²	84.6	35%	0.35	47%	0.466	S	S	.	.	S	Bend	trans	-64.5	-34.7	177.1	-67.9	179.9	-77.9	0	0	109.7	R94 N102 K387 L658	R94-Q96 PolarHBondContact O-N 2.83Å; Q96-N102 PolarHBondContact N-OD1 2.86Å; Q96-K387 VanDerWaalsContact OE1-CB 3.26Å; Q96-K387 VanDerWaalsContact OE1-CG 3.22Å; Q96-L658 HydrophobicContact CB-CD1 3.9Å
97	N	77.4	Confident	65.8	Low	20 Å²	20	85.7 Å²	85.7	11%	0.107	46%	0.459	C	S	.	.			trans	-108	90.9	173.7	-169.2	-26.2	0	0	0	110.3	D95 K99 R100 G101 N102 L658	D95-N97 PolarHBondContact O-N 2.7Å; N97-K99 PolarHBondContact O-N 2.92Å; N97-K99 PolarHBondContact OD1-N 2.97Å; N97-R100 HydrophobicContact CB-CB 4.28Å; N97-R100 PolarHBondContact O-N 3.04Å; N97-R100 WeakPolarHBondContact OD1-CB 3.44Å; N97-R100 PolarHBondContact OD1-N 2.88Å; N97-G101 VanDerWaalsContact O-CA 3.26Å; N97-G101 WeakPolarHBondContact O-CA 3.33Å; N97-G101 PolarHBondContact O-N 3.49Å; N97-N102 PolarHBondContact N-OD1 3.28Å; N97-L658 HydrophobicContact CB-CD1 4.39Å; N97-L658 HydrophobicContact CB-CD2 4.1Å
98	L	70.6	Confident	68.6	Low	148 Å²	148	80.3 Å²	80.3	78%	0.775	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.8	178.3	-67.9	171.5	0	0	0	113.8	D95	D95-L98 HydrophobicContact CB-CD2 4.37Å
99	K	75.1	Confident	71.7	Confident	190 Å²	190	75.1 Å²	75.1	83%	0.826	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-35.2	-179.9	-70.2	-171.4	176.5	-172.9	0	112.6	N97	N97-K99 PolarHBondContact O-N 2.92Å; N97-K99 PolarHBondContact OD1-N 2.97Å
100	R	81.3	Confident	74.8	Confident	38 Å²	38	70.7 Å²	70.7	14%	0.143	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-31.2	179.2	-165.8	172.7	-165.3	79.2	7.5	113	N97 S165 Q166 S384 Y385 T482 D486	N97-R100 HydrophobicContact CB-CB 4.28Å; N97-R100 PolarHBondContact O-N 3.04Å; N97-R100 WeakPolarHBondContact OD1-CB 3.44Å; N97-R100 PolarHBondContact OD1-N 2.88Å; R100-S165 WeakPolarHBondContact CD-O 3.38Å; R100-S165 PolarHBondContact NE-O 2.97Å; R100-S165 PolarHBondContact NH1-O 3.07Å; R100-Q166 VanDerWaalsContact NH2-C 3.35Å; R100-S384 VanDerWaalsContact CD-O 3.3Å; R100-S384 WeakPolarHBondContact CD-O 3.38Å; R100-S384 PolarHBondContact NE-O 3.33Å; R100-S384 PolarHBondContact NE-OG 2.67Å; R100-S384 PolarHBondContact NH2-OG 3.34Å; R100-Y385 HydrophobicContact CG-CD1 3.82Å; R100-Y385 HydrophobicContact CG-CE1 3.58Å; R100-Y385 VanDerWaalsContact O-CE1 3.31Å; R100-Y385 WeakPolarHBondContact O-CE1 3.38Å; R100-T482 VanDerWaalsContact NH2-CG2 3.33Å; R100-D486 IonicContact CZ-OD1 2.7Å; R100-D486 IonicContact CZ-OD2 2.7Å; R100-D486 VanDerWaalsContact NH1-CG 3.31Å; R100-D486 IonicContact NH1-OD1 3.63Å; R100-D486 PolarHBondContact NH1-OD1 3.28Å; R100-D486 IonicContact NH1-OD2 3.3Å; R100-D486 PolarHBondContact NH1-OD2 3.48Å; R100-D486 IonicContact NH2-OD1 2.7Å; R100-D486 IonicContact NH2-OD2 2.67Å; R100-D486 PolarHBondContact NH2-OD2 2.91Å
101	G	84.5	Confident	77.8	Confident	12 Å²	12	67.3 Å²	67.3	12%	0.124	35%	0.346	C	S	.	.			trans	75.4	161.5	-162.4	0	0	0	0	0	112.2	N97	N97-G101 VanDerWaalsContact O-CA 3.26Å; N97-G101 WeakPolarHBondContact O-CA 3.33Å; N97-G101 PolarHBondContact O-N 3.49Å
102	N	90.3	Very high	80.7	Confident	6 Å²	6	63.3 Å²	63.3	3%	0.032	31%	0.313	C	S	.	.			trans	-120.1	166.6	168.6	-66.8	113.5	0	0	0	111.4	D95 Q96 N97 K310 Y385 N386	D95-N102 WeakPolarHBondContact OD1-CB 3.35Å; D95-N102 PolarHBondContact OD1-N 3.11Å; D95-N102 VanDerWaalsContact OD1-N 3.16Å; Q96-N102 PolarHBondContact N-OD1 2.86Å; N97-N102 PolarHBondContact N-OD1 3.28Å; N102-K310 WeakPolarHBondContact O-CE 3.43Å; N102-K310 PolarHBondContact O-NZ 3.17Å; N102-Y385 VanDerWaalsContact CA-O 3.23Å; N102-Y385 WeakPolarHBondContact CA-O 3.23Å; N102-Y385 WeakPolarHBondContact CB-O 3.48Å; N102-Y385 PolarHBondContact ND2-O 3.27Å; N102-N386 PolarHBondContact ND2-O 2.89Å
103	W	91.3	Very high	83.5	Confident	14 Å²	14	57.1 Å²	57.1	5%	0.053	28%	0.275	C	S	.	.			trans	-55.9	143.4	164.1	-65.3	104.3	0	0	0	110.9	E108 F109 T112 V309 M382 Y385 N386	W103-E108 HydrophobicContact CE3-CB 4.02Å; W103-F109 HydrophobicContact CD2-CB 4Å; W103-F109 HydrophobicContact CG-CB 3.83Å; W103-F109 HydrophobicContact CZ2-CD2 4.38Å; W103-F109 AromaticContact NE1-CD2 3.51Å; W103-F109 AromaticContact NE1-CG 3.98Å; W103-T112 HydrophobicContact CH2-CG2 3.87Å; W103-V309 HydrophobicContact CD2-CB 4.47Å; W103-V309 HydrophobicContact CE3-CB 4.04Å; W103-V309 HydrophobicContact CH2-CB 3.72Å; W103-V309 HydrophobicContact CH2-CG1 3.53Å; W103-V309 HydrophobicContact CZ2-CB 4.2Å; W103-V309 HydrophobicContact CZ2-CG1 3.77Å; W103-V309 HydrophobicContact CZ3-CB 3.65Å; W103-V309 HydrophobicContact CZ3-CG1 4.02Å; W103-M382 HydrophobicContact CH2-SD 3.99Å; W103-M382 HydrophobicContact CZ2-CB 4.27Å; W103-M382 HydrophobicContact CZ2-SD 3.87Å; W103-M382 PolarHBondContact NE1-O 3.16Å; W103-Y385 PolarHBondContact N-O 3.21Å; W103-Y385 VanDerWaalsContact N-O 3.17Å; W103-N386 PolarHBondContact NE1-OD1 3.5Å
104	G	84.9	Confident	85.8	Confident	28 Å²	28	52.8 Å²	52.8	29%	0.289	26%	0.257	S	S	.	.	S	Bend	trans	-65.9	-42.3	177.5	0	0	0	0	0	111.3	E108	G104-E108 WeakPolarHBondContact CA-OE2 3.18Å; G104-E108 PolarHBondContact N-OE2 2.92Å
105	N	87.7	Confident	87.4	Confident	57 Å²	57	42.5 Å²	42.5	31%	0.305	22%	0.219	S	C	.	.	S	Bend	trans	-143.4	155.7	173.7	-83.2	-42.6	0	0	0	112	K93 I107 E108	K93-N105 PolarHBondContact NZ-OD1 3.26Å; N105-I107 PolarHBondContact O-N 3.08Å; N105-E108 HydrophobicContact CB-CG 4.21Å; N105-E108 PolarHBondContact N-OE2 3.3Å; N105-E108 VanDerWaalsContact N-OE2 3.16Å; N105-E108 VanDerWaalsContact O-CB 3.28Å; N105-E108 WeakPolarHBondContact O-CB 3.45Å; N105-E108 PolarHBondContact O-N 2.87Å
106	Q	89.4	Confident	88.6	Confident	80 Å²	80	40.7 Å²	40.7	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-59.9	-32.8	179.8	-173	-178.9	0.8	0	0	112.7	E108 F109 V110 N390 D395	Q106-E108 PolarHBondContact O-N 3.25Å; Q106-F109 WeakPolarHBondContact O-CB 3.44Å; Q106-F109 PolarHBondContact O-N 2.86Å; Q106-V110 HydrophobicContact CG-CG2 4.42Å; Q106-V110 WeakPolarHBondContact O-CG2 3.35Å; Q106-V110 PolarHBondContact O-N 3.37Å; Q106-N390 PolarHBondContact NE2-OD1 3.21Å; Q106-D395 PolarHBondContact NE2-OD1 3.22Å; Q106-D395 PolarHBondContact NE2-OD2 3.3Å
107	I	92.2	Very high	89.6	Confident	104 Å²	104	37.3 Å²	37.3	53%	0.533	19%	0.194	S	C	.	.	H	α-helix	trans	-61.4	-32.1	175.7	-64.3	175.2	0	0	0	111.3	N105 V110 L111 Y317	N105-I107 PolarHBondContact O-N 3.08Å; I107-V110 PolarHBondContact O-N 3.47Å; I107-L111 HydrophobicContact CG2-CD1 3.69Å; I107-L111 HydrophobicContact CG2-CG 3.95Å; I107-L111 VanDerWaalsContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CB 3.43Å; I107-L111 WeakPolarHBondContact O-CG 3.17Å; I107-L111 PolarHBondContact O-N 2.84Å; I107-Y317 HydrophobicContact CG2-CE1 3.77Å
108	E	94.5	Very high	90.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-41.6	178	-54	179.8	165.9	0	0	111	W103 G104 N105 Q106 T112 G313 K314 Y317	W103-E108 HydrophobicContact CE3-CB 4.02Å; G104-E108 WeakPolarHBondContact CA-OE2 3.18Å; G104-E108 PolarHBondContact N-OE2 2.92Å; N105-E108 HydrophobicContact CB-CG 4.21Å; N105-E108 PolarHBondContact N-OE2 3.3Å; N105-E108 VanDerWaalsContact N-OE2 3.16Å; N105-E108 VanDerWaalsContact O-CB 3.28Å; N105-E108 WeakPolarHBondContact O-CB 3.45Å; N105-E108 PolarHBondContact O-N 2.87Å; Q106-E108 PolarHBondContact O-N 3.25Å; E108-T112 VanDerWaalsContact O-CB 3.24Å; E108-T112 WeakPolarHBondContact O-CB 3.43Å; E108-T112 PolarHBondContact O-N 3.36Å; E108-T112 PolarHBondContact O-OG1 3.4Å; E108-G313 WeakPolarHBondContact CG-O 3.25Å; E108-K314 WeakPolarHBondContact OE1-CE 3.45Å; E108-K314 IonicContact OE1-NZ 3.79Å; E108-K314 PolarHBondContact OE1-NZ 3.38Å; E108-Y317 HydrophobicContact CG-CE2 3.74Å; E108-Y317 WeakPolarHBondContact CG-OH 3.42Å
109	F	95.3	Very high	91.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-48.3	172.5	166.7	-114.1	0	0	0	111.9	W103 Q106 T112 S113 L158 M382 N386 D395 I399	W103-F109 HydrophobicContact CD2-CB 4Å; W103-F109 HydrophobicContact CG-CB 3.83Å; W103-F109 HydrophobicContact CZ2-CD2 4.38Å; W103-F109 AromaticContact NE1-CD2 3.51Å; W103-F109 AromaticContact NE1-CG 3.98Å; Q106-F109 WeakPolarHBondContact O-CB 3.44Å; Q106-F109 PolarHBondContact O-N 2.86Å; F109-T112 PolarHBondContact O-N 2.79Å; F109-S113 VanDerWaalsContact CE2-OG 3.29Å; F109-S113 WeakPolarHBondContact CE2-OG 3.31Å; F109-S113 WeakPolarHBondContact O-CB 3.32Å; F109-S113 PolarHBondContact O-N 3.35Å; F109-S113 PolarHBondContact O-OG 3.24Å; F109-L158 HydrophobicContact CE2-CD2 4.33Å; F109-L158 HydrophobicContact CZ-CD1 3.98Å; F109-L158 HydrophobicContact CZ-CD2 3.93Å; F109-M382 HydrophobicContact CD2-CB 4.47Å; F109-M382 HydrophobicContact CE2-CB 4.18Å; F109-N386 VanDerWaalsContact CD2-OD1 3.28Å; F109-N386 WeakPolarHBondContact CD2-OD1 3.12Å; F109-N386 VanDerWaalsContact CE1-ND2 3.33Å; F109-N386 WeakPolarHBondContact CE1-ND2 3.12Å; F109-N386 WeakPolarHBondContact CG-OD1 3.27Å; F109-N386 VanDerWaalsContact CZ-ND2 3.3Å; F109-N386 WeakPolarHBondContact CZ-ND2 3.19Å; F109-D395 HydrophobicContact CE1-CB 3.84Å; F109-D395 WeakPolarHBondContact CE1-OD2 3.44Å; F109-I399 HydrophobicContact CE1-CD1 4.48Å
110	V	96.2	Very high	92.1	Very high	27 Å²	27	20.9 Å²	20.9	16%	0.164	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-47	-178.8	174.8	0	0	0	0	110.8	Q106 I107 S113 V114 I399	Q106-V110 HydrophobicContact CG-CG2 4.42Å; Q106-V110 WeakPolarHBondContact O-CG2 3.35Å; Q106-V110 PolarHBondContact O-N 3.37Å; I107-V110 PolarHBondContact O-N 3.47Å; V110-S113 PolarHBondContact O-N 3.39Å; V110-V114 HydrophobicContact CG1-CG2 4.45Å; V110-V114 WeakPolarHBondContact O-CB 3.48Å; V110-V114 WeakPolarHBondContact O-CG2 3.47Å; V110-V114 PolarHBondContact O-N 3.05Å; V110-I399 HydrophobicContact CG1-CG1 4.2Å
111	L	96.1	Very high	92.4	Very high	34 Å²	34	19.5 Å²	19.5	18%	0.178	12%	0.115	C	C	.	.	H	α-helix	trans	-66.7	-35.8	177.2	-70.3	-180	0	0	0	112.7	I107 G115 V316 Y317 A320 T321	I107-L111 HydrophobicContact CG2-CD1 3.69Å; I107-L111 HydrophobicContact CG2-CG 3.95Å; I107-L111 VanDerWaalsContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CB 3.43Å; I107-L111 WeakPolarHBondContact O-CG 3.17Å; I107-L111 PolarHBondContact O-N 2.84Å; L111-G115 PolarHBondContact O-N 3.31Å; L111-V316 HydrophobicContact CB-CB 4.42Å; L111-V316 HydrophobicContact CB-CG2 4Å; L111-Y317 HydrophobicContact CD1-CD1 3.71Å; L111-Y317 HydrophobicContact CD1-CE1 3.98Å; L111-Y317 HydrophobicContact CD1-CG 4.29Å; L111-A320 HydrophobicContact CB-CB 4.45Å; L111-T321 HydrophobicContact CD2-CG2 4.36Å
112	T	95.8	Very high	92.8	Very high	3 Å²	3	19 Å²	19	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-65.6	-41.1	173.2	-55.3	0	0	0	0	111.1	W103 E108 F109 G115 Y116 V316 M382	W103-T112 HydrophobicContact CH2-CG2 3.87Å; E108-T112 VanDerWaalsContact O-CB 3.24Å; E108-T112 WeakPolarHBondContact O-CB 3.43Å; E108-T112 PolarHBondContact O-N 3.36Å; E108-T112 PolarHBondContact O-OG1 3.4Å; F109-T112 PolarHBondContact O-N 2.79Å; T112-G115 CarbonylContact O-C 3.47Å; T112-G115 PolarHBondContact O-N 3.41Å; T112-Y116 WeakPolarHBondContact O-CB 3.46Å; T112-Y116 PolarHBondContact O-N 2.94Å; T112-V316 HydrophobicContact CG2-CG1 4.43Å; T112-M382 HydrophobicContact CG2-SD 3.77Å
113	S	96.4	Very high	92.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.6	-34.9	179.4	-54.7	0	0	0	0	112.4	F109 V110 Y116 A117 I399	F109-S113 VanDerWaalsContact CE2-OG 3.29Å; F109-S113 WeakPolarHBondContact CE2-OG 3.31Å; F109-S113 WeakPolarHBondContact O-CB 3.32Å; F109-S113 PolarHBondContact O-N 3.35Å; F109-S113 PolarHBondContact O-OG 3.24Å; V110-S113 PolarHBondContact O-N 3.39Å; S113-Y116 PolarHBondContact O-N 2.91Å; S113-A117 PolarHBondContact O-N 2.84Å; S113-A117 VanDerWaalsContact O-N 3.14Å; S113-I399 VanDerWaalsContact CB-CD1 3.45Å
114	V	96.6	Very high	92.4	Very high	8 Å²	8	19.4 Å²	19.4	5%	0.048	11%	0.111	C	C	.	.	H	α-helix	trans	-65.1	-46.7	169.1	168.3	0	0	0	0	110.4	V110 Y116 A117 V118 I399 T402	V110-V114 HydrophobicContact CG1-CG2 4.45Å; V110-V114 WeakPolarHBondContact O-CB 3.48Å; V110-V114 WeakPolarHBondContact O-CG2 3.47Å; V110-V114 PolarHBondContact O-N 3.05Å; V114-Y116 PolarHBondContact O-N 3.14Å; V114-A117 PolarHBondContact O-N 3.04Å; V114-V118 HydrophobicContact CG1-CG2 4.02Å; V114-V118 VanDerWaalsContact O-CB 3.23Å; V114-V118 WeakPolarHBondContact O-CB 3.38Å; V114-V118 WeakPolarHBondContact O-CG2 3.47Å; V114-V118 PolarHBondContact O-N 3.14Å; V114-I399 HydrophobicContact CG2-CB 4.41Å; V114-I399 HydrophobicContact CG2-CG1 4.21Å; V114-I399 HydrophobicContact CG2-CG2 4.08Å; V114-T402 HydrophobicContact CG1-CG2 3.86Å; V114-T402 HydrophobicContact CG2-CG2 4.05Å
115	G	95	Very high	92.6	Very high	5 Å²	5	20.7 Å²	20.7	5%	0.052	11%	0.107	C	C	.	.	H	α-helix	trans	-66	-22.5	176.5	0	0	0	0	0	113.9	L111 T112 G471 T472	L111-G115 PolarHBondContact O-N 3.31Å; T112-G115 CarbonylContact O-C 3.47Å; T112-G115 PolarHBondContact O-N 3.41Å; G115-G471 CarbonylContact O-C 3.56Å; G115-G471 VanDerWaalsContact O-CA 3.28Å; G115-G471 WeakPolarHBondContact O-CA 3.45Å; G115-T472 PolarHBondContact O-N 3.09Å; G115-T472 VanDerWaalsContact O-N 3.08Å
116	Y	95.6	Very high	92.9	Very high	5 Å²	5	18 Å²	18	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-73.2	-51	172.2	172	-124.6	0	0	0	111.9	T112 S113 V114 G373 W376 L379 T472 C475	T112-Y116 WeakPolarHBondContact O-CB 3.46Å; T112-Y116 PolarHBondContact O-N 2.94Å; S113-Y116 PolarHBondContact O-N 2.91Å; V114-Y116 PolarHBondContact O-N 3.14Å; Y116-G373 WeakPolarHBondContact OH-CA 3.39Å; Y116-G373 PolarHBondContact OH-O 2.97Å; Y116-W376 HydrophobicContact CE2-CE3 4.09Å; Y116-W376 HydrophobicContact CE2-CZ3 4.41Å; Y116-W376 WeakPolarHBondContact OH-CB 3.44Å; Y116-W376 VanDerWaalsContact OH-CE3 3.29Å; Y116-L379 HydrophobicContact CD1-CD2 3.65Å; Y116-L379 HydrophobicContact CD1-CG 4.48Å; Y116-L379 HydrophobicContact CE1-CD2 3.57Å; Y116-L379 HydrophobicContact CE1-CG 3.91Å; Y116-T472 HydrophobicContact CD2-CG2 3.95Å; Y116-T472 HydrophobicContact CE2-CG2 4.09Å; Y116-T472 PolarHBondContact O-OG1 2.95Å; Y116-T472 VanDerWaalsContact O-OG1 3.08Å; Y116-C475 HydrophobicContact CD2-CB 3.26Å; Y116-C475 VanDerWaalsContact CD2-SG 3.54Å; Y116-C475 HydrophobicContact CE2-CB 3.85Å; Y116-C475 HydrophobicContact CG-CB 3.7Å
117	A	95.1	Very high	92.9	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.033	8%	0.075	C	C	.	.	H	α-helix	trans	-73.8	-40.7	-178.6	0	0	0	0	0	113	S113 V114 G119 N122 S371 N403	S113-A117 PolarHBondContact O-N 2.84Å; S113-A117 VanDerWaalsContact O-N 3.14Å; V114-A117 PolarHBondContact O-N 3.04Å; A117-G119 PolarHBondContact O-N 3.22Å; A117-N122 PolarHBondContact O-OD1 2.89Å; A117-S371 CarbonylContact C-O 3.53Å; A117-S371 VanDerWaalsContact CA-O 3.3Å; A117-S371 WeakPolarHBondContact CA-O 3.47Å; A117-S371 WeakPolarHBondContact CB-O 3.33Å; A117-N403 HydrophobicContact CB-CB 3.98Å; A117-N403 PolarHBondContact O-OD1 2.93Å; A117-N403 VanDerWaalsContact O-OD1 3.11Å
118	V	94.9	Very high	92.5	Very high	5 Å²	5	10.3 Å²	10.3	3%	0.03	5%	0.053	C	C	.	.	S	Bend	trans	-82.1	84.3	177.3	-175.9	0	0	0	0	109.4	V114 N403 T406 L468	V114-V118 HydrophobicContact CG1-CG2 4.02Å; V114-V118 VanDerWaalsContact O-CB 3.23Å; V114-V118 WeakPolarHBondContact O-CB 3.38Å; V114-V118 WeakPolarHBondContact O-CG2 3.47Å; V114-V118 PolarHBondContact O-N 3.14Å; V118-N403 HydrophobicContact CG2-CB 4.21Å; V118-T406 HydrophobicContact CG1-CG2 3.57Å; V118-T406 HydrophobicContact CG2-CG2 4.47Å; V118-L468 HydrophobicContact CG1-CD2 3.86Å
119	G	91	Very high	92.3	Very high	4 Å²	4	10.8 Å²	10.8	4%	0.041	6%	0.056	C	C	.	.	S	Bend	trans	-108.5	-164.5	177.1	0	0	0	0	0	113.4	A117 G121 N122 Y196	A117-G119 PolarHBondContact O-N 3.22Å; G119-G121 PolarHBondContact O-N 3.34Å; G119-N122 PolarHBondContact N-OD1 3.37Å; G119-N122 WeakPolarHBondContact O-CB 3.31Å; G119-N122 PolarHBondContact O-N 2.84Å; G119-N122 PolarHBondContact O-OD1 3.05Å; G119-N122 VanDerWaalsContact O-OD1 3.11Å; G119-Y196 WeakPolarHBondContact CA-OH 3.45Å
120	L	89.8	Confident	92	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-61.2	-30.9	179.5	-61.3	168.7	0	0	0	112.7	N122 V123 W124 Y196 V199 L465 L468	L120-N122 PolarHBondContact O-N 3.47Å; L120-V123 PolarHBondContact O-N 3.46Å; L120-V123 VanDerWaalsContact O-N 3.08Å; L120-W124 HydrophobicContact CB-CD2 4.26Å; L120-W124 HydrophobicContact CB-CE3 4.13Å; L120-W124 HydrophobicContact CB-CH2 3.59Å; L120-W124 HydrophobicContact CB-CZ2 3.62Å; L120-W124 HydrophobicContact CB-CZ3 3.82Å; L120-W124 HydrophobicContact CD1-CH2 3.72Å; L120-W124 HydrophobicContact CD1-CZ2 4.16Å; L120-W124 HydrophobicContact CD1-CZ3 4.38Å; L120-W124 HydrophobicContact CD2-CH2 4.04Å; L120-W124 HydrophobicContact CD2-CZ3 3.87Å; L120-W124 HydrophobicContact CG-CH2 3.98Å; L120-W124 HydrophobicContact CG-CZ2 4.41Å; L120-W124 HydrophobicContact CG-CZ3 4.24Å; L120-W124 PolarHBondContact O-N 3.33Å; L120-Y196 HydrophobicContact CB-CE2 4.41Å; L120-Y196 HydrophobicContact CD1-CE1 4.28Å; L120-Y196 HydrophobicContact CD1-CE2 3.98Å; L120-Y196 HydrophobicContact CG-CE2 4.39Å; L120-Y196 PolarHBondContact N-OH 3.17Å; L120-Y196 VanDerWaalsContact N-OH 3.1Å; L120-V199 HydrophobicContact CD1-CB 4.22Å; L120-V199 HydrophobicContact CD1-CG1 3.55Å; L120-L465 HydrophobicContact CD2-CB 3.94Å; L120-L465 HydrophobicContact CD2-CD2 3.82Å; L120-L465 HydrophobicContact CD2-CG 4.41Å; L120-L465 WeakPolarHBondContact CD2-O 3.46Å; L120-L468 HydrophobicContact CD2-CB 4.36Å
121	G	88.1	Confident	91.5	Very high	9 Å²	9	10.7 Å²	10.7	9%	0.093	5%	0.053	C	C	.	.	H	α-helix	trans	-61.6	-27.1	178.1	0	0	0	0	0	114.1	G119 V123 R125 F126	G119-G121 PolarHBondContact O-N 3.34Å; G121-V123 VanDerWaalsContact C-N 3.29Å; G121-V123 PolarHBondContact O-N 3.26Å; G121-R125 CarbonylContact O-C 3.44Å; G121-R125 WeakPolarHBondContact O-CA 3.46Å; G121-R125 VanDerWaalsContact O-CB 3.27Å; G121-R125 WeakPolarHBondContact O-CB 3.33Å; G121-R125 PolarHBondContact O-N 3.02Å; G121-F126 PolarHBondContact O-N 2.85Å
122	N	93.1	Very high	91	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.011	6%	0.064	C	C	.	.	H	α-helix	trans	-69.4	-30.1	176.2	-57	68.1	0	0	0	111.7	A117 G119 L120 N403 S407	A117-N122 PolarHBondContact O-OD1 2.89Å; G119-N122 PolarHBondContact N-OD1 3.37Å; G119-N122 WeakPolarHBondContact O-CB 3.31Å; G119-N122 PolarHBondContact O-N 2.84Å; G119-N122 PolarHBondContact O-OD1 3.05Å; G119-N122 VanDerWaalsContact O-OD1 3.11Å; L120-N122 PolarHBondContact O-N 3.47Å; N122-N403 PolarHBondContact ND2-O 3.49Å; N122-N403 PolarHBondContact ND2-OD1 3.2Å; N122-S407 PolarHBondContact ND2-OG 3.08Å
123	V	89.8	Confident	90.8	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.018	7%	0.065	C	C	.	.	H	α-helix	trans	-90.9	-36.2	-174.9	-178.1	0	0	0	0	112.6	L120 G121 P127 A410 I414 Y444 F461 M464 L465 L468	L120-V123 PolarHBondContact O-N 3.46Å; L120-V123 VanDerWaalsContact O-N 3.08Å; G121-V123 VanDerWaalsContact C-N 3.29Å; G121-V123 PolarHBondContact O-N 3.26Å; V123-P127 WeakPolarHBondContact O-CG 3.04Å; V123-A410 HydrophobicContact CG2-CB 4.34Å; V123-I414 HydrophobicContact CG1-CD1 4Å; V123-I414 HydrophobicContact CG1-CG1 4.39Å; V123-I414 WeakPolarHBondContact O-CG1 3.42Å; V123-Y444 PolarHBondContact O-OH 3.42Å; V123-F461 HydrophobicContact CG1-CE2 4.42Å; V123-M464 HydrophobicContact CG1-CE 4.25Å; V123-L465 HydrophobicContact CG1-CD2 4.32Å; V123-L468 HydrophobicContact CG2-CD1 3.55Å
124	W	84.1	Confident	90.5	Very high	26 Å²	26	14.4 Å²	14.4	10%	0.098	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-36.8	179	61.8	69.6	0	0	0	115.2	L120 Y128 V199 L439 A440 F441 L465	L120-W124 HydrophobicContact CB-CD2 4.26Å; L120-W124 HydrophobicContact CB-CE3 4.13Å; L120-W124 HydrophobicContact CB-CH2 3.59Å; L120-W124 HydrophobicContact CB-CZ2 3.62Å; L120-W124 HydrophobicContact CB-CZ3 3.82Å; L120-W124 HydrophobicContact CD1-CH2 3.72Å; L120-W124 HydrophobicContact CD1-CZ2 4.16Å; L120-W124 HydrophobicContact CD1-CZ3 4.38Å; L120-W124 HydrophobicContact CD2-CH2 4.04Å; L120-W124 HydrophobicContact CD2-CZ3 3.87Å; L120-W124 HydrophobicContact CG-CH2 3.98Å; L120-W124 HydrophobicContact CG-CZ2 4.41Å; L120-W124 HydrophobicContact CG-CZ3 4.24Å; L120-W124 PolarHBondContact O-N 3.33Å; W124-Y128 WeakPolarHBondContact O-CB 3.35Å; W124-Y128 PolarHBondContact O-N 2.85Å; W124-V199 HydrophobicContact CH2-CG1 3.43Å; W124-V199 VanDerWaalsContact CH2-CG1 3.43Å; W124-V199 HydrophobicContact CZ2-CG1 3.9Å; W124-L439 HydrophobicContact CB-CD2 4.12Å; W124-L439 WeakPolarHBondContact O-CD2 3.34Å; W124-A440 HydrophobicContact CD2-CB 3.92Å; W124-A440 HydrophobicContact CE3-CB 3.24Å; W124-A440 HydrophobicContact CH2-CB 4.19Å; W124-A440 HydrophobicContact CZ3-CB 3.39Å; W124-F441 HydrophobicContact CH2-CE2 4.1Å; W124-F441 HydrophobicContact CH2-CZ 4.37Å; W124-F441 HydrophobicContact CZ3-CE2 4.36Å; W124-F441 HydrophobicContact CZ3-CZ 4.45Å; W124-L465 HydrophobicContact CE3-CD2 4.4Å; W124-L465 HydrophobicContact CZ3-CD1 4.25Å; W124-L465 HydrophobicContact CZ3-CD2 4.23Å
125	R	88.6	Confident	90.2	Very high	54 Å²	54	14.1 Å²	14.1	20%	0.204	6%	0.064	C	C	.	.	H	α-helix	trans	-81	-43.2	-171.4	-167.8	-179.6	173.7	139	0.9	111.7	G121 L129 Q367 D528	G121-R125 CarbonylContact O-C 3.44Å; G121-R125 WeakPolarHBondContact O-CA 3.46Å; G121-R125 VanDerWaalsContact O-CB 3.27Å; G121-R125 WeakPolarHBondContact O-CB 3.33Å; G121-R125 PolarHBondContact O-N 3.02Å; R125-L129 HydrophobicContact CG-CD1 4.13Å; R125-L129 WeakPolarHBondContact O-CG 3.45Å; R125-L129 PolarHBondContact O-N 3.46Å; R125-Q367 VanDerWaalsContact CG-OE1 3.29Å; R125-D528 IonicContact NH1-OD2 2.86Å
126	F	92.7	Very high	90.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.4	-49.8	177.5	176.1	-92.6	0	0	0	113.1	G121 Y128 L129 C130 F138 Y142 Y347 Q367 S407 V408	G121-F126 PolarHBondContact O-N 2.85Å; F126-Y128 VanDerWaalsContact C-N 3.27Å; F126-Y128 PolarHBondContact O-N 3.34Å; F126-L129 PolarHBondContact O-N 3.05Å; F126-C130 WeakPolarHBondContact O-CB 3.32Å; F126-C130 PolarHBondContact O-N 3.31Å; F126-F138 HydrophobicContact CD2-CE1 4.42Å; F126-F138 HydrophobicContact CE2-CD1 4.46Å; F126-F138 HydrophobicContact CE2-CE1 4.11Å; F126-Y142 HydrophobicContact CD2-CD2 4.39Å; F126-Y142 HydrophobicContact CD2-CE1 4.08Å; F126-Y142 AromaticContact CD2-CE2 3.92Å; F126-Y142 HydrophobicContact CD2-CE2 3.92Å; F126-Y142 AromaticContact CD2-CZ 3.75Å; F126-Y142 AromaticContact CE2-CD1 3.6Å; F126-Y142 HydrophobicContact CE2-CD1 3.6Å; F126-Y142 HydrophobicContact CE2-CD2 4.03Å; F126-Y142 AromaticContact CE2-CE1 3.38Å; F126-Y142 HydrophobicContact CE2-CE1 3.38Å; F126-Y142 AromaticContact CE2-CE2 3.86Å; F126-Y142 HydrophobicContact CE2-CE2 3.86Å; F126-Y142 AromaticContact CE2-CG 3.91Å; F126-Y142 HydrophobicContact CE2-CG 3.91Å; F126-Y142 AromaticContact CE2-CZ 3.54Å; F126-Y142 HydrophobicContact CZ-CD1 4.23Å; F126-Y142 HydrophobicContact CZ-CE1 4.05Å; F126-Y347 HydrophobicContact CE1-CE2 4.47Å; F126-Q367 HydrophobicContact CD2-CG 4.2Å; F126-S407 VanDerWaalsContact CD1-O 3.23Å; F126-S407 WeakPolarHBondContact CD1-O 3.4Å; F126-V408 HydrophobicContact CE1-CG2 4.11Å; F126-V408 HydrophobicContact CZ-CG2 3.96Å
127	P	89.9	Confident	90	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-61.4	-38.5	179.1	-25	37.8	0	0	0	111.9	V123 C130 Y131 I414 F415	V123-P127 WeakPolarHBondContact O-CG 3.04Å; P127-C130 PolarHBondContact O-N 3.27Å; P127-Y131 WeakPolarHBondContact O-CD1 3.21Å; P127-Y131 PolarHBondContact O-N 3.08Å; P127-I414 HydrophobicContact CB-CB 4.49Å; P127-I414 HydrophobicContact CB-CG2 3.96Å; P127-I414 HydrophobicContact CG-CB 4.49Å; P127-I414 HydrophobicContact CG-CG1 4.36Å; P127-I414 HydrophobicContact CG-CG2 4.42Å; P127-F415 HydrophobicContact CB-CD2 4.26Å; P127-F415 HydrophobicContact CB-CE2 3.73Å
128	Y	85.2	Confident	90	Very high	22 Å²	22	14.3 Å²	14.3	9%	0.086	7%	0.067	C	C	.	.	H	α-helix	trans	-57.1	-55.3	172.9	168.5	-119.4	0	0	0	112.9	W124 F126 C130 Y131 R132 H435	W124-Y128 WeakPolarHBondContact O-CB 3.35Å; W124-Y128 PolarHBondContact O-N 2.85Å; F126-Y128 VanDerWaalsContact C-N 3.27Å; F126-Y128 PolarHBondContact O-N 3.34Å; Y128-C130 VanDerWaalsContact C-N 3.28Å; Y128-C130 PolarHBondContact O-N 3.3Å; Y128-Y131 HydrophobicContact CD2-CD1 4.38Å; Y128-Y131 AromaticContact CD2-CE1 3.56Å; Y128-Y131 HydrophobicContact CD2-CE1 3.56Å; Y128-Y131 AromaticContact CD2-CZ 3.77Å; Y128-Y131 HydrophobicContact CE2-CE1 4.28Å; Y128-Y131 HydrophobicContact CG-CE1 4.49Å; Y128-Y131 VanDerWaalsContact O-CD1 3.22Å; Y128-Y131 WeakPolarHBondContact O-CD1 3.25Å; Y128-Y131 PolarHBondContact O-N 3.33Å; Y128-R132 HydrophobicContact CE2-CB 4.33Å; Y128-R132 WeakPolarHBondContact O-CB 3.36Å; Y128-R132 PolarHBondContact O-N 2.9Å; Y128-R132 VanDerWaalsContact O-N 3.09Å; Y128-R132 VanDerWaalsContact OH-CD 3.28Å; Y128-R132 WeakPolarHBondContact OH-CD 3.39Å; Y128-R132 PolarHBondContact OH-NH1 3.43Å; Y128-H435 AromaticContact CD2-ND1 3.81Å; Y128-H435 HydrophobicContact CE2-CB 4.06Å; Y128-H435 AromaticContact CE2-CD2 3.73Å; Y128-H435 AromaticContact CE2-CE1 3.39Å; Y128-H435 WeakPolarHBondContact CE2-CE1 3.1Å; Y128-H435 AromaticContact CE2-CG 3.39Å; Y128-H435 AromaticContact CE2-ND1 3.16Å; Y128-H435 WeakPolarHBondContact CE2-ND1 3.35Å; Y128-H435 AromaticContact CE2-NE2 3.67Å; Y128-H435 AromaticContact CZ-CD2 3.63Å; Y128-H435 AromaticContact CZ-CG 3.56Å; Y128-H435 AromaticContact CZ-ND1 3.84Å; Y128-H435 AromaticContact CZ-NE2 3.88Å; Y128-H435 PolarHBondContact OH-CD2 3.36Å; Y128-H435 PolarHBondContact OH-NE2 3.34Å
129	L	88.8	Confident	90	Very high	12 Å²	12	15.2 Å²	15.2	6%	0.063	7%	0.071	C	C	.	.	H	α-helix	trans	-63.4	-36.4	-179.9	-70.3	175.7	0	0	0	111.9	R125 F126 R132 N133 F138 D363 Q367	R125-L129 HydrophobicContact CG-CD1 4.13Å; R125-L129 WeakPolarHBondContact O-CG 3.45Å; R125-L129 PolarHBondContact O-N 3.46Å; F126-L129 PolarHBondContact O-N 3.05Å; L129-R132 PolarHBondContact O-N 3.37Å; L129-N133 VanDerWaalsContact O-CB 3.28Å; L129-N133 WeakPolarHBondContact O-CB 3.26Å; L129-N133 PolarHBondContact O-N 2.91Å; L129-F138 HydrophobicContact CB-CE1 4.06Å; L129-F138 HydrophobicContact CB-CZ 3.87Å; L129-D363 HydrophobicContact CD2-CB 4.33Å; L129-Q367 HydrophobicContact CD1-CB 3.76Å; L129-Q367 HydrophobicContact CD1-CG 4.03Å
130	C	90.6	Very high	90.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.7	-51.7	178.3	-158.4	0	0	0	0	111.5	F126 P127 Y128 G135 F138 Y347	F126-C130 WeakPolarHBondContact O-CB 3.32Å; F126-C130 PolarHBondContact O-N 3.31Å; P127-C130 PolarHBondContact O-N 3.27Å; Y128-C130 VanDerWaalsContact C-N 3.28Å; Y128-C130 PolarHBondContact O-N 3.3Å; C130-G135 VanDerWaalsContact O-CA 3.24Å; C130-G135 WeakPolarHBondContact O-CA 3.02Å; C130-G135 PolarHBondContact O-N 3.32Å; C130-G135 PolarHBondContact SG-O 2.89Å; C130-F138 HydrophobicContact CB-CD1 4.01Å; C130-Y347 HydrophobicContact CB-CD2 4.28Å; C130-Y347 HydrophobicContact CB-CE2 3.94Å
131	Y	84.9	Confident	90.3	Very high	24 Å²	24	19.8 Å²	19.8	9%	0.094	9%	0.09	C	C	.	.	H	α-helix	trans	-70.1	-41	-179.6	88.1	-105.5	0	0	0	112.4	P127 Y128 N133 G134 Y346 F415 A433 H435	P127-Y131 WeakPolarHBondContact O-CD1 3.21Å; P127-Y131 PolarHBondContact O-N 3.08Å; Y128-Y131 HydrophobicContact CD2-CD1 4.38Å; Y128-Y131 AromaticContact CD2-CE1 3.56Å; Y128-Y131 HydrophobicContact CD2-CE1 3.56Å; Y128-Y131 AromaticContact CD2-CZ 3.77Å; Y128-Y131 HydrophobicContact CE2-CE1 4.28Å; Y128-Y131 HydrophobicContact CG-CE1 4.49Å; Y128-Y131 VanDerWaalsContact O-CD1 3.22Å; Y128-Y131 WeakPolarHBondContact O-CD1 3.25Å; Y128-Y131 PolarHBondContact O-N 3.33Å; Y131-N133 PolarHBondContact O-N 3.03Å; Y131-G134 PolarHBondContact O-N 3.02Å; Y131-Y346 AromaticContact CD2-CE1 3.83Å; Y131-Y346 HydrophobicContact CD2-CE1 3.83Å; Y131-Y346 WeakPolarHBondContact CD2-OH 3.39Å; Y131-Y346 AromaticContact CG-CE1 3.91Å; Y131-Y346 HydrophobicContact CG-CE1 3.91Å; Y131-F415 HydrophobicContact CD1-CE1 4.42Å; Y131-F415 AromaticContact CD1-CZ 3.69Å; Y131-F415 HydrophobicContact CD1-CZ 3.69Å; Y131-F415 HydrophobicContact CG-CZ 4.1Å; Y131-A433 HydrophobicContact CD1-CB 4.45Å; Y131-A433 HydrophobicContact CE1-CB 3.68Å; Y131-A433 PolarHBondContact OH-O 2.91Å; Y131-H435 PolarHBondContact OH-CE1 3.48Å; Y131-H435 PolarHBondContact OH-ND1 3.49Å
132	R	86.2	Confident	90.6	Very high	109 Å²	109	19.3 Å²	19.3	41%	0.411	9%	0.086	S	C	.	.	H	α-helix	trans	-61	-34.2	-178.3	-177.1	174.3	-174.2	-172.1	1.7	112.4	Y128 L129	Y128-R132 HydrophobicContact CE2-CB 4.33Å; Y128-R132 WeakPolarHBondContact O-CB 3.36Å; Y128-R132 PolarHBondContact O-N 2.9Å; Y128-R132 VanDerWaalsContact O-N 3.09Å; Y128-R132 VanDerWaalsContact OH-CD 3.28Å; Y128-R132 WeakPolarHBondContact OH-CD 3.39Å; Y128-R132 PolarHBondContact OH-NH1 3.43Å; L129-R132 PolarHBondContact O-N 3.37Å
133	N	90.6	Very high	90.8	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.032	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	28.9	-173	-65.6	-29.1	0	0	0	113.3	L129 Y131 F138 V360 D363	L129-N133 VanDerWaalsContact O-CB 3.28Å; L129-N133 WeakPolarHBondContact O-CB 3.26Å; L129-N133 PolarHBondContact O-N 2.91Å; Y131-N133 PolarHBondContact O-N 3.03Å; N133-F138 HydrophobicContact CB-CB 4.31Å; N133-F138 HydrophobicContact CB-CD2 3.44Å; N133-F138 VanDerWaalsContact CB-CD2 3.44Å; N133-F138 HydrophobicContact CB-CE2 4Å; N133-F138 HydrophobicContact CB-CG 4.12Å; N133-V360 HydrophobicContact CB-CB 4.36Å; N133-V360 HydrophobicContact CB-CG1 4.06Å; N133-V360 HydrophobicContact CB-CG2 3.79Å; N133-D363 VanDerWaalsContact ND2-CB 3.29Å; N133-D363 WeakPolarHBondContact ND2-CB 3.41Å; N133-D363 PolarHBondContact ND2-OD2 3.29Å
134	G	89.4	Confident	91	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.9	26.3	168.5	0	0	0	0	0	116	Y131 G136 A137 Q351	Y131-G134 PolarHBondContact O-N 3.02Å; G134-G136 PolarHBondContact O-N 3Å; G134-A137 WeakPolarHBondContact O-CB 3.22Å; G134-A137 PolarHBondContact O-N 3.34Å; G134-A137 VanDerWaalsContact O-N 3.15Å; G134-Q351 PolarHBondContact O-N 3.37Å
135	G	91.2	Very high	91.5	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.031	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	60.1	-127.9	176.8	0	0	0	0	0	111.7	C130 A137 F138 Y347	C130-G135 VanDerWaalsContact O-CA 3.24Å; C130-G135 WeakPolarHBondContact O-CA 3.02Å; C130-G135 PolarHBondContact O-N 3.32Å; C130-G135 PolarHBondContact SG-O 2.89Å; G135-A137 PolarHBondContact O-N 2.96Å; G135-A137 VanDerWaalsContact O-N 3.09Å; G135-F138 WeakPolarHBondContact O-CB 3.22Å; G135-F138 PolarHBondContact O-N 3.22Å; G135-F138 VanDerWaalsContact O-N 3.07Å; G135-Y347 CarbonylContact C-O 3.59Å; G135-Y347 VanDerWaalsContact C-O 3.28Å; G135-Y347 WeakPolarHBondContact CA-O 3.17Å
136	G	92.3	Very high	91.8	Very high	17 Å²	17	22.7 Å²	22.7	18%	0.175	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23	179.3	0	0	0	0	0	114.2	G134 F138 M139 Y347 L348 T349	G134-G136 PolarHBondContact O-N 3Å; G136-F138 VanDerWaalsContact C-N 3.28Å; G136-F138 PolarHBondContact O-N 3.46Å; G136-M139 WeakPolarHBondContact O-CB 3.31Å; G136-M139 PolarHBondContact O-N 2.95Å; G136-Y347 PolarHBondContact N-O 2.9Å; G136-Y347 VanDerWaalsContact N-O 3.13Å; G136-L348 WeakPolarHBondContact CA-O 3.42Å; G136-L348 PolarHBondContact N-O 2.92Å; G136-T349 PolarHBondContact N-O 3.45Å
137	A	94.7	Very high	92	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-67	-28.8	177.7	0	0	0	0	0	112.3	G134 G135 M139 F140 P141 P350 W352 I355	G134-A137 WeakPolarHBondContact O-CB 3.22Å; G134-A137 PolarHBondContact O-N 3.34Å; G134-A137 VanDerWaalsContact O-N 3.15Å; G135-A137 PolarHBondContact O-N 2.96Å; G135-A137 VanDerWaalsContact O-N 3.09Å; A137-M139 PolarHBondContact O-N 3.29Å; A137-F140 PolarHBondContact O-N 2.83Å; A137-P141 WeakPolarHBondContact O-CD 3.39Å; A137-P350 HydrophobicContact CB-CB 3.94Å; A137-W352 HydrophobicContact CB-CD2 4.43Å; A137-W352 HydrophobicContact CB-CE3 4.11Å; A137-W352 HydrophobicContact CB-CZ3 4.36Å; A137-I355 HydrophobicContact CB-CG2 4.03Å
138	F	95.1	Very high	92.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25.9	175.6	179.6	-105.8	0	0	0	113.1	F126 L129 C130 N133 G135 G136 F140 P141 Y142 V360 D363 A364	F126-F138 HydrophobicContact CD2-CE1 4.42Å; F126-F138 HydrophobicContact CE2-CD1 4.46Å; F126-F138 HydrophobicContact CE2-CE1 4.11Å; L129-F138 HydrophobicContact CB-CE1 4.06Å; L129-F138 HydrophobicContact CB-CZ 3.87Å; C130-F138 HydrophobicContact CB-CD1 4.01Å; N133-F138 HydrophobicContact CB-CB 4.31Å; N133-F138 HydrophobicContact CB-CD2 3.44Å; N133-F138 VanDerWaalsContact CB-CD2 3.44Å; N133-F138 HydrophobicContact CB-CE2 4Å; N133-F138 HydrophobicContact CB-CG 4.12Å; G135-F138 WeakPolarHBondContact O-CB 3.22Å; G135-F138 PolarHBondContact O-N 3.22Å; G135-F138 VanDerWaalsContact O-N 3.07Å; G136-F138 VanDerWaalsContact C-N 3.28Å; G136-F138 PolarHBondContact O-N 3.46Å; F138-F140 PolarHBondContact O-N 2.91Å; F138-P141 WeakPolarHBondContact O-CD 2.99Å; F138-P141 VanDerWaalsContact O-CG 3.31Å; F138-P141 WeakPolarHBondContact O-CG 3.26Å; F138-Y142 HydrophobicContact CE1-CD2 4.38Å; F138-Y142 HydrophobicContact CE1-CG 4.47Å; F138-Y142 VanDerWaalsContact O-CB 3.26Å; F138-Y142 WeakPolarHBondContact O-CB 3.34Å; F138-Y142 PolarHBondContact O-N 2.95Å; F138-V360 HydrophobicContact CD2-CG1 4.11Å; F138-D363 HydrophobicContact CE2-CB 4.34Å; F138-A364 HydrophobicContact CD2-CB 4.43Å; F138-A364 HydrophobicContact CE2-CB 3.68Å; F138-A364 HydrophobicContact CZ-CB 3.99Å
139	M	93.6	Very high	92.6	Very high	24 Å²	24	28.4 Å²	28.4	12%	0.118	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-30.1	178.6	-60.5	-168.8	-179.1	0	0	111.9	G136 A137 Y142 F143 Y347 L348 V408	G136-M139 WeakPolarHBondContact O-CB 3.31Å; G136-M139 PolarHBondContact O-N 2.95Å; A137-M139 PolarHBondContact O-N 3.29Å; M139-Y142 PolarHBondContact O-N 3.29Å; M139-F143 HydrophobicContact CB-CD2 4.17Å; M139-F143 HydrophobicContact CB-CE2 3.78Å; M139-F143 WeakPolarHBondContact O-CB 3.45Å; M139-F143 WeakPolarHBondContact O-CD2 3.48Å; M139-F143 VanDerWaalsContact O-CG 3.32Å; M139-F143 WeakPolarHBondContact O-CG 3.37Å; M139-F143 PolarHBondContact O-N 2.74Å; M139-Y347 HydrophobicContact CE-CE1 4.08Å; M139-Y347 HydrophobicContact CE-CE2 3.72Å; M139-Y347 VanDerWaalsContact CE-CZ 3.46Å; M139-Y347 WeakPolarHBondContact CE-OH 3.2Å; M139-L348 HydrophobicContact CE-CD2 3.89Å; M139-V408 HydrophobicContact CE-CG1 4.43Å
140	F	94.4	Very high	92.9	Very high	103 Å²	103	27.9 Å²	27.9	45%	0.452	13%	0.13	S	C	.	.	H	α-helix	trans	-62.3	-60.8	177.8	-179.9	-99.8	0	0	0	113.3	A137 F138 Y142 F143 I144 W361	A137-F140 PolarHBondContact O-N 2.83Å; F138-F140 PolarHBondContact O-N 2.91Å; F140-Y142 PolarHBondContact O-N 2.95Å; F140-F143 PolarHBondContact O-N 3.13Å; F140-I144 HydrophobicContact CE1-CG1 4.43Å; F140-I144 HydrophobicContact CE2-CG1 4.44Å; F140-I144 HydrophobicContact CZ-CG1 4.29Å; F140-I144 WeakPolarHBondContact O-CG1 3.12Å; F140-I144 PolarHBondContact O-N 3.28Å; F140-I144 VanDerWaalsContact O-N 3.08Å; F140-W361 HydrophobicContact CD1-CH2 4.16Å; F140-W361 HydrophobicContact CD1-CZ2 4.37Å; F140-W361 AromaticContact CE1-CH2 3.88Å; F140-W361 HydrophobicContact CE1-CH2 3.88Å; F140-W361 HydrophobicContact CE1-CZ2 4.22Å
141	P	93.9	Very high	93.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-32.7	176.1	25.9	-34.4	0	0	0	112.1	A137 F138 I144 M145 I355 V360 W361 A364	A137-P141 WeakPolarHBondContact O-CD 3.39Å; F138-P141 WeakPolarHBondContact O-CD 2.99Å; F138-P141 VanDerWaalsContact O-CG 3.31Å; F138-P141 WeakPolarHBondContact O-CG 3.26Å; P141-I144 PolarHBondContact O-N 3.49Å; P141-M145 WeakPolarHBondContact O-CB 3.38Å; P141-M145 WeakPolarHBondContact O-CG 3.39Å; P141-M145 PolarHBondContact O-N 2.9Å; P141-I355 HydrophobicContact CG-CG2 4.48Å; P141-V360 HydrophobicContact CG-CG1 4.03Å; P141-W361 HydrophobicContact CB-CD2 3.61Å; P141-W361 HydrophobicContact CB-CE3 3.44Å; P141-W361 VanDerWaalsContact CB-CE3 3.44Å; P141-W361 HydrophobicContact CB-CG 4.27Å; P141-W361 HydrophobicContact CB-CH2 3.96Å; P141-W361 HydrophobicContact CB-CZ2 4.1Å; P141-W361 HydrophobicContact CB-CZ3 3.63Å; P141-A364 HydrophobicContact CB-CB 3.97Å; P141-A364 HydrophobicContact CG-CB 4.25Å
142	Y	94.8	Very high	93.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.1	-48.1	175.9	179.8	-108.9	0	0	0	113	F126 F138 M139 F140 M145 L146 Q367 I368 C404	F126-Y142 HydrophobicContact CD2-CD2 4.39Å; F126-Y142 HydrophobicContact CD2-CE1 4.08Å; F126-Y142 AromaticContact CD2-CE2 3.92Å; F126-Y142 HydrophobicContact CD2-CE2 3.92Å; F126-Y142 AromaticContact CD2-CZ 3.75Å; F126-Y142 AromaticContact CE2-CD1 3.6Å; F126-Y142 HydrophobicContact CE2-CD1 3.6Å; F126-Y142 HydrophobicContact CE2-CD2 4.03Å; F126-Y142 AromaticContact CE2-CE1 3.38Å; F126-Y142 HydrophobicContact CE2-CE1 3.38Å; F126-Y142 AromaticContact CE2-CE2 3.86Å; F126-Y142 HydrophobicContact CE2-CE2 3.86Å; F126-Y142 AromaticContact CE2-CG 3.91Å; F126-Y142 HydrophobicContact CE2-CG 3.91Å; F126-Y142 AromaticContact CE2-CZ 3.54Å; F126-Y142 HydrophobicContact CZ-CD1 4.23Å; F126-Y142 HydrophobicContact CZ-CE1 4.05Å; F138-Y142 HydrophobicContact CE1-CD2 4.38Å; F138-Y142 HydrophobicContact CE1-CG 4.47Å; F138-Y142 VanDerWaalsContact O-CB 3.26Å; F138-Y142 WeakPolarHBondContact O-CB 3.34Å; F138-Y142 PolarHBondContact O-N 2.95Å; M139-Y142 PolarHBondContact O-N 3.29Å; F140-Y142 PolarHBondContact O-N 2.95Å; Y142-M145 PolarHBondContact O-N 3.1Å; Y142-L146 PolarHBondContact O-N 2.99Å; Y142-Q367 HydrophobicContact CD2-CG 4.44Å; Y142-Q367 HydrophobicContact CE2-CB 4.4Å; Y142-Q367 HydrophobicContact CE2-CG 3.88Å; Y142-I368 HydrophobicContact CD2-CD1 3.67Å; Y142-I368 HydrophobicContact CD2-CG1 3.76Å; Y142-I368 HydrophobicContact CE1-CD1 4.36Å; Y142-I368 HydrophobicContact CE2-CD1 3.22Å; Y142-I368 HydrophobicContact CE2-CG1 3.68Å; Y142-I368 HydrophobicContact CG-CD1 4.38Å; Y142-C404 WeakPolarHBondContact CE1-SG 3.32Å
143	F	95.5	Very high	94.2	Very high	85 Å²	85	22.4 Å²	22.4	37%	0.373	11%	0.111	S	C	.	.	H	α-helix	trans	-67.7	-35.8	176.1	-67.4	-49.8	0	0	0	112.7	M139 F140 L146 I147 C404 V408	M139-F143 HydrophobicContact CB-CD2 4.17Å; M139-F143 HydrophobicContact CB-CE2 3.78Å; M139-F143 WeakPolarHBondContact O-CB 3.45Å; M139-F143 WeakPolarHBondContact O-CD2 3.48Å; M139-F143 VanDerWaalsContact O-CG 3.32Å; M139-F143 WeakPolarHBondContact O-CG 3.37Å; M139-F143 PolarHBondContact O-N 2.74Å; F140-F143 PolarHBondContact O-N 3.13Å; F143-L146 WeakPolarHBondContact O-CB 3.49Å; F143-L146 PolarHBondContact O-N 3.01Å; F143-I147 WeakPolarHBondContact O-CB 3.48Å; F143-I147 VanDerWaalsContact O-CG1 3.3Å; F143-I147 WeakPolarHBondContact O-CG1 3.3Å; F143-I147 PolarHBondContact O-N 2.98Å; F143-C404 VanDerWaalsContact CE1-SG 3.52Å; F143-V408 HydrophobicContact CZ-CG2 4.47Å
144	I	94.9	Very high	94.5	Very high	51 Å²	51	22.1 Å²	22.1	26%	0.262	11%	0.109	S	C	.	.	H	α-helix	trans	-62.1	-46	173.7	-66.9	-66.1	0	0	0	110.4	F140 P141 L146 I147 F148 W361	F140-I144 HydrophobicContact CE1-CG1 4.43Å; F140-I144 HydrophobicContact CE2-CG1 4.44Å; F140-I144 HydrophobicContact CZ-CG1 4.29Å; F140-I144 WeakPolarHBondContact O-CG1 3.12Å; F140-I144 PolarHBondContact O-N 3.28Å; F140-I144 VanDerWaalsContact O-N 3.08Å; P141-I144 PolarHBondContact O-N 3.49Å; I144-L146 VanDerWaalsContact C-N 3.34Å; I144-L146 PolarHBondContact O-N 2.78Å; I144-I147 PolarHBondContact O-N 2.99Å; I144-F148 HydrophobicContact CD1-CE2 4.2Å; I144-F148 HydrophobicContact CG2-CD2 3.97Å; I144-F148 HydrophobicContact CG2-CE2 4.46Å; I144-F148 WeakPolarHBondContact O-CD2 3.11Å; I144-F148 PolarHBondContact O-N 2.94Å; I144-W361 HydrophobicContact CB-CZ3 4.2Å; I144-W361 HydrophobicContact CG2-CZ3 3.96Å
145	M	93.8	Very high	94.9	Very high	11 Å²	11	22.1 Å²	22.1	5%	0.054	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-36	176.3	-70.1	-65.4	170.1	0	0	112.5	P141 Y142 C149 G150 W361 A364 A365 I368 I583 I587	P141-M145 WeakPolarHBondContact O-CB 3.38Å; P141-M145 WeakPolarHBondContact O-CG 3.39Å; P141-M145 PolarHBondContact O-N 2.9Å; Y142-M145 PolarHBondContact O-N 3.1Å; M145-C149 WeakPolarHBondContact O-CA 3.39Å; M145-C149 WeakPolarHBondContact O-CB 3.45Å; M145-C149 PolarHBondContact O-N 2.97Å; M145-G150 PolarHBondContact O-N 3.1Å; M145-W361 HydrophobicContact CE-CE3 3.82Å; M145-A364 HydrophobicContact CG-CB 4.5Å; M145-A365 HydrophobicContact CB-CB 4.49Å; M145-A365 HydrophobicContact CE-CB 4.28Å; M145-A365 HydrophobicContact CG-CB 3.91Å; M145-A365 HydrophobicContact SD-CB 3.69Å; M145-I368 HydrophobicContact CB-CG1 4Å; M145-I583 HydrophobicContact CE-CG2 3.84Å; M145-I583 HydrophobicContact SD-CG2 3.57Å; M145-I583 VanDerWaalsContact SD-CG2 3.57Å; M145-I587 HydrophobicContact SD-CD1 4.48Å
146	L	95.5	Very high	95.2	Very high	8 Å²	8	22 Å²	22	4%	0.042	11%	0.108	C	C	.	.	I	π-helix	trans	-60.9	-48.9	172	-179.4	63.8	0	0	0	111.8	Y142 F143 I144 G150 I151 I368 L372 C404	Y142-L146 PolarHBondContact O-N 2.99Å; F143-L146 WeakPolarHBondContact O-CB 3.49Å; F143-L146 PolarHBondContact O-N 3.01Å; I144-L146 VanDerWaalsContact C-N 3.34Å; I144-L146 PolarHBondContact O-N 2.78Å; L146-G150 WeakPolarHBondContact O-CA 3.44Å; L146-G150 PolarHBondContact O-N 3.19Å; L146-I151 HydrophobicContact CD1-CD1 4.35Å; L146-I151 HydrophobicContact CD1-CG1 3.95Å; L146-I151 HydrophobicContact CG-CD1 3.98Å; L146-I151 HydrophobicContact CG-CG1 4.09Å; L146-I151 PolarHBondContact O-N 2.67Å; L146-I368 HydrophobicContact CB-CD1 3.68Å; L146-I368 HydrophobicContact CD1-CD1 3.96Å; L146-I368 HydrophobicContact CG-CD1 4.36Å; L146-L372 HydrophobicContact CD1-CD1 4.09Å; L146-C404 HydrophobicContact CD2-CB 3.62Å; L146-C404 VanDerWaalsContact CD2-SG 3.59Å
147	I	96.6	Very high	95.4	Very high	73 Å²	73	21.1 Å²	21.1	37%	0.374	10%	0.099	S	C	.	.	I	π-helix	trans	-70.1	-47.3	-174.4	-70.3	166.7	0	0	0	111.3	F143 I144 P152 F571	F143-I147 WeakPolarHBondContact O-CB 3.48Å; F143-I147 VanDerWaalsContact O-CG1 3.3Å; F143-I147 WeakPolarHBondContact O-CG1 3.3Å; F143-I147 PolarHBondContact O-N 2.98Å; I144-I147 PolarHBondContact O-N 2.99Å; I147-P152 WeakPolarHBondContact O-CD 3.35Å; I147-P152 WeakPolarHBondContact O-CG 3.39Å; I147-F571 HydrophobicContact CG2-CE2 4.21Å; I147-F571 HydrophobicContact CG2-CZ 3.69Å; I147-F571 WeakPolarHBondContact O-CZ 3.47Å
148	F	95.5	Very high	95.6	Very high	70 Å²	70	21.1 Å²	21.1	31%	0.307	10%	0.099	S	C	.	.	I	π-helix	trans	-93.8	-14.9	-171.4	-68.3	-78	0	0	0	115	I144 F571 V579 S580 I583	I144-F148 HydrophobicContact CD1-CE2 4.2Å; I144-F148 HydrophobicContact CG2-CD2 3.97Å; I144-F148 HydrophobicContact CG2-CE2 4.46Å; I144-F148 WeakPolarHBondContact O-CD2 3.11Å; I144-F148 PolarHBondContact O-N 2.94Å; F148-F571 HydrophobicContact CD1-CE2 4.1Å; F148-F571 HydrophobicContact CD1-CZ 4.35Å; F148-F571 AromaticContact CE1-CE2 3.88Å; F148-F571 HydrophobicContact CE1-CE2 3.88Å; F148-V579 HydrophobicContact CB-CG1 3.98Å; F148-V579 HydrophobicContact CD1-CG1 3.93Å; F148-V579 HydrophobicContact CG-CG1 4.25Å; F148-S580 PolarHBondContact O-OG 3.03Å; F148-I583 HydrophobicContact CB-CD1 3.99Å
149	C	92.9	Very high	95.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-123.7	-57	174.7	-74.4	0	0	0	0	112.7	M145 P152 L153 F369 I583	M145-C149 WeakPolarHBondContact O-CA 3.39Å; M145-C149 WeakPolarHBondContact O-CB 3.45Å; M145-C149 PolarHBondContact O-N 2.97Å; C149-P152 WeakPolarHBondContact O-CD 3.49Å; C149-L153 WeakPolarHBondContact O-CB 3.42Å; C149-L153 WeakPolarHBondContact O-CG 3.43Å; C149-L153 PolarHBondContact O-N 2.79Å; C149-F369 HydrophobicContact CB-CZ 4.43Å; C149-I583 VanDerWaalsContact SG-CB 3.52Å; C149-I583 WeakPolarHBondContact SG-CG2 3.46Å
150	G	94.9	Very high	95.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	9%	0.094	C	C	.	.	I	π-helix	trans	-55.3	-65.4	-172.4	0	0	0	0	0	113.7	M145 L146 L153 F154 L372	M145-G150 PolarHBondContact O-N 3.1Å; L146-G150 WeakPolarHBondContact O-CA 3.44Å; L146-G150 PolarHBondContact O-N 3.19Å; G150-L153 PolarHBondContact O-N 3.49Å; G150-F154 VanDerWaalsContact O-CB 3.3Å; G150-F154 WeakPolarHBondContact O-CB 3.41Å; G150-F154 PolarHBondContact O-N 3.42Å; G150-L372 VanDerWaalsContact CA-CD1 3.42Å
151	I	96.8	Very high	95.8	Very high	18 Å²	18	15.2 Å²	15.2	9%	0.092	7%	0.073	C	C	.	.	H	α-helix	trans	-59.4	-45.2	-178.3	-63.6	169.3	0	0	0	111.7	L146 F155 V397 F572	L146-I151 HydrophobicContact CD1-CD1 4.35Å; L146-I151 HydrophobicContact CD1-CG1 3.95Å; L146-I151 HydrophobicContact CG-CD1 3.98Å; L146-I151 HydrophobicContact CG-CG1 4.09Å; L146-I151 PolarHBondContact O-N 2.67Å; I151-F155 WeakPolarHBondContact O-CB 3.23Å; I151-F155 PolarHBondContact O-N 3.33Å; I151-V397 HydrophobicContact CG2-CG2 4.14Å; I151-F572 HydrophobicContact CG2-CE1 4Å; I151-F572 HydrophobicContact CG2-CZ 4.03Å
152	P	97	Very high	96	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.1	-51.7	173.3	-29.5	36.5	0	0	0	113.6	I147 C149 F154 F155 M156 F571 F572 C575 W576	I147-P152 WeakPolarHBondContact O-CD 3.35Å; I147-P152 WeakPolarHBondContact O-CG 3.39Å; C149-P152 WeakPolarHBondContact O-CD 3.49Å; P152-F154 PolarHBondContact O-N 3.38Å; P152-F155 PolarHBondContact O-N 3.1Å; P152-M156 PolarHBondContact O-N 3.49Å; P152-F571 HydrophobicContact CG-CE1 4.26Å; P152-F572 HydrophobicContact CB-CD1 4.36Å; P152-F572 HydrophobicContact CG-CD1 4.49Å; P152-F572 HydrophobicContact CG-CE1 4.5Å; P152-C575 HydrophobicContact CB-CB 3.87Å; P152-C575 HydrophobicContact CG-CB 3.7Å; P152-W576 VanDerWaalsContact C-NE1 3.33Å; P152-W576 PolarHBondContact O-NE1 3.36Å
153	L	95.8	Very high	96	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67	-39.2	-177.3	-64.6	174.7	0	0	0	112	C149 G150 F155 M156 E157 F369 C544 I584	C149-L153 WeakPolarHBondContact O-CB 3.42Å; C149-L153 WeakPolarHBondContact O-CG 3.43Å; C149-L153 PolarHBondContact O-N 2.79Å; G150-L153 PolarHBondContact O-N 3.49Å; L153-F155 VanDerWaalsContact C-N 3.33Å; L153-F155 PolarHBondContact O-N 3Å; L153-M156 HydrophobicContact CD2-CE 4.47Å; L153-M156 WeakPolarHBondContact O-CB 3.38Å; L153-M156 PolarHBondContact O-N 3.16Å; L153-M156 VanDerWaalsContact O-N 3.13Å; L153-E157 PolarHBondContact O-N 3.1Å; L153-F369 HydrophobicContact CD1-CD1 4.5Å; L153-F369 HydrophobicContact CD1-CE1 3.34Å; L153-F369 HydrophobicContact CD1-CZ 3.5Å; L153-F369 VanDerWaalsContact CD1-CZ 3.5Å; L153-C544 WeakPolarHBondContact CD2-SG 3.38Å; L153-I584 HydrophobicContact CD1-CD1 3.85Å; L153-I584 HydrophobicContact CD1-CG1 4.39Å; L153-I584 HydrophobicContact CD2-CD1 4.12Å
154	F	96.8	Very high	95.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.3	-46.1	173.7	-157.7	-83.6	0	0	0	111.5	G150 P152 E157 L158 L372 L379 I399	G150-F154 VanDerWaalsContact O-CB 3.3Å; G150-F154 WeakPolarHBondContact O-CB 3.41Å; G150-F154 PolarHBondContact O-N 3.42Å; P152-F154 PolarHBondContact O-N 3.38Å; F154-E157 PolarHBondContact O-N 3.39Å; F154-L158 HydrophobicContact CD1-CD1 3.9Å; F154-L158 HydrophobicContact CD1-CG 3.98Å; F154-L158 HydrophobicContact CE1-CD1 3.69Å; F154-L158 HydrophobicContact CE1-CD2 4.28Å; F154-L158 HydrophobicContact CE1-CG 3.96Å; F154-L158 WeakPolarHBondContact O-CG 3.4Å; F154-L158 PolarHBondContact O-N 3.38Å; F154-L372 HydrophobicContact CD2-CB 4.01Å; F154-L372 HydrophobicContact CD2-CD1 4.47Å; F154-L372 HydrophobicContact CD2-CD2 4.01Å; F154-L372 HydrophobicContact CD2-CG 4.39Å; F154-L372 HydrophobicContact CE2-CB 4.37Å; F154-L372 HydrophobicContact CE2-CD2 4.14Å; F154-L372 WeakPolarHBondContact CE2-O 3.34Å; F154-L379 HydrophobicContact CD2-CD1 3.38Å; F154-L379 HydrophobicContact CD2-CD2 4.1Å; F154-L379 HydrophobicContact CD2-CG 4.39Å; F154-L379 HydrophobicContact CE1-CD2 4.24Å; F154-L379 HydrophobicContact CE2-CD1 3.58Å; F154-L379 HydrophobicContact CE2-CD2 3.38Å; F154-L379 HydrophobicContact CE2-CG 4.13Å; F154-L379 HydrophobicContact CG-CD1 3.92Å; F154-L379 HydrophobicContact CZ-CD1 4.24Å; F154-L379 HydrophobicContact CZ-CD2 3.45Å; F154-L379 VanDerWaalsContact CZ-CD2 3.45Å; F154-L379 HydrophobicContact CZ-CG 4.49Å; F154-I399 HydrophobicContact CE1-CB 3.96Å; F154-I399 HydrophobicContact CE1-CD1 4.05Å; F154-I399 HydrophobicContact CE1-CG2 3.96Å; F154-I399 HydrophobicContact CE2-CG2 4.35Å; F154-I399 HydrophobicContact CZ-CB 4.01Å; F154-I399 HydrophobicContact CZ-CD1 4.45Å; F154-I399 HydrophobicContact CZ-CG2 3.47Å; F154-I399 VanDerWaalsContact CZ-CG2 3.47Å
155	F	97.8	Very high	95.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.1	-38.4	175.4	-177.8	-144.8	0	0	0	112.3	I151 P152 L153 S159 Y393 S396 I560 L564 F572 W576	I151-F155 WeakPolarHBondContact O-CB 3.23Å; I151-F155 PolarHBondContact O-N 3.33Å; P152-F155 PolarHBondContact O-N 3.1Å; L153-F155 VanDerWaalsContact C-N 3.33Å; L153-F155 PolarHBondContact O-N 3Å; F155-S159 VanDerWaalsContact O-CB 3.31Å; F155-S159 WeakPolarHBondContact O-CB 3.34Å; F155-S159 PolarHBondContact O-N 3.41Å; F155-S159 PolarHBondContact O-OG 3.17Å; F155-Y393 HydrophobicContact CD1-CD2 4.34Å; F155-Y393 HydrophobicContact CE1-CD2 4.1Å; F155-Y393 VanDerWaalsContact CE2-CA 3.47Å; F155-Y393 HydrophobicContact CZ-CD2 4.25Å; F155-Y393 HydrophobicContact CZ-CG 4.4Å; F155-S396 WeakPolarHBondContact CB-OG 3.43Å; F155-I560 HydrophobicContact CZ-CG2 4.32Å; F155-L564 HydrophobicContact CE2-CD1 4.2Å; F155-L564 HydrophobicContact CZ-CD1 3.91Å; F155-F572 HydrophobicContact CB-CD1 4.41Å; F155-F572 HydrophobicContact CB-CE1 4.14Å; F155-F572 AromaticContact CD1-CD1 3.56Å; F155-F572 HydrophobicContact CD1-CD1 3.56Å; F155-F572 AromaticContact CD1-CE1 3.81Å; F155-F572 HydrophobicContact CD1-CE1 3.81Å; F155-F572 AromaticContact CD1-CG 3.98Å; F155-F572 HydrophobicContact CD1-CG 3.98Å; F155-F572 HydrophobicContact CD1-CZ 4.45Å; F155-F572 HydrophobicContact CE1-CD1 4.36Å; F155-F572 HydrophobicContact CE1-CG 4.33Å; F155-F572 HydrophobicContact CG-CD1 4.46Å; F155-F572 HydrophobicContact CG-CE1 4.39Å; F155-W576 HydrophobicContact CB-CZ2 4.14Å; F155-W576 AromaticContact CD1-CH2 3.52Å; F155-W576 HydrophobicContact CD1-CH2 3.52Å; F155-W576 AromaticContact CD1-CZ2 3.29Å; F155-W576 HydrophobicContact CD1-CZ2 3.29Å; F155-W576 AromaticContact CE1-CH2 3.48Å; F155-W576 HydrophobicContact CE1-CH2 3.48Å; F155-W576 VanDerWaalsContact CE1-CH2 3.48Å; F155-W576 AromaticContact CE1-CZ2 3.8Å; F155-W576 HydrophobicContact CE1-CZ2 3.8Å; F155-W576 HydrophobicContact CG-CH2 4.32Å; F155-W576 AromaticContact CG-CZ2 3.87Å; F155-W576 HydrophobicContact CG-CZ2 3.87Å; F155-W576 HydrophobicContact CZ-CH2 4.24Å
156	M	97.1	Very high	95.6	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.7	-47.5	176.4	-168.3	-173.9	-62.7	0	0	111.2	P152 L153 S159 F160 I547 M548 Y556 W576	P152-M156 PolarHBondContact O-N 3.49Å; L153-M156 HydrophobicContact CD2-CE 4.47Å; L153-M156 WeakPolarHBondContact O-CB 3.38Å; L153-M156 PolarHBondContact O-N 3.16Å; L153-M156 VanDerWaalsContact O-N 3.13Å; M156-S159 PolarHBondContact O-OG 2.93Å; M156-S159 VanDerWaalsContact O-OG 3.1Å; M156-F160 WeakPolarHBondContact O-CB 3.31Å; M156-F160 PolarHBondContact O-N 2.89Å; M156-I547 HydrophobicContact CG-CD1 4.2Å; M156-I547 HydrophobicContact SD-CB 4.48Å; M156-I547 HydrophobicContact SD-CD1 3.79Å; M156-M548 HydrophobicContact CE-CE 4.02Å; M156-M548 HydrophobicContact CE-CG 4.48Å; M156-Y556 HydrophobicContact CG-CE1 4.37Å; M156-Y556 WeakPolarHBondContact CG-OH 3.24Å; M156-Y556 PolarHBondContact O-OH 3.08Å; M156-W576 HydrophobicContact CB-CZ2 4.1Å; M156-W576 HydrophobicContact CE-CB 3.75Å; M156-W576 HydrophobicContact CE-CD2 4.09Å; M156-W576 HydrophobicContact CE-CG 3.46Å; M156-W576 VanDerWaalsContact CE-CG 3.46Å
157	E	96.6	Very high	95.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.8	-43.3	-180	-78.6	-176.4	-104.7	0	0	113.2	L153 F154 S159 F160 G161 C374 A375 L379 I380 M543	L153-E157 PolarHBondContact O-N 3.1Å; F154-E157 PolarHBondContact O-N 3.39Å; E157-S159 VanDerWaalsContact C-N 3.35Å; E157-S159 PolarHBondContact O-N 3.43Å; E157-F160 PolarHBondContact O-N 3.32Å; E157-G161 PolarHBondContact O-N 2.84Å; E157-C374 WeakPolarHBondContact OE1-CA 3.46Å; E157-A375 PolarHBondContact OE1-N 2.83Å; E157-A375 PolarHBondContact OE2-N 3.35Å; E157-L379 HydrophobicContact CB-CB 3.86Å; E157-L379 HydrophobicContact CB-CD1 4.26Å; E157-I380 HydrophobicContact CB-CG1 3.87Å; E157-I380 HydrophobicContact CG-CD1 4.2Å; E157-I380 HydrophobicContact CG-CG1 3.94Å; E157-M543 HydrophobicContact CG-CE 3.81Å; E157-M543 HydrophobicContact CG-SD 3.99Å
158	L	97.3	Very high	95.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.4	-46.3	176.2	-70.8	-165.2	0	0	0	111.3	F109 F154 Q162 L379 A383 C392 I399	F109-L158 HydrophobicContact CE2-CD2 4.33Å; F109-L158 HydrophobicContact CZ-CD1 3.98Å; F109-L158 HydrophobicContact CZ-CD2 3.93Å; F154-L158 HydrophobicContact CD1-CD1 3.9Å; F154-L158 HydrophobicContact CD1-CG 3.98Å; F154-L158 HydrophobicContact CE1-CD1 3.69Å; F154-L158 HydrophobicContact CE1-CD2 4.28Å; F154-L158 HydrophobicContact CE1-CG 3.96Å; F154-L158 WeakPolarHBondContact O-CG 3.4Å; F154-L158 PolarHBondContact O-N 3.38Å; L158-Q162 VanDerWaalsContact O-CB 3.26Å; L158-Q162 WeakPolarHBondContact O-CB 3.19Å; L158-Q162 PolarHBondContact O-N 3.32Å; L158-L379 HydrophobicContact CD2-CB 4.07Å; L158-L379 HydrophobicContact CD2-CD2 4.42Å; L158-A383 HydrophobicContact CB-CB 4.25Å; L158-A383 HydrophobicContact CD2-CB 3.88Å; L158-A383 WeakPolarHBondContact O-CB 3.41Å; L158-C392 HydrophobicContact CB-CB 4.19Å; L158-I399 HydrophobicContact CD1-CD1 4.43Å
159	S	97.1	Very high	95.2	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.007	2%	0.021	C	C	.	.	H	α-helix	trans	-69.7	-36.6	-179.7	56.5	0	0	0	0	112.9	F155 M156 E157 F163 Y556 I560	F155-S159 VanDerWaalsContact O-CB 3.31Å; F155-S159 WeakPolarHBondContact O-CB 3.34Å; F155-S159 PolarHBondContact O-N 3.41Å; F155-S159 PolarHBondContact O-OG 3.17Å; M156-S159 PolarHBondContact O-OG 2.93Å; M156-S159 VanDerWaalsContact O-OG 3.1Å; E157-S159 VanDerWaalsContact C-N 3.35Å; E157-S159 PolarHBondContact O-N 3.43Å; S159-F163 WeakPolarHBondContact O-CB 3.34Å; S159-F163 PolarHBondContact O-N 3.06Å; S159-Y556 PolarHBondContact OG-OH 3.27Å; S159-I560 WeakPolarHBondContact OG-CD1 3.42Å
160	F	96	Very high	95.2	Very high	1 Å²	1	4 Å²	4	0%	0.004	2%	0.022	C	C	.	.	H	α-helix	trans	-64.3	-43.1	175.6	-175.3	-147.9	0	0	0	112.1	M156 E157 A164 V171 W172 I174 I380 I547 W654	M156-F160 WeakPolarHBondContact O-CB 3.31Å; M156-F160 PolarHBondContact O-N 2.89Å; E157-F160 PolarHBondContact O-N 3.32Å; F160-A164 PolarHBondContact O-N 2.88Å; F160-V171 HydrophobicContact CD1-CB 4.28Å; F160-V171 HydrophobicContact CD1-CG2 4.06Å; F160-V171 HydrophobicContact CD2-CB 4.21Å; F160-V171 HydrophobicContact CE1-CB 3.84Å; F160-V171 HydrophobicContact CE1-CG2 3.45Å; F160-V171 VanDerWaalsContact CE1-CG2 3.45Å; F160-V171 HydrophobicContact CE2-CB 3.75Å; F160-V171 HydrophobicContact CE2-CG2 4.29Å; F160-V171 WeakPolarHBondContact CE2-O 3Å; F160-V171 HydrophobicContact CG-CB 4.46Å; F160-V171 HydrophobicContact CZ-CB 3.55Å; F160-V171 HydrophobicContact CZ-CG2 3.59Å; F160-V171 WeakPolarHBondContact CZ-O 3.35Å; F160-W172 HydrophobicContact CE1-CH2 4.23Å; F160-W172 HydrophobicContact CE1-CZ2 4.04Å; F160-W172 HydrophobicContact CZ-CD2 4.47Å; F160-W172 HydrophobicContact CZ-CE3 4.46Å; F160-I174 HydrophobicContact CD2-CD1 4.43Å; F160-I174 HydrophobicContact CE2-CB 4.13Å; F160-I174 HydrophobicContact CE2-CD1 3.82Å; F160-I174 HydrophobicContact CE2-CG2 3.79Å; F160-I174 HydrophobicContact CZ-CG2 3.73Å; F160-I380 HydrophobicContact CD1-CD1 4.07Å; F160-I380 HydrophobicContact CE1-CD1 4.46Å; F160-I547 HydrophobicContact CD1-CD1 3.92Å; F160-I547 HydrophobicContact CE1-CD1 3.98Å; F160-I547 HydrophobicContact CG-CD1 4.26Å; F160-I547 HydrophobicContact CZ-CD1 4.36Å; F160-W654 HydrophobicContact CD2-CH2 4.08Å; F160-W654 AromaticContact CE2-CH2 3.7Å; F160-W654 HydrophobicContact CE2-CH2 3.7Å; F160-W654 HydrophobicContact CE2-CZ2 4.4Å; F160-W654 HydrophobicContact CE2-CZ3 4.41Å
161	G	95.9	Very high	95.2	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-67.2	-46.3	174.5	0	0	0	0	0	113.4	E157 S165 I380 S384	E157-G161 PolarHBondContact O-N 2.84Å; G161-S165 WeakPolarHBondContact O-CA 3.35Å; G161-S165 PolarHBondContact O-N 3.27Å; G161-I380 WeakPolarHBondContact CA-O 3.45Å; G161-S384 WeakPolarHBondContact O-CA 3.48Å
162	Q	96.6	Very high	95.1	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-65.1	-45.7	-179.2	-176.8	174.3	-58.9	0	0	112.3	L158 A164 S165 A383 N386 K387 F388 N390 M563	L158-Q162 VanDerWaalsContact O-CB 3.26Å; L158-Q162 WeakPolarHBondContact O-CB 3.19Å; L158-Q162 PolarHBondContact O-N 3.32Å; Q162-A164 PolarHBondContact O-N 3.36Å; Q162-S165 PolarHBondContact O-N 3.13Å; Q162-S165 PolarHBondContact O-OG 2.86Å; Q162-A383 WeakPolarHBondContact CA-O 3.31Å; Q162-A383 HydrophobicContact CB-CB 4.31Å; Q162-N386 HydrophobicContact CG-CB 3.88Å; Q162-N386 VanDerWaalsContact OE1-CB 3.32Å; Q162-N386 PolarHBondContact OE1-ND2 3.41Å; Q162-K387 PolarHBondContact NE2-O 3.32Å; Q162-F388 PolarHBondContact NE2-O 3.43Å; Q162-N390 PolarHBondContact NE2-O 2.99Å; Q162-N390 PolarHBondContact OE1-ND2 3.39Å; Q162-M563 HydrophobicContact CB-SD 3.96Å; Q162-M563 HydrophobicContact CG-SD 3.82Å; Q162-M563 PolarHBondContact NE2-SD 3.24Å; Q162-M563 VanDerWaalsContact NE2-SD 3.39Å
163	F	95.5	Very high	94.9	Very high	8 Å²	8	7.2 Å²	7.2	4%	0.035	3%	0.032	C	C	.	.	H	α-helix	trans	-59	-48.4	-178.6	176.9	-99	0	0	0	112.3	S159 F388 D559 M562 M563 W654 P656 Y666	S159-F163 WeakPolarHBondContact O-CB 3.34Å; S159-F163 PolarHBondContact O-N 3.06Å; F163-F388 AromaticContact CD2-CE2 3.74Å; F163-F388 HydrophobicContact CD2-CE2 3.74Å; F163-F388 AromaticContact CD2-CZ 3.94Å; F163-F388 HydrophobicContact CD2-CZ 3.94Å; F163-F388 HydrophobicContact CE2-CE2 4.17Å; F163-F388 HydrophobicContact CE2-CZ 4.06Å; F163-F388 HydrophobicContact CG-CE2 4.45Å; F163-D559 HydrophobicContact CD2-CB 3.97Å; F163-D559 HydrophobicContact CE1-CB 4.19Å; F163-D559 HydrophobicContact CE2-CB 3.6Å; F163-D559 HydrophobicContact CG-CB 4.42Å; F163-D559 HydrophobicContact CZ-CB 3.72Å; F163-M562 HydrophobicContact CE2-SD 4.25Å; F163-M563 HydrophobicContact CB-SD 4.15Å; F163-W654 HydrophobicContact CD1-CH2 4.17Å; F163-W654 AromaticContact CD1-CZ2 3.8Å; F163-W654 HydrophobicContact CD1-CZ2 3.8Å; F163-W654 HydrophobicContact CE1-CH2 4.47Å; F163-W654 AromaticContact CE1-CZ2 3.74Å; F163-W654 HydrophobicContact CE1-CZ2 3.74Å; F163-P656 HydrophobicContact CE2-CG 3.93Å; F163-P656 HydrophobicContact CZ-CG 3.99Å; F163-Y666 HydrophobicContact CE2-CE2 4.47Å; F163-Y666 HydrophobicContact CZ-CD2 4.36Å; F163-Y666 AromaticContact CZ-CE2 3.66Å; F163-Y666 HydrophobicContact CZ-CE2 3.66Å; F163-Y666 AromaticContact CZ-CZ 3.84Å
164	A	92.3	Very high	94.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-78.9	-23.5	179.5	0	0	0	0	0	113.3	F160 Q162 Q166 V171 W654	F160-A164 PolarHBondContact O-N 2.88Å; Q162-A164 PolarHBondContact O-N 3.36Å; A164-Q166 HydrophobicContact CB-CB 4.21Å; A164-Q166 PolarHBondContact O-N 3.19Å; A164-V171 HydrophobicContact CB-CG1 3.99Å; A164-W654 HydrophobicContact CB-CH2 3.78Å; A164-W654 HydrophobicContact CB-CZ3 3.67Å
165	S	92.9	Very high	94.8	Very high	14 Å²	14	7.3 Å²	7.3	10%	0.098	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	44.8	-168.7	-51.8	0	0	0	0	112.3	R100 G161 Q162	R100-S165 WeakPolarHBondContact CD-O 3.38Å; R100-S165 PolarHBondContact NE-O 2.97Å; R100-S165 PolarHBondContact NH1-O 3.07Å; G161-S165 WeakPolarHBondContact O-CA 3.35Å; G161-S165 PolarHBondContact O-N 3.27Å; Q162-S165 PolarHBondContact O-N 3.13Å; Q162-S165 PolarHBondContact O-OG 2.86Å
166	Q	90.5	Very high	94.6	Very high	36 Å²	36	8.1 Å²	8.1	17%	0.168	4%	0.038	C	C	.	.			trans	-133.1	154.3	-178.1	-76.2	-179.4	-4.4	0	0	111	R100 A164 G170 V171 S384	R100-Q166 VanDerWaalsContact NH2-C 3.35Å; A164-Q166 HydrophobicContact CB-CB 4.21Å; A164-Q166 PolarHBondContact O-N 3.19Å; Q166-G170 PolarHBondContact OE1-O 2.95Å; Q166-V171 HydrophobicContact CB-CG1 4.09Å; Q166-V171 WeakPolarHBondContact O-CG1 3.26Å; Q166-S384 VanDerWaalsContact O-CB 3.26Å; Q166-S384 WeakPolarHBondContact O-CB 3.33Å
167	G	91.8	Very high	94.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.			trans	-72.4	175.3	177.2	0	0	0	0	0	112.8	L169 G170 V171 D486	G167-L169 PolarHBondContact O-N 3.32Å; G167-G170 PolarHBondContact O-N 3.25Å; G167-V171 PolarHBondContact O-N 2.87Å; G167-D486 WeakPolarHBondContact CA-OD2 3.33Å; G167-D486 PolarHBondContact N-OD2 3.34Å
168	C	93.9	Very high	94.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.8	-173.3	63.6	0	0	0	0	115.8	W172 G182 M185	C168-W172 PolarHBondContact O-NE1 3.32Å; C168-G182 VanDerWaalsContact O-CA 3.29Å; C168-G182 WeakPolarHBondContact O-CA 3.32Å; C168-M185 HydrophobicContact CB-SD 4.29Å
169	L	94.1	Very high	94.4	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.016	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-40.6	170.3	-71.3	176.4	0	0	0	113.6	G167 K179 Y183 M186 A483 E487	G167-L169 PolarHBondContact O-N 3.32Å; L169-K179 WeakPolarHBondContact O-CE 3.4Å; L169-Y183 HydrophobicContact CD1-CD1 4.37Å; L169-Y183 HydrophobicContact CD1-CE1 4Å; L169-Y183 HydrophobicContact CD2-CD1 3.61Å; L169-Y183 HydrophobicContact CD2-CD2 3.77Å; L169-Y183 HydrophobicContact CD2-CE1 3.78Å; L169-Y183 HydrophobicContact CD2-CE2 3.95Å; L169-Y183 HydrophobicContact CD2-CG 3.6Å; L169-M186 HydrophobicContact CD1-SD 4.17Å; L169-A483 HydrophobicContact CD1-CB 3.89Å; L169-A483 HydrophobicContact CG-CB 4.21Å; L169-E487 HydrophobicContact CD1-CB 3.99Å; L169-E487 HydrophobicContact CD1-CG 4.23Å
170	G	91.6	Very high	94.4	Very high	3 Å²	3	11.3 Å²	11.3	3%	0.031	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-68	-41.5	-173.9	0	0	0	0	0	112.6	Q166 G167 W172 R173	Q166-G170 PolarHBondContact OE1-O 2.95Å; G167-G170 PolarHBondContact O-N 3.25Å; G170-W172 PolarHBondContact O-N 3.42Å; G170-R173 WeakPolarHBondContact O-CB 3.46Å; G170-R173 VanDerWaalsContact O-CG 3.24Å; G170-R173 WeakPolarHBondContact O-CG 3.5Å; G170-R173 PolarHBondContact O-N 3.19Å
171	V	94.9	Very high	94.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-54.4	-25.3	-178.3	-62.5	0	0	0	0	114.1	F160 A164 Q166 G167 R173 I174 I380 W654	F160-V171 HydrophobicContact CD1-CB 4.28Å; F160-V171 HydrophobicContact CD1-CG2 4.06Å; F160-V171 HydrophobicContact CD2-CB 4.21Å; F160-V171 HydrophobicContact CE1-CB 3.84Å; F160-V171 HydrophobicContact CE1-CG2 3.45Å; F160-V171 VanDerWaalsContact CE1-CG2 3.45Å; F160-V171 HydrophobicContact CE2-CB 3.75Å; F160-V171 HydrophobicContact CE2-CG2 4.29Å; F160-V171 WeakPolarHBondContact CE2-O 3Å; F160-V171 HydrophobicContact CG-CB 4.46Å; F160-V171 HydrophobicContact CZ-CB 3.55Å; F160-V171 HydrophobicContact CZ-CG2 3.59Å; F160-V171 WeakPolarHBondContact CZ-O 3.35Å; A164-V171 HydrophobicContact CB-CG1 3.99Å; Q166-V171 HydrophobicContact CB-CG1 4.09Å; Q166-V171 WeakPolarHBondContact O-CG1 3.26Å; G167-V171 PolarHBondContact O-N 2.87Å; V171-R173 PolarHBondContact O-N 3.43Å; V171-R173 VanDerWaalsContact O-N 3.12Å; V171-I174 WeakPolarHBondContact O-CG2 3.42Å; V171-I174 PolarHBondContact O-N 3.36Å; V171-I380 HydrophobicContact CB-CG2 4.42Å; V171-I380 HydrophobicContact CG1-CG2 3.61Å; V171-I380 HydrophobicContact CG2-CD1 4.43Å; V171-I380 HydrophobicContact CG2-CG2 3.97Å; V171-W654 WeakPolarHBondContact O-CZ3 3.43Å
172	W	96.1	Very high	94.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-72.2	1	177.5	-63.4	101.9	0	0	0	115	F160 C168 G170 I174 S175 F178 K179 V181 M185 M543 A546	F160-W172 HydrophobicContact CE1-CH2 4.23Å; F160-W172 HydrophobicContact CE1-CZ2 4.04Å; F160-W172 HydrophobicContact CZ-CD2 4.47Å; F160-W172 HydrophobicContact CZ-CE3 4.46Å; C168-W172 PolarHBondContact O-NE1 3.32Å; G170-W172 PolarHBondContact O-N 3.42Å; W172-I174 HydrophobicContact CE3-CG2 4.39Å; W172-I174 PolarHBondContact O-N 3.12Å; W172-I174 VanDerWaalsContact O-N 3.15Å; W172-S175 CarbonylContact O-C 3.6Å; W172-S175 PolarHBondContact O-N 3.37Å; W172-F178 HydrophobicContact CE3-CB 3.75Å; W172-F178 HydrophobicContact CZ3-CB 3.97Å; W172-K179 VanDerWaalsContact CB-CA 3.44Å; W172-K179 HydrophobicContact CB-CB 3.77Å; W172-K179 HydrophobicContact CB-CG 3.98Å; W172-V181 HydrophobicContact CD2-CB 4.29Å; W172-V181 HydrophobicContact CH2-CB 3.94Å; W172-V181 HydrophobicContact CH2-CG1 3.72Å; W172-V181 HydrophobicContact CH2-CG2 4.31Å; W172-V181 HydrophobicContact CZ2-CB 3.62Å; W172-V181 HydrophobicContact CZ2-CG1 3.35Å; W172-V181 HydrophobicContact CZ2-CG2 4.47Å; W172-V181 HydrophobicContact CZ3-CB 4.39Å; W172-V181 HydrophobicContact CZ3-CG2 4.48Å; W172-M185 HydrophobicContact CZ2-CE 4.14Å; W172-M543 HydrophobicContact CH2-CB 3.95Å; W172-M543 HydrophobicContact CH2-CG 3.87Å; W172-M543 HydrophobicContact CZ2-CG 4.35Å; W172-A546 HydrophobicContact CZ3-CB 4.04Å
173	R	93.3	Very high	94.4	Very high	85 Å²	85	13.9 Å²	13.9	32%	0.321	6%	0.063	S	C	.	.	G	3₁₀ helix	trans	-56.3	-19.8	161.7	-70.5	171.3	-164.6	-156.4	10.3	112.4	G170 V171 S175 S651 D653 W654	G170-R173 WeakPolarHBondContact O-CB 3.46Å; G170-R173 VanDerWaalsContact O-CG 3.24Å; G170-R173 WeakPolarHBondContact O-CG 3.5Å; G170-R173 PolarHBondContact O-N 3.19Å; V171-R173 PolarHBondContact O-N 3.43Å; V171-R173 VanDerWaalsContact O-N 3.12Å; R173-S175 PolarHBondContact O-N 2.64Å; R173-S651 PolarHBondContact O-N 3.49Å; R173-D653 WeakPolarHBondContact CD-OD2 3.2Å; R173-D653 IonicContact CZ-OD2 3.93Å; R173-D653 IonicContact NE-OD2 3.02Å; R173-D653 IonicContact NH1-OD2 3.99Å; R173-D653 PolarHBondContact NH1-OD2 2.93Å; R173-W654 HydrophobicContact CB-CE3 3.97Å
174	I	94.9	Very high	94.4	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-56.5	-31.7	169.1	-162.3	171.2	0	0	0	113.6	F160 V171 W172 Y551 P650 W654	F160-I174 HydrophobicContact CD2-CD1 4.43Å; F160-I174 HydrophobicContact CE2-CB 4.13Å; F160-I174 HydrophobicContact CE2-CD1 3.82Å; F160-I174 HydrophobicContact CE2-CG2 3.79Å; F160-I174 HydrophobicContact CZ-CG2 3.73Å; V171-I174 WeakPolarHBondContact O-CG2 3.42Å; V171-I174 PolarHBondContact O-N 3.36Å; W172-I174 HydrophobicContact CE3-CG2 4.39Å; W172-I174 PolarHBondContact O-N 3.12Å; W172-I174 VanDerWaalsContact O-N 3.15Å; I174-Y551 HydrophobicContact CD1-CD1 3.63Å; I174-Y551 HydrophobicContact CD1-CD2 3.88Å; I174-Y551 HydrophobicContact CD1-CE1 3.98Å; I174-Y551 HydrophobicContact CD1-CE2 4.22Å; I174-Y551 HydrophobicContact CD1-CG 3.58Å; I174-Y551 HydrophobicContact CG1-CD1 4.03Å; I174-Y551 HydrophobicContact CG1-CD2 3.28Å; I174-Y551 HydrophobicContact CG1-CE1 4.34Å; I174-Y551 HydrophobicContact CG1-CE2 3.66Å; I174-Y551 HydrophobicContact CG1-CG 3.5Å; I174-Y551 VanDerWaalsContact CG1-CG 3.5Å; I174-P650 VanDerWaalsContact O-CA 3.26Å; I174-P650 WeakPolarHBondContact O-CA 3.36Å; I174-P650 WeakPolarHBondContact O-CG 3.42Å; I174-W654 HydrophobicContact CB-CD2 3.84Å; I174-W654 HydrophobicContact CB-CE3 3.96Å; I174-W654 HydrophobicContact CB-CH2 3.82Å; I174-W654 HydrophobicContact CB-CZ2 3.71Å; I174-W654 HydrophobicContact CB-CZ3 3.94Å; I174-W654 HydrophobicContact CD1-CH2 4.14Å; I174-W654 HydrophobicContact CD1-CZ2 3.56Å; I174-W654 HydrophobicContact CG1-CD2 4.2Å; I174-W654 HydrophobicContact CG1-CH2 4.22Å; I174-W654 HydrophobicContact CG1-CZ2 3.62Å; I174-W654 VanDerWaalsContact N-CE3 3.3Å
175	S	94.7	Very high	94.6	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.007	6%	0.061	C	C	.	.	S	Bend	trans	-161.4	88.7	175.9	172.7	0	0	0	0	108.9	W172 R173 M177 F178 T648	W172-S175 CarbonylContact O-C 3.6Å; W172-S175 PolarHBondContact O-N 3.37Å; R173-S175 PolarHBondContact O-N 2.64Å; S175-M177 PolarHBondContact O-N 2.93Å; S175-F178 PolarHBondContact O-N 3.42Å; S175-F178 WeakPolarHBondContact OG-CD2 3.36Å; S175-T648 PolarHBondContact OG-O 3.11Å
176	P	93.3	Very high	94.7	Very high	17 Å²	17	14.7 Å²	14.7	11%	0.11	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-54.4	-28.2	-168.4	-30.1	37.6	0	0	0	115.8	F178 K179 Y627 K649	P176-F178 PolarHBondContact O-N 3.01Å; P176-K179 PolarHBondContact O-N 3.36Å; P176-Y627 WeakPolarHBondContact O-CE1 3.47Å; P176-K649 WeakPolarHBondContact CD-O 3.41Å
177	M	94.7	Very high	94.9	Very high	20 Å²	20	14.5 Å²	14.5	10%	0.099	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-55.1	-33	173	-168.2	174.7	78.8	0	0	113.3	S175 A628 L632 L644 A647 T648	S175-M177 PolarHBondContact O-N 2.93Å; M177-A628 HydrophobicContact CG-CB 3.71Å; M177-L632 HydrophobicContact SD-CD1 4.41Å; M177-L632 HydrophobicContact SD-CD2 4.37Å; M177-L632 HydrophobicContact SD-CG 4.47Å; M177-L644 HydrophobicContact CE-CD1 4.2Å; M177-L644 HydrophobicContact SD-CD1 3.6Å; M177-L644 VanDerWaalsContact SD-CD1 3.6Å; M177-A647 HydrophobicContact CB-CB 4.19Å; M177-A647 WeakPolarHBondContact CB-O 3.36Å; M177-A647 PolarHBondContact N-O 2.81Å; M177-T648 HydrophobicContact CE-CG2 3.63Å; M177-T648 HydrophobicContact SD-CG2 4.01Å
178	F	96.3	Very high	95	Very high	24 Å²	24	14.5 Å²	14.5	11%	0.105	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-94.9	10.8	-178.2	-66.4	-73.4	0	0	0	114.4	W172 S175 P176 G180 V181 I542 A546 I550 I624	W172-F178 HydrophobicContact CE3-CB 3.75Å; W172-F178 HydrophobicContact CZ3-CB 3.97Å; S175-F178 PolarHBondContact O-N 3.42Å; S175-F178 WeakPolarHBondContact OG-CD2 3.36Å; P176-F178 PolarHBondContact O-N 3.01Å; F178-G180 PolarHBondContact O-N 2.85Å; F178-G180 VanDerWaalsContact O-N 3.08Å; F178-V181 HydrophobicContact CB-CG2 4.04Å; F178-V181 HydrophobicContact CD1-CG2 4.29Å; F178-V181 VanDerWaalsContact O-CB 3.24Å; F178-V181 WeakPolarHBondContact O-CB 3.26Å; F178-V181 VanDerWaalsContact O-CG2 3.24Å; F178-V181 WeakPolarHBondContact O-CG2 3.25Å; F178-V181 PolarHBondContact O-N 3.11Å; F178-I542 HydrophobicContact CD1-CG2 3.67Å; F178-I542 HydrophobicContact CE1-CG2 3.83Å; F178-A546 HydrophobicContact CB-CB 4.42Å; F178-A546 HydrophobicContact CD1-CB 4.48Å; F178-A546 HydrophobicContact CD2-CB 3.8Å; F178-A546 HydrophobicContact CE2-CB 4.22Å; F178-A546 HydrophobicContact CG-CB 3.97Å; F178-I550 HydrophobicContact CD2-CD1 4.49Å; F178-I550 HydrophobicContact CE2-CD1 3.32Å; F178-I550 HydrophobicContact CE2-CG1 4.49Å; F178-I550 HydrophobicContact CE2-CG2 4.27Å; F178-I550 HydrophobicContact CZ-CD1 3.41Å; F178-I550 VanDerWaalsContact CZ-CD1 3.41Å; F178-I624 HydrophobicContact CD1-CG2 4.45Å
179	K	95.8	Very high	95	Very high	23 Å²	23	14.5 Å²	14.5	10%	0.1	7%	0.067	C	C	.	.	H	α-helix	trans	-59.7	-22.6	174.9	-169.2	-179.1	-169.5	-174.5	0	113.4	L169 W172 P176 V181 G182 Y183 E487 Y627	L169-K179 WeakPolarHBondContact O-CE 3.4Å; W172-K179 VanDerWaalsContact CB-CA 3.44Å; W172-K179 HydrophobicContact CB-CB 3.77Å; W172-K179 HydrophobicContact CB-CG 3.98Å; P176-K179 PolarHBondContact O-N 3.36Å; K179-V181 PolarHBondContact O-N 2.79Å; K179-G182 PolarHBondContact O-N 2.99Å; K179-Y183 HydrophobicContact CD-CE2 4.27Å; K179-Y183 HydrophobicContact CG-CD2 4.45Å; K179-Y183 HydrophobicContact CG-CE2 4.08Å; K179-Y183 WeakPolarHBondContact O-CD2 3.43Å; K179-Y183 PolarHBondContact O-N 3.38Å; K179-E487 VanDerWaalsContact CE-OE2 3.31Å; K179-E487 WeakPolarHBondContact CE-OE2 3.4Å; K179-E487 IonicContact NZ-OE1 3.55Å; K179-E487 PolarHBondContact NZ-OE1 3.12Å; K179-E487 IonicContact NZ-OE2 2.64Å; K179-E487 PolarHBondContact NZ-OE2 3.28Å; K179-Y627 HydrophobicContact CB-CD1 3.86Å; K179-Y627 HydrophobicContact CB-CE1 3.52Å; K179-Y627 HydrophobicContact CD-CE1 4.16Å; K179-Y627 HydrophobicContact CG-CE1 4.28Å
180	G	96.5	Very high	95	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-54.9	-25.9	167.3	0	0	0	0	0	114.9	F178 Y183 G184 C623	F178-G180 PolarHBondContact O-N 2.85Å; F178-G180 VanDerWaalsContact O-N 3.08Å; G180-Y183 PolarHBondContact O-N 3.3Å; G180-G184 PolarHBondContact O-N 2.88Å; G180-C623 VanDerWaalsContact CA-O 3.26Å; G180-C623 WeakPolarHBondContact CA-O 3.32Å; G180-C623 WeakPolarHBondContact O-CB 3.45Å
181	V	97.1	Very high	95.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.7	-42.9	173.9	-176.4	0	0	0	0	110.4	W172 F178 K179 G184 M185 I539 I542 I624	W172-V181 HydrophobicContact CD2-CB 4.29Å; W172-V181 HydrophobicContact CH2-CB 3.94Å; W172-V181 HydrophobicContact CH2-CG1 3.72Å; W172-V181 HydrophobicContact CH2-CG2 4.31Å; W172-V181 HydrophobicContact CZ2-CB 3.62Å; W172-V181 HydrophobicContact CZ2-CG1 3.35Å; W172-V181 HydrophobicContact CZ2-CG2 4.47Å; W172-V181 HydrophobicContact CZ3-CB 4.39Å; W172-V181 HydrophobicContact CZ3-CG2 4.48Å; F178-V181 HydrophobicContact CB-CG2 4.04Å; F178-V181 HydrophobicContact CD1-CG2 4.29Å; F178-V181 VanDerWaalsContact O-CB 3.24Å; F178-V181 WeakPolarHBondContact O-CB 3.26Å; F178-V181 VanDerWaalsContact O-CG2 3.24Å; F178-V181 WeakPolarHBondContact O-CG2 3.25Å; F178-V181 PolarHBondContact O-N 3.11Å; K179-V181 PolarHBondContact O-N 2.79Å; V181-G184 PolarHBondContact O-N 3.28Å; V181-M185 HydrophobicContact CG1-CE 4.16Å; V181-M185 WeakPolarHBondContact O-CG 3.41Å; V181-M185 PolarHBondContact O-N 3.45Å; V181-I539 HydrophobicContact CG1-CG2 3.71Å; V181-I542 HydrophobicContact CG2-CG2 3.72Å; V181-I624 HydrophobicContact CG2-CD1 4.01Å; V181-I624 HydrophobicContact CG2-CG1 4.01Å; V181-I624 HydrophobicContact CG2-CG2 4.1Å
182	G	96.3	Very high	95.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.2	-35.8	174.1	0	0	0	0	0	113.3	C168 K179 M185 M186	C168-G182 VanDerWaalsContact O-CA 3.29Å; C168-G182 WeakPolarHBondContact O-CA 3.32Å; K179-G182 PolarHBondContact O-N 2.99Å; G182-M185 WeakPolarHBondContact O-CB 3.19Å; G182-M185 PolarHBondContact O-N 3.32Å; G182-M186 WeakPolarHBondContact O-CB 3.24Å; G182-M186 PolarHBondContact O-N 3.08Å
183	Y	96.2	Very high	95.1	Very high	56 Å²	56	19.1 Å²	19.1	22%	0.22	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-40.2	171.8	-73.5	-74	0	0	0	111.3	L169 K179 G180 M186 V187 E487 Y627	L169-Y183 HydrophobicContact CD1-CD1 4.37Å; L169-Y183 HydrophobicContact CD1-CE1 4Å; L169-Y183 HydrophobicContact CD2-CD1 3.61Å; L169-Y183 HydrophobicContact CD2-CD2 3.77Å; L169-Y183 HydrophobicContact CD2-CE1 3.78Å; L169-Y183 HydrophobicContact CD2-CE2 3.95Å; L169-Y183 HydrophobicContact CD2-CG 3.6Å; K179-Y183 HydrophobicContact CD-CE2 4.27Å; K179-Y183 HydrophobicContact CG-CD2 4.45Å; K179-Y183 HydrophobicContact CG-CE2 4.08Å; K179-Y183 WeakPolarHBondContact O-CD2 3.43Å; K179-Y183 PolarHBondContact O-N 3.38Å; G180-Y183 PolarHBondContact O-N 3.3Å; Y183-M186 HydrophobicContact CD1-CE 4.08Å; Y183-M186 PolarHBondContact O-N 2.9Å; Y183-V187 WeakPolarHBondContact O-CG2 3.14Å; Y183-V187 PolarHBondContact O-N 3Å; Y183-E487 PolarHBondContact OH-OE1 2.66Å; Y183-E487 VanDerWaalsContact OH-OE1 3.14Å; Y183-Y627 HydrophobicContact CD2-CD2 4.03Å; Y183-Y627 HydrophobicContact CD2-CE2 4.38Å; Y183-Y627 AromaticContact CE2-CD2 3.69Å; Y183-Y627 HydrophobicContact CE2-CD2 3.69Å; Y183-Y627 AromaticContact CE2-CE2 3.6Å; Y183-Y627 HydrophobicContact CE2-CE2 3.6Å
184	G	95.9	Very high	95.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.4	-47.9	171.8	0	0	0	0	0	112.5	G180 V181 M186 V187 V188 S620	G180-G184 PolarHBondContact O-N 2.88Å; V181-G184 PolarHBondContact O-N 3.28Å; G184-M186 VanDerWaalsContact C-N 3.32Å; G184-M186 PolarHBondContact O-N 2.97Å; G184-V187 PolarHBondContact O-N 2.97Å; G184-V188 WeakPolarHBondContact O-CG2 3.43Å; G184-V188 PolarHBondContact O-N 3.44Å; G184-S620 VanDerWaalsContact CA-O 3.3Å; G184-S620 WeakPolarHBondContact CA-O 3.49Å
185	M	95.5	Very high	95.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-54.6	-45.8	173.6	-70.6	172.5	169.3	0	0	112.1	C168 W172 V181 G182 V188 S189 A375 I380 I539 M543	C168-M185 HydrophobicContact CB-SD 4.29Å; W172-M185 HydrophobicContact CZ2-CE 4.14Å; V181-M185 HydrophobicContact CG1-CE 4.16Å; V181-M185 WeakPolarHBondContact O-CG 3.41Å; V181-M185 PolarHBondContact O-N 3.45Å; G182-M185 WeakPolarHBondContact O-CB 3.19Å; G182-M185 PolarHBondContact O-N 3.32Å; M185-V188 PolarHBondContact O-N 2.78Å; M185-S189 WeakPolarHBondContact O-CB 3.26Å; M185-S189 PolarHBondContact O-N 2.69Å; M185-S189 PolarHBondContact O-OG 3.18Å; M185-A375 HydrophobicContact CE-CB 4.45Å; M185-A375 WeakPolarHBondContact CG-O 3.33Å; M185-I380 HydrophobicContact CE-CD1 4.01Å; M185-I380 HydrophobicContact SD-CD1 3.99Å; M185-I539 HydrophobicContact CE-CG2 3.95Å; M185-I539 HydrophobicContact CG-CG2 3.88Å; M185-M543 HydrophobicContact CE-SD 3.68Å
186	M	94.8	Very high	95.1	Very high	39 Å²	39	16.4 Å²	16.4	19%	0.192	8%	0.081	C	C	.	.	H	α-helix	trans	-64.1	-42.8	178.2	-173.9	-172.3	74.9	0	0	112.3	L169 G182 Y183 G184 T190 L480 A483	L169-M186 HydrophobicContact CD1-SD 4.17Å; G182-M186 WeakPolarHBondContact O-CB 3.24Å; G182-M186 PolarHBondContact O-N 3.08Å; Y183-M186 HydrophobicContact CD1-CE 4.08Å; Y183-M186 PolarHBondContact O-N 2.9Å; G184-M186 VanDerWaalsContact C-N 3.32Å; G184-M186 PolarHBondContact O-N 2.97Å; M186-T190 WeakPolarHBondContact O-CB 3.35Å; M186-T190 PolarHBondContact O-N 3.44Å; M186-T190 PolarHBondContact O-OG1 2.84Å; M186-L480 HydrophobicContact CG-CD1 3.67Å; M186-L480 HydrophobicContact SD-CD1 4.07Å; M186-A483 HydrophobicContact CG-CB 4.12Å; M186-A483 HydrophobicContact SD-CB 3.84Å
187	V	95.3	Very high	95.3	Very high	31 Å²	31	15.6 Å²	15.6	19%	0.188	8%	0.076	C	C	.	.	H	α-helix	trans	-64.1	-47	176.9	171.4	0	0	0	0	111	Y183 G184 T190 Y191	Y183-V187 WeakPolarHBondContact O-CG2 3.14Å; Y183-V187 PolarHBondContact O-N 3Å; G184-V187 PolarHBondContact O-N 2.97Å; V187-T190 WeakPolarHBondContact O-CB 3.39Å; V187-T190 PolarHBondContact O-N 2.87Å; V187-Y191 HydrophobicContact CG1-CD2 3.93Å; V187-Y191 HydrophobicContact CG1-CE2 3.41Å; V187-Y191 VanDerWaalsContact CG1-CE2 3.41Å; V187-Y191 WeakPolarHBondContact O-CD2 3.26Å; V187-Y191 PolarHBondContact O-N 2.89Å
188	V	93.9	Very high	95.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.6	-49.3	176.6	175.5	0	0	0	0	110.8	G184 M185 T190 Y191 I192 A532 L536 I539	G184-V188 WeakPolarHBondContact O-CG2 3.43Å; G184-V188 PolarHBondContact O-N 3.44Å; M185-V188 PolarHBondContact O-N 2.78Å; V188-T190 PolarHBondContact O-N 3.42Å; V188-Y191 PolarHBondContact O-N 2.89Å; V188-I192 HydrophobicContact CG1-CD1 3.65Å; V188-I192 HydrophobicContact CG1-CG1 4.23Å; V188-I192 WeakPolarHBondContact O-CG1 3.24Å; V188-I192 PolarHBondContact O-N 2.96Å; V188-A532 HydrophobicContact CG1-CB 4.2Å; V188-L536 HydrophobicContact CG1-CD2 3.87Å; V188-L536 HydrophobicContact CG1-CG 4.2Å; V188-I539 HydrophobicContact CG2-CD1 4.05Å
189	S	94.1	Very high	95.3	Very high	1 Å²	1	14 Å²	14	1%	0.007	7%	0.069	C	C	.	.	H	α-helix	trans	-59.1	-32.7	176.3	-80.5	0	0	0	0	113.1	M185 G193 W376	M185-S189 WeakPolarHBondContact O-CB 3.26Å; M185-S189 PolarHBondContact O-N 2.69Å; M185-S189 PolarHBondContact O-OG 3.18Å; S189-G193 PolarHBondContact O-N 3.08Å; S189-W376 PolarHBondContact OG-O 2.91Å
190	T	94.9	Very high	95.4	Very high	39 Å²	39	13 Å²	13	24%	0.239	7%	0.065	C	C	.	.	H	α-helix	trans	-67.7	-48.7	175.3	-56.5	0	0	0	0	111.2	M186 V187 V188 G193 I194 L480	M186-T190 WeakPolarHBondContact O-CB 3.35Å; M186-T190 PolarHBondContact O-N 3.44Å; M186-T190 PolarHBondContact O-OG1 2.84Å; V187-T190 WeakPolarHBondContact O-CB 3.39Å; V187-T190 PolarHBondContact O-N 2.87Å; V188-T190 PolarHBondContact O-N 3.42Å; T190-G193 PolarHBondContact O-N 3.22Å; T190-I194 HydrophobicContact CG2-CD1 4.13Å; T190-I194 WeakPolarHBondContact O-CD1 3.42Å; T190-I194 VanDerWaalsContact O-CG1 3.3Å; T190-I194 WeakPolarHBondContact O-CG1 3.43Å; T190-I194 PolarHBondContact O-N 2.99Å; T190-I194 VanDerWaalsContact O-N 3.13Å; T190-L480 HydrophobicContact CG2-CD2 4.2Å
191	Y	94.9	Very high	95.4	Very high	55 Å²	55	13 Å²	13	22%	0.216	7%	0.065	C	C	.	.	H	α-helix	trans	-61.8	-45.7	177.6	-67.2	-43.3	0	0	0	112	V187 V188 I194 Y195 M527 A531 M616 S619	V187-Y191 HydrophobicContact CG1-CD2 3.93Å; V187-Y191 HydrophobicContact CG1-CE2 3.41Å; V187-Y191 VanDerWaalsContact CG1-CE2 3.41Å; V187-Y191 WeakPolarHBondContact O-CD2 3.26Å; V187-Y191 PolarHBondContact O-N 2.89Å; V188-Y191 PolarHBondContact O-N 2.89Å; Y191-I194 PolarHBondContact O-N 3.45Å; Y191-Y195 WeakPolarHBondContact O-CD1 3.25Å; Y191-Y195 PolarHBondContact O-N 2.85Å; Y191-M527 HydrophobicContact CD1-CE 4.02Å; Y191-M527 HydrophobicContact CG-CE 4.41Å; Y191-A531 HydrophobicContact CD2-CB 3.86Å; Y191-A531 HydrophobicContact CG-CB 4.04Å; Y191-M616 HydrophobicContact CD1-CE 3.53Å; Y191-M616 HydrophobicContact CD2-CE 3.98Å; Y191-M616 HydrophobicContact CE1-CE 3.74Å; Y191-M616 HydrophobicContact CE2-CB 4.39Å; Y191-M616 HydrophobicContact CE2-CE 4.14Å; Y191-M616 HydrophobicContact CG-CE 3.67Å; Y191-S619 WeakPolarHBondContact CE2-OG 3.37Å; Y191-S619 PolarHBondContact OH-OG 2.8Å
192	I	93.6	Very high	95.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.8	-49.1	176.6	-59.1	172.5	0	0	0	110	V188 I194 Y195 Y196 W376 L476 A532	V188-I192 HydrophobicContact CG1-CD1 3.65Å; V188-I192 HydrophobicContact CG1-CG1 4.23Å; V188-I192 WeakPolarHBondContact O-CG1 3.24Å; V188-I192 PolarHBondContact O-N 2.96Å; I192-I194 PolarHBondContact O-N 2.91Å; I192-I194 VanDerWaalsContact O-N 3.11Å; I192-Y195 HydrophobicContact CB-CE1 4.2Å; I192-Y195 HydrophobicContact CG1-CE1 4.03Å; I192-Y195 HydrophobicContact CG2-CE1 4.45Å; I192-Y195 PolarHBondContact O-N 3.07Å; I192-Y196 WeakPolarHBondContact O-CB 3.1Å; I192-Y196 PolarHBondContact O-N 3.15Å; I192-W376 HydrophobicContact CD1-CD2 3.81Å; I192-W376 HydrophobicContact CD1-CE3 3.77Å; I192-W376 HydrophobicContact CD1-CH2 3.86Å; I192-W376 HydrophobicContact CD1-CZ2 3.88Å; I192-W376 HydrophobicContact CD1-CZ3 3.81Å; I192-W376 HydrophobicContact CG2-CH2 4.27Å; I192-W376 HydrophobicContact CG2-CZ3 3.92Å; I192-L476 HydrophobicContact CB-CD1 4.3Å; I192-L476 HydrophobicContact CB-CD2 4.39Å; I192-L476 HydrophobicContact CG2-CD1 3.67Å; I192-L476 HydrophobicContact CG2-CD2 4.37Å; I192-A532 HydrophobicContact CD1-CB 3.97Å; I192-A532 HydrophobicContact CG1-CB 4.3Å
193	G	95.3	Very high	95.4	Very high	8 Å²	8	13.4 Å²	13.4	8%	0.082	7%	0.067	C	C	.	.	H	α-helix	trans	-59.7	-24.3	-180	0	0	0	0	0	114.8	S189 T190 Q473	S189-G193 PolarHBondContact O-N 3.08Å; T190-G193 PolarHBondContact O-N 3.22Å; G193-Q473 PolarHBondContact O-NE2 3.24Å; G193-Q473 PolarHBondContact O-OE1 2.9Å
194	I	95.4	Very high	95.5	Very high	15 Å²	15	11.6 Å²	11.6	8%	0.077	6%	0.06	C	C	.	.	H	α-helix	trans	-75.6	-62.5	173.5	-66.1	158.1	0	0	0	110.4	T190 Y191 I192 Y196 N197 V198 L511 M527	T190-I194 HydrophobicContact CG2-CD1 4.13Å; T190-I194 WeakPolarHBondContact O-CD1 3.42Å; T190-I194 VanDerWaalsContact O-CG1 3.3Å; T190-I194 WeakPolarHBondContact O-CG1 3.43Å; T190-I194 PolarHBondContact O-N 2.99Å; T190-I194 VanDerWaalsContact O-N 3.13Å; Y191-I194 PolarHBondContact O-N 3.45Å; I192-I194 PolarHBondContact O-N 2.91Å; I192-I194 VanDerWaalsContact O-N 3.11Å; I194-Y196 PolarHBondContact O-N 3.23Å; I194-N197 PolarHBondContact O-N 3.29Å; I194-V198 PolarHBondContact O-N 3.31Å; I194-L511 HydrophobicContact CD1-CB 3.92Å; I194-L511 HydrophobicContact CD1-CD1 3.8Å; I194-L511 HydrophobicContact CD1-CG 4.47Å; I194-L511 HydrophobicContact CG1-CB 4.14Å; I194-L511 HydrophobicContact CG2-CB 4.33Å; I194-M527 HydrophobicContact CB-CE 4.39Å; I194-M527 HydrophobicContact CG2-CE 4.43Å
195	Y	94.1	Very high	95.6	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.012	6%	0.064	C	C	.	.	H	α-helix	trans	-70.4	-34	-172.9	78.1	-106.9	0	0	0	112.2	Y191 I192 N197 V198 V199 Y370 M527 D528	Y191-Y195 WeakPolarHBondContact O-CD1 3.25Å; Y191-Y195 PolarHBondContact O-N 2.85Å; I192-Y195 HydrophobicContact CB-CE1 4.2Å; I192-Y195 HydrophobicContact CG1-CE1 4.03Å; I192-Y195 HydrophobicContact CG2-CE1 4.45Å; I192-Y195 PolarHBondContact O-N 3.07Å; Y195-N197 VanDerWaalsContact C-N 3.31Å; Y195-N197 PolarHBondContact O-N 3.18Å; Y195-V198 WeakPolarHBondContact O-CB 3.45Å; Y195-V198 PolarHBondContact O-N 3.38Å; Y195-V198 VanDerWaalsContact O-N 3.08Å; Y195-V199 PolarHBondContact O-N 3.09Å; Y195-V199 VanDerWaalsContact O-N 3.16Å; Y195-Y370 PolarHBondContact OH-OH 3.43Å; Y195-Y370 VanDerWaalsContact OH-OH 3.08Å; Y195-M527 HydrophobicContact CD1-CB 3.62Å; Y195-M527 HydrophobicContact CD1-CE 4.31Å; Y195-M527 HydrophobicContact CE1-CB 4.27Å; Y195-M527 HydrophobicContact CG-CB 4.17Å; Y195-D528 HydrophobicContact CD2-CB 4.36Å; Y195-D528 HydrophobicContact CE2-CB 3.83Å; Y195-D528 WeakPolarHBondContact CE2-OD1 3.39Å; Y195-D528 PolarHBondContact OH-OD1 2.81Å
196	Y	94.3	Very high	95.7	Very high	13 Å²	13	12.5 Å²	12.5	5%	0.051	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-35.5	179.3	-162.3	-96.4	0	0	0	111.5	G119 L120 I192 I194 V198 V199 I200 G469 T472	G119-Y196 WeakPolarHBondContact CA-OH 3.45Å; L120-Y196 HydrophobicContact CB-CE2 4.41Å; L120-Y196 HydrophobicContact CD1-CE1 4.28Å; L120-Y196 HydrophobicContact CD1-CE2 3.98Å; L120-Y196 HydrophobicContact CG-CE2 4.39Å; L120-Y196 PolarHBondContact N-OH 3.17Å; L120-Y196 VanDerWaalsContact N-OH 3.1Å; I192-Y196 WeakPolarHBondContact O-CB 3.1Å; I192-Y196 PolarHBondContact O-N 3.15Å; I194-Y196 PolarHBondContact O-N 3.23Å; Y196-V198 VanDerWaalsContact C-N 3.32Å; Y196-V198 PolarHBondContact O-N 3.18Å; Y196-V199 WeakPolarHBondContact O-CB 3.36Å; Y196-V199 PolarHBondContact O-N 2.94Å; Y196-I200 HydrophobicContact CD1-CD1 4.17Å; Y196-I200 HydrophobicContact CE1-CD1 4.36Å; Y196-I200 WeakPolarHBondContact O-CG1 3.48Å; Y196-I200 PolarHBondContact O-N 3.38Å; Y196-I200 VanDerWaalsContact O-N 3.14Å; Y196-G469 WeakPolarHBondContact CE1-O 3.24Å; Y196-T472 HydrophobicContact CE1-CG2 4.09Å; Y196-T472 PolarHBondContact OH-OG1 2.62Å; Y196-T472 VanDerWaalsContact OH-OG1 3.12Å
197	N	96.3	Very high	95.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-72.1	-24.4	174.1	-154.9	37.4	0	0	0	113.5	I194 Y195 V199 I200 C201 S297 W298	I194-N197 PolarHBondContact O-N 3.29Å; Y195-N197 VanDerWaalsContact C-N 3.31Å; Y195-N197 PolarHBondContact O-N 3.18Å; N197-V199 VanDerWaalsContact C-N 3.32Å; N197-I200 PolarHBondContact O-N 3.24Å; N197-C201 WeakPolarHBondContact O-CB 3.29Å; N197-C201 PolarHBondContact O-N 3.2Å; N197-S297 PolarHBondContact OD1-OG 3.29Å; N197-W298 HydrophobicContact CB-CZ2 4.04Å; N197-W298 PolarHBondContact ND2-NE1 2.91Å
198	V	96.4	Very high	96	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-67.8	-36.7	170.3	179.8	0	0	0	0	110.3	I194 Y195 Y196 C201 I202 L294 L515 L524	I194-V198 PolarHBondContact O-N 3.31Å; Y195-V198 WeakPolarHBondContact O-CB 3.45Å; Y195-V198 PolarHBondContact O-N 3.38Å; Y195-V198 VanDerWaalsContact O-N 3.08Å; Y196-V198 VanDerWaalsContact C-N 3.32Å; Y196-V198 PolarHBondContact O-N 3.18Å; V198-C201 VanDerWaalsContact O-CB 3.26Å; V198-C201 WeakPolarHBondContact O-CB 3.29Å; V198-C201 PolarHBondContact O-N 3.48Å; V198-I202 HydrophobicContact CG1-CD1 4.36Å; V198-I202 WeakPolarHBondContact O-CG1 3.43Å; V198-I202 PolarHBondContact O-N 2.94Å; V198-L294 HydrophobicContact CG2-CD1 4.09Å; V198-L515 HydrophobicContact CB-CB 4.42Å; V198-L515 HydrophobicContact CG1-CB 4.13Å; V198-L515 HydrophobicContact CG2-CB 3.78Å; V198-L515 HydrophobicContact CG2-CD2 4.07Å; V198-L524 HydrophobicContact CB-CD1 4.29Å; V198-L524 HydrophobicContact CG1-CD1 3.99Å
199	V	95.4	Very high	96.2	Very high	9 Å²	9	16.8 Å²	16.8	6%	0.055	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-40.6	172.5	-174.8	0	0	0	0	111.6	L120 W124 Y195 Y196 N197 I202 A203 F441 L524	L120-V199 HydrophobicContact CD1-CB 4.22Å; L120-V199 HydrophobicContact CD1-CG1 3.55Å; W124-V199 HydrophobicContact CH2-CG1 3.43Å; W124-V199 VanDerWaalsContact CH2-CG1 3.43Å; W124-V199 HydrophobicContact CZ2-CG1 3.9Å; Y195-V199 PolarHBondContact O-N 3.09Å; Y195-V199 VanDerWaalsContact O-N 3.16Å; Y196-V199 WeakPolarHBondContact O-CB 3.36Å; Y196-V199 PolarHBondContact O-N 2.94Å; N197-V199 VanDerWaalsContact C-N 3.32Å; V199-I202 PolarHBondContact O-N 3.12Å; V199-A203 PolarHBondContact O-N 2.55Å; V199-A203 VanDerWaalsContact O-N 3.08Å; V199-F441 HydrophobicContact CG1-CE2 4.15Å; V199-F441 HydrophobicContact CG1-CZ 4.22Å; V199-L524 HydrophobicContact CG2-CD1 3.89Å; V199-L524 HydrophobicContact CG2-CD2 4.2Å; V199-L524 HydrophobicContact CG2-CG 4.4Å
200	I	97	Very high	96.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.6	-40.3	174	-57.4	170.7	0	0	0	111	Y196 N197 I202 A203 F204 S297 I466 G469 Q473	Y196-I200 HydrophobicContact CD1-CD1 4.17Å; Y196-I200 HydrophobicContact CE1-CD1 4.36Å; Y196-I200 WeakPolarHBondContact O-CG1 3.48Å; Y196-I200 PolarHBondContact O-N 3.38Å; Y196-I200 VanDerWaalsContact O-N 3.14Å; N197-I200 PolarHBondContact O-N 3.24Å; I200-I202 VanDerWaalsContact C-N 3.33Å; I200-I202 PolarHBondContact O-N 2.96Å; I200-A203 WeakPolarHBondContact O-CB 3.14Å; I200-A203 PolarHBondContact O-N 2.87Å; I200-A203 VanDerWaalsContact O-N 3.14Å; I200-F204 HydrophobicContact CG2-CD2 3.89Å; I200-F204 HydrophobicContact CG2-CE2 3.74Å; I200-F204 WeakPolarHBondContact O-CD2 3.43Å; I200-F204 PolarHBondContact O-N 3.15Å; I200-S297 WeakPolarHBondContact CG2-OG 3.45Å; I200-I466 HydrophobicContact CG2-CG2 4.4Å; I200-G469 WeakPolarHBondContact CD1-O 3.3Å; I200-Q473 HydrophobicContact CD1-CB 3.82Å; I200-Q473 HydrophobicContact CD1-CG 4.19Å
201	C	97.1	Very high	96.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.9	-44.3	172	151.7	0	0	0	0	112.5	N197 V198 A203 F204 Y205 L290 C293 L294	N197-C201 WeakPolarHBondContact O-CB 3.29Å; N197-C201 PolarHBondContact O-N 3.2Å; V198-C201 VanDerWaalsContact O-CB 3.26Å; V198-C201 WeakPolarHBondContact O-CB 3.29Å; V198-C201 PolarHBondContact O-N 3.48Å; C201-A203 VanDerWaalsContact C-N 3.32Å; C201-A203 PolarHBondContact O-N 3.47Å; C201-F204 WeakPolarHBondContact O-CB 3.34Å; C201-F204 PolarHBondContact O-N 2.96Å; C201-Y205 PolarHBondContact O-N 3.13Å; C201-L290 PolarHBondContact SG-O 2.79Å; C201-C293 HydrophobicContact CB-CB 4.36Å; C201-C293 WeakPolarHBondContact O-CB 3.39Å; C201-L294 HydrophobicContact CB-CB 4.13Å; C201-L294 HydrophobicContact CB-CD1 4.25Å; C201-L294 PolarHBondContact SG-N 3.21Å; C201-L294 VanDerWaalsContact SG-N 3.42Å
202	I	96.9	Very high	96.4	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.036	10%	0.104	C	C	.	.	H	α-helix	trans	-64	-40.3	176.3	-65.6	161.3	0	0	0	110.3	V198 V199 I200 Y205 Y206 W269 L290 F441 L524	V198-I202 HydrophobicContact CG1-CD1 4.36Å; V198-I202 WeakPolarHBondContact O-CG1 3.43Å; V198-I202 PolarHBondContact O-N 2.94Å; V199-I202 PolarHBondContact O-N 3.12Å; I200-I202 VanDerWaalsContact C-N 3.33Å; I200-I202 PolarHBondContact O-N 2.96Å; I202-Y205 WeakPolarHBondContact O-CB 3.25Å; I202-Y205 PolarHBondContact O-N 2.92Å; I202-Y206 HydrophobicContact CG2-CD2 4.01Å; I202-Y206 HydrophobicContact CG2-CE2 4.12Å; I202-Y206 WeakPolarHBondContact O-CD2 3.4Å; I202-Y206 PolarHBondContact O-N 3.45Å; I202-W269 HydrophobicContact CD1-CH2 4.19Å; I202-W269 HydrophobicContact CG2-CH2 4.03Å; I202-W269 HydrophobicContact CG2-CZ3 3.61Å; I202-L290 HydrophobicContact CG1-CD2 4.45Å; I202-F441 HydrophobicContact CB-CE1 4.31Å; I202-F441 HydrophobicContact CB-CZ 4.16Å; I202-F441 HydrophobicContact CG2-CD1 3.66Å; I202-F441 HydrophobicContact CG2-CD2 4.1Å; I202-F441 HydrophobicContact CG2-CE1 3.55Å; I202-F441 HydrophobicContact CG2-CE2 3.99Å; I202-F441 HydrophobicContact CG2-CG 3.95Å; I202-F441 HydrophobicContact CG2-CZ 3.72Å; I202-L524 HydrophobicContact CD1-CD1 4.37Å
203	A	96.9	Very high	96.3	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-39.2	173.7	0	0	0	0	0	112.8	V199 I200 C201 Y206 F207 F441 L465 I466	V199-A203 PolarHBondContact O-N 2.55Å; V199-A203 VanDerWaalsContact O-N 3.08Å; I200-A203 WeakPolarHBondContact O-CB 3.14Å; I200-A203 PolarHBondContact O-N 2.87Å; I200-A203 VanDerWaalsContact O-N 3.14Å; C201-A203 VanDerWaalsContact C-N 3.32Å; C201-A203 PolarHBondContact O-N 3.47Å; A203-Y206 PolarHBondContact O-N 2.83Å; A203-F207 VanDerWaalsContact O-CB 3.27Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 3.22Å; A203-F441 HydrophobicContact CB-CE1 4.34Å; A203-L465 HydrophobicContact CB-CB 4.11Å; A203-I466 HydrophobicContact CB-CG1 3.75Å
204	F	98.1	Very high	96.1	Very high	18 Å²	18	32 Å²	32	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-45.3	169.9	-86.7	-67.5	0	0	0	112.2	I200 C201 Y206 F207 F208 C293 V296 V300 I466	I200-F204 HydrophobicContact CG2-CD2 3.89Å; I200-F204 HydrophobicContact CG2-CE2 3.74Å; I200-F204 WeakPolarHBondContact O-CD2 3.43Å; I200-F204 PolarHBondContact O-N 3.15Å; C201-F204 WeakPolarHBondContact O-CB 3.34Å; C201-F204 PolarHBondContact O-N 2.96Å; F204-Y206 PolarHBondContact O-N 2.67Å; F204-F207 PolarHBondContact O-N 3.08Å; F204-F208 HydrophobicContact CB-CE2 4.21Å; F204-F208 HydrophobicContact CD1-CE2 4.02Å; F204-F208 HydrophobicContact CD1-CZ 4.21Å; F204-F208 WeakPolarHBondContact O-CD2 3.42Å; F204-F208 PolarHBondContact O-N 3.16Å; F204-C293 HydrophobicContact CB-CB 4.1Å; F204-V296 HydrophobicContact CD1-CG1 4.23Å; F204-V296 HydrophobicContact CE1-CG1 4.13Å; F204-V296 HydrophobicContact CZ-CG1 4.32Å; F204-V300 HydrophobicContact CZ-CG2 4.21Å; F204-I466 HydrophobicContact CB-CD1 4.49Å; F204-I466 HydrophobicContact CD1-CD1 3.64Å; F204-I466 HydrophobicContact CD1-CG1 4.31Å; F204-I466 HydrophobicContact CD2-CG1 4.34Å; F204-I466 HydrophobicContact CD2-CG2 4.46Å; F204-I466 HydrophobicContact CE1-CD1 3.93Å; F204-I466 HydrophobicContact CE1-CG1 4.47Å; F204-I466 HydrophobicContact CE1-CG2 3.94Å; F204-I466 HydrophobicContact CE2-CG1 4.5Å; F204-I466 HydrophobicContact CE2-CG2 3.8Å; F204-I466 HydrophobicContact CG-CD1 3.96Å; F204-I466 HydrophobicContact CG-CG1 4.24Å; F204-I466 HydrophobicContact CZ-CD1 4.48Å; F204-I466 HydrophobicContact CZ-CG2 3.5Å
205	Y	97.9	Very high	96	Very high	20 Å²	20	31.4 Å²	31.4	8%	0.078	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-46.9	178.1	175.1	-89	0	0	0	111.8	C201 I202 S209 Y268 Y272 V273 P289 L290	C201-Y205 PolarHBondContact O-N 3.13Å; I202-Y205 WeakPolarHBondContact O-CB 3.25Å; I202-Y205 PolarHBondContact O-N 2.92Å; Y205-S209 VanDerWaalsContact O-CB 3.27Å; Y205-S209 WeakPolarHBondContact O-CB 3.29Å; Y205-S209 PolarHBondContact O-N 3.43Å; Y205-S209 PolarHBondContact O-OG 2.94Å; Y205-Y268 HydrophobicContact CE1-CE1 4.41Å; Y205-Y268 WeakPolarHBondContact CE1-OH 3.5Å; Y205-Y268 PolarHBondContact OH-OH 3.48Å; Y205-Y272 VanDerWaalsContact OH-CE1 3.25Å; Y205-Y272 WeakPolarHBondContact OH-CE1 3.32Å; Y205-V273 HydrophobicContact CD1-CG1 3.99Å; Y205-V273 HydrophobicContact CD1-CG2 4.35Å; Y205-V273 HydrophobicContact CE1-CB 4.26Å; Y205-V273 HydrophobicContact CE1-CG1 3.85Å; Y205-V273 HydrophobicContact CE1-CG2 3.56Å; Y205-P289 HydrophobicContact CD2-CB 3.92Å; Y205-P289 HydrophobicContact CE2-CB 3.63Å; Y205-L290 HydrophobicContact CD1-CD2 4.32Å; Y205-L290 HydrophobicContact CD2-CD2 3.94Å; Y205-L290 HydrophobicContact CG-CD2 3.72Å
206	Y	97.8	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-70.1	-33.9	177.4	-89.8	-96.3	0	0	0	113.1	I202 A203 F204 S209 S210 W217 Y268 W269 V273 F441 P445 F462	I202-Y206 HydrophobicContact CG2-CD2 4.01Å; I202-Y206 HydrophobicContact CG2-CE2 4.12Å; I202-Y206 WeakPolarHBondContact O-CD2 3.4Å; I202-Y206 PolarHBondContact O-N 3.45Å; A203-Y206 PolarHBondContact O-N 2.83Å; F204-Y206 PolarHBondContact O-N 2.67Å; Y206-S209 CarbonylContact O-C 3.56Å; Y206-S209 PolarHBondContact O-N 3.35Å; Y206-S210 WeakPolarHBondContact O-CB 3.43Å; Y206-S210 PolarHBondContact O-N 3.03Å; Y206-S210 PolarHBondContact O-OG 3.41Å; Y206-W217 HydrophobicContact CD1-CE3 4.12Å; Y206-W217 AromaticContact CD1-CH2 3.66Å; Y206-W217 HydrophobicContact CD1-CH2 3.66Å; Y206-W217 HydrophobicContact CD1-CZ2 4.21Å; Y206-W217 AromaticContact CD1-CZ3 3.6Å; Y206-W217 HydrophobicContact CD1-CZ3 3.6Å; Y206-W217 HydrophobicContact CE1-CD2 4.35Å; Y206-W217 AromaticContact CE1-CE3 3.98Å; Y206-W217 HydrophobicContact CE1-CE3 3.98Å; Y206-W217 HydrophobicContact CE1-CH2 4.31Å; Y206-W217 AromaticContact CE1-CZ3 3.96Å; Y206-W217 HydrophobicContact CE1-CZ3 3.96Å; Y206-Y268 HydrophobicContact CD1-CE1 4.44Å; Y206-Y268 HydrophobicContact CE1-CD1 4.05Å; Y206-Y268 AromaticContact CE1-CE1 3.78Å; Y206-Y268 HydrophobicContact CE1-CE1 3.78Å; Y206-Y268 AromaticContact CZ-CE1 3.86Å; Y206-W269 AromaticContact CE2-CE3 4Å; Y206-W269 HydrophobicContact CE2-CE3 4Å; Y206-W269 HydrophobicContact CE2-CZ3 4.04Å; Y206-V273 HydrophobicContact CE2-CG1 4.37Å; Y206-V273 HydrophobicContact CE2-CG2 4.22Å; Y206-F441 AromaticContact CD2-CD1 3.9Å; Y206-F441 HydrophobicContact CD2-CD1 3.9Å; Y206-F441 HydrophobicContact CE2-CB 4.18Å; Y206-F441 AromaticContact CE2-CD1 3.99Å; Y206-F441 HydrophobicContact CE2-CD1 3.99Å; Y206-F441 HydrophobicContact CE2-CG 4.43Å; Y206-F441 HydrophobicContact CG-CD1 4.4Å; Y206-F441 PolarHBondContact OH-O 3.3Å; Y206-P445 HydrophobicContact CE1-CB 4.45Å; Y206-P445 HydrophobicContact CE1-CG 4.34Å; Y206-F462 VanDerWaalsContact CB-CE1 3.46Å; Y206-F462 VanDerWaalsContact CB-CZ 3.44Å; Y206-F462 AromaticContact CD1-CE1 3.9Å; Y206-F462 HydrophobicContact CD1-CE1 3.9Å; Y206-F462 AromaticContact CD1-CE2 3.65Å; Y206-F462 HydrophobicContact CD1-CE2 3.65Å; Y206-F462 AromaticContact CD1-CZ 3.21Å; Y206-F462 HydrophobicContact CD1-CZ 3.21Å; Y206-F462 HydrophobicContact CE1-CZ 4.03Å; Y206-F462 HydrophobicContact CG-CD1 4.36Å; Y206-F462 AromaticContact CG-CE1 3.74Å; Y206-F462 HydrophobicContact CG-CE1 3.74Å; Y206-F462 HydrophobicContact CG-CE2 4.04Å; Y206-F462 AromaticContact CG-CZ 3.53Å; Y206-F462 HydrophobicContact CG-CZ 3.53Å
207	F	97.9	Very high	96	Very high	38 Å²	38	32.1 Å²	32.1	17%	0.167	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-50.1	172.9	174.4	-107.5	0	0	0	111.4	A203 F204 S210 M211 L459 F462 F463 I466	A203-F207 VanDerWaalsContact O-CB 3.27Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 3.22Å; F204-F207 PolarHBondContact O-N 3.08Å; F207-S210 WeakPolarHBondContact O-CB 3.43Å; F207-S210 PolarHBondContact O-N 2.71Å; F207-M211 HydrophobicContact CD1-CE 3.77Å; F207-M211 HydrophobicContact CE1-CE 3.23Å; F207-M211 HydrophobicContact CE2-CE 4.26Å; F207-M211 HydrophobicContact CG-CE 4.48Å; F207-M211 HydrophobicContact CZ-CE 3.52Å; F207-L459 HydrophobicContact CD2-CD2 3.81Å; F207-L459 HydrophobicContact CE2-CD2 3.73Å; F207-L459 HydrophobicContact CZ-CD2 4.44Å; F207-L459 VanDerWaalsContact O-CD2 3.32Å; F207-L459 WeakPolarHBondContact O-CD2 3.14Å; F207-F462 HydrophobicContact CB-CB 3.91Å; F207-F463 HydrophobicContact CD2-CB 3.94Å; F207-F463 HydrophobicContact CE2-CB 3.78Å; F207-F463 HydrophobicContact CE2-CD2 4.12Å; F207-F463 HydrophobicContact CE2-CG 4.21Å; F207-F463 HydrophobicContact CZ-CD2 4.21Å; F207-I466 HydrophobicContact CB-CD1 3.74Å; F207-I466 HydrophobicContact CD1-CD1 4.26Å; F207-I466 HydrophobicContact CG-CD1 3.97Å
208	F	97.8	Very high	95.8	Very high	96 Å²	96	32.5 Å²	32.5	42%	0.421	17%	0.168	S	C	.	.	H	α-helix	trans	-64.9	-39.3	174.6	-64.1	-53	0	0	0	112.1	F204 S210 M211	F204-F208 HydrophobicContact CB-CE2 4.21Å; F204-F208 HydrophobicContact CD1-CE2 4.02Å; F204-F208 HydrophobicContact CD1-CZ 4.21Å; F204-F208 WeakPolarHBondContact O-CD2 3.42Å; F204-F208 PolarHBondContact O-N 3.16Å; F208-S210 PolarHBondContact O-N 3.02Å; F208-M211 HydrophobicContact CD1-CE 3.85Å; F208-M211 HydrophobicContact CD1-SD 4.14Å; F208-M211 HydrophobicContact CE1-CE 4.29Å; F208-M211 WeakPolarHBondContact O-CB 3.26Å; F208-M211 PolarHBondContact O-N 3.4Å
209	S	97	Very high	95.4	Very high	25 Å²	25	37.1 Å²	37.1	18%	0.175	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-15.3	176.4	-57.2	0	0	0	0	113.7	Y205 Y206 T212	Y205-S209 VanDerWaalsContact O-CB 3.27Å; Y205-S209 WeakPolarHBondContact O-CB 3.29Å; Y205-S209 PolarHBondContact O-N 3.43Å; Y205-S209 PolarHBondContact O-OG 2.94Å; Y206-S209 CarbonylContact O-C 3.56Å; Y206-S209 PolarHBondContact O-N 3.35Å; S209-T212 WeakPolarHBondContact O-CG2 3.37Å
210	S	97.5	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.3	172.9	-56.3	0	0	0	0	113.2	Y206 F207 F208 T212 W217 S458	Y206-S210 WeakPolarHBondContact O-CB 3.43Å; Y206-S210 PolarHBondContact O-N 3.03Å; Y206-S210 PolarHBondContact O-OG 3.41Å; F207-S210 WeakPolarHBondContact O-CB 3.43Å; F207-S210 PolarHBondContact O-N 2.71Å; F208-S210 PolarHBondContact O-N 3.02Å; S210-T212 PolarHBondContact O-N 3.47Å; S210-W217 WeakPolarHBondContact OG-CH2 3.3Å; S210-S458 WeakPolarHBondContact OG-CB 3.21Å
211	M	96.3	Very high	94.6	Very high	111 Å²	111	44.4 Å²	44.4	55%	0.547	23%	0.226	S	C	.	.	S	Bend	trans	-80.6	57.4	179	-60.5	-175.6	-177	0	0	112	F207 F208 L459	F207-M211 HydrophobicContact CD1-CE 3.77Å; F207-M211 HydrophobicContact CE1-CE 3.23Å; F207-M211 HydrophobicContact CE2-CE 4.26Å; F207-M211 HydrophobicContact CG-CE 4.48Å; F207-M211 HydrophobicContact CZ-CE 3.52Å; F208-M211 HydrophobicContact CD1-CE 3.85Å; F208-M211 HydrophobicContact CD1-SD 4.14Å; F208-M211 HydrophobicContact CE1-CE 4.29Å; F208-M211 WeakPolarHBondContact O-CB 3.26Å; F208-M211 PolarHBondContact O-N 3.4Å; M211-L459 HydrophobicContact CE-CD2 4.23Å; M211-L459 HydrophobicContact CG-CD2 3.76Å
212	T	94.9	Very high	94.4	Very high	62 Å²	62	46.3 Å²	46.3	38%	0.38	24%	0.236	S	C	.	.	S	Bend	trans	-145.7	159.4	-173.7	172.7	0	0	0	0	110.2	S209 S210 V214 L215 P455	S209-T212 WeakPolarHBondContact O-CG2 3.37Å; S210-T212 PolarHBondContact O-N 3.47Å; T212-V214 VanDerWaalsContact C-N 3.33Å; T212-V214 WeakPolarHBondContact CG2-O 3.5Å; T212-V214 PolarHBondContact OG1-N 2.94Å; T212-V214 PolarHBondContact OG1-O 2.97Å; T212-L215 HydrophobicContact CG2-CD2 4.41Å; T212-P455 VanDerWaalsContact O-CB 3.28Å; T212-P455 WeakPolarHBondContact O-CB 3.36Å; T212-P455 WeakPolarHBondContact O-CG 3.34Å
213	H	91.3	Very high	94.2	Very high	174 Å²	174	52.2 Å²	52.2	81%	0.806	28%	0.275	S	S	*	.	S	Bend	trans	-74.6	-24.5	173.5	-164.7	-62.2	0	0	0	112.4
214	V	91.5	Very high	94	Very high	75 Å²	75	54.4 Å²	54.4	46%	0.455	28%	0.283	S	S	.	.	S	Bend	trans	-134.2	123.9	178.7	179	0	0	0	0	108.5	T212 Y219	T212-V214 VanDerWaalsContact C-N 3.33Å; T212-V214 WeakPolarHBondContact CG2-O 3.5Å; T212-V214 PolarHBondContact OG1-N 2.94Å; T212-V214 PolarHBondContact OG1-O 2.97Å; V214-Y219 HydrophobicContact CG1-CD2 4.09Å; V214-Y219 HydrophobicContact CG1-CE2 3.7Å
215	L	94.5	Very high	93.7	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	29%	0.286	C	S	.	.			trans	-65.7	135.9	-179	-66.7	176	0	0	0	110.9	T212 W217 A218 T449 P455 S458	T212-L215 HydrophobicContact CG2-CD2 4.41Å; L215-W217 HydrophobicContact CB-CD2 4.34Å; L215-W217 HydrophobicContact CB-CZ2 4.31Å; L215-W217 HydrophobicContact CD1-CZ2 4.07Å; L215-W217 HydrophobicContact CD2-CH2 4.04Å; L215-W217 HydrophobicContact CD2-CZ2 3.7Å; L215-W217 HydrophobicContact CG-CZ2 4.24Å; L215-W217 PolarHBondContact O-N 2.92Å; L215-W217 VanDerWaalsContact O-N 3.16Å; L215-A218 HydrophobicContact CB-CB 4.31Å; L215-A218 WeakPolarHBondContact O-CB 3.41Å; L215-A218 PolarHBondContact O-N 3.49Å; L215-A218 VanDerWaalsContact O-N 3.15Å; L215-T449 HydrophobicContact CD1-CG2 4.05Å; L215-P455 HydrophobicContact CD2-CB 4.35Å; L215-P455 HydrophobicContact CD2-CG 4.36Å; L215-P455 HydrophobicContact CG-CG 4.33Å; L215-S458 VanDerWaalsContact CD1-OG 3.25Å; L215-S458 WeakPolarHBondContact CD1-OG 3.28Å
216	P	94.3	Very high	93.4	Very high	31 Å²	31	56.8 Å²	56.8	20%	0.201	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.6	-178.3	-25.9	35.2	0	0	0	114.1	N222 W224 Y268	P216-N222 PolarHBondContact O-ND2 3.05Å; P216-N222 VanDerWaalsContact O-ND2 3.16Å; P216-W224 HydrophobicContact CB-CH2 4.39Å; P216-W224 HydrophobicContact CB-CZ2 4.3Å; P216-Y268 HydrophobicContact CB-CD2 4.01Å; P216-Y268 HydrophobicContact CB-CE2 3.43Å; P216-Y268 VanDerWaalsContact CB-CE2 3.43Å; P216-Y268 HydrophobicContact CG-CE2 4.31Å
217	W	94	Very high	92.7	Very high	1 Å²	1	68.6 Å²	68.6	0%	0.004	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	20	-178.6	56.4	85.3	0	0	0	114	Y206 S210 L215 Y268 P445 T449 F462	Y206-W217 HydrophobicContact CD1-CE3 4.12Å; Y206-W217 AromaticContact CD1-CH2 3.66Å; Y206-W217 HydrophobicContact CD1-CH2 3.66Å; Y206-W217 HydrophobicContact CD1-CZ2 4.21Å; Y206-W217 AromaticContact CD1-CZ3 3.6Å; Y206-W217 HydrophobicContact CD1-CZ3 3.6Å; Y206-W217 HydrophobicContact CE1-CD2 4.35Å; Y206-W217 AromaticContact CE1-CE3 3.98Å; Y206-W217 HydrophobicContact CE1-CE3 3.98Å; Y206-W217 HydrophobicContact CE1-CH2 4.31Å; Y206-W217 AromaticContact CE1-CZ3 3.96Å; Y206-W217 HydrophobicContact CE1-CZ3 3.96Å; S210-W217 WeakPolarHBondContact OG-CH2 3.3Å; L215-W217 HydrophobicContact CB-CD2 4.34Å; L215-W217 HydrophobicContact CB-CZ2 4.31Å; L215-W217 HydrophobicContact CD1-CZ2 4.07Å; L215-W217 HydrophobicContact CD2-CH2 4.04Å; L215-W217 HydrophobicContact CD2-CZ2 3.7Å; L215-W217 HydrophobicContact CG-CZ2 4.24Å; L215-W217 PolarHBondContact O-N 2.92Å; L215-W217 VanDerWaalsContact O-N 3.16Å; W217-Y268 HydrophobicContact CB-CD1 4.01Å; W217-Y268 HydrophobicContact CB-CG 3.95Å; W217-Y268 HydrophobicContact CD2-CD1 4.41Å; W217-Y268 HydrophobicContact CD2-CE1 4.42Å; W217-Y268 AromaticContact CE3-CD1 3.77Å; W217-Y268 HydrophobicContact CE3-CD1 3.77Å; W217-Y268 AromaticContact CE3-CE1 3.39Å; W217-Y268 HydrophobicContact CE3-CE1 3.39Å; W217-Y268 HydrophobicContact CE3-CG 4.48Å; W217-Y268 AromaticContact CE3-CZ 3.83Å; W217-Y268 AromaticContact CZ3-CE1 3.87Å; W217-Y268 HydrophobicContact CZ3-CE1 3.87Å; W217-P445 HydrophobicContact CD2-CB 4.4Å; W217-P445 HydrophobicContact CG-CB 4.36Å; W217-P445 HydrophobicContact CZ2-CB 4.4Å; W217-P445 PolarHBondContact NE1-O 2.73Å; W217-P445 VanDerWaalsContact NE1-O 3.08Å; W217-T449 VanDerWaalsContact CD1-CG2 3.42Å; W217-F462 HydrophobicContact CH2-CE2 4.09Å; W217-F462 AromaticContact CZ2-CE2 3.94Å; W217-F462 HydrophobicContact CZ2-CE2 3.94Å
218	A	90.3	Very high	92	Very high	8 Å²	8	70.1 Å²	70.1	7%	0.066	35%	0.354	C	S	.	.	S	Bend	trans	-87.5	-20.3	-179.5	0	0	0	0	0	115	L215 T449	L215-A218 HydrophobicContact CB-CB 4.31Å; L215-A218 WeakPolarHBondContact O-CB 3.41Å; L215-A218 PolarHBondContact O-N 3.49Å; L215-A218 VanDerWaalsContact O-N 3.15Å; A218-T449 HydrophobicContact CB-CG2 4.11Å
219	Y	88.6	Confident	91.4	Very high	100 Å²	100	66.4 Å²	66.4	39%	0.392	34%	0.34	S	S	.	.			trans	-144.3	155.3	-170	-58.7	-73.5	0	0	0	112.1	V214 N221 N222 N225 L233	V214-Y219 HydrophobicContact CG1-CD2 4.09Å; V214-Y219 HydrophobicContact CG1-CE2 3.7Å; Y219-N221 VanDerWaalsContact C-N 3.3Å; Y219-N221 WeakPolarHBondContact CB-OD1 3.42Å; Y219-N221 PolarHBondContact O-N 3.28Å; Y219-N222 PolarHBondContact O-ND2 3.33Å; Y219-N225 PolarHBondContact O-OD1 3.46Å; Y219-L233 HydrophobicContact CD1-CD1 4.18Å; Y219-L233 HydrophobicContact CE1-CD1 3.49Å; Y219-L233 VanDerWaalsContact CE1-CD1 3.49Å
220	C	88.4	Confident	90.6	Very high	29 Å²	29	66.9 Å²	66.9	20%	0.196	35%	0.346	C	S	.	.	S	Bend	trans	-84.9	12	176.6	-71.9	0	0	0	0	114.8	N225 C229 A230 G231	C220-N225 WeakPolarHBondContact CA-OD1 3.22Å; C220-N225 VanDerWaalsContact O-CB 3.26Å; C220-N225 WeakPolarHBondContact O-CB 3.3Å; C220-N225 PolarHBondContact O-OD1 3.01Å; C220-C229 VanDerWaalsContact CA-SG 3.53Å; C220-C229 HydrophobicContact CB-CB 3.66Å; C220-C229 WeakPolarHBondContact CB-SG 3.27Å; C220-C229 WeakPolarHBondContact SG-CB 3.22Å; C220-C229 PolarHBondContact SG-O 3.36Å; C220-C229 CovalentContact SG-SG 2.04Å; C220-C229 PolarHBondContact SG-SG 3.45Å; C220-A230 PolarHBondContact SG-N 3.18Å; C220-A230 VanDerWaalsContact SG-N 3.4Å; C220-G231 PolarHBondContact SG-N 3.31Å; C220-G231 VanDerWaalsContact SG-N 3.37Å
221	N	88.5	Confident	89.2	Confident	132 Å²	132	67 Å²	67	71%	0.706	35%	0.347	S	S	*	.			trans	-97.1	17	-172.9	69.5	-14	0	0	0	114.3	Y219	Y219-N221 VanDerWaalsContact C-N 3.3Å; Y219-N221 WeakPolarHBondContact CB-OD1 3.42Å; Y219-N221 PolarHBondContact O-N 3.28Å
222	N	91.3	Very high	87.6	Confident	41 Å²	41	62.2 Å²	62.2	22%	0.219	32%	0.324	C	S	.	.	S	Bend	trans	-91	159.9	-177.5	-58.5	-81.7	0	0	0	112.8	P216 Y219 W224 N225	P216-N222 PolarHBondContact O-ND2 3.05Å; P216-N222 VanDerWaalsContact O-ND2 3.16Å; Y219-N222 PolarHBondContact O-ND2 3.33Å; N222-W224 HydrophobicContact CB-CD2 3.63Å; N222-W224 HydrophobicContact CB-CE3 3.87Å; N222-W224 HydrophobicContact CB-CG 4.34Å; N222-W224 HydrophobicContact CB-CH2 3.62Å; N222-W224 HydrophobicContact CB-CZ2 3.32Å; N222-W224 HydrophobicContact CB-CZ3 3.88Å; N222-W224 PolarHBondContact O-N 2.88Å; N222-W224 WeakPolarHBondContact OD1-CH2 3.46Å; N222-W224 WeakPolarHBondContact OD1-CZ2 3.29Å; N222-N225 VanDerWaalsContact CB-OD1 3.25Å; N222-N225 WeakPolarHBondContact CB-OD1 3.33Å; N222-N225 PolarHBondContact N-OD1 2.9Å; N222-N225 PolarHBondContact ND2-OD1 3.26Å; N222-N225 PolarHBondContact O-N 3.4Å
223	P	93.1	Very high	85.8	Confident	131 Å²	131	61.9 Å²	61.9	85%	0.851	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.5	-179	-24.5	35.2	0	0	0	116.2
224	W	92.6	Very high	84.1	Confident	48 Å²	48	56.5 Å²	56.5	18%	0.182	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.2	177.3	57	81.2	0	0	0	113.5	P216 N222 Y268 L271 Y272	P216-W224 HydrophobicContact CB-CH2 4.39Å; P216-W224 HydrophobicContact CB-CZ2 4.3Å; N222-W224 HydrophobicContact CB-CD2 3.63Å; N222-W224 HydrophobicContact CB-CE3 3.87Å; N222-W224 HydrophobicContact CB-CG 4.34Å; N222-W224 HydrophobicContact CB-CH2 3.62Å; N222-W224 HydrophobicContact CB-CZ2 3.32Å; N222-W224 HydrophobicContact CB-CZ3 3.88Å; N222-W224 PolarHBondContact O-N 2.88Å; N222-W224 WeakPolarHBondContact OD1-CH2 3.46Å; N222-W224 WeakPolarHBondContact OD1-CZ2 3.29Å; W224-Y268 AromaticContact CE2-CD2 3.8Å; W224-Y268 HydrophobicContact CH2-CD2 4.42Å; W224-Y268 HydrophobicContact CH2-CE2 4.42Å; W224-Y268 AromaticContact CZ2-CD2 3.59Å; W224-Y268 HydrophobicContact CZ2-CD2 3.59Å; W224-Y268 AromaticContact CZ2-CE2 4Å; W224-Y268 HydrophobicContact CZ2-CE2 4Å; W224-Y268 AromaticContact NE1-CD2 3.92Å; W224-L271 HydrophobicContact CB-CB 4.42Å; W224-L271 VanDerWaalsContact O-CD1 3.29Å; W224-L271 WeakPolarHBondContact O-CD1 3.23Å; W224-Y272 HydrophobicContact CB-CD2 4.37Å; W224-Y272 AromaticContact CD2-CD2 3.64Å; W224-Y272 HydrophobicContact CD2-CD2 3.64Å; W224-Y272 HydrophobicContact CD2-CE2 4.41Å; W224-Y272 AromaticContact CD2-CG 3.84Å; W224-Y272 HydrophobicContact CD2-CG 3.84Å; W224-Y272 AromaticContact CE3-CD2 3.21Å; W224-Y272 HydrophobicContact CE3-CD2 3.21Å; W224-Y272 AromaticContact CE3-CE2 3.57Å; W224-Y272 HydrophobicContact CE3-CE2 3.57Å; W224-Y272 AromaticContact CE3-CG 3.83Å; W224-Y272 HydrophobicContact CE3-CG 3.83Å; W224-Y272 HydrophobicContact CG-CD2 4.16Å; W224-Y272 HydrophobicContact CG-CG 4.27Å; W224-Y272 HydrophobicContact CH2-CD2 4.49Å; W224-Y272 AromaticContact CZ3-CD2 3.7Å; W224-Y272 HydrophobicContact CZ3-CD2 3.7Å; W224-Y272 AromaticContact CZ3-CE2 3.62Å; W224-Y272 HydrophobicContact CZ3-CE2 3.62Å; W224-Y272 HydrophobicContact CZ3-CG 4.21Å
225	N	92.9	Very high	82.2	Confident	27 Å²	27	55.2 Å²	55.2	14%	0.144	29%	0.294	C	S	.	.			trans	-78.2	146.5	-176	-73.1	123.3	0	0	0	112.4	Y219 C220 N222 C229 E267	Y219-N225 PolarHBondContact O-OD1 3.46Å; C220-N225 WeakPolarHBondContact CA-OD1 3.22Å; C220-N225 VanDerWaalsContact O-CB 3.26Å; C220-N225 WeakPolarHBondContact O-CB 3.3Å; C220-N225 PolarHBondContact O-OD1 3.01Å; N222-N225 VanDerWaalsContact CB-OD1 3.25Å; N222-N225 WeakPolarHBondContact CB-OD1 3.33Å; N222-N225 PolarHBondContact N-OD1 2.9Å; N222-N225 PolarHBondContact ND2-OD1 3.26Å; N222-N225 PolarHBondContact O-N 3.4Å; N225-C229 HydrophobicContact CB-CB 4.4Å; N225-C229 PolarHBondContact ND2-SG 2.78Å; N225-C229 VanDerWaalsContact ND2-SG 3.39Å; N225-E267 WeakPolarHBondContact CA-OE2 3.32Å; N225-E267 WeakPolarHBondContact CB-OE2 3.34Å; N225-E267 PolarHBondContact ND2-OE2 3.22Å
226	T	89.9	Confident	79.9	Confident	60 Å²	60	57.7 Å²	57.7	37%	0.368	31%	0.311	S	S	.	.			trans	-92.6	177.2	174.7	80.5	0	0	0	0	111.3	D228 C229 E267 L271	T226-D228 PolarHBondContact O-N 3.01Å; T226-D228 PolarHBondContact OG1-N 3.43Å; T226-D228 VanDerWaalsContact OG1-N 3.09Å; T226-C229 WeakPolarHBondContact O-CB 3.27Å; T226-E267 WeakPolarHBondContact CB-OE1 3.17Å; T226-E267 WeakPolarHBondContact CG2-OE1 3.28Å; T226-E267 PolarHBondContact N-OE1 3.42Å; T226-E267 PolarHBondContact N-OE2 3.38Å; T226-E267 PolarHBondContact OG1-OE1 3.09Å; T226-L271 HydrophobicContact CG2-CD1 3.67Å
227	R	84.6	Confident	77.5	Confident	249 Å²	249	61.3 Å²	61.3	94%	0.94	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.1	172.7	-64.9	-176.2	180	-178.5	0.4	113.5
228	D	83.5	Confident	75.2	Confident	70 Å²	70	67 Å²	67	37%	0.374	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.5	-177.7	-55.1	-41.4	0	0	0	111.9	T226 A230 L259 R261 T262	T226-D228 PolarHBondContact O-N 3.01Å; T226-D228 PolarHBondContact OG1-N 3.43Å; T226-D228 VanDerWaalsContact OG1-N 3.09Å; D228-A230 PolarHBondContact O-N 3.06Å; D228-L259 WeakPolarHBondContact OD1-CD2 3.49Å; D228-R261 VanDerWaalsContact O-CA 3.29Å; D228-R261 WeakPolarHBondContact O-CA 3.44Å; D228-T262 PolarHBondContact O-N 2.82Å
229	C	85.1	Confident	73.1	Confident	17 Å²	17	72 Å²	72	12%	0.115	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-59.3	127.1	172.3	-168.1	0	0	0	0	111.3	C220 N225 T226 T262 E267	C220-C229 VanDerWaalsContact CA-SG 3.53Å; C220-C229 HydrophobicContact CB-CB 3.66Å; C220-C229 WeakPolarHBondContact CB-SG 3.27Å; C220-C229 WeakPolarHBondContact SG-CB 3.22Å; C220-C229 PolarHBondContact SG-O 3.36Å; C220-C229 CovalentContact SG-SG 2.04Å; C220-C229 PolarHBondContact SG-SG 3.45Å; N225-C229 HydrophobicContact CB-CB 4.4Å; N225-C229 PolarHBondContact ND2-SG 2.78Å; N225-C229 VanDerWaalsContact ND2-SG 3.39Å; T226-C229 WeakPolarHBondContact O-CB 3.27Å; C229-T262 WeakPolarHBondContact CA-O 3.26Å; C229-E267 VanDerWaalsContact CB-OE2 3.28Å; C229-E267 WeakPolarHBondContact CB-OE2 3.28Å
230	A	80.1	Confident	70.7	Confident	36 Å²	36	73.9 Å²	73.9	30%	0.298	41%	0.406	S	S	.	.			trans	-134	109.5	172.2	0	0	0	0	0	110.4	C220 D228 R261 T262	C220-A230 PolarHBondContact SG-N 3.18Å; C220-A230 VanDerWaalsContact SG-N 3.4Å; D228-A230 PolarHBondContact O-N 3.06Å; A230-R261 HydrophobicContact CB-CB 4.26Å; A230-R261 HydrophobicContact CB-CG 4.31Å; A230-T262 PolarHBondContact N-O 2.91Å
231	G	68.1	Low	68.3	Low	3 Å²	3	74.5 Å²	74.5	3%	0.031	42%	0.417	C	S	.	.			trans	-71.5	150.5	175.1	0	0	0	0	0	112.9	C220 L233 D234 A235	C220-G231 PolarHBondContact SG-N 3.31Å; C220-G231 VanDerWaalsContact SG-N 3.37Å; G231-L233 PolarHBondContact O-N 2.78Å; G231-D234 PolarHBondContact N-OD2 3.46Å; G231-D234 PolarHBondContact O-N 2.93Å; G231-D234 VanDerWaalsContact O-N 3.08Å; G231-A235 PolarHBondContact O-N 3.45Å
232	V	61.7	Low	65.9	Low	10 Å²	10	73.9 Å²	73.9	6%	0.061	42%	0.423	C	S	.	.	H	α-helix	trans	-52.7	-40.3	169.7	177.9	0	0	0	0	110.8	L425 E446 L450	V232-L425 HydrophobicContact CB-CD2 4.1Å; V232-L425 HydrophobicContact CG1-CD2 3.85Å; V232-L425 HydrophobicContact CG1-CG 4.08Å; V232-L425 HydrophobicContact CG2-CD1 4.15Å; V232-L425 HydrophobicContact CG2-CD2 3.85Å; V232-L425 HydrophobicContact CG2-CG 4.13Å; V232-E446 HydrophobicContact CG2-CG 4Å; V232-E446 WeakPolarHBondContact CG2-OE1 3.21Å; V232-L450 HydrophobicContact CB-CD2 3.75Å; V232-L450 HydrophobicContact CG1-CD1 3.97Å; V232-L450 HydrophobicContact CG1-CD2 3.44Å; V232-L450 VanDerWaalsContact CG1-CD2 3.44Å; V232-L450 HydrophobicContact CG1-CG 4.34Å; V232-L450 HydrophobicContact CG2-CD2 4.27Å
233	L	57.5	Low	63.4	Low	54 Å²	54	83 Å²	83	28%	0.283	45%	0.454	S	S	.	.	H	α-helix	trans	-69.7	-35.3	179.7	-60.9	173.3	0	0	0	112.3	Y219 G231 S236 L450	Y219-L233 HydrophobicContact CD1-CD1 4.18Å; Y219-L233 HydrophobicContact CE1-CD1 3.49Å; Y219-L233 VanDerWaalsContact CE1-CD1 3.49Å; G231-L233 PolarHBondContact O-N 2.78Å; L233-S236 PolarHBondContact O-N 2.8Å; L233-S236 PolarHBondContact O-OG 2.86Å; L233-L450 HydrophobicContact CD2-CD2 4.32Å
234	D	56.6	Low	60.7	Low	61 Å²	61	82.7 Å²	82.7	33%	0.326	45%	0.452	S	S	.	.	H	α-helix	trans	-73.2	-30.6	-178.6	-62.6	-48.6	0	0	0	112.5	G231 S236 N237 L238	G231-D234 PolarHBondContact N-OD2 3.46Å; G231-D234 PolarHBondContact O-N 2.93Å; G231-D234 VanDerWaalsContact O-N 3.08Å; D234-S236 PolarHBondContact O-N 3.36Å; D234-N237 PolarHBondContact O-N 2.98Å; D234-N237 VanDerWaalsContact O-N 3.1Å; D234-L238 PolarHBondContact O-N 2.91Å
235	A	51.5	Low	58.3	Low	49 Å²	49	84.4 Å²	84.4	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-58.3	-34.6	175.5	0	0	0	0	0	112.7	G231 N237 L238	G231-A235 PolarHBondContact O-N 3.45Å; A235-N237 VanDerWaalsContact C-N 3.3Å; A235-N237 PolarHBondContact O-N 3.01Å; A235-L238 PolarHBondContact O-N 3.31Å
236	S	46.1	Very low	56	Low	54 Å²	54	89.7 Å²	89.7	38%	0.378	51%	0.51	S	S	.	.	H	α-helix	trans	-68.3	-26.2	177.8	76.5	0	0	0	0	113.8	L233 D234 T239	L233-S236 PolarHBondContact O-N 2.8Å; L233-S236 PolarHBondContact O-OG 2.86Å; D234-S236 PolarHBondContact O-N 3.36Å; S236-T239 PolarHBondContact O-OG1 2.8Å
237	N	42.3	Very low	53.7	Low	108 Å²	108	93 Å²	93	58%	0.578	52%	0.524	S	S	*	.	H	α-helix	trans	-83	-27	175.2	-76.2	-37.8	0	0	0	112.1	D234 A235 T239 N240 G241	D234-N237 PolarHBondContact O-N 2.98Å; D234-N237 VanDerWaalsContact O-N 3.1Å; A235-N237 VanDerWaalsContact C-N 3.3Å; A235-N237 PolarHBondContact O-N 3.01Å; N237-T239 VanDerWaalsContact C-N 3.29Å; N237-T239 PolarHBondContact O-N 3.39Å; N237-N240 PolarHBondContact O-N 3.16Å; N237-G241 PolarHBondContact O-N 3.14Å
238	L	47.1	Very low	51.7	Low	121 Å²	121	85.6 Å²	85.6	63%	0.634	51%	0.509	S	S	*	.	H	α-helix	trans	-68.4	-24.9	174	-103.9	76.3	0	0	0	113.6	D234 A235	D234-L238 PolarHBondContact O-N 2.91Å; A235-L238 PolarHBondContact O-N 3.31Å
239	T	45.8	Very low	50	Low	112 Å²	112	86.5 Å²	86.5	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-82.4	-27.4	174.4	43.2	0	0	0	0	113.3	S236 N237	S236-T239 PolarHBondContact O-OG1 2.8Å; N237-T239 VanDerWaalsContact C-N 3.29Å; N237-T239 PolarHBondContact O-N 3.39Å
240	N	38	Very low	47.9	Very low	140 Å²	140	91.9 Å²	91.9	75%	0.749	55%	0.549	S	S	*	.	H	α-helix	trans	-98	-10.1	178.7	-73.9	-29.5	0	0	0	114.4	N237 S242	N237-N240 PolarHBondContact O-N 3.16Å; N240-S242 PolarHBondContact O-N 3.06Å
241	G	38.3	Very low	46.4	Very low	42 Å²	42	93.9 Å²	93.9	43%	0.433	55%	0.554	S	S	.	*	S	Bend	trans	-62.3	124.3	168.8	0	0	0	0	0	110.9	N237 R243	N237-G241 PolarHBondContact O-N 3.14Å; G241-R243 PolarHBondContact O-N 2.99Å
242	S	37.8	Very low	45.3	Very low	118 Å²	118	97 Å²	97	83%	0.825	58%	0.575	S	S	*	*			trans	-57.5	103.3	180	34	0	0	0	0	111.3	N240 P244	N240-S242 PolarHBondContact O-N 3.06Å; S242-P244 WeakPolarHBondContact O-CD 3.49Å; S242-P244 VanDerWaalsContact O-N 3.14Å
243	R	38.1	Very low	44.4	Very low	234 Å²	234	103 Å²	103	88%	0.883	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-51.1	116.8	175.9	-68.1	176.7	175	173.7	-2.3	110.2	G241 A245	G241-R243 PolarHBondContact O-N 2.99Å; R243-A245 PolarHBondContact O-N 3.48Å
244	P	37.6	Very low	43.5	Very low	123 Å²	123	106 Å²	106	80%	0.799	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-62.4	120.2	154.9	-11.7	28.4	0	0	0	106.1	S242	S242-P244 WeakPolarHBondContact O-CD 3.49Å; S242-P244 VanDerWaalsContact O-N 3.14Å
245	A	42.6	Very low	42.9	Very low	84 Å²	84	106.8 Å²	106.8	69%	0.694	62%	0.621	S	S	*	*	S	Bend	trans	-60.1	153.3	172.3	0	0	0	0	0	109.7	R243	R243-A245 PolarHBondContact O-N 3.48Å
246	T	44.1	Very low	42.5	Very low	139 Å²	139	110.3 Å²	110.3	85%	0.853	63%	0.634	S	S	*	*			trans	75.2	74.8	179.1	74.7	0	0	0	0	117.3
247	L	40.3	Very low	42	Very low	128 Å²	128	115.4 Å²	115.4	67%	0.67	65%	0.651	S	S	*	*			trans	-126.3	133	141.7	-128.5	82.4	0	0	0	108	L251	L247-L251 HydrophobicContact CD2-CD2 4.07Å
248	P	43.4	Very low	41.8	Very low	94 Å²	94	114.2 Å²	114.2	61%	0.61	65%	0.651	S	S	*	*			trans	-70.4	139.3	-175.4	26.9	-33.9	0	0	0	112.4	N250 L251	P248-N250 PolarHBondContact O-N 3.49Å; P248-L251 PolarHBondContact O-N 3.32Å
249	S	47.3	Very low	42	Very low	90 Å²	90	111.8 Å²	111.8	63%	0.629	64%	0.638	S	S	*	*	H	α-helix	trans	-57.3	-23	-171.1	48	0	0	0	0	115.8	S252	S249-S252 WeakPolarHBondContact CA-OG 3.48Å; S249-S252 PolarHBondContact O-OG 3.32Å
250	N	41.8	Very low	42.5	Very low	130 Å²	130	112.7 Å²	112.7	70%	0.695	64%	0.635	S	S	*	*	H	α-helix	trans	-72.2	-29.1	176.5	-70.5	-8.3	0	0	0	112.7	P248 L254	P248-N250 PolarHBondContact O-N 3.49Å; N250-L254 PolarHBondContact O-N 3.36Å
251	L	48	Very low	44	Very low	78 Å²	78	112.8 Å²	112.8	41%	0.408	63%	0.625	S	S	.	*	H	α-helix	trans	-77.7	-32.3	178.8	-168.8	61.3	0	0	0	111.8	L247 P248 H253 L254 L255	L247-L251 HydrophobicContact CD2-CD2 4.07Å; P248-L251 PolarHBondContact O-N 3.32Å; L251-H253 VanDerWaalsContact C-N 3.3Å; L251-H253 PolarHBondContact O-N 3.23Å; L251-L254 HydrophobicContact CD1-CB 4.43Å; L251-L254 PolarHBondContact O-N 3.36Å; L251-L255 HydrophobicContact CD1-CG 4.46Å; L251-L255 HydrophobicContact CD2-CD1 4.5Å; L251-L255 HydrophobicContact CG-CD1 3.98Å; L251-L255 HydrophobicContact CG-CG 4.28Å; L251-L255 WeakPolarHBondContact O-CB 3.17Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.24Å; L251-L255 PolarHBondContact O-N 3.27Å
252	S	46.2	Very low	46.1	Very low	67 Å²	67	111.9 Å²	111.9	47%	0.469	61%	0.611	S	S	.	*	H	α-helix	trans	-62.7	-34.8	171.9	36.5	0	0	0	0	112.9	S249 N256	S249-S252 WeakPolarHBondContact CA-OG 3.48Å; S249-S252 PolarHBondContact O-OG 3.32Å; S252-N256 WeakPolarHBondContact O-CB 3.44Å; S252-N256 PolarHBondContact O-N 3.48Å
253	H	41.1	Very low	48.4	Very low	137 Å²	137	107.6 Å²	107.6	63%	0.634	58%	0.581	S	S	*	*	H	α-helix	trans	-76.9	-31	177	-156.5	-59.8	0	0	0	112.5	L251 H257	L251-H253 VanDerWaalsContact C-N 3.3Å; L251-H253 PolarHBondContact O-N 3.23Å; H253-H257 PolarHBondContact O-N 3.1Å
254	L	38.6	Very low	50.8	Low	118 Å²	118	96.5 Å²	96.5	62%	0.618	54%	0.539	S	S	*	.	H	α-helix	trans	-68	-44.8	169.6	-89	161.5	0	0	0	111.8	N250 L251 H257 S258	N250-L254 PolarHBondContact O-N 3.36Å; L251-L254 HydrophobicContact CD1-CB 4.43Å; L251-L254 PolarHBondContact O-N 3.36Å; L254-H257 CarbonylContact O-C 3.4Å; L254-H257 PolarHBondContact O-N 2.91Å; L254-H257 VanDerWaalsContact O-N 3.07Å; L254-S258 WeakPolarHBondContact O-CB 3.37Å; L254-S258 PolarHBondContact O-N 3.27Å; L254-S258 PolarHBondContact O-OG 3.08Å
255	L	44.5	Very low	53.4	Low	76 Å²	76	90.7 Å²	90.7	40%	0.398	50%	0.501	S	S	.	.	H	α-helix	trans	-68.3	-34.9	-179.8	-72.3	170.3	0	0	0	113.2	L251 H257 S258 L259	L251-L255 HydrophobicContact CD1-CG 4.46Å; L251-L255 HydrophobicContact CD2-CD1 4.5Å; L251-L255 HydrophobicContact CG-CD1 3.98Å; L251-L255 HydrophobicContact CG-CG 4.28Å; L251-L255 WeakPolarHBondContact O-CB 3.17Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.24Å; L251-L255 PolarHBondContact O-N 3.27Å; L255-H257 PolarHBondContact O-N 3.41Å; L255-S258 PolarHBondContact O-N 3.26Å; L255-S258 PolarHBondContact O-OG 3.06Å; L255-L259 PolarHBondContact O-N 3Å
256	N	42.4	Very low	55.6	Low	124 Å²	124	88.5 Å²	88.5	66%	0.663	48%	0.477	S	S	*	.	H	α-helix	trans	-65.8	-21.6	170.9	-107.2	6.1	0	0	0	113.1	S252	S252-N256 WeakPolarHBondContact O-CB 3.44Å; S252-N256 PolarHBondContact O-N 3.48Å
257	H	37.2	Very low	57.9	Low	160 Å²	160	82.1 Å²	82.1	74%	0.741	44%	0.438	S	S	*	.	H	α-helix	trans	-99.6	-13.6	-179.6	-135.5	-61.2	0	0	0	113.2	H253 L254 L255	H253-H257 PolarHBondContact O-N 3.1Å; L254-H257 CarbonylContact O-C 3.4Å; L254-H257 PolarHBondContact O-N 2.91Å; L254-H257 VanDerWaalsContact O-N 3.07Å; L255-H257 PolarHBondContact O-N 3.41Å
258	S	38.4	Very low	60.5	Low	84 Å²	84	76.1 Å²	76.1	59%	0.587	41%	0.406	S	S	*	.	H	α-helix	trans	-102	-16.1	179.8	72.6	0	0	0	0	114.6	L254 L255	L254-S258 WeakPolarHBondContact O-CB 3.37Å; L254-S258 PolarHBondContact O-N 3.27Å; L254-S258 PolarHBondContact O-OG 3.08Å; L255-S258 PolarHBondContact O-N 3.26Å; L255-S258 PolarHBondContact O-OG 3.06Å
259	L	50.3	Low	62.9	Low	69 Å²	69	71.8 Å²	71.8	36%	0.361	38%	0.378	S	S	.	.			trans	-105.9	97.6	176.3	-79.3	153.9	0	0	0	109.5	D228 L255 R261	D228-L259 WeakPolarHBondContact OD1-CD2 3.49Å; L255-L259 PolarHBondContact O-N 3Å; L259-R261 PolarHBondContact O-N 3.09Å
260	Q	56.4	Low	65.1	Low	132 Å²	132	71.4 Å²	71.4	62%	0.617	36%	0.362	S	S	*	.			trans	-74.1	79.2	173.8	-173.7	174.7	-9.2	0	0	109.4	H602	Q260-H602 PolarHBondContact NE2-NE2 3.48Å
261	R	69.9	Low	67.6	Low	141 Å²	141	68.9 Å²	68.9	53%	0.532	35%	0.348	S	S	.	.			trans	-62.3	133.7	-177	-68.9	-179.6	179.2	179.5	0.3	112	D228 A230 L259	D228-R261 VanDerWaalsContact O-CA 3.29Å; D228-R261 WeakPolarHBondContact O-CA 3.44Å; A230-R261 HydrophobicContact CB-CB 4.26Å; A230-R261 HydrophobicContact CB-CG 4.31Å; L259-R261 PolarHBondContact O-N 3.09Å
262	T	81.1	Confident	69.8	Low	23 Å²	23	69.4 Å²	69.4	14%	0.141	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-109.9	150.7	179.9	44.4	0	0	0	0	110.4	D228 C229 A230 E267	D228-T262 PolarHBondContact O-N 2.82Å; C229-T262 WeakPolarHBondContact CA-O 3.26Å; A230-T262 PolarHBondContact N-O 2.91Å; T262-E267 PolarHBondContact OG1-OE1 3.44Å
263	S	86.3	Confident	72.1	Confident	29 Å²	29	66.4 Å²	66.4	20%	0.203	32%	0.324	C	S	.	.			trans	-81.1	155.6	174.5	69.8	0	0	0	0	111.6	S265 E266 E267	S263-S265 PolarHBondContact O-N 2.93Å; S263-S265 PolarHBondContact OG-OG 3.21Å; S263-E266 PolarHBondContact O-N 3.36Å; S263-E266 VanDerWaalsContact O-N 3.12Å; S263-E266 WeakPolarHBondContact OG-CB 3.28Å; S263-E266 PolarHBondContact OG-N 3.26Å; S263-E267 PolarHBondContact O-N 2.93Å
264	P	90.2	Very high	74.6	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-57.2	-36.6	173.8	-17.6	25.5	0	0	0	112.6	Y268	P264-Y268 VanDerWaalsContact O-CB 3.26Å; P264-Y268 WeakPolarHBondContact O-CB 3.18Å; P264-Y268 PolarHBondContact O-N 3.05Å
265	S	91.1	Very high	77.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-38	174	53.7	0	0	0	0	114.1	S263 Y268 W269 V442 E446	S263-S265 PolarHBondContact O-N 2.93Å; S263-S265 PolarHBondContact OG-OG 3.21Å; S265-Y268 PolarHBondContact O-N 3.43Å; S265-W269 WeakPolarHBondContact O-CB 3.2Å; S265-W269 PolarHBondContact O-N 2.89Å; S265-V442 WeakPolarHBondContact CB-O 3.42Å; S265-V442 WeakPolarHBondContact OG-CG1 3.4Å; S265-V442 PolarHBondContact OG-O 3.16Å; S265-E446 WeakPolarHBondContact CB-OE2 3.07Å; S265-E446 PolarHBondContact N-OE2 3.28Å; S265-E446 WeakPolarHBondContact OG-CB 3.29Å; S265-E446 PolarHBondContact OG-OE2 2.91Å
266	E	89.4	Confident	79.5	Confident	38 Å²	38	57 Å²	57	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-42.3	178	-162.2	-157.7	152.8	0	0	110.2	S263 W269 R270 V442	S263-E266 PolarHBondContact O-N 3.36Å; S263-E266 VanDerWaalsContact O-N 3.12Å; S263-E266 WeakPolarHBondContact OG-CB 3.28Å; S263-E266 PolarHBondContact OG-N 3.26Å; E266-W269 PolarHBondContact O-N 3.19Å; E266-R270 HydrophobicContact CG-CG 4.41Å; E266-R270 WeakPolarHBondContact O-CB 3.41Å; E266-R270 WeakPolarHBondContact O-CG 3.36Å; E266-R270 PolarHBondContact O-N 2.92Å; E266-R270 WeakPolarHBondContact OE1-CD 3.24Å; E266-R270 IonicContact OE1-CZ 3.87Å; E266-R270 IonicContact OE1-NE 3.36Å; E266-R270 IonicContact OE1-NH1 3.98Å; E266-R270 PolarHBondContact OE1-NH1 3.39Å; E266-V442 HydrophobicContact CB-CG1 3.82Å; E266-V442 HydrophobicContact CG-CG1 4.28Å
267	E	92.3	Very high	81.9	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-67.9	-39.6	175.1	-68.3	-159.7	160.1	0	0	112.4	N225 T226 C229 T262 S263 W269 R270 L271	N225-E267 WeakPolarHBondContact CA-OE2 3.32Å; N225-E267 WeakPolarHBondContact CB-OE2 3.34Å; N225-E267 PolarHBondContact ND2-OE2 3.22Å; T226-E267 WeakPolarHBondContact CB-OE1 3.17Å; T226-E267 WeakPolarHBondContact CG2-OE1 3.28Å; T226-E267 PolarHBondContact N-OE1 3.42Å; T226-E267 PolarHBondContact N-OE2 3.38Å; T226-E267 PolarHBondContact OG1-OE1 3.09Å; C229-E267 VanDerWaalsContact CB-OE2 3.28Å; C229-E267 WeakPolarHBondContact CB-OE2 3.28Å; T262-E267 PolarHBondContact OG1-OE1 3.44Å; S263-E267 PolarHBondContact O-N 2.93Å; E267-W269 VanDerWaalsContact C-N 3.35Å; E267-W269 PolarHBondContact O-N 2.84Å; E267-R270 PolarHBondContact O-N 3.49Å; E267-L271 HydrophobicContact CB-CD1 4.14Å; E267-L271 HydrophobicContact CG-CD1 4.19Å; E267-L271 WeakPolarHBondContact O-CA 3.36Å; E267-L271 VanDerWaalsContact O-CB 3.24Å; E267-L271 WeakPolarHBondContact O-CB 3.4Å; E267-L271 PolarHBondContact O-N 3.41Å
268	Y	95	Very high	84.5	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.008	25%	0.246	C	C	.	.	I	π-helix	trans	-58	-48.7	172.3	-179	-104.9	0	0	0	110.9	Y205 Y206 P216 W217 W224 P264 S265 Y272 V273	Y205-Y268 HydrophobicContact CE1-CE1 4.41Å; Y205-Y268 WeakPolarHBondContact CE1-OH 3.5Å; Y205-Y268 PolarHBondContact OH-OH 3.48Å; Y206-Y268 HydrophobicContact CD1-CE1 4.44Å; Y206-Y268 HydrophobicContact CE1-CD1 4.05Å; Y206-Y268 AromaticContact CE1-CE1 3.78Å; Y206-Y268 HydrophobicContact CE1-CE1 3.78Å; Y206-Y268 AromaticContact CZ-CE1 3.86Å; P216-Y268 HydrophobicContact CB-CD2 4.01Å; P216-Y268 HydrophobicContact CB-CE2 3.43Å; P216-Y268 VanDerWaalsContact CB-CE2 3.43Å; P216-Y268 HydrophobicContact CG-CE2 4.31Å; W217-Y268 HydrophobicContact CB-CD1 4.01Å; W217-Y268 HydrophobicContact CB-CG 3.95Å; W217-Y268 HydrophobicContact CD2-CD1 4.41Å; W217-Y268 HydrophobicContact CD2-CE1 4.42Å; W217-Y268 AromaticContact CE3-CD1 3.77Å; W217-Y268 HydrophobicContact CE3-CD1 3.77Å; W217-Y268 AromaticContact CE3-CE1 3.39Å; W217-Y268 HydrophobicContact CE3-CE1 3.39Å; W217-Y268 HydrophobicContact CE3-CG 4.48Å; W217-Y268 AromaticContact CE3-CZ 3.83Å; W217-Y268 AromaticContact CZ3-CE1 3.87Å; W217-Y268 HydrophobicContact CZ3-CE1 3.87Å; W224-Y268 AromaticContact CE2-CD2 3.8Å; W224-Y268 HydrophobicContact CH2-CD2 4.42Å; W224-Y268 HydrophobicContact CH2-CE2 4.42Å; W224-Y268 AromaticContact CZ2-CD2 3.59Å; W224-Y268 HydrophobicContact CZ2-CD2 3.59Å; W224-Y268 AromaticContact CZ2-CE2 4Å; W224-Y268 HydrophobicContact CZ2-CE2 4Å; W224-Y268 AromaticContact NE1-CD2 3.92Å; P264-Y268 VanDerWaalsContact O-CB 3.26Å; P264-Y268 WeakPolarHBondContact O-CB 3.18Å; P264-Y268 PolarHBondContact O-N 3.05Å; S265-Y268 PolarHBondContact O-N 3.43Å; Y268-Y272 AromaticContact CD2-CD1 3.82Å; Y268-Y272 HydrophobicContact CD2-CD1 3.82Å; Y268-Y272 HydrophobicContact CD2-CG 4.21Å; Y268-Y272 AromaticContact CE2-CD1 3.28Å; Y268-Y272 HydrophobicContact CE2-CD1 3.28Å; Y268-Y272 AromaticContact CE2-CE1 3.81Å; Y268-Y272 HydrophobicContact CE2-CE1 3.81Å; Y268-Y272 HydrophobicContact CE2-CG 4.09Å; Y268-Y272 AromaticContact CZ-CD1 3.95Å; Y268-Y272 WeakPolarHBondContact O-CA 3.42Å; Y268-Y272 WeakPolarHBondContact O-CB 3.19Å; Y268-Y272 PolarHBondContact O-N 2.72Å; Y268-Y272 VanDerWaalsContact O-N 3.11Å; Y268-V273 HydrophobicContact CD1-CG2 3.63Å; Y268-V273 HydrophobicContact CE1-CG2 3.3Å; Y268-V273 HydrophobicContact CE2-CG2 4.36Å; Y268-V273 HydrophobicContact CG-CG2 4.29Å; Y268-V273 WeakPolarHBondContact O-CG2 3.35Å; Y268-V273 PolarHBondContact O-N 2.92Å
269	W	94	Very high	87	Confident	3 Å²	3	49 Å²	49	1%	0.011	23%	0.232	C	C	.	.	I	π-helix	trans	-58.1	-55.4	176.5	174.9	-116.2	0	0	0	112.4	I202 Y206 S265 E266 E267 V273 L274 P437 F441 V442 I521 Y600	I202-W269 HydrophobicContact CD1-CH2 4.19Å; I202-W269 HydrophobicContact CG2-CH2 4.03Å; I202-W269 HydrophobicContact CG2-CZ3 3.61Å; Y206-W269 AromaticContact CE2-CE3 4Å; Y206-W269 HydrophobicContact CE2-CE3 4Å; Y206-W269 HydrophobicContact CE2-CZ3 4.04Å; S265-W269 WeakPolarHBondContact O-CB 3.2Å; S265-W269 PolarHBondContact O-N 2.89Å; E266-W269 PolarHBondContact O-N 3.19Å; E267-W269 VanDerWaalsContact C-N 3.35Å; E267-W269 PolarHBondContact O-N 2.84Å; W269-V273 HydrophobicContact CE3-CG1 4.43Å; W269-L274 HydrophobicContact CD2-CD1 3.98Å; W269-L274 HydrophobicContact CD2-CG 4.27Å; W269-L274 HydrophobicContact CE3-CG 4.44Å; W269-L274 HydrophobicContact CG-CD1 4.39Å; W269-L274 HydrophobicContact CH2-CD1 4.47Å; W269-L274 HydrophobicContact CH2-CD2 4.46Å; W269-L274 HydrophobicContact CZ2-CD1 3.84Å; W269-L274 HydrophobicContact CZ2-CG 4.46Å; W269-L274 WeakPolarHBondContact O-CB 3.47Å; W269-L274 WeakPolarHBondContact O-CG 3.35Å; W269-L274 PolarHBondContact O-N 3.04Å; W269-P437 HydrophobicContact CZ2-CB 4.48Å; W269-F441 HydrophobicContact CD2-CB 4.3Å; W269-F441 HydrophobicContact CE3-CB 3.74Å; W269-F441 HydrophobicContact CH2-CB 3.96Å; W269-F441 AromaticContact CH2-CD2 3.85Å; W269-F441 HydrophobicContact CH2-CD2 3.85Å; W269-F441 HydrophobicContact CH2-CG 4.06Å; W269-F441 HydrophobicContact CZ3-CB 3.55Å; W269-F441 HydrophobicContact CZ3-CD2 4.11Å; W269-F441 AromaticContact CZ3-CG 3.84Å; W269-F441 HydrophobicContact CZ3-CG 3.84Å; W269-V442 HydrophobicContact CB-CG2 3.67Å; W269-V442 HydrophobicContact CD2-CG2 4.45Å; W269-V442 HydrophobicContact CG-CG2 3.7Å; W269-I521 HydrophobicContact CZ2-CD1 3.96Å; W269-I521 HydrophobicContact CZ2-CG1 4.35Å; W269-Y600 PolarHBondContact NE1-OH 3.41Å; W269-Y600 VanDerWaalsContact NE1-OH 3.15Å
270	R	92.7	Very high	89.1	Confident	82 Å²	82	45.7 Å²	45.7	31%	0.309	21%	0.214	S	C	.	.	I	π-helix	trans	-75.1	-48.5	-172.6	-66.4	175.6	66.5	-175	-6	112.7	E266 E267 K275 L276	E266-R270 HydrophobicContact CG-CG 4.41Å; E266-R270 WeakPolarHBondContact O-CB 3.41Å; E266-R270 WeakPolarHBondContact O-CG 3.36Å; E266-R270 PolarHBondContact O-N 2.92Å; E266-R270 WeakPolarHBondContact OE1-CD 3.24Å; E266-R270 IonicContact OE1-CZ 3.87Å; E266-R270 IonicContact OE1-NE 3.36Å; E266-R270 IonicContact OE1-NH1 3.98Å; E266-R270 PolarHBondContact OE1-NH1 3.39Å; E267-R270 PolarHBondContact O-N 3.49Å; R270-K275 CarbonylContact O-C 3.54Å; R270-K275 VanDerWaalsContact O-CA 3.3Å; R270-K275 WeakPolarHBondContact O-CA 3.35Å; R270-K275 PolarHBondContact O-N 3.27Å; R270-K275 VanDerWaalsContact O-N 3.13Å; R270-L276 PolarHBondContact O-N 2.65Å
271	L	93.8	Very high	90.8	Very high	77 Å²	77	41.2 Å²	41.2	40%	0.403	20%	0.204	S	C	.	.	I	π-helix	trans	-94.6	-24.1	-168.5	-53	178.6	0	0	0	113.4	W224 T226 E267 K275	W224-L271 HydrophobicContact CB-CB 4.42Å; W224-L271 VanDerWaalsContact O-CD1 3.29Å; W224-L271 WeakPolarHBondContact O-CD1 3.23Å; T226-L271 HydrophobicContact CG2-CD1 3.67Å; E267-L271 HydrophobicContact CB-CD1 4.14Å; E267-L271 HydrophobicContact CG-CD1 4.19Å; E267-L271 WeakPolarHBondContact O-CA 3.36Å; E267-L271 VanDerWaalsContact O-CB 3.24Å; E267-L271 WeakPolarHBondContact O-CB 3.4Å; E267-L271 PolarHBondContact O-N 3.41Å; L271-K275 WeakPolarHBondContact O-CG 3.01Å
272	Y	94.7	Very high	91.9	Very high	89 Å²	89	38.5 Å²	38.5	35%	0.349	20%	0.2	S	C	.	.	I	π-helix	trans	-109	-56.7	-179.4	-171.6	-101	0	0	0	114	Y205 W224 Y268 R287	Y205-Y272 VanDerWaalsContact OH-CE1 3.25Å; Y205-Y272 WeakPolarHBondContact OH-CE1 3.32Å; W224-Y272 HydrophobicContact CB-CD2 4.37Å; W224-Y272 AromaticContact CD2-CD2 3.64Å; W224-Y272 HydrophobicContact CD2-CD2 3.64Å; W224-Y272 HydrophobicContact CD2-CE2 4.41Å; W224-Y272 AromaticContact CD2-CG 3.84Å; W224-Y272 HydrophobicContact CD2-CG 3.84Å; W224-Y272 AromaticContact CE3-CD2 3.21Å; W224-Y272 HydrophobicContact CE3-CD2 3.21Å; W224-Y272 AromaticContact CE3-CE2 3.57Å; W224-Y272 HydrophobicContact CE3-CE2 3.57Å; W224-Y272 AromaticContact CE3-CG 3.83Å; W224-Y272 HydrophobicContact CE3-CG 3.83Å; W224-Y272 HydrophobicContact CG-CD2 4.16Å; W224-Y272 HydrophobicContact CG-CG 4.27Å; W224-Y272 HydrophobicContact CH2-CD2 4.49Å; W224-Y272 AromaticContact CZ3-CD2 3.7Å; W224-Y272 HydrophobicContact CZ3-CD2 3.7Å; W224-Y272 AromaticContact CZ3-CE2 3.62Å; W224-Y272 HydrophobicContact CZ3-CE2 3.62Å; W224-Y272 HydrophobicContact CZ3-CG 4.21Å; Y268-Y272 AromaticContact CD2-CD1 3.82Å; Y268-Y272 HydrophobicContact CD2-CD1 3.82Å; Y268-Y272 HydrophobicContact CD2-CG 4.21Å; Y268-Y272 AromaticContact CE2-CD1 3.28Å; Y268-Y272 HydrophobicContact CE2-CD1 3.28Å; Y268-Y272 AromaticContact CE2-CE1 3.81Å; Y268-Y272 HydrophobicContact CE2-CE1 3.81Å; Y268-Y272 HydrophobicContact CE2-CG 4.09Å; Y268-Y272 AromaticContact CZ-CD1 3.95Å; Y268-Y272 WeakPolarHBondContact O-CA 3.42Å; Y268-Y272 WeakPolarHBondContact O-CB 3.19Å; Y268-Y272 PolarHBondContact O-N 2.72Å; Y268-Y272 VanDerWaalsContact O-N 3.11Å; Y272-R287 PolarHBondContact O-NH2 3.43Å
273	V	95.1	Very high	92.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	21%	0.209	C	C	.	.	I	π-helix	trans	-66.2	-64	-177.1	-177.8	0	0	0	0	109.7	Y205 Y206 Y268 W269 R287 L290	Y205-V273 HydrophobicContact CD1-CG1 3.99Å; Y205-V273 HydrophobicContact CD1-CG2 4.35Å; Y205-V273 HydrophobicContact CE1-CB 4.26Å; Y205-V273 HydrophobicContact CE1-CG1 3.85Å; Y205-V273 HydrophobicContact CE1-CG2 3.56Å; Y206-V273 HydrophobicContact CE2-CG1 4.37Å; Y206-V273 HydrophobicContact CE2-CG2 4.22Å; Y268-V273 HydrophobicContact CD1-CG2 3.63Å; Y268-V273 HydrophobicContact CE1-CG2 3.3Å; Y268-V273 HydrophobicContact CE2-CG2 4.36Å; Y268-V273 HydrophobicContact CG-CG2 4.29Å; Y268-V273 WeakPolarHBondContact O-CG2 3.35Å; Y268-V273 PolarHBondContact O-N 2.92Å; W269-V273 HydrophobicContact CE3-CG1 4.43Å; V273-R287 PolarHBondContact O-NE 3.4Å; V273-R287 PolarHBondContact O-NH2 3.04Å; V273-L290 HydrophobicContact CG1-CD1 4.42Å; V273-L290 HydrophobicContact CG1-CD2 4.15Å
274	L	93.4	Very high	92.7	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	22%	0.22	C	C	.	.	S	Bend	trans	-75.5	-36.3	-178.8	-61.9	179.5	0	0	0	112.6	W269 L276 R287 I521	W269-L274 HydrophobicContact CD2-CD1 3.98Å; W269-L274 HydrophobicContact CD2-CG 4.27Å; W269-L274 HydrophobicContact CE3-CG 4.44Å; W269-L274 HydrophobicContact CG-CD1 4.39Å; W269-L274 HydrophobicContact CH2-CD1 4.47Å; W269-L274 HydrophobicContact CH2-CD2 4.46Å; W269-L274 HydrophobicContact CZ2-CD1 3.84Å; W269-L274 HydrophobicContact CZ2-CG 4.46Å; W269-L274 WeakPolarHBondContact O-CB 3.47Å; W269-L274 WeakPolarHBondContact O-CG 3.35Å; W269-L274 PolarHBondContact O-N 3.04Å; L274-L276 VanDerWaalsContact C-N 3.26Å; L274-L276 HydrophobicContact CB-CB 4.49Å; L274-R287 WeakPolarHBondContact O-CD 3.29Å; L274-R287 PolarHBondContact O-NE 2.96Å; L274-I521 HydrophobicContact CD1-CB 3.94Å; L274-I521 HydrophobicContact CD1-CG1 4.28Å; L274-I521 HydrophobicContact CD1-CG2 3.86Å; L274-I521 HydrophobicContact CD2-CB 4.45Å
275	K	93.7	Very high	92.9	Very high	90 Å²	90	47.7 Å²	47.7	39%	0.391	25%	0.248	S	C	.	.			trans	45.9	54.7	-160	-70.4	-169.4	177.7	-170.8	0	110.4	R270 L271 S277 Q518	R270-K275 CarbonylContact O-C 3.54Å; R270-K275 VanDerWaalsContact O-CA 3.3Å; R270-K275 WeakPolarHBondContact O-CA 3.35Å; R270-K275 PolarHBondContact O-N 3.27Å; R270-K275 VanDerWaalsContact O-N 3.13Å; L271-K275 WeakPolarHBondContact O-CG 3.01Å; K275-S277 PolarHBondContact O-N 2.66Å; K275-Q518 HydrophobicContact CB-CG 4.17Å; K275-Q518 VanDerWaalsContact O-CB 3.3Å; K275-Q518 WeakPolarHBondContact O-CB 3.31Å; K275-Q518 WeakPolarHBondContact O-CG 3.28Å; K275-Q518 PolarHBondContact O-NE2 2.62Å
276	L	92.3	Very high	93.2	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.188	26%	0.264	C	S	.	.			trans	-47	131.2	-167.8	-173.5	64.1	0	0	0	112.7	R270 L274 I521 Y522 Y600	R270-L276 PolarHBondContact O-N 2.65Å; L274-L276 VanDerWaalsContact C-N 3.26Å; L274-L276 HydrophobicContact CB-CB 4.49Å; L276-I521 HydrophobicContact CD1-CG2 3.39Å; L276-Y522 HydrophobicContact CD1-CD2 4.39Å; L276-Y522 HydrophobicContact CD1-CE1 4.46Å; L276-Y522 HydrophobicContact CD1-CE2 3.7Å; L276-Y522 HydrophobicContact CG-CE2 4.33Å; L276-Y600 HydrophobicContact CD2-CE1 4.02Å
277	S	93.5	Very high	93.5	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.049	26%	0.26	C	S	.	.			trans	-80.1	161.8	173.2	62.4	0	0	0	0	112.4	K275 D279 N282 Q518 A519 Y522	K275-S277 PolarHBondContact O-N 2.66Å; S277-D279 VanDerWaalsContact C-N 3.31Å; S277-D279 PolarHBondContact O-N 3.38Å; S277-D279 PolarHBondContact OG-O 2.94Å; S277-N282 WeakPolarHBondContact CB-O 3.36Å; S277-N282 PolarHBondContact OG-O 2.89Å; S277-Q518 PolarHBondContact N-O 3.3Å; S277-A519 WeakPolarHBondContact OG-CA 3.48Å; S277-A519 WeakPolarHBondContact OG-CB 3.41Å; S277-A519 PolarHBondContact OG-N 3.03Å; S277-Y522 VanDerWaalsContact O-CE2 3.3Å; S277-Y522 WeakPolarHBondContact O-CE2 3.02Å; S277-Y522 PolarHBondContact O-OH 2.94Å
278	D	90.4	Very high	93.7	Very high	140 Å²	140	55.4 Å²	55.4	75%	0.749	29%	0.29	S	S	*	.	S	Bend	trans	-69.2	-27.6	-178.8	-51.8	-57.6	0	0	0	113.4
279	D	91.5	Very high	93.7	Very high	53 Å²	53	58.4 Å²	58.4	28%	0.283	31%	0.31	S	S	.	.	S	Bend	trans	-148.2	150	-174.7	-176.7	64.3	0	0	0	112.6	S277 G281 N282 Y603	S277-D279 VanDerWaalsContact C-N 3.31Å; S277-D279 PolarHBondContact O-N 3.38Å; S277-D279 PolarHBondContact OG-O 2.94Å; D279-G281 PolarHBondContact O-N 2.95Å; D279-G281 WeakPolarHBondContact OD2-CA 3.23Å; D279-G281 PolarHBondContact OD2-N 3.21Å; D279-N282 PolarHBondContact O-N 3.11Å; D279-Y603 PolarHBondContact OD1-OH 3.37Å
280	I	93.6	Very high	93.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.6	177	-171.1	171.3	0	0	0	114	N282 Y522 W523 L526 Y603 Y605 P606 W608 A609	I280-N282 VanDerWaalsContact C-N 3.35Å; I280-Y522 HydrophobicContact CB-CD2 4.36Å; I280-Y522 HydrophobicContact CB-CG 4.29Å; I280-W523 HydrophobicContact CD1-CD2 4.01Å; I280-W523 HydrophobicContact CD1-CE3 4.42Å; I280-W523 HydrophobicContact CD1-CG 4.28Å; I280-W523 HydrophobicContact CD1-CZ2 4.35Å; I280-W523 HydrophobicContact CG1-CD2 4.03Å; I280-W523 HydrophobicContact CG1-CG 4.15Å; I280-W523 HydrophobicContact CG1-CZ2 4.03Å; I280-W523 VanDerWaalsContact CG1-NE1 3.33Å; I280-W523 PolarHBondContact O-NE1 2.73Å; I280-L526 HydrophobicContact CD1-CD2 4.08Å; I280-Y603 VanDerWaalsContact CG2-OH 3.24Å; I280-Y603 WeakPolarHBondContact CG2-OH 3.45Å; I280-Y603 PolarHBondContact N-OH 3.39Å; I280-Y603 VanDerWaalsContact N-OH 3.17Å; I280-Y605 HydrophobicContact CD1-CD1 3.98Å; I280-Y605 HydrophobicContact CD1-CE1 3.83Å; I280-P606 HydrophobicContact CG2-CG 3.82Å; I280-W608 HydrophobicContact CG2-CH2 3.76Å; I280-W608 HydrophobicContact CG2-CZ2 3.63Å; I280-A609 HydrophobicContact CD1-CB 4.1Å; I280-A609 HydrophobicContact CG2-CB 3.95Å
281	G	92.2	Very high	94.1	Very high	38 Å²	38	56.5 Å²	56.5	39%	0.392	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.3	175.1	0	0	0	0	0	113.5	D279 F283	D279-G281 PolarHBondContact O-N 2.95Å; D279-G281 WeakPolarHBondContact OD2-CA 3.23Å; D279-G281 PolarHBondContact OD2-N 3.21Å; G281-F283 PolarHBondContact O-N 3.42Å
282	N	93.4	Very high	94.3	Very high	84 Å²	84	54.9 Å²	54.9	45%	0.449	31%	0.308	S	S	.	.			trans	-92.2	86.2	176.5	-174.8	10	0	0	0	110.5	S277 D279 I280 G284	S277-N282 WeakPolarHBondContact CB-O 3.36Å; S277-N282 PolarHBondContact OG-O 2.89Å; D279-N282 PolarHBondContact O-N 3.11Å; I280-N282 VanDerWaalsContact C-N 3.35Å; N282-G284 PolarHBondContact O-N 3.47Å; N282-G284 PolarHBondContact OD1-N 2.96Å
283	F	91.2	Very high	94.5	Very high	78 Å²	78	51.2 Å²	51.2	34%	0.342	30%	0.295	S	S	.	.			trans	-55.8	-32.4	177.7	-80.5	-92.9	0	0	0	113.7	G281 P514 S517 Q518 A519 W523	G281-F283 PolarHBondContact O-N 3.42Å; F283-P514 HydrophobicContact CD1-CB 4.46Å; F283-P514 HydrophobicContact CE1-CB 3.83Å; F283-S517 WeakPolarHBondContact CD1-OG 3.41Å; F283-S517 VanDerWaalsContact O-CB 3.3Å; F283-S517 WeakPolarHBondContact O-CB 3.33Å; F283-Q518 PolarHBondContact O-N 2.91Å; F283-Q518 VanDerWaalsContact O-N 3.09Å; F283-A519 PolarHBondContact O-N 2.99Å; F283-W523 AromaticContact CE1-CD1 3.77Å; F283-W523 HydrophobicContact CE1-CG 4.48Å; F283-W523 AromaticContact CE1-NE1 3.49Å; F283-W523 HydrophobicContact CE2-CZ2 4.04Å; F283-W523 AromaticContact CE2-NE1 3.76Å; F283-W523 AromaticContact CZ-CD1 3.94Å; F283-W523 HydrophobicContact CZ-CD2 4.31Å; F283-W523 AromaticContact CZ-CE2 3.45Å; F283-W523 VanDerWaalsContact CZ-CE2 3.45Å; F283-W523 AromaticContact CZ-CZ2 3.71Å; F283-W523 HydrophobicContact CZ-CZ2 3.71Å; F283-W523 AromaticContact CZ-NE1 3.2Å
284	G	92.9	Very high	94.6	Very high	42 Å²	42	51.1 Å²	51.1	43%	0.433	29%	0.294	S	S	.	.			trans	59.4	-147.6	-173.2	0	0	0	0	0	112.8	N282	N282-G284 PolarHBondContact O-N 3.47Å; N282-G284 PolarHBondContact OD1-N 2.96Å
285	E	94.9	Very high	94.8	Very high	126 Å²	126	51.8 Å²	51.8	59%	0.589	30%	0.303	S	S	*	.			trans	-81.7	149.2	177.9	-63.6	-177.2	163	0	0	112.9	R287 S517 Q518	E285-R287 PolarHBondContact O-N 3.49Å; E285-S517 WeakPolarHBondContact O-CA 3.45Å; E285-Q518 PolarHBondContact O-N 3.02Å
286	V	96.4	Very high	95.1	Very high	55 Å²	55	50.2 Å²	50.2	33%	0.333	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-74	124.8	166.8	177.8	0	0	0	0	109.4	L288 L291 I513	V286-L288 PolarHBondContact O-N 3.16Å; V286-L291 HydrophobicContact CG1-CB 4.09Å; V286-L291 HydrophobicContact CG1-CD2 4.01Å; V286-L291 HydrophobicContact CG1-CG 4.44Å; V286-I513 HydrophobicContact CG1-CG2 4.34Å; V286-I513 HydrophobicContact CG2-CG2 4.28Å
287	R	96.4	Very high	95.3	Very high	25 Å²	25	48.5 Å²	48.5	9%	0.094	29%	0.291	C	S	.	.			trans	-73.5	90.7	-179.8	-55.8	-61.9	-65.7	125.2	4.2	109.4	Y272 V273 L274 E285 P289 L290 L291 T516	Y272-R287 PolarHBondContact O-NH2 3.43Å; V273-R287 PolarHBondContact O-NE 3.4Å; V273-R287 PolarHBondContact O-NH2 3.04Å; L274-R287 WeakPolarHBondContact O-CD 3.29Å; L274-R287 PolarHBondContact O-NE 2.96Å; E285-R287 PolarHBondContact O-N 3.49Å; R287-P289 VanDerWaalsContact C-N 3.3Å; R287-P289 VanDerWaalsContact O-N 3.08Å; R287-L290 HydrophobicContact CB-CB 4.14Å; R287-L290 HydrophobicContact CB-CD1 3.91Å; R287-L290 HydrophobicContact CB-CG 4.02Å; R287-L290 HydrophobicContact CG-CD1 4.25Å; R287-L290 WeakPolarHBondContact O-CA 3.49Å; R287-L290 WeakPolarHBondContact O-CB 3.3Å; R287-L290 PolarHBondContact O-N 2.91Å; R287-L291 PolarHBondContact O-N 2.89Å; R287-T516 VanDerWaalsContact CB-O 3.28Å; R287-T516 WeakPolarHBondContact CB-O 3.34Å; R287-T516 WeakPolarHBondContact CG-O 3.29Å; R287-T516 PolarHBondContact N-O 3.19Å
288	L	96.1	Very high	95.5	Very high	127 Å²	127	48.8 Å²	48.8	67%	0.665	29%	0.292	S	S	*	.	H	α-helix	trans	-46.7	-39.1	-176.4	-61.3	179.7	0	0	0	115.4	V286 L290 L291 G292	V286-L288 PolarHBondContact O-N 3.16Å; L288-L290 PolarHBondContact O-N 2.97Å; L288-L291 HydrophobicContact CD2-CD2 4.24Å; L288-L291 PolarHBondContact O-N 3.28Å; L288-G292 PolarHBondContact O-N 2.83Å
289	P	96	Very high	95.9	Very high	64 Å²	64	46.1 Å²	46.1	42%	0.416	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-38.3	174.6	-23.5	35.7	0	0	0	113.6	Y205 R287 C293	Y205-P289 HydrophobicContact CD2-CB 3.92Å; Y205-P289 HydrophobicContact CE2-CB 3.63Å; R287-P289 VanDerWaalsContact C-N 3.3Å; R287-P289 VanDerWaalsContact O-N 3.08Å; P289-C293 PolarHBondContact O-N 3.21Å; P289-C293 VanDerWaalsContact O-N 3.08Å; P289-C293 PolarHBondContact O-SG 3.13Å
290	L	97.1	Very high	96.2	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-71.7	-39.4	174.3	-60.2	-177.9	0	0	0	110.8	C201 I202 Y205 V273 R287 L288 G292 C293 L294 T516	C201-L290 PolarHBondContact SG-O 2.79Å; I202-L290 HydrophobicContact CG1-CD2 4.45Å; Y205-L290 HydrophobicContact CD1-CD2 4.32Å; Y205-L290 HydrophobicContact CD2-CD2 3.94Å; Y205-L290 HydrophobicContact CG-CD2 3.72Å; V273-L290 HydrophobicContact CG1-CD1 4.42Å; V273-L290 HydrophobicContact CG1-CD2 4.15Å; R287-L290 HydrophobicContact CB-CB 4.14Å; R287-L290 HydrophobicContact CB-CD1 3.91Å; R287-L290 HydrophobicContact CB-CG 4.02Å; R287-L290 HydrophobicContact CG-CD1 4.25Å; R287-L290 WeakPolarHBondContact O-CA 3.49Å; R287-L290 WeakPolarHBondContact O-CB 3.3Å; R287-L290 PolarHBondContact O-N 2.91Å; L288-L290 PolarHBondContact O-N 2.97Å; L290-G292 VanDerWaalsContact C-N 3.29Å; L290-G292 PolarHBondContact O-N 2.82Å; L290-C293 CarbonylContact O-C 3.57Å; L290-C293 PolarHBondContact O-N 3.41Å; L290-C293 VanDerWaalsContact O-N 3.17Å; L290-L294 WeakPolarHBondContact O-CB 3.45Å; L290-L294 PolarHBondContact O-N 2.87Å; L290-T516 HydrophobicContact CB-CG2 4.26Å
291	L	97.7	Very high	96.3	Very high	40 Å²	40	45.5 Å²	45.5	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-41.6	173.9	-178	63.6	0	0	0	111.8	V286 R287 L288 L294 G295 F509 I513	V286-L291 HydrophobicContact CG1-CB 4.09Å; V286-L291 HydrophobicContact CG1-CD2 4.01Å; V286-L291 HydrophobicContact CG1-CG 4.44Å; R287-L291 PolarHBondContact O-N 2.89Å; L288-L291 HydrophobicContact CD2-CD2 4.24Å; L288-L291 PolarHBondContact O-N 3.28Å; L291-L294 PolarHBondContact O-N 2.86Å; L291-G295 PolarHBondContact O-N 3.38Å; L291-F509 HydrophobicContact CD1-CE2 4.1Å; L291-F509 HydrophobicContact CD1-CZ 3.89Å; L291-I513 HydrophobicContact CD1-CB 4.43Å; L291-I513 HydrophobicContact CD1-CD1 4.26Å; L291-I513 HydrophobicContact CD1-CG1 3.81Å; L291-I513 HydrophobicContact CD1-CG2 4.18Å
292	G	97.9	Very high	96.5	Very high	43 Å²	43	45.3 Å²	45.3	44%	0.443	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-46.4	172.8	0	0	0	0	0	112.6	L288 L290 L294 G295 V296	L288-G292 PolarHBondContact O-N 2.83Å; L290-G292 VanDerWaalsContact C-N 3.29Å; L290-G292 PolarHBondContact O-N 2.82Å; G292-L294 VanDerWaalsContact C-N 3.31Å; G292-L294 PolarHBondContact O-N 3.29Å; G292-G295 PolarHBondContact O-N 2.83Å; G292-V296 WeakPolarHBondContact O-CG2 3.46Å; G292-V296 PolarHBondContact O-N 3.37Å
293	C	98.3	Very high	96.7	Very high	12 Å²	12	45.9 Å²	45.9	8%	0.081	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-31.2	176.8	-64.3	0	0	0	0	112.9	C201 F204 P289 L290 V296 S297	C201-C293 HydrophobicContact CB-CB 4.36Å; C201-C293 WeakPolarHBondContact O-CB 3.39Å; F204-C293 HydrophobicContact CB-CB 4.1Å; P289-C293 PolarHBondContact O-N 3.21Å; P289-C293 VanDerWaalsContact O-N 3.08Å; P289-C293 PolarHBondContact O-SG 3.13Å; L290-C293 CarbonylContact O-C 3.57Å; L290-C293 PolarHBondContact O-N 3.41Å; L290-C293 VanDerWaalsContact O-N 3.17Å; C293-V296 PolarHBondContact O-N 3.27Å; C293-S297 WeakPolarHBondContact O-CB 3.4Å; C293-S297 PolarHBondContact O-N 3.36Å
294	L	98.3	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-41.2	171.8	-177.1	66.5	0	0	0	111.4	V198 C201 L290 L291 G292 S297 W298 F509 T516	V198-L294 HydrophobicContact CG2-CD1 4.09Å; C201-L294 HydrophobicContact CB-CB 4.13Å; C201-L294 HydrophobicContact CB-CD1 4.25Å; C201-L294 PolarHBondContact SG-N 3.21Å; C201-L294 VanDerWaalsContact SG-N 3.42Å; L290-L294 WeakPolarHBondContact O-CB 3.45Å; L290-L294 PolarHBondContact O-N 2.87Å; L291-L294 PolarHBondContact O-N 2.86Å; G292-L294 VanDerWaalsContact C-N 3.31Å; G292-L294 PolarHBondContact O-N 3.29Å; L294-S297 PolarHBondContact O-N 3.11Å; L294-W298 PolarHBondContact O-N 2.78Å; L294-F509 HydrophobicContact CB-CE2 4.49Å; L294-F509 HydrophobicContact CD2-CD2 4.18Å; L294-F509 HydrophobicContact CD2-CE2 4.33Å; L294-F509 HydrophobicContact CG-CD2 3.98Å; L294-F509 HydrophobicContact CG-CE2 4.26Å; L294-T516 HydrophobicContact CB-CG2 4.22Å; L294-T516 HydrophobicContact CD2-CG2 3.8Å
295	G	98.1	Very high	97	Very high	21 Å²	21	41 Å²	41	22%	0.216	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-49.3	171.8	0	0	0	0	0	111.9	L291 G292 S297 W298 V299	L291-G295 PolarHBondContact O-N 3.38Å; G292-G295 PolarHBondContact O-N 2.83Å; G295-S297 VanDerWaalsContact C-N 3.35Å; G295-S297 PolarHBondContact O-N 3.39Å; G295-W298 PolarHBondContact O-N 3.11Å; G295-V299 WeakPolarHBondContact O-CB 3.42Å; G295-V299 VanDerWaalsContact O-CG2 3.31Å; G295-V299 WeakPolarHBondContact O-CG2 3.47Å; G295-V299 PolarHBondContact O-N 3.31Å
296	V	98.3	Very high	96.9	Very high	57 Å²	57	37.9 Å²	37.9	35%	0.345	23%	0.225	S	C	.	.	H	α-helix	trans	-56.8	-46.8	174.6	172.2	0	0	0	0	111.2	F204 G292 C293 W298 V299 V300	F204-V296 HydrophobicContact CD1-CG1 4.23Å; F204-V296 HydrophobicContact CE1-CG1 4.13Å; F204-V296 HydrophobicContact CZ-CG1 4.32Å; G292-V296 WeakPolarHBondContact O-CG2 3.46Å; G292-V296 PolarHBondContact O-N 3.37Å; C293-V296 PolarHBondContact O-N 3.27Å; V296-W298 PolarHBondContact O-N 3.44Å; V296-V299 PolarHBondContact O-N 2.93Å; V296-V300 HydrophobicContact CG1-CG2 4.43Å; V296-V300 WeakPolarHBondContact O-CG2 3.29Å; V296-V300 PolarHBondContact O-N 3.4Å
297	S	97.4	Very high	96.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-47.6	-179.1	-157.4	0	0	0	0	112.2	N197 I200 C293 L294 G295 V299 V300 V301	N197-S297 PolarHBondContact OD1-OG 3.29Å; I200-S297 WeakPolarHBondContact CG2-OG 3.45Å; C293-S297 WeakPolarHBondContact O-CB 3.4Å; C293-S297 PolarHBondContact O-N 3.36Å; L294-S297 PolarHBondContact O-N 3.11Å; G295-S297 VanDerWaalsContact C-N 3.35Å; G295-S297 PolarHBondContact O-N 3.39Å; S297-V299 PolarHBondContact O-N 3.47Å; S297-V300 PolarHBondContact O-N 3.1Å; S297-V301 VanDerWaalsContact O-CG2 3.26Å; S297-V301 WeakPolarHBondContact O-CG2 3.26Å; S297-V301 PolarHBondContact O-N 2.83Å
298	W	97.9	Very high	96.3	Very high	14 Å²	14	43.9 Å²	43.9	5%	0.053	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-34.8	176.6	-81.8	110.8	0	0	0	113.5	N197 L294 G295 V296 V301 F302 L477 A505 G508 F509	N197-W298 HydrophobicContact CB-CZ2 4.04Å; N197-W298 PolarHBondContact ND2-NE1 2.91Å; L294-W298 PolarHBondContact O-N 2.78Å; G295-W298 PolarHBondContact O-N 3.11Å; V296-W298 PolarHBondContact O-N 3.44Å; W298-V301 HydrophobicContact CE3-CG1 4.36Å; W298-V301 HydrophobicContact CZ3-CG1 4.35Å; W298-F302 WeakPolarHBondContact O-CB 3.42Å; W298-F302 PolarHBondContact O-N 2.99Å; W298-L477 HydrophobicContact CZ3-CD1 4.27Å; W298-L477 HydrophobicContact CZ3-CD2 4.24Å; W298-A505 HydrophobicContact CE3-CB 3.86Å; W298-A505 HydrophobicContact CZ3-CB 4.32Å; W298-G508 VanDerWaalsContact CZ2-C 3.42Å; W298-G508 VanDerWaalsContact CZ2-CA 3.45Å; W298-G508 VanDerWaalsContact NE1-C 3.31Å; W298-G508 PolarHBondContact NE1-O 3.33Å; W298-F509 HydrophobicContact CB-CB 4.34Å; W298-F509 VanDerWaalsContact CD1-CA 3.42Å; W298-F509 HydrophobicContact CG-CB 3.95Å
299	V	97.9	Very high	96	Very high	83 Å²	83	38.1 Å²	38.1	50%	0.503	21%	0.212	S	C	.	.	H	α-helix	trans	-63.6	-45.8	172.9	168.1	0	0	0	0	111	G295 V296 S297 F302 L303	G295-V299 WeakPolarHBondContact O-CB 3.42Å; G295-V299 VanDerWaalsContact O-CG2 3.31Å; G295-V299 WeakPolarHBondContact O-CG2 3.47Å; G295-V299 PolarHBondContact O-N 3.31Å; V296-V299 PolarHBondContact O-N 2.93Å; S297-V299 PolarHBondContact O-N 3.47Å; V299-F302 PolarHBondContact O-N 3.23Å; V299-L303 HydrophobicContact CG1-CD1 3.84Å; V299-L303 HydrophobicContact CG1-CG 4.34Å; V299-L303 WeakPolarHBondContact O-CB 3.39Å; V299-L303 VanDerWaalsContact O-CG 3.27Å; V299-L303 WeakPolarHBondContact O-CG 3.38Å; V299-L303 PolarHBondContact O-N 3.44Å
300	V	97.4	Very high	95.7	Very high	41 Å²	41	38.8 Å²	38.8	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-48.2	176.6	172.1	0	0	0	0	110.8	F204 V296 S297 F302 L303 C304 L470	F204-V300 HydrophobicContact CZ-CG2 4.21Å; V296-V300 HydrophobicContact CG1-CG2 4.43Å; V296-V300 WeakPolarHBondContact O-CG2 3.29Å; V296-V300 PolarHBondContact O-N 3.4Å; S297-V300 PolarHBondContact O-N 3.1Å; V300-F302 VanDerWaalsContact C-N 3.34Å; V300-F302 PolarHBondContact O-N 3.45Å; V300-L303 PolarHBondContact O-N 3.38Å; V300-C304 WeakPolarHBondContact O-CB 3.43Å; V300-C304 PolarHBondContact O-N 2.62Å; V300-C304 PolarHBondContact O-SG 3.25Å; V300-L470 HydrophobicContact CG1-CD1 3.77Å; V300-L470 HydrophobicContact CG1-CD2 3.93Å
301	V	97	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.5	-45.4	177	171.9	0	0	0	0	111.7	S297 W298 L305 L470 Q473 L477	S297-V301 VanDerWaalsContact O-CG2 3.26Å; S297-V301 WeakPolarHBondContact O-CG2 3.26Å; S297-V301 PolarHBondContact O-N 2.83Å; W298-V301 HydrophobicContact CE3-CG1 4.36Å; W298-V301 HydrophobicContact CZ3-CG1 4.35Å; V301-L305 HydrophobicContact CG1-CD1 4.34Å; V301-L305 PolarHBondContact O-N 3.04Å; V301-L470 HydrophobicContact CG2-CD2 3.57Å; V301-Q473 HydrophobicContact CG1-CG 4.1Å; V301-Q473 HydrophobicContact CG2-CB 4.41Å; V301-Q473 HydrophobicContact CG2-CG 3.65Å; V301-L477 HydrophobicContact CG1-CB 4.42Å; V301-L477 HydrophobicContact CG1-CD2 3.57Å
302	F	97.2	Very high	95.2	Very high	34 Å²	34	37.8 Å²	37.8	15%	0.149	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-48	176.6	169.2	-104.9	0	0	0	112.2	W298 V299 V300 C304 L305 I306 T498 T501 L502 A505	W298-F302 WeakPolarHBondContact O-CB 3.42Å; W298-F302 PolarHBondContact O-N 2.99Å; V299-F302 PolarHBondContact O-N 3.23Å; V300-F302 VanDerWaalsContact C-N 3.34Å; V300-F302 PolarHBondContact O-N 3.45Å; F302-C304 VanDerWaalsContact C-N 3.33Å; F302-C304 PolarHBondContact O-N 3.21Å; F302-L305 CarbonylContact O-C 3.59Å; F302-L305 PolarHBondContact O-N 2.94Å; F302-L305 VanDerWaalsContact O-N 3.12Å; F302-I306 HydrophobicContact CE1-CD1 4.11Å; F302-I306 HydrophobicContact CE1-CG1 4.31Å; F302-I306 HydrophobicContact CE2-CG1 4.46Å; F302-I306 HydrophobicContact CZ-CD1 4.11Å; F302-I306 HydrophobicContact CZ-CG1 3.93Å; F302-I306 PolarHBondContact O-N 2.83Å; F302-T498 HydrophobicContact CE2-CG2 4.31Å; F302-T498 HydrophobicContact CZ-CG2 4.24Å; F302-T501 HydrophobicContact CD2-CG2 4.16Å; F302-L502 HydrophobicContact CD1-CD1 4.38Å; F302-L502 HydrophobicContact CD2-CB 4.14Å; F302-L502 HydrophobicContact CD2-CD1 4.09Å; F302-L502 HydrophobicContact CE1-CD1 4.23Å; F302-L502 HydrophobicContact CE2-CB 3.59Å; F302-L502 HydrophobicContact CE2-CD1 3.96Å; F302-L502 HydrophobicContact CE2-CG 4.33Å; F302-L502 HydrophobicContact CG-CD1 4.31Å; F302-L502 HydrophobicContact CZ-CB 4.14Å; F302-L502 HydrophobicContact CZ-CD1 4.03Å; F302-A505 HydrophobicContact CB-CB 4.24Å
303	L	96.4	Very high	94.9	Very high	95 Å²	95	35.8 Å²	35.8	50%	0.497	19%	0.185	S	C	.	.	H	α-helix	trans	-61.8	-40.9	-179.7	-71.6	173.5	0	0	0	111.7	V299 V300 L305 I306	V299-L303 HydrophobicContact CG1-CD1 3.84Å; V299-L303 HydrophobicContact CG1-CG 4.34Å; V299-L303 WeakPolarHBondContact O-CB 3.39Å; V299-L303 VanDerWaalsContact O-CG 3.27Å; V299-L303 WeakPolarHBondContact O-CG 3.38Å; V299-L303 PolarHBondContact O-N 3.44Å; V300-L303 PolarHBondContact O-N 3.38Å; L303-L305 VanDerWaalsContact C-N 3.27Å; L303-L305 PolarHBondContact O-N 2.69Å; L303-I306 VanDerWaalsContact O-CG2 3.26Å; L303-I306 WeakPolarHBondContact O-CG2 3.26Å; L303-I306 PolarHBondContact O-N 3.27Å
304	C	95.6	Very high	94.7	Very high	18 Å²	18	40.9 Å²	40.9	12%	0.122	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-29.1	176.2	-65.7	0	0	0	0	113	V300 F302 S311 S312 V315 F474	V300-C304 WeakPolarHBondContact O-CB 3.43Å; V300-C304 PolarHBondContact O-N 2.62Å; V300-C304 PolarHBondContact O-SG 3.25Å; F302-C304 VanDerWaalsContact C-N 3.33Å; F302-C304 PolarHBondContact O-N 3.21Å; C304-S311 CarbonylContact O-C 3.28Å; C304-S311 VanDerWaalsContact O-CB 3.24Å; C304-S311 WeakPolarHBondContact O-CB 3.19Å; C304-S311 PolarHBondContact O-OG 3.31Å; C304-S312 PolarHBondContact O-N 3.09Å; C304-S312 VanDerWaalsContact O-N 3.16Å; C304-V315 HydrophobicContact CB-CG1 4.34Å; C304-V315 HydrophobicContact CB-CG2 4.29Å; C304-F474 HydrophobicContact CB-CD1 4.08Å; C304-F474 HydrophobicContact CB-CE1 3.34Å; C304-F474 HydrophobicContact CB-CE2 4.2Å; C304-F474 HydrophobicContact CB-CZ 3.41Å; C304-F474 VanDerWaalsContact CB-CZ 3.41Å; C304-F474 VanDerWaalsContact SG-CZ 3.55Å
305	L	94.5	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	11.5	-180	-76	169.8	0	0	0	114.8	V301 F302 L303 R307 G308 F474 L477 E478 T501	V301-L305 HydrophobicContact CG1-CD1 4.34Å; V301-L305 PolarHBondContact O-N 3.04Å; F302-L305 CarbonylContact O-C 3.59Å; F302-L305 PolarHBondContact O-N 2.94Å; F302-L305 VanDerWaalsContact O-N 3.12Å; L303-L305 VanDerWaalsContact C-N 3.27Å; L303-L305 PolarHBondContact O-N 2.69Å; L305-R307 PolarHBondContact O-N 2.89Å; L305-G308 PolarHBondContact O-N 3.36Å; L305-F474 HydrophobicContact CD1-CB 4.34Å; L305-F474 HydrophobicContact CD1-CD1 4.43Å; L305-F474 HydrophobicContact CD2-CB 4.46Å; L305-F474 HydrophobicContact CG-CB 4.46Å; L305-F474 HydrophobicContact CG-CD1 4.44Å; L305-L477 HydrophobicContact CD1-CB 3.77Å; L305-L477 HydrophobicContact CD1-CD2 3.74Å; L305-L477 HydrophobicContact CD1-CG 3.98Å; L305-E478 HydrophobicContact CD2-CB 4.14Å; L305-T501 HydrophobicContact CB-CG2 4.04Å
306	I	93.6	Very high	94.4	Very high	60 Å²	60	42 Å²	42	31%	0.308	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.1	-173.1	-162.9	173	0	0	0	113.8	F302 L303 T498	F302-I306 HydrophobicContact CE1-CD1 4.11Å; F302-I306 HydrophobicContact CE1-CG1 4.31Å; F302-I306 HydrophobicContact CE2-CG1 4.46Å; F302-I306 HydrophobicContact CZ-CD1 4.11Å; F302-I306 HydrophobicContact CZ-CG1 3.93Å; F302-I306 PolarHBondContact O-N 2.83Å; L303-I306 VanDerWaalsContact O-CG2 3.26Å; L303-I306 WeakPolarHBondContact O-CG2 3.26Å; L303-I306 PolarHBondContact O-N 3.27Å; I306-T498 HydrophobicContact CG1-CG2 3.6Å; I306-T498 WeakPolarHBondContact O-CG2 3.27Å; I306-T498 PolarHBondContact O-OG1 2.78Å
307	R	90.4	Very high	94.2	Very high	203 Å²	203	43.4 Å²	43.4	77%	0.766	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.3	27.5	170.3	-55.8	178.3	178.8	172.5	-1	113	L305 K310	L305-R307 PolarHBondContact O-N 2.89Å; R307-K310 PolarHBondContact O-N 3.41Å
308	G	90.1	Very high	94.2	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.031	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-143.3	-175.9	0	0	0	0	0	113	L305 K310 S311 S312 E478	L305-G308 PolarHBondContact O-N 3.36Å; G308-K310 PolarHBondContact O-N 2.93Å; G308-S311 PolarHBondContact O-N 3.45Å; G308-S312 PolarHBondContact O-N 2.95Å; G308-S312 VanDerWaalsContact O-N 3.12Å; G308-S312 PolarHBondContact O-OG 3.41Å; G308-E478 WeakPolarHBondContact CA-OE1 3.31Å
309	V	88.9	Confident	94	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.036	23%	0.228	C	C	.	.	H	α-helix	trans	-49.4	-30.5	179.1	-64.1	0	0	0	0	115.9	W103 S311 S312 G313 Y385 E478	W103-V309 HydrophobicContact CD2-CB 4.47Å; W103-V309 HydrophobicContact CE3-CB 4.04Å; W103-V309 HydrophobicContact CH2-CB 3.72Å; W103-V309 HydrophobicContact CH2-CG1 3.53Å; W103-V309 HydrophobicContact CZ2-CB 4.2Å; W103-V309 HydrophobicContact CZ2-CG1 3.77Å; W103-V309 HydrophobicContact CZ3-CB 3.65Å; W103-V309 HydrophobicContact CZ3-CG1 4.02Å; V309-S311 VanDerWaalsContact C-N 3.27Å; V309-S311 PolarHBondContact O-N 3.06Å; V309-S312 WeakPolarHBondContact CA-OG 3.43Å; V309-G313 WeakPolarHBondContact O-CA 3.34Å; V309-G313 PolarHBondContact O-N 3.22Å; V309-Y385 HydrophobicContact CG1-CD1 4.49Å; V309-Y385 HydrophobicContact CG1-CD2 3.56Å; V309-Y385 HydrophobicContact CG1-CE2 3.68Å; V309-Y385 HydrophobicContact CG1-CG 4Å; V309-Y385 HydrophobicContact CG2-CD1 3.87Å; V309-Y385 HydrophobicContact CG2-CD2 4.4Å; V309-Y385 HydrophobicContact CG2-CE1 4.15Å; V309-Y385 HydrophobicContact CG2-CG 4.01Å; V309-E478 HydrophobicContact CG1-CG 4.27Å; V309-E478 PolarHBondContact N-OE1 3.4Å
310	K	89	Confident	93.8	Very high	78 Å²	78	44.2 Å²	44.2	34%	0.339	21%	0.207	S	C	.	.	H	α-helix	trans	-69.6	-24.3	177.4	-62.9	-69	-164.5	-178.7	0	112.8	D95 N102 R307 G308	D95-K310 IonicContact OD1-NZ 2.62Å; D95-K310 PolarHBondContact OD1-NZ 3.28Å; D95-K310 VanDerWaalsContact OD2-CE 3.28Å; D95-K310 WeakPolarHBondContact OD2-CE 3.38Å; D95-K310 IonicContact OD2-NZ 3.58Å; D95-K310 PolarHBondContact OD2-NZ 2.95Å; N102-K310 WeakPolarHBondContact O-CE 3.43Å; N102-K310 PolarHBondContact O-NZ 3.17Å; R307-K310 PolarHBondContact O-N 3.41Å; G308-K310 PolarHBondContact O-N 2.93Å
311	S	93	Very high	93.7	Very high	23 Å²	23	45.1 Å²	45.1	16%	0.161	21%	0.213	C	C	.	.	H	α-helix	trans	-92.9	-52.3	176.8	178.6	0	0	0	0	111	C304 G308 V309 G313 K314 V315	C304-S311 CarbonylContact O-C 3.28Å; C304-S311 VanDerWaalsContact O-CB 3.24Å; C304-S311 WeakPolarHBondContact O-CB 3.19Å; C304-S311 PolarHBondContact O-OG 3.31Å; G308-S311 PolarHBondContact O-N 3.45Å; V309-S311 VanDerWaalsContact C-N 3.27Å; V309-S311 PolarHBondContact O-N 3.06Å; S311-G313 VanDerWaalsContact C-N 3.29Å; S311-G313 PolarHBondContact O-N 3.3Å; S311-K314 PolarHBondContact O-N 3.22Å; S311-V315 PolarHBondContact O-N 2.94Å
312	S	92.8	Very high	93.7	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-39.4	179.8	56.1	0	0	0	0	111.5	C304 G308 V309 K314 V315 V316	C304-S312 PolarHBondContact O-N 3.09Å; C304-S312 VanDerWaalsContact O-N 3.16Å; G308-S312 PolarHBondContact O-N 2.95Å; G308-S312 VanDerWaalsContact O-N 3.12Å; G308-S312 PolarHBondContact O-OG 3.41Å; V309-S312 WeakPolarHBondContact CA-OG 3.43Å; S312-K314 PolarHBondContact O-N 3.24Å; S312-V315 PolarHBondContact O-N 3Å; S312-V316 WeakPolarHBondContact O-CG1 3.34Å; S312-V316 PolarHBondContact O-N 3.43Å
313	G	91.1	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-20.1	174.2	0	0	0	0	0	115.1	E108 V309 S311 V316 Y317	E108-G313 WeakPolarHBondContact CG-O 3.25Å; V309-G313 WeakPolarHBondContact O-CA 3.34Å; V309-G313 PolarHBondContact O-N 3.22Å; S311-G313 VanDerWaalsContact C-N 3.29Å; S311-G313 PolarHBondContact O-N 3.3Å; G313-V316 WeakPolarHBondContact O-CG2 3.45Å; G313-Y317 WeakPolarHBondContact O-CD2 3.48Å; G313-Y317 VanDerWaalsContact O-CE2 3.32Å; G313-Y317 WeakPolarHBondContact O-CE2 3.29Å
314	K	93.9	Very high	93.6	Very high	120 Å²	120	44.4 Å²	44.4	52%	0.522	21%	0.205	S	C	.	.	H	α-helix	trans	-90.4	-39.2	170.4	-60.3	-55.1	-173.8	-172.3	0	112.4	E108 S311 S312 V316	E108-K314 WeakPolarHBondContact OE1-CE 3.45Å; E108-K314 IonicContact OE1-NZ 3.79Å; E108-K314 PolarHBondContact OE1-NZ 3.38Å; S311-K314 PolarHBondContact O-N 3.22Å; S312-K314 PolarHBondContact O-N 3.24Å; K314-V316 VanDerWaalsContact C-N 3.34Å; K314-V316 PolarHBondContact O-N 3.22Å
315	V	95	Very high	93.6	Very high	42 Å²	42	47.1 Å²	47.1	26%	0.255	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-38.3	178	173.1	0	0	0	0	111.7	C304 S311 S312 Y317 F318 T319 F474	C304-V315 HydrophobicContact CB-CG1 4.34Å; C304-V315 HydrophobicContact CB-CG2 4.29Å; S311-V315 PolarHBondContact O-N 2.94Å; S312-V315 PolarHBondContact O-N 3Å; V315-Y317 PolarHBondContact O-N 3.32Å; V315-F318 PolarHBondContact O-N 2.91Å; V315-T319 HydrophobicContact CG1-CG2 3.48Å; V315-T319 VanDerWaalsContact CG1-CG2 3.48Å; V315-T319 PolarHBondContact O-N 2.7Å; V315-T319 VanDerWaalsContact O-N 3.12Å; V315-F474 HydrophobicContact CG1-CE2 3.8Å; V315-F474 HydrophobicContact CG1-CZ 4Å
316	V	94.8	Very high	93.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-21.8	-177	-65.2	0	0	0	0	114.6	L111 T112 S312 G313 K314 F318 T319 A320 F474	L111-V316 HydrophobicContact CB-CB 4.42Å; L111-V316 HydrophobicContact CB-CG2 4Å; T112-V316 HydrophobicContact CG2-CG1 4.43Å; S312-V316 WeakPolarHBondContact O-CG1 3.34Å; S312-V316 PolarHBondContact O-N 3.43Å; G313-V316 WeakPolarHBondContact O-CG2 3.45Å; K314-V316 VanDerWaalsContact C-N 3.34Å; K314-V316 PolarHBondContact O-N 3.22Å; V316-F318 PolarHBondContact O-N 2.61Å; V316-T319 WeakPolarHBondContact CA-OG1 3.16Å; V316-T319 PolarHBondContact O-N 2.98Å; V316-A320 HydrophobicContact CB-CB 4.45Å; V316-A320 WeakPolarHBondContact O-CB 3.25Å; V316-A320 PolarHBondContact O-N 2.84Å; V316-F474 HydrophobicContact CG1-CD2 4.45Å
317	Y	95.3	Very high	93.7	Very high	88 Å²	88	44.4 Å²	44.4	35%	0.345	21%	0.206	S	C	.	.	H	α-helix	trans	-57.2	-31.5	172.2	-77.1	-81	0	0	0	112.1	I107 E108 L111 G313 V315 T321	I107-Y317 HydrophobicContact CG2-CE1 3.77Å; E108-Y317 HydrophobicContact CG-CE2 3.74Å; E108-Y317 WeakPolarHBondContact CG-OH 3.42Å; L111-Y317 HydrophobicContact CD1-CD1 3.71Å; L111-Y317 HydrophobicContact CD1-CE1 3.98Å; L111-Y317 HydrophobicContact CD1-CG 4.29Å; G313-Y317 WeakPolarHBondContact O-CD2 3.48Å; G313-Y317 VanDerWaalsContact O-CE2 3.32Å; G313-Y317 WeakPolarHBondContact O-CE2 3.29Å; V315-Y317 PolarHBondContact O-N 3.32Å; Y317-T321 WeakPolarHBondContact O-CB 3.23Å; Y317-T321 WeakPolarHBondContact O-CG2 3.5Å; Y317-T321 PolarHBondContact O-OG1 2.85Å
318	F	96.1	Very high	94	Very high	98 Å²	98	37.7 Å²	37.7	43%	0.43	19%	0.188	S	C	.	.	H	α-helix	trans	-92.4	-52.8	172.8	-177.4	-102.1	0	0	0	111.6	V315 V316 A320 T321 F322 F463 L467	V315-F318 PolarHBondContact O-N 2.91Å; V316-F318 PolarHBondContact O-N 2.61Å; F318-A320 VanDerWaalsContact C-N 3.3Å; F318-A320 PolarHBondContact O-N 3.38Å; F318-T321 PolarHBondContact O-N 2.72Å; F318-F322 HydrophobicContact CD2-CB 4.21Å; F318-F322 HydrophobicContact CD2-CD2 4.4Å; F318-F322 HydrophobicContact CE1-CB 4.39Å; F318-F322 HydrophobicContact CE1-CG 4.47Å; F318-F322 HydrophobicContact CE2-CB 3.9Å; F318-F322 AromaticContact CE2-CD2 3.48Å; F318-F322 HydrophobicContact CE2-CD2 3.48Å; F318-F322 VanDerWaalsContact CE2-CD2 3.48Å; F318-F322 HydrophobicContact CE2-CE2 4.2Å; F318-F322 AromaticContact CE2-CG 3.8Å; F318-F322 HydrophobicContact CE2-CG 3.8Å; F318-F322 HydrophobicContact CZ-CB 4Å; F318-F322 HydrophobicContact CZ-CD1 4.29Å; F318-F322 AromaticContact CZ-CD2 3.76Å; F318-F322 HydrophobicContact CZ-CD2 3.76Å; F318-F322 HydrophobicContact CZ-CE2 4.3Å; F318-F322 AromaticContact CZ-CG 3.74Å; F318-F322 HydrophobicContact CZ-CG 3.74Å; F318-F322 WeakPolarHBondContact O-CB 3.28Å; F318-F322 PolarHBondContact O-N 3.45Å; F318-F463 HydrophobicContact CE1-CE1 4.05Å; F318-F463 AromaticContact CE1-CZ 3.8Å; F318-F463 HydrophobicContact CE1-CZ 3.8Å; F318-F463 AromaticContact CZ-CE1 3.88Å; F318-F463 HydrophobicContact CZ-CE1 3.88Å; F318-F463 AromaticContact CZ-CZ 3.99Å; F318-F463 HydrophobicContact CZ-CZ 3.99Å; F318-L467 HydrophobicContact CD1-CD1 4.34Å; F318-L467 HydrophobicContact CD1-CD2 4.26Å; F318-L467 HydrophobicContact CE1-CD1 3.76Å; F318-L467 HydrophobicContact CE1-CD2 4.01Å; F318-L467 HydrophobicContact CZ-CD1 4.33Å
319	T	94.9	Very high	94.2	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-68.1	-27.9	-169.6	70.8	0	0	0	0	113.4	V315 V316 P323 L467 F474	V315-T319 HydrophobicContact CG1-CG2 3.48Å; V315-T319 VanDerWaalsContact CG1-CG2 3.48Å; V315-T319 PolarHBondContact O-N 2.7Å; V315-T319 VanDerWaalsContact O-N 3.12Å; V316-T319 WeakPolarHBondContact CA-OG1 3.16Å; V316-T319 PolarHBondContact O-N 2.98Å; T319-P323 WeakPolarHBondContact O-CD 3.5Å; T319-P323 VanDerWaalsContact O-CG 3.31Å; T319-P323 WeakPolarHBondContact O-CG 3.3Å; T319-L467 HydrophobicContact CG2-CD2 3.91Å; T319-F474 HydrophobicContact CG2-CE2 4.39Å
320	A	93.9	Very high	94.4	Very high	8 Å²	8	40.9 Å²	40.9	7%	0.066	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-24.1	175.7	0	0	0	0	0	113.3	L111 V316 F318 Y324	L111-A320 HydrophobicContact CB-CB 4.45Å; V316-A320 HydrophobicContact CB-CB 4.45Å; V316-A320 WeakPolarHBondContact O-CB 3.25Å; V316-A320 PolarHBondContact O-N 2.84Å; F318-A320 VanDerWaalsContact C-N 3.3Å; F318-A320 PolarHBondContact O-N 3.38Å; A320-Y324 VanDerWaalsContact O-CD2 3.24Å; A320-Y324 WeakPolarHBondContact O-CD2 3.47Å; A320-Y324 WeakPolarHBondContact O-CE2 3.43Å
321	T	95.1	Very high	94.7	Very high	60 Å²	60	40.1 Å²	40.1	37%	0.368	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-39.1	-175.1	67.7	0	0	0	0	113.4	L111 Y317 F318 P323 Y324	L111-T321 HydrophobicContact CD2-CG2 4.36Å; Y317-T321 WeakPolarHBondContact O-CB 3.23Å; Y317-T321 WeakPolarHBondContact O-CG2 3.5Å; Y317-T321 PolarHBondContact O-OG1 2.85Å; F318-T321 PolarHBondContact O-N 2.72Å; T321-P323 VanDerWaalsContact C-CD 3.46Å; T321-Y324 WeakPolarHBondContact O-CB 3.46Å; T321-Y324 PolarHBondContact O-N 2.84Å
322	F	96	Very high	94.9	Very high	51 Å²	51	42.9 Å²	42.9	22%	0.224	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-34.5	-177.5	-168.5	-89.8	0	0	0	114	F318 Y324 V325 V326 F463 L467	F318-F322 HydrophobicContact CD2-CB 4.21Å; F318-F322 HydrophobicContact CD2-CD2 4.4Å; F318-F322 HydrophobicContact CE1-CB 4.39Å; F318-F322 HydrophobicContact CE1-CG 4.47Å; F318-F322 HydrophobicContact CE2-CB 3.9Å; F318-F322 AromaticContact CE2-CD2 3.48Å; F318-F322 HydrophobicContact CE2-CD2 3.48Å; F318-F322 VanDerWaalsContact CE2-CD2 3.48Å; F318-F322 HydrophobicContact CE2-CE2 4.2Å; F318-F322 AromaticContact CE2-CG 3.8Å; F318-F322 HydrophobicContact CE2-CG 3.8Å; F318-F322 HydrophobicContact CZ-CB 4Å; F318-F322 HydrophobicContact CZ-CD1 4.29Å; F318-F322 AromaticContact CZ-CD2 3.76Å; F318-F322 HydrophobicContact CZ-CD2 3.76Å; F318-F322 HydrophobicContact CZ-CE2 4.3Å; F318-F322 AromaticContact CZ-CG 3.74Å; F318-F322 HydrophobicContact CZ-CG 3.74Å; F318-F322 WeakPolarHBondContact O-CB 3.28Å; F318-F322 PolarHBondContact O-N 3.45Å; F322-Y324 PolarHBondContact O-N 2.84Å; F322-V325 WeakPolarHBondContact O-CB 3.04Å; F322-V325 PolarHBondContact O-N 3.45Å; F322-V326 HydrophobicContact CD1-CG2 3.76Å; F322-V326 HydrophobicContact CE1-CG2 3.32Å; F322-V326 HydrophobicContact CZ-CG2 4.09Å; F322-V326 PolarHBondContact O-N 3.11Å; F322-V326 VanDerWaalsContact O-N 3.09Å; F322-F463 HydrophobicContact CD1-CD1 4.06Å; F322-F463 AromaticContact CD1-CE1 3.93Å; F322-F463 HydrophobicContact CD1-CE1 3.93Å; F322-F463 AromaticContact CE1-CD1 3.58Å; F322-F463 HydrophobicContact CE1-CD1 3.58Å; F322-F463 AromaticContact CE1-CE1 3.67Å; F322-F463 HydrophobicContact CE1-CE1 3.67Å; F322-F463 HydrophobicContact CZ-CD1 4.36Å; F322-F463 HydrophobicContact CZ-CE1 4.23Å; F322-L467 HydrophobicContact CB-CD1 3.83Å; F322-L467 HydrophobicContact CD1-CD1 3.6Å; F322-L467 HydrophobicContact CG-CD1 4.04Å
323	P	95.6	Very high	94.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.013	23%	0.226	C	C	.	.	H	α-helix	trans	-54.8	-36	171.9	-30.4	38.5	0	0	0	114.2	T319 T321 V325 V326 L327 M464 L467 L468	T319-P323 WeakPolarHBondContact O-CD 3.5Å; T319-P323 VanDerWaalsContact O-CG 3.31Å; T319-P323 WeakPolarHBondContact O-CG 3.3Å; T321-P323 VanDerWaalsContact C-CD 3.46Å; P323-V325 VanDerWaalsContact C-N 3.34Å; P323-V325 PolarHBondContact O-N 2.82Å; P323-V326 PolarHBondContact O-N 3.16Å; P323-L327 WeakPolarHBondContact O-CB 3.13Å; P323-L327 VanDerWaalsContact O-CG 3.31Å; P323-L327 WeakPolarHBondContact O-CG 3.4Å; P323-L327 PolarHBondContact O-N 2.81Å; P323-M464 HydrophobicContact CB-CG 3.95Å; P323-L467 HydrophobicContact CG-CB 3.93Å; P323-L468 HydrophobicContact CB-CD1 4.42Å; P323-L468 HydrophobicContact CB-CD2 3.61Å; P323-L468 HydrophobicContact CB-CG 3.85Å; P323-L468 HydrophobicContact CG-CD2 3.8Å; P323-L468 HydrophobicContact CG-CG 3.93Å
324	Y	95.8	Very high	95	Very high	61 Å²	61	45.7 Å²	45.7	24%	0.239	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-33.5	176.1	-64.5	-85.9	0	0	0	112.5	A320 T321 F322 T328 T406	A320-Y324 VanDerWaalsContact O-CD2 3.24Å; A320-Y324 WeakPolarHBondContact O-CD2 3.47Å; A320-Y324 WeakPolarHBondContact O-CE2 3.43Å; T321-Y324 WeakPolarHBondContact O-CB 3.46Å; T321-Y324 PolarHBondContact O-N 2.84Å; F322-Y324 PolarHBondContact O-N 2.84Å; Y324-T328 WeakPolarHBondContact O-CB 3.19Å; Y324-T328 PolarHBondContact O-N 3.43Å; Y324-T328 PolarHBondContact O-OG1 3.24Å; Y324-T406 HydrophobicContact CE1-CG2 3.66Å; Y324-T406 VanDerWaalsContact CE1-OG1 3.27Å; Y324-T406 WeakPolarHBondContact CE1-OG1 3.27Å; Y324-T406 PolarHBondContact OH-OG1 3.38Å
325	V	96.6	Very high	95.1	Very high	75 Å²	75	43 Å²	43	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-63.6	-47.4	173.5	-177	0	0	0	0	109.8	F322 P323 T328 I329	F322-V325 WeakPolarHBondContact O-CB 3.04Å; F322-V325 PolarHBondContact O-N 3.45Å; P323-V325 VanDerWaalsContact C-N 3.34Å; P323-V325 PolarHBondContact O-N 2.82Å; V325-T328 PolarHBondContact O-N 2.77Å; V325-I329 HydrophobicContact CG1-CD1 3.94Å; V325-I329 WeakPolarHBondContact O-CG1 3.24Å; V325-I329 PolarHBondContact O-N 3.5Å
326	V	95.4	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-46.5	177.8	179.2	0	0	0	0	111.8	F322 P323 T328 I329 L330 L460 M464	F322-V326 HydrophobicContact CD1-CG2 3.76Å; F322-V326 HydrophobicContact CE1-CG2 3.32Å; F322-V326 HydrophobicContact CZ-CG2 4.09Å; F322-V326 PolarHBondContact O-N 3.11Å; F322-V326 VanDerWaalsContact O-N 3.09Å; P323-V326 PolarHBondContact O-N 3.16Å; V326-T328 PolarHBondContact O-N 2.78Å; V326-I329 PolarHBondContact O-N 3.47Å; V326-L330 HydrophobicContact CG1-CD1 3.79Å; V326-L330 HydrophobicContact CG1-CG 4.17Å; V326-L330 WeakPolarHBondContact O-CB 3.4Å; V326-L330 WeakPolarHBondContact O-CG 2.97Å; V326-L330 PolarHBondContact O-N 2.92Å; V326-L460 HydrophobicContact CG1-CB 4.12Å; V326-L460 HydrophobicContact CG2-CD2 4.48Å; V326-M464 HydrophobicContact CB-CB 3.99Å; V326-M464 HydrophobicContact CB-CG 4.23Å; V326-M464 HydrophobicContact CB-SD 4.06Å; V326-M464 HydrophobicContact CG1-CB 3.83Å; V326-M464 HydrophobicContact CG1-CG 4.28Å; V326-M464 HydrophobicContact CG1-SD 3.81Å; V326-M464 HydrophobicContact CG2-CB 4.24Å
327	L	94.4	Very high	95	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-38.4	175	-74.2	173.9	0	0	0	111.5	P323 F331 T406 Y409 A410 V413 M464	P323-L327 WeakPolarHBondContact O-CB 3.13Å; P323-L327 VanDerWaalsContact O-CG 3.31Å; P323-L327 WeakPolarHBondContact O-CG 3.4Å; P323-L327 PolarHBondContact O-N 2.81Å; L327-F331 VanDerWaalsContact O-CB 3.24Å; L327-F331 WeakPolarHBondContact O-CB 3.5Å; L327-F331 PolarHBondContact O-N 2.84Å; L327-T406 HydrophobicContact CD1-CG2 4.26Å; L327-Y409 HydrophobicContact CB-CD1 4.3Å; L327-Y409 HydrophobicContact CB-CE1 3.84Å; L327-Y409 HydrophobicContact CD1-CD1 4.4Å; L327-A410 HydrophobicContact CD2-CB 4.35Å; L327-V413 HydrophobicContact CB-CG2 4.34Å; L327-V413 HydrophobicContact CD2-CB 4.39Å; L327-V413 HydrophobicContact CD2-CG1 4.37Å; L327-V413 HydrophobicContact CD2-CG2 4.11Å; L327-V413 WeakPolarHBondContact O-CG2 3.44Å; L327-M464 HydrophobicContact CD2-CE 4.28Å; L327-M464 HydrophobicContact CD2-SD 3.66Å; L327-M464 HydrophobicContact CG-SD 3.71Å
328	T	96.2	Very high	94.9	Very high	62 Å²	62	49.8 Å²	49.8	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-71.2	-40.3	178	-53.1	0	0	0	0	112.5	Y324 V325 V326 F331 V332 Y409	Y324-T328 WeakPolarHBondContact O-CB 3.19Å; Y324-T328 PolarHBondContact O-N 3.43Å; Y324-T328 PolarHBondContact O-OG1 3.24Å; V325-T328 PolarHBondContact O-N 2.77Å; V326-T328 PolarHBondContact O-N 2.78Å; T328-F331 PolarHBondContact O-N 2.71Å; T328-V332 WeakPolarHBondContact O-CG2 3.37Å; T328-V332 PolarHBondContact O-N 3.47Å; T328-Y409 VanDerWaalsContact CA-OH 3.27Å; T328-Y409 WeakPolarHBondContact CA-OH 3.34Å; T328-Y409 PolarHBondContact OG1-OH 3.25Å
329	I	95.5	Very high	94.6	Very high	75 Å²	75	46.1 Å²	46.1	39%	0.385	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-44.9	174	-71	166.3	0	0	0	110.6	V325 V326 R333 W457	V325-I329 HydrophobicContact CG1-CD1 3.94Å; V325-I329 WeakPolarHBondContact O-CG1 3.24Å; V325-I329 PolarHBondContact O-N 3.5Å; V326-I329 PolarHBondContact O-N 3.47Å; I329-R333 WeakPolarHBondContact O-CB 3.27Å; I329-R333 PolarHBondContact O-N 3.29Å; I329-W457 HydrophobicContact CG2-CZ3 3.85Å
330	L	92.9	Very high	94.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-33.3	176.1	-69.7	175.4	0	0	0	112.5	V326 G334 V413 I417 W457 F461	V326-L330 HydrophobicContact CG1-CD1 3.79Å; V326-L330 HydrophobicContact CG1-CG 4.17Å; V326-L330 WeakPolarHBondContact O-CB 3.4Å; V326-L330 WeakPolarHBondContact O-CG 2.97Å; V326-L330 PolarHBondContact O-N 2.92Å; L330-G334 WeakPolarHBondContact O-CA 3.22Å; L330-G334 PolarHBondContact O-N 3.38Å; L330-V413 HydrophobicContact CB-CG1 3.53Å; L330-I417 HydrophobicContact CD2-CD1 4.45Å; L330-W457 HydrophobicContact CD2-CE3 3.78Å; L330-W457 HydrophobicContact CD2-CZ3 4.35Å; L330-F461 HydrophobicContact CD1-CD2 4.07Å
331	F	95.2	Very high	94.5	Very high	61 Å²	61	52.5 Å²	52.5	27%	0.268	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-56.4	173	179.9	-114	0	0	0	110.5	L327 T328 R333 G334 V335 Y409 F412 V413	L327-F331 VanDerWaalsContact O-CB 3.24Å; L327-F331 WeakPolarHBondContact O-CB 3.5Å; L327-F331 PolarHBondContact O-N 2.84Å; T328-F331 PolarHBondContact O-N 2.71Å; F331-R333 VanDerWaalsContact C-N 3.29Å; F331-R333 PolarHBondContact O-N 2.87Å; F331-G334 PolarHBondContact O-N 3.21Å; F331-G334 VanDerWaalsContact O-N 3.16Å; F331-V335 HydrophobicContact CD2-CG1 3.99Å; F331-V335 HydrophobicContact CE1-CG1 4.5Å; F331-V335 HydrophobicContact CE2-CG1 3.56Å; F331-V335 HydrophobicContact CZ-CG1 3.86Å; F331-V335 WeakPolarHBondContact O-CG2 3.31Å; F331-V335 PolarHBondContact O-N 3.26Å; F331-Y409 HydrophobicContact CB-CE2 4.4Å; F331-Y409 HydrophobicContact CD1-CE2 4.36Å; F331-Y409 HydrophobicContact CD2-CE2 4.3Å; F331-Y409 HydrophobicContact CG-CE2 4.09Å; F331-F412 HydrophobicContact CD2-CB 4.25Å; F331-F412 HydrophobicContact CE2-CB 3.99Å; F331-V413 HydrophobicContact CB-CG2 3.86Å; F331-V413 HydrophobicContact CD2-CG2 4.39Å
332	V	95.9	Very high	94.3	Very high	82 Å²	82	53.3 Å²	53.3	50%	0.497	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-41.2	-179.7	173.8	0	0	0	0	110.5	T328 T336	T328-V332 WeakPolarHBondContact O-CG2 3.37Å; T328-V332 PolarHBondContact O-N 3.47Å; V332-T336 VanDerWaalsContact O-CG2 3.26Å; V332-T336 WeakPolarHBondContact O-CG2 3.42Å; V332-T336 PolarHBondContact O-N 3.24Å; V332-T336 PolarHBondContact O-OG1 3.37Å
333	R	94.1	Very high	94.1	Very high	62 Å²	62	50.9 Å²	50.9	23%	0.234	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-48.9	174.4	-177.2	61.7	-170.6	128	-4.2	111.5	I329 F331 V335 T336 L337 L451 W457	I329-R333 WeakPolarHBondContact O-CB 3.27Å; I329-R333 PolarHBondContact O-N 3.29Å; F331-R333 VanDerWaalsContact C-N 3.29Å; F331-R333 PolarHBondContact O-N 2.87Å; R333-V335 PolarHBondContact O-N 2.82Å; R333-T336 PolarHBondContact NH1-OG1 2.88Å; R333-T336 VanDerWaalsContact NH1-OG1 3.15Å; R333-T336 PolarHBondContact O-N 2.73Å; R333-T336 PolarHBondContact O-OG1 2.87Å; R333-L337 VanDerWaalsContact CZ-CD2 3.49Å; R333-L451 HydrophobicContact CG-CD1 4.47Å; R333-W457 HydrophobicContact CB-CE3 4.5Å; R333-W457 HydrophobicContact CB-CH2 3.63Å; R333-W457 HydrophobicContact CB-CZ2 4.48Å; R333-W457 HydrophobicContact CB-CZ3 3.62Å; R333-W457 HydrophobicContact CG-CE3 4.33Å; R333-W457 HydrophobicContact CG-CH2 3.48Å; R333-W457 VanDerWaalsContact CG-CH2 3.48Å; R333-W457 HydrophobicContact CG-CZ2 3.84Å; R333-W457 HydrophobicContact CG-CZ3 3.74Å
334	G	93	Very high	94.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-47.8	-176.7	0	0	0	0	0	113	L330 F331 T336 L337 A340 S416	L330-G334 WeakPolarHBondContact O-CA 3.22Å; L330-G334 PolarHBondContact O-N 3.38Å; F331-G334 PolarHBondContact O-N 3.21Å; F331-G334 VanDerWaalsContact O-N 3.16Å; G334-T336 PolarHBondContact O-N 3.32Å; G334-L337 WeakPolarHBondContact O-CB 3.21Å; G334-L337 PolarHBondContact O-N 3.41Å; G334-L337 VanDerWaalsContact O-N 3.14Å; G334-A340 WeakPolarHBondContact O-CB 3.22Å; G334-S416 WeakPolarHBondContact CA-OG 3.38Å
335	V	96	Very high	93.9	Very high	62 Å²	62	53.4 Å²	53.4	38%	0.376	28%	0.284	S	S	.	.	H	α-helix	trans	-71.5	-13.3	179.2	-55.4	0	0	0	0	114.3	F331 R333 L337 I344	F331-V335 HydrophobicContact CD2-CG1 3.99Å; F331-V335 HydrophobicContact CE1-CG1 4.5Å; F331-V335 HydrophobicContact CE2-CG1 3.56Å; F331-V335 HydrophobicContact CZ-CG1 3.86Å; F331-V335 WeakPolarHBondContact O-CG2 3.31Å; F331-V335 PolarHBondContact O-N 3.26Å; R333-V335 PolarHBondContact O-N 2.82Å; V335-L337 VanDerWaalsContact C-N 3.34Å; V335-I344 HydrophobicContact CG1-CD1 4.13Å
336	T	94.4	Very high	93.6	Very high	88 Å²	88	53.4 Å²	53.4	54%	0.54	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.9	172.6	60.1	0	0	0	0	113.5	V332 R333 G334	V332-T336 VanDerWaalsContact O-CG2 3.26Å; V332-T336 WeakPolarHBondContact O-CG2 3.42Å; V332-T336 PolarHBondContact O-N 3.24Å; V332-T336 PolarHBondContact O-OG1 3.37Å; R333-T336 PolarHBondContact NH1-OG1 2.88Å; R333-T336 VanDerWaalsContact NH1-OG1 3.15Å; R333-T336 PolarHBondContact O-N 2.73Å; R333-T336 PolarHBondContact O-OG1 2.87Å; G334-T336 PolarHBondContact O-N 3.32Å
337	L	93.1	Very high	93.4	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.094	28%	0.277	C	S	.	.	S	Bend	trans	-89	144.1	175.9	-62	163	0	0	0	110.9	R333 G334 V335 A340 F420 L451	R333-L337 VanDerWaalsContact CZ-CD2 3.49Å; G334-L337 WeakPolarHBondContact O-CB 3.21Å; G334-L337 PolarHBondContact O-N 3.41Å; G334-L337 VanDerWaalsContact O-N 3.14Å; V335-L337 VanDerWaalsContact C-N 3.34Å; L337-A340 HydrophobicContact CB-CB 4.43Å; L337-A340 VanDerWaalsContact O-CB 3.22Å; L337-A340 WeakPolarHBondContact O-CB 3.31Å; L337-A340 PolarHBondContact O-N 3.12Å; L337-F420 HydrophobicContact CB-CB 3.73Å; L337-F420 HydrophobicContact CB-CD1 4.42Å; L337-F420 HydrophobicContact CB-CD2 3.84Å; L337-F420 HydrophobicContact CB-CG 3.74Å; L337-F420 HydrophobicContact CD1-CB 3.96Å; L337-F420 HydrophobicContact CD1-CD1 3.67Å; L337-F420 HydrophobicContact CD1-CE1 4.27Å; L337-F420 HydrophobicContact CD1-CG 3.82Å; L337-F420 HydrophobicContact CD2-CD1 4.27Å; L337-F420 HydrophobicContact CD2-CD2 4.25Å; L337-F420 HydrophobicContact CD2-CE1 4.2Å; L337-F420 HydrophobicContact CD2-CE2 4.21Å; L337-F420 HydrophobicContact CD2-CG 4.27Å; L337-F420 HydrophobicContact CD2-CZ 4.18Å; L337-F420 HydrophobicContact CG-CB 4.4Å; L337-F420 HydrophobicContact CG-CD1 4.33Å; L337-F420 HydrophobicContact CG-CD2 4.43Å; L337-F420 HydrophobicContact CG-CG 4.14Å; L337-L451 HydrophobicContact CD1-CD2 3.71Å; L337-L451 HydrophobicContact CD2-CD2 3.78Å; L337-L451 HydrophobicContact CG-CD2 4.37Å
338	E	92.1	Very high	93.3	Very high	169 Å²	169	56.5 Å²	56.5	79%	0.79	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	142.3	171.9	-62	-178.3	172.7	0	0	110.1	A340 F420	E338-A340 PolarHBondContact O-N 3.03Å; E338-A340 VanDerWaalsContact O-N 3.16Å; E338-F420 WeakPolarHBondContact O-CA 3.28Å; E338-F420 WeakPolarHBondContact O-CD2 3.39Å
339	G	90.1	Very high	93.2	Very high	20 Å²	20	56.5 Å²	56.5	21%	0.206	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-6.4	-177	0	0	0	0	0	116.1	F341 T342 G419	G339-F341 PolarHBondContact O-N 3.27Å; G339-F341 VanDerWaalsContact O-N 3.17Å; G339-T342 VanDerWaalsContact O-CB 3.26Å; G339-T342 WeakPolarHBondContact O-CB 3.2Å; G339-T342 PolarHBondContact O-N 3.22Å; G339-T342 PolarHBondContact O-OG1 3.49Å; G339-G419 CarbonylContact O-C 3.38Å; G339-G419 VanDerWaalsContact O-C 3.31Å
340	A	93.4	Very high	93.2	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-56.6	-34.1	177.9	0	0	0	0	0	113.5	G334 L337 E338 T342 G343 I344 S416	G334-A340 WeakPolarHBondContact O-CB 3.22Å; L337-A340 HydrophobicContact CB-CB 4.43Å; L337-A340 VanDerWaalsContact O-CB 3.22Å; L337-A340 WeakPolarHBondContact O-CB 3.31Å; L337-A340 PolarHBondContact O-N 3.12Å; E338-A340 PolarHBondContact O-N 3.03Å; E338-A340 VanDerWaalsContact O-N 3.16Å; A340-T342 VanDerWaalsContact C-N 3.28Å; A340-T342 PolarHBondContact O-N 2.94Å; A340-G343 PolarHBondContact O-N 3.23Å; A340-I344 PolarHBondContact O-N 3.39Å; A340-I344 VanDerWaalsContact O-N 3.14Å; A340-S416 WeakPolarHBondContact CA-O 3.38Å; A340-S416 WeakPolarHBondContact CB-O 3.18Å
341	F	93.1	Very high	93.2	Very high	147 Å²	147	60.1 Å²	60.1	65%	0.645	31%	0.313	S	S	*	.	H	α-helix	trans	-61.4	-33.7	175.5	-172.8	-102.7	0	0	0	112.8	G339 G343 I344 M345	G339-F341 PolarHBondContact O-N 3.27Å; G339-F341 VanDerWaalsContact O-N 3.17Å; F341-G343 VanDerWaalsContact C-N 3.33Å; F341-G343 PolarHBondContact O-N 2.93Å; F341-I344 PolarHBondContact O-N 2.95Å; F341-M345 HydrophobicContact CE1-CE 3.56Å; F341-M345 HydrophobicContact CE2-CE 4.24Å; F341-M345 HydrophobicContact CZ-CE 3.33Å; F341-M345 VanDerWaalsContact O-CB 3.28Å; F341-M345 WeakPolarHBondContact O-CB 3.17Å; F341-M345 PolarHBondContact O-N 3.26Å
342	T	91.9	Very high	93.1	Very high	78 Å²	78	64.2 Å²	64.2	48%	0.479	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-42.4	177.3	-52.2	0	0	0	0	111.3	G339 A340 Y346 V429	G339-T342 VanDerWaalsContact O-CB 3.26Å; G339-T342 WeakPolarHBondContact O-CB 3.2Å; G339-T342 PolarHBondContact O-N 3.22Å; G339-T342 PolarHBondContact O-OG1 3.49Å; A340-T342 VanDerWaalsContact C-N 3.28Å; A340-T342 PolarHBondContact O-N 2.94Å; T342-Y346 WeakPolarHBondContact O-CB 3.2Å; T342-Y346 PolarHBondContact O-N 3.14Å; T342-V429 HydrophobicContact CG2-CG2 4.28Å
343	G	92.1	Very high	93	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-70	-42.4	176.6	0	0	0	0	0	112.9	A340 F341 M345 Y346 Y347 F415	A340-G343 PolarHBondContact O-N 3.23Å; F341-G343 VanDerWaalsContact C-N 3.33Å; F341-G343 PolarHBondContact O-N 2.93Å; G343-M345 VanDerWaalsContact C-N 3.3Å; G343-M345 PolarHBondContact O-N 3.43Å; G343-Y346 WeakPolarHBondContact O-CB 3.3Å; G343-Y346 PolarHBondContact O-N 3.27Å; G343-Y347 PolarHBondContact O-N 2.98Å; G343-F415 WeakPolarHBondContact CA-O 3.44Å
344	I	93.9	Very high	92.8	Very high	28 Å²	28	66.5 Å²	66.5	14%	0.144	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-38.9	174.9	-64.4	170	0	0	0	111.1	V335 A340 F341 Y347 L348 F412	V335-I344 HydrophobicContact CG1-CD1 4.13Å; A340-I344 PolarHBondContact O-N 3.39Å; A340-I344 VanDerWaalsContact O-N 3.14Å; F341-I344 PolarHBondContact O-N 2.95Å; I344-Y347 WeakPolarHBondContact O-CB 3.36Å; I344-Y347 PolarHBondContact O-N 3.33Å; I344-L348 HydrophobicContact CG2-CD1 4.05Å; I344-L348 HydrophobicContact CG2-CG 4.47Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 2.75Å; I344-F412 HydrophobicContact CG2-CD1 4.03Å; I344-F412 HydrophobicContact CG2-CE1 3.92Å
345	M	92.4	Very high	92.7	Very high	88 Å²	88	68.2 Å²	68.2	43%	0.433	35%	0.347	S	S	.	.	H	α-helix	trans	-64.9	-43.3	174.3	-171.2	59.5	65.5	0	0	111.2	F341 G343 Y347 L348 T349	F341-M345 HydrophobicContact CE1-CE 3.56Å; F341-M345 HydrophobicContact CE2-CE 4.24Å; F341-M345 HydrophobicContact CZ-CE 3.33Å; F341-M345 VanDerWaalsContact O-CB 3.28Å; F341-M345 WeakPolarHBondContact O-CB 3.17Å; F341-M345 PolarHBondContact O-N 3.26Å; G343-M345 VanDerWaalsContact C-N 3.3Å; G343-M345 PolarHBondContact O-N 3.43Å; M345-Y347 VanDerWaalsContact C-N 3.29Å; M345-Y347 PolarHBondContact O-N 3.39Å; M345-L348 PolarHBondContact O-N 3.39Å; M345-T349 VanDerWaalsContact O-CB 3.29Å; M345-T349 WeakPolarHBondContact O-CB 3.28Å; M345-T349 PolarHBondContact O-N 2.98Å; M345-T349 PolarHBondContact O-OG1 3.28Å
346	Y	89.8	Confident	92.4	Very high	75 Å²	75	72.1 Å²	72.1	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-36.8	175.6	-174.6	-100	0	0	0	112.7	Y131 T342 G343 F415 V429 S430	Y131-Y346 AromaticContact CD2-CE1 3.83Å; Y131-Y346 HydrophobicContact CD2-CE1 3.83Å; Y131-Y346 WeakPolarHBondContact CD2-OH 3.39Å; Y131-Y346 AromaticContact CG-CE1 3.91Å; Y131-Y346 HydrophobicContact CG-CE1 3.91Å; T342-Y346 WeakPolarHBondContact O-CB 3.2Å; T342-Y346 PolarHBondContact O-N 3.14Å; G343-Y346 WeakPolarHBondContact O-CB 3.3Å; G343-Y346 PolarHBondContact O-N 3.27Å; Y346-F415 HydrophobicContact CD1-CD1 4.36Å; Y346-F415 AromaticContact CD1-CE1 3.8Å; Y346-F415 HydrophobicContact CD1-CE1 3.8Å; Y346-F415 HydrophobicContact CE1-CE1 4.27Å; Y346-V429 HydrophobicContact CD1-CB 3.93Å; Y346-V429 HydrophobicContact CD1-CG1 3.61Å; Y346-V429 HydrophobicContact CD2-CB 4.36Å; Y346-V429 HydrophobicContact CE1-CB 4.35Å; Y346-V429 HydrophobicContact CE1-CG1 4.11Å; Y346-V429 HydrophobicContact CG-CB 3.93Å; Y346-V429 HydrophobicContact CG-CG1 4.06Å; Y346-V429 HydrophobicContact CG-CG2 4.46Å; Y346-S430 WeakPolarHBondContact OH-CB 3.31Å
347	Y	92.4	Very high	92.1	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-67.7	-44.3	174.6	173.9	-135.9	0	0	0	113.4	F126 C130 G135 G136 M139 G343 I344 M345 V408 F412 F415	F126-Y347 HydrophobicContact CE1-CE2 4.47Å; C130-Y347 HydrophobicContact CB-CD2 4.28Å; C130-Y347 HydrophobicContact CB-CE2 3.94Å; G135-Y347 CarbonylContact C-O 3.59Å; G135-Y347 VanDerWaalsContact C-O 3.28Å; G135-Y347 WeakPolarHBondContact CA-O 3.17Å; G136-Y347 PolarHBondContact N-O 2.9Å; G136-Y347 VanDerWaalsContact N-O 3.13Å; M139-Y347 HydrophobicContact CE-CE1 4.08Å; M139-Y347 HydrophobicContact CE-CE2 3.72Å; M139-Y347 VanDerWaalsContact CE-CZ 3.46Å; M139-Y347 WeakPolarHBondContact CE-OH 3.2Å; G343-Y347 PolarHBondContact O-N 2.98Å; I344-Y347 WeakPolarHBondContact O-CB 3.36Å; I344-Y347 PolarHBondContact O-N 3.33Å; M345-Y347 VanDerWaalsContact C-N 3.29Å; M345-Y347 PolarHBondContact O-N 3.39Å; Y347-V408 WeakPolarHBondContact OH-CA 3.21Å; Y347-V408 PolarHBondContact OH-O 3.3Å; Y347-F412 HydrophobicContact CE1-CD1 4.4Å; Y347-F412 AromaticContact CE1-CD2 3.92Å; Y347-F412 HydrophobicContact CE1-CD2 3.92Å; Y347-F412 HydrophobicContact CE1-CE2 4.04Å; Y347-F412 HydrophobicContact CE1-CG 4.11Å; Y347-F412 HydrophobicContact CE1-CZ 4.36Å; Y347-F415 HydrophobicContact CD1-CD2 4.25Å; Y347-F415 AromaticContact CD2-CD2 3.58Å; Y347-F415 HydrophobicContact CD2-CD2 3.58Å; Y347-F415 AromaticContact CD2-CE2 3.63Å; Y347-F415 HydrophobicContact CD2-CE2 3.63Å; Y347-F415 HydrophobicContact CE2-CD2 4.33Å; Y347-F415 HydrophobicContact CE2-CE2 4.38Å; Y347-F415 HydrophobicContact CG-CB 4.39Å; Y347-F415 AromaticContact CG-CD2 3.53Å; Y347-F415 HydrophobicContact CG-CD2 3.53Å; Y347-F415 HydrophobicContact CG-CE2 4.03Å; Y347-F415 HydrophobicContact CG-CG 4.09Å
348	L	92.6	Very high	91.6	Very high	66 Å²	66	72.4 Å²	72.4	35%	0.346	37%	0.365	S	S	.	.	H	α-helix	trans	-93.1	-19.3	-171.4	-65.9	-176.7	0	0	0	115.2	G136 M139 I344 M345 P350 F412	G136-L348 WeakPolarHBondContact CA-O 3.42Å; G136-L348 PolarHBondContact N-O 2.92Å; M139-L348 HydrophobicContact CE-CD2 3.89Å; I344-L348 HydrophobicContact CG2-CD1 4.05Å; I344-L348 HydrophobicContact CG2-CG 4.47Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 2.75Å; M345-L348 PolarHBondContact O-N 3.39Å; L348-P350 VanDerWaalsContact O-CD 3.29Å; L348-P350 WeakPolarHBondContact O-CD 3.39Å; L348-F412 HydrophobicContact CD1-CE1 3.78Å; L348-F412 HydrophobicContact CD1-CZ 3.89Å; L348-F412 HydrophobicContact CD2-CE1 4.43Å; L348-F412 HydrophobicContact CD2-CZ 3.99Å; L348-F412 HydrophobicContact CG-CE1 4.36Å; L348-F412 HydrophobicContact CG-CZ 4.38Å
349	T	93.4	Very high	91.2	Very high	62 Å²	62	67.4 Å²	67.4	38%	0.38	34%	0.341	S	S	.	.			trans	-62.6	118.6	-178.3	-63.6	0	0	0	0	109.8	G136 M345	G136-T349 PolarHBondContact N-O 3.45Å; M345-T349 VanDerWaalsContact O-CB 3.29Å; M345-T349 WeakPolarHBondContact O-CB 3.28Å; M345-T349 PolarHBondContact O-N 2.98Å; M345-T349 PolarHBondContact O-OG1 3.28Å
350	P	94.4	Very high	91.1	Very high	58 Å²	58	66.4 Å²	66.4	38%	0.377	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-84.7	125.8	-175.6	32.5	-32.8	0	0	0	111.7	A137 L348 W352	A137-P350 HydrophobicContact CB-CB 3.94Å; L348-P350 VanDerWaalsContact O-CD 3.29Å; L348-P350 WeakPolarHBondContact O-CD 3.39Å; P350-W352 HydrophobicContact CB-CD2 4.41Å; P350-W352 HydrophobicContact CB-CZ2 3.93Å; P350-W352 HydrophobicContact CG-CZ2 4.26Å
351	Q	93.5	Very high	90.9	Very high	96 Å²	96	69.5 Å²	69.5	45%	0.449	34%	0.342	S	S	.	.			trans	-101.1	89.5	170.7	-58.8	178.7	-4	0	0	109.3	G134 D353 K354	G134-Q351 PolarHBondContact O-N 3.37Å; Q351-D353 PolarHBondContact O-N 3.26Å; Q351-K354 HydrophobicContact CB-CG 4.18Å; Q351-K354 WeakPolarHBondContact O-CB 3.16Å; Q351-K354 PolarHBondContact O-N 3.43Å; Q351-K354 VanDerWaalsContact O-N 3.08Å
352	W	93.5	Very high	90.4	Very high	146 Å²	146	63.1 Å²	63.1	55%	0.553	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-64.8	-22.4	-173.2	-63.4	108.8	0	0	0	114.4	A137 P350 K354 I355	A137-W352 HydrophobicContact CB-CD2 4.43Å; A137-W352 HydrophobicContact CB-CE3 4.11Å; A137-W352 HydrophobicContact CB-CZ3 4.36Å; P350-W352 HydrophobicContact CB-CD2 4.41Å; P350-W352 HydrophobicContact CB-CZ2 3.93Å; P350-W352 HydrophobicContact CG-CZ2 4.26Å; W352-K354 PolarHBondContact O-N 2.93Å; W352-I355 HydrophobicContact CE3-CD1 3.9Å; W352-I355 HydrophobicContact CE3-CG1 4.29Å; W352-I355 HydrophobicContact CZ3-CD1 4.36Å; W352-I355 WeakPolarHBondContact O-CG1 3.36Å; W352-I355 PolarHBondContact O-N 3.11Å
353	D	93.9	Very high	90.1	Very high	131 Å²	131	61 Å²	61	70%	0.701	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.2	174.3	-51.6	-65	0	0	0	111.9	Q351 I355 L356	Q351-D353 PolarHBondContact O-N 3.26Å; D353-I355 PolarHBondContact O-N 3.2Å; D353-L356 WeakPolarHBondContact O-CB 3.49Å; D353-L356 PolarHBondContact O-N 3.48Å
354	K	90	Very high	90	Very high	61 Å²	61	61 Å²	61	27%	0.265	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-69.2	-30	-179.6	-71.9	-56.4	-166.3	176	0	114.1	Q351 W352 L356 E357 V360	Q351-K354 HydrophobicContact CB-CG 4.18Å; Q351-K354 WeakPolarHBondContact O-CB 3.16Å; Q351-K354 PolarHBondContact O-N 3.43Å; Q351-K354 VanDerWaalsContact O-N 3.08Å; W352-K354 PolarHBondContact O-N 2.93Å; K354-L356 PolarHBondContact O-N 2.94Å; K354-E357 WeakPolarHBondContact CD-OE1 3.14Å; K354-E357 WeakPolarHBondContact CE-OE1 3.33Å; K354-E357 IonicContact NZ-OE1 2.83Å; K354-E357 PolarHBondContact NZ-OE1 2.68Å; K354-E357 IonicContact NZ-OE2 2.94Å; K354-E357 PolarHBondContact NZ-OE2 3.39Å; K354-E357 WeakPolarHBondContact O-CB 3.22Å; K354-E357 PolarHBondContact O-N 3.21Å; K354-V360 HydrophobicContact CB-CG2 4.41Å; K354-V360 VanDerWaalsContact O-CG2 3.26Å; K354-V360 WeakPolarHBondContact O-CG2 3.39Å
355	I	91	Very high	89.6	Confident	36 Å²	36	59.7 Å²	59.7	19%	0.185	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-71.7	-8.7	179.6	60.8	151.3	0	0	0	113.4	A137 P141 W352 D353 W361	A137-I355 HydrophobicContact CB-CG2 4.03Å; P141-I355 HydrophobicContact CG-CG2 4.48Å; W352-I355 HydrophobicContact CE3-CD1 3.9Å; W352-I355 HydrophobicContact CE3-CG1 4.29Å; W352-I355 HydrophobicContact CZ3-CD1 4.36Å; W352-I355 WeakPolarHBondContact O-CG1 3.36Å; W352-I355 PolarHBondContact O-N 3.11Å; D353-I355 PolarHBondContact O-N 3.2Å; I355-W361 PolarHBondContact O-NE1 3.17Å
356	L	89.4	Confident	89.2	Confident	145 Å²	145	57.1 Å²	57.1	76%	0.759	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-78.5	-20.3	170.7	-56.6	176.8	0	0	0	112.3	D353 K354 A358	D353-L356 WeakPolarHBondContact O-CB 3.49Å; D353-L356 PolarHBondContact O-N 3.48Å; K354-L356 PolarHBondContact O-N 2.94Å; L356-A358 PolarHBondContact O-N 2.88Å
357	E	87.3	Confident	89.1	Confident	80 Å²	80	53.6 Å²	53.6	37%	0.374	27%	0.274	S	S	.	.	S	Bend	trans	-76.8	115.8	177	-63.1	178.4	-160.5	0	0	109.9	K354 K359 V360	K354-E357 WeakPolarHBondContact CD-OE1 3.14Å; K354-E357 WeakPolarHBondContact CE-OE1 3.33Å; K354-E357 IonicContact NZ-OE1 2.83Å; K354-E357 PolarHBondContact NZ-OE1 2.68Å; K354-E357 IonicContact NZ-OE2 2.94Å; K354-E357 PolarHBondContact NZ-OE2 3.39Å; K354-E357 WeakPolarHBondContact O-CB 3.22Å; K354-E357 PolarHBondContact O-N 3.21Å; E357-K359 PolarHBondContact O-N 2.85Å; E357-V360 HydrophobicContact CB-CG2 4.1Å; E357-V360 WeakPolarHBondContact O-CB 3.48Å; E357-V360 PolarHBondContact O-N 2.96Å
358	A	83.5	Confident	89	Confident	32 Å²	32	53.7 Å²	53.7	26%	0.264	27%	0.274	S	S	.	.	H	α-helix	trans	-57	-24.8	179.1	0	0	0	0	0	113.6	L356 V360 W361 G362 F590	L356-A358 PolarHBondContact O-N 2.88Å; A358-V360 VanDerWaalsContact C-N 3.3Å; A358-V360 PolarHBondContact O-N 3.37Å; A358-W361 PolarHBondContact O-N 2.94Å; A358-G362 PolarHBondContact O-N 2.83Å; A358-G362 VanDerWaalsContact O-N 3.12Å; A358-F590 HydrophobicContact CB-CD1 3.75Å; A358-F590 HydrophobicContact CB-CE1 3.4Å; A358-F590 HydrophobicContact CB-CZ 4.23Å
359	K	83.3	Confident	88.7	Confident	63 Å²	63	50.9 Å²	50.9	27%	0.274	26%	0.259	S	S	.	.	H	α-helix	trans	-58.2	-40	172.9	-177.3	172	179.2	167.7	0	112.6	E357 W361 G362 D363 Q594	E357-K359 PolarHBondContact O-N 2.85Å; K359-W361 VanDerWaalsContact C-N 3.28Å; K359-W361 PolarHBondContact O-N 3.17Å; K359-G362 PolarHBondContact O-N 3.43Å; K359-G362 VanDerWaalsContact O-N 3.11Å; K359-D363 PolarHBondContact O-N 3.45Å; K359-Q594 VanDerWaalsContact CA-OE1 3.3Å
360	V	89.1	Confident	88.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-37.1	-179.8	167.1	0	0	0	0	111.3	N133 F138 P141 K354 E357 A358 A364	N133-V360 HydrophobicContact CB-CB 4.36Å; N133-V360 HydrophobicContact CB-CG1 4.06Å; N133-V360 HydrophobicContact CB-CG2 3.79Å; F138-V360 HydrophobicContact CD2-CG1 4.11Å; P141-V360 HydrophobicContact CG-CG1 4.03Å; K354-V360 HydrophobicContact CB-CG2 4.41Å; K354-V360 VanDerWaalsContact O-CG2 3.26Å; K354-V360 WeakPolarHBondContact O-CG2 3.39Å; E357-V360 HydrophobicContact CB-CG2 4.1Å; E357-V360 WeakPolarHBondContact O-CB 3.48Å; E357-V360 PolarHBondContact O-N 2.96Å; A358-V360 VanDerWaalsContact C-N 3.3Å; A358-V360 PolarHBondContact O-N 3.37Å; V360-A364 VanDerWaalsContact O-CB 3.25Å; V360-A364 WeakPolarHBondContact O-CB 3.27Å; V360-A364 PolarHBondContact O-N 3.03Å
361	W	88.1	Confident	88.1	Confident	67 Å²	67	46.7 Å²	46.7	25%	0.254	23%	0.23	S	C	.	.	H	α-helix	trans	-71.2	-37.8	173.6	-67.6	85.6	0	0	0	112.7	F140 P141 I144 M145 I355 A358 K359 A365	F140-W361 HydrophobicContact CD1-CH2 4.16Å; F140-W361 HydrophobicContact CD1-CZ2 4.37Å; F140-W361 AromaticContact CE1-CH2 3.88Å; F140-W361 HydrophobicContact CE1-CH2 3.88Å; F140-W361 HydrophobicContact CE1-CZ2 4.22Å; P141-W361 HydrophobicContact CB-CD2 3.61Å; P141-W361 HydrophobicContact CB-CE3 3.44Å; P141-W361 VanDerWaalsContact CB-CE3 3.44Å; P141-W361 HydrophobicContact CB-CG 4.27Å; P141-W361 HydrophobicContact CB-CH2 3.96Å; P141-W361 HydrophobicContact CB-CZ2 4.1Å; P141-W361 HydrophobicContact CB-CZ3 3.63Å; I144-W361 HydrophobicContact CB-CZ3 4.2Å; I144-W361 HydrophobicContact CG2-CZ3 3.96Å; M145-W361 HydrophobicContact CE-CE3 3.82Å; I355-W361 PolarHBondContact O-NE1 3.17Å; A358-W361 PolarHBondContact O-N 2.94Å; K359-W361 VanDerWaalsContact C-N 3.28Å; K359-W361 PolarHBondContact O-N 3.17Å; W361-A365 WeakPolarHBondContact O-CB 3.39Å; W361-A365 PolarHBondContact O-N 3.36Å
362	G	82.5	Confident	88.1	Confident	13 Å²	13	42.1 Å²	42.1	13%	0.134	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-46.5	173.5	0	0	0	0	0	112.9	A358 K359 A365 S366	A358-G362 PolarHBondContact O-N 2.83Å; A358-G362 VanDerWaalsContact O-N 3.12Å; K359-G362 PolarHBondContact O-N 3.43Å; K359-G362 VanDerWaalsContact O-N 3.11Å; G362-A365 PolarHBondContact O-N 3.14Å; G362-S366 VanDerWaalsContact O-CB 3.32Å; G362-S366 WeakPolarHBondContact O-CB 3.44Å; G362-S366 PolarHBondContact O-N 3.36Å; G362-S366 PolarHBondContact O-OG 3.11Å
363	D	85.6	Confident	87.9	Confident	34 Å²	34	35.3 Å²	35.3	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-42.6	175.9	-77.9	-6.3	0	0	0	111.5	L129 N133 F138 K359 S366 Q367	L129-D363 HydrophobicContact CD2-CB 4.33Å; N133-D363 VanDerWaalsContact ND2-CB 3.29Å; N133-D363 WeakPolarHBondContact ND2-CB 3.41Å; N133-D363 PolarHBondContact ND2-OD2 3.29Å; F138-D363 HydrophobicContact CE2-CB 4.34Å; K359-D363 PolarHBondContact O-N 3.45Å; D363-S366 PolarHBondContact O-N 3.03Å; D363-Q367 VanDerWaalsContact O-CB 3.32Å; D363-Q367 WeakPolarHBondContact O-CB 3.32Å; D363-Q367 PolarHBondContact O-N 3.18Å
364	A	90.3	Very high	87.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-46.2	175.7	0	0	0	0	0	111.9	F138 P141 M145 V360 I368	F138-A364 HydrophobicContact CD2-CB 4.43Å; F138-A364 HydrophobicContact CE2-CB 3.68Å; F138-A364 HydrophobicContact CZ-CB 3.99Å; P141-A364 HydrophobicContact CB-CB 3.97Å; P141-A364 HydrophobicContact CG-CB 4.25Å; M145-A364 HydrophobicContact CG-CB 4.5Å; V360-A364 VanDerWaalsContact O-CB 3.25Å; V360-A364 WeakPolarHBondContact O-CB 3.27Å; V360-A364 PolarHBondContact O-N 3.03Å; A364-I368 WeakPolarHBondContact O-CG1 3.49Å; A364-I368 PolarHBondContact O-N 3.33Å
365	A	85.9	Confident	87.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.1	-49.4	176.8	0	0	0	0	0	111.9	M145 W361 G362 Q367 I368 F369 I587	M145-A365 HydrophobicContact CB-CB 4.49Å; M145-A365 HydrophobicContact CE-CB 4.28Å; M145-A365 HydrophobicContact CG-CB 3.91Å; M145-A365 HydrophobicContact SD-CB 3.69Å; W361-A365 WeakPolarHBondContact O-CB 3.39Å; W361-A365 PolarHBondContact O-N 3.36Å; G362-A365 PolarHBondContact O-N 3.14Å; A365-Q367 PolarHBondContact O-N 3.07Å; A365-I368 WeakPolarHBondContact O-CA 3.36Å; A365-I368 WeakPolarHBondContact O-CB 3.39Å; A365-I368 PolarHBondContact O-N 2.91Å; A365-F369 VanDerWaalsContact O-CD2 3.25Å; A365-F369 WeakPolarHBondContact O-CD2 3.29Å; A365-F369 PolarHBondContact O-N 3.48Å; A365-I587 HydrophobicContact CB-CD1 3.31Å; A365-I587 HydrophobicContact CB-CG1 3.78Å
366	S	82.8	Confident	88	Confident	35 Å²	35	24.8 Å²	24.8	25%	0.245	13%	0.13	C	C	.	.	H	α-helix	trans	-57.2	-37.9	179.3	-58.4	0	0	0	0	111.7	G362 D363 F369 Y370	G362-S366 VanDerWaalsContact O-CB 3.32Å; G362-S366 WeakPolarHBondContact O-CB 3.44Å; G362-S366 PolarHBondContact O-N 3.36Å; G362-S366 PolarHBondContact O-OG 3.11Å; D363-S366 PolarHBondContact O-N 3.03Å; S366-F369 PolarHBondContact O-N 2.79Å; S366-Y370 VanDerWaalsContact O-CB 3.23Å; S366-Y370 WeakPolarHBondContact O-CB 3.49Å; S366-Y370 PolarHBondContact O-N 2.88Å
367	Q	88.9	Confident	88.2	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-65.3	-38.6	173.5	-176.9	57.6	25	0	0	112.7	R125 F126 L129 Y142 D363 A365 S371	R125-Q367 VanDerWaalsContact CG-OE1 3.29Å; F126-Q367 HydrophobicContact CD2-CG 4.2Å; L129-Q367 HydrophobicContact CD1-CB 3.76Å; L129-Q367 HydrophobicContact CD1-CG 4.03Å; Y142-Q367 HydrophobicContact CD2-CG 4.44Å; Y142-Q367 HydrophobicContact CE2-CB 4.4Å; Y142-Q367 HydrophobicContact CE2-CG 3.88Å; D363-Q367 VanDerWaalsContact O-CB 3.32Å; D363-Q367 WeakPolarHBondContact O-CB 3.32Å; D363-Q367 PolarHBondContact O-N 3.18Å; A365-Q367 PolarHBondContact O-N 3.07Å; Q367-S371 WeakPolarHBondContact O-CB 3.17Å; Q367-S371 PolarHBondContact O-N 2.82Å
368	I	91.1	Very high	88.5	Confident	1 Å²	1	14 Å²	14	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-64.9	-47.7	174.5	-70.5	-68.2	0	0	0	111.2	Y142 M145 L146 A364 A365 Y370 S371 L372	Y142-I368 HydrophobicContact CD2-CD1 3.67Å; Y142-I368 HydrophobicContact CD2-CG1 3.76Å; Y142-I368 HydrophobicContact CE1-CD1 4.36Å; Y142-I368 HydrophobicContact CE2-CD1 3.22Å; Y142-I368 HydrophobicContact CE2-CG1 3.68Å; Y142-I368 HydrophobicContact CG-CD1 4.38Å; M145-I368 HydrophobicContact CB-CG1 4Å; L146-I368 HydrophobicContact CB-CD1 3.68Å; L146-I368 HydrophobicContact CD1-CD1 3.96Å; L146-I368 HydrophobicContact CG-CD1 4.36Å; A364-I368 WeakPolarHBondContact O-CG1 3.49Å; A364-I368 PolarHBondContact O-N 3.33Å; A365-I368 WeakPolarHBondContact O-CA 3.36Å; A365-I368 WeakPolarHBondContact O-CB 3.39Å; A365-I368 PolarHBondContact O-N 2.91Å; I368-Y370 PolarHBondContact O-N 3.31Å; I368-S371 PolarHBondContact O-N 2.84Å; I368-L372 HydrophobicContact CG2-CD1 3.87Å; I368-L372 WeakPolarHBondContact O-CB 3.26Å; I368-L372 PolarHBondContact O-N 3.03Å
369	F	85.1	Confident	89.1	Confident	8 Å²	8	12.5 Å²	12.5	4%	0.035	6%	0.063	C	C	.	.	H	α-helix	trans	-59.9	-46.9	176.9	-81.5	-80.2	0	0	0	112.2	C149 L153 A365 S366 G373 C374 I584 I587	C149-F369 HydrophobicContact CB-CZ 4.43Å; L153-F369 HydrophobicContact CD1-CD1 4.5Å; L153-F369 HydrophobicContact CD1-CE1 3.34Å; L153-F369 HydrophobicContact CD1-CZ 3.5Å; L153-F369 VanDerWaalsContact CD1-CZ 3.5Å; A365-F369 VanDerWaalsContact O-CD2 3.25Å; A365-F369 WeakPolarHBondContact O-CD2 3.29Å; A365-F369 PolarHBondContact O-N 3.48Å; S366-F369 PolarHBondContact O-N 2.79Å; F369-G373 PolarHBondContact O-N 3.35Å; F369-C374 HydrophobicContact CD1-CB 4.1Å; F369-C374 PolarHBondContact O-N 3.14Å; F369-I584 HydrophobicContact CZ-CD1 4.48Å; F369-I584 HydrophobicContact CZ-CG1 3.78Å; F369-I587 HydrophobicContact CE2-CD1 4.01Å
370	Y	84.2	Confident	89.8	Confident	27 Å²	27	9.5 Å²	9.5	11%	0.106	5%	0.05	C	C	.	.	H	α-helix	trans	-69.6	-38.4	-178.7	-166.5	-93.7	0	0	0	112.5	Y195 S366 I368 W376 D528	Y195-Y370 PolarHBondContact OH-OH 3.43Å; Y195-Y370 VanDerWaalsContact OH-OH 3.08Å; S366-Y370 VanDerWaalsContact O-CB 3.23Å; S366-Y370 WeakPolarHBondContact O-CB 3.49Å; S366-Y370 PolarHBondContact O-N 2.88Å; I368-Y370 PolarHBondContact O-N 3.31Å; Y370-W376 HydrophobicContact CD2-CH2 4.41Å; Y370-W376 AromaticContact CD2-CZ2 3.87Å; Y370-W376 HydrophobicContact CD2-CZ2 3.87Å; Y370-W376 HydrophobicContact CE2-CH2 4.16Å; Y370-W376 HydrophobicContact CE2-CZ2 4.01Å; Y370-W376 HydrophobicContact CG-CZ2 4.3Å; Y370-W376 WeakPolarHBondContact O-CZ2 3.22Å; Y370-D528 PolarHBondContact OH-OD1 2.59Å
371	S	91.5	Very high	90.1	Very high	5 Å²	5	9.5 Å²	9.5	4%	0.035	5%	0.05	C	C	.	.	H	α-helix	trans	-78.8	-29	-178.8	-177.6	0	0	0	0	113.6	A117 Q367 I368 N403	A117-S371 CarbonylContact C-O 3.53Å; A117-S371 VanDerWaalsContact CA-O 3.3Å; A117-S371 WeakPolarHBondContact CA-O 3.47Å; A117-S371 WeakPolarHBondContact CB-O 3.33Å; Q367-S371 WeakPolarHBondContact O-CB 3.17Å; Q367-S371 PolarHBondContact O-N 2.82Å; I368-S371 PolarHBondContact O-N 2.84Å; S371-N403 PolarHBondContact O-ND2 2.86Å; S371-N403 PolarHBondContact OG-ND2 3.22Å; S371-N403 PolarHBondContact OG-OD1 3.11Å; S371-N403 VanDerWaalsContact OG-OD1 3.11Å
372	L	92.8	Very high	90.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-87.2	-11.4	176.2	-72	177.1	0	0	0	113.7	L146 G150 F154 I368 C374 N403	L146-L372 HydrophobicContact CD1-CD1 4.09Å; G150-L372 VanDerWaalsContact CA-CD1 3.42Å; F154-L372 HydrophobicContact CD2-CB 4.01Å; F154-L372 HydrophobicContact CD2-CD1 4.47Å; F154-L372 HydrophobicContact CD2-CD2 4.01Å; F154-L372 HydrophobicContact CD2-CG 4.39Å; F154-L372 HydrophobicContact CE2-CB 4.37Å; F154-L372 HydrophobicContact CE2-CD2 4.14Å; F154-L372 WeakPolarHBondContact CE2-O 3.34Å; I368-L372 HydrophobicContact CG2-CD1 3.87Å; I368-L372 WeakPolarHBondContact O-CB 3.26Å; I368-L372 PolarHBondContact O-N 3.03Å; L372-C374 PolarHBondContact O-N 3.02Å; L372-N403 HydrophobicContact CD2-CB 4.19Å; L372-N403 WeakPolarHBondContact CD2-ND2 3.29Å
373	G	90.1	Very high	91.1	Very high	2 Å²	2	5.8 Å²	5.8	2%	0.021	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	22.7	-174.7	0	0	0	0	0	113.8	Y116 F369 W376	Y116-G373 WeakPolarHBondContact OH-CA 3.39Å; Y116-G373 PolarHBondContact OH-O 2.97Å; F369-G373 PolarHBondContact O-N 3.35Å; G373-W376 WeakPolarHBondContact O-CB 3.35Å; G373-W376 PolarHBondContact O-N 2.66Å
374	C	91.3	Very high	91.6	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.007	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	135.8	-177.5	-70	0	0	0	0	111.4	E157 F369 L372 W376	E157-C374 WeakPolarHBondContact OE1-CA 3.46Å; F369-C374 HydrophobicContact CD1-CB 4.1Å; F369-C374 PolarHBondContact O-N 3.14Å; L372-C374 PolarHBondContact O-N 3.02Å; C374-W376 VanDerWaalsContact C-N 3.31Å
375	A	91.8	Very high	91.7	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	23	-176	0	0	0	0	0	115.6	E157 M185 L536 I539 S540 M543	E157-A375 PolarHBondContact OE1-N 2.83Å; E157-A375 PolarHBondContact OE2-N 3.35Å; M185-A375 HydrophobicContact CE-CB 4.45Å; M185-A375 WeakPolarHBondContact CG-O 3.33Å; A375-L536 HydrophobicContact CB-CD2 4.37Å; A375-L536 WeakPolarHBondContact O-CD2 3.24Å; A375-I539 HydrophobicContact CB-CB 4.47Å; A375-I539 HydrophobicContact CB-CG2 3.88Å; A375-S540 WeakPolarHBondContact CB-OG 3.26Å; A375-M543 HydrophobicContact CB-CE 4.37Å
376	W	93.4	Very high	92.1	Very high	6 Å²	6	4.9 Å²	4.9	2%	0.023	3%	0.027	C	C	.	.	S	Bend	trans	-91.2	-15.5	172.7	-58.1	20.6	0	0	0	111.2	Y116 S189 I192 Y370 G373 C374 G378 T472 L476 L536	Y116-W376 HydrophobicContact CE2-CE3 4.09Å; Y116-W376 HydrophobicContact CE2-CZ3 4.41Å; Y116-W376 WeakPolarHBondContact OH-CB 3.44Å; Y116-W376 VanDerWaalsContact OH-CE3 3.29Å; S189-W376 PolarHBondContact OG-O 2.91Å; I192-W376 HydrophobicContact CD1-CD2 3.81Å; I192-W376 HydrophobicContact CD1-CE3 3.77Å; I192-W376 HydrophobicContact CD1-CH2 3.86Å; I192-W376 HydrophobicContact CD1-CZ2 3.88Å; I192-W376 HydrophobicContact CD1-CZ3 3.81Å; I192-W376 HydrophobicContact CG2-CH2 4.27Å; I192-W376 HydrophobicContact CG2-CZ3 3.92Å; Y370-W376 HydrophobicContact CD2-CH2 4.41Å; Y370-W376 AromaticContact CD2-CZ2 3.87Å; Y370-W376 HydrophobicContact CD2-CZ2 3.87Å; Y370-W376 HydrophobicContact CE2-CH2 4.16Å; Y370-W376 HydrophobicContact CE2-CZ2 4.01Å; Y370-W376 HydrophobicContact CG-CZ2 4.3Å; Y370-W376 WeakPolarHBondContact O-CZ2 3.22Å; G373-W376 WeakPolarHBondContact O-CB 3.35Å; G373-W376 PolarHBondContact O-N 2.66Å; C374-W376 VanDerWaalsContact C-N 3.31Å; W376-G378 VanDerWaalsContact C-N 3.27Å; W376-T472 HydrophobicContact CZ3-CG2 4.26Å; W376-L476 HydrophobicContact CE3-CD2 3.77Å; W376-L476 HydrophobicContact CZ3-CD2 4.19Å; W376-L536 HydrophobicContact CG-CD2 4.21Å
377	G	94	Very high	92.6	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	84	-6.3	-172	0	0	0	0	0	114.5	T381	G377-T381 WeakPolarHBondContact O-CB 3.33Å; G377-T381 PolarHBondContact O-N 2.76Å; G377-T381 PolarHBondContact O-OG1 3.41Å
378	G	94.3	Very high	92.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.1	-52.1	175.5	0	0	0	0	0	112.9	W376 I380 T381 M382 T479	W376-G378 VanDerWaalsContact C-N 3.27Å; G378-I380 PolarHBondContact O-N 3.22Å; G378-T381 PolarHBondContact O-N 2.69Å; G378-T381 VanDerWaalsContact O-N 3.1Å; G378-M382 WeakPolarHBondContact O-CG 3.26Å; G378-M382 PolarHBondContact O-N 2.99Å; G378-T479 WeakPolarHBondContact CA-OG1 3.21Å
379	L	95.8	Very high	92.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.2	-47.2	178.8	-60.2	-179.2	0	0	0	112.4	Y116 F154 E157 L158 T381 M382 A383	Y116-L379 HydrophobicContact CD1-CD2 3.65Å; Y116-L379 HydrophobicContact CD1-CG 4.48Å; Y116-L379 HydrophobicContact CE1-CD2 3.57Å; Y116-L379 HydrophobicContact CE1-CG 3.91Å; F154-L379 HydrophobicContact CD2-CD1 3.38Å; F154-L379 HydrophobicContact CD2-CD2 4.1Å; F154-L379 HydrophobicContact CD2-CG 4.39Å; F154-L379 HydrophobicContact CE1-CD2 4.24Å; F154-L379 HydrophobicContact CE2-CD1 3.58Å; F154-L379 HydrophobicContact CE2-CD2 3.38Å; F154-L379 HydrophobicContact CE2-CG 4.13Å; F154-L379 HydrophobicContact CG-CD1 3.92Å; F154-L379 HydrophobicContact CZ-CD1 4.24Å; F154-L379 HydrophobicContact CZ-CD2 3.45Å; F154-L379 VanDerWaalsContact CZ-CD2 3.45Å; F154-L379 HydrophobicContact CZ-CG 4.49Å; E157-L379 HydrophobicContact CB-CB 3.86Å; E157-L379 HydrophobicContact CB-CD1 4.26Å; L158-L379 HydrophobicContact CD2-CB 4.07Å; L158-L379 HydrophobicContact CD2-CD2 4.42Å; L379-T381 VanDerWaalsContact C-N 3.3Å; L379-T381 PolarHBondContact O-N 2.83Å; L379-M382 PolarHBondContact O-N 3.3Å; L379-A383 VanDerWaalsContact O-CB 3.26Å; L379-A383 WeakPolarHBondContact O-CB 3.42Å; L379-A383 PolarHBondContact O-N 3.25Å
380	I	96.8	Very high	93.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56	-47.1	175.1	-60.3	174.7	0	0	0	110	E157 F160 G161 V171 M185 G378 S384	E157-I380 HydrophobicContact CB-CG1 3.87Å; E157-I380 HydrophobicContact CG-CD1 4.2Å; E157-I380 HydrophobicContact CG-CG1 3.94Å; F160-I380 HydrophobicContact CD1-CD1 4.07Å; F160-I380 HydrophobicContact CE1-CD1 4.46Å; G161-I380 WeakPolarHBondContact CA-O 3.45Å; V171-I380 HydrophobicContact CB-CG2 4.42Å; V171-I380 HydrophobicContact CG1-CG2 3.61Å; V171-I380 HydrophobicContact CG2-CD1 4.43Å; V171-I380 HydrophobicContact CG2-CG2 3.97Å; M185-I380 HydrophobicContact CE-CD1 4.01Å; M185-I380 HydrophobicContact SD-CD1 3.99Å; G378-I380 PolarHBondContact O-N 3.22Å; I380-S384 WeakPolarHBondContact O-CB 3.25Å; I380-S384 PolarHBondContact O-N 2.84Å
381	T	95.8	Very high	93.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.2	-47.1	-179.1	-56.1	0	0	0	0	111.9	G377 G378 L379 A383 S384 Y385 T482	G377-T381 WeakPolarHBondContact O-CB 3.33Å; G377-T381 PolarHBondContact O-N 2.76Å; G377-T381 PolarHBondContact O-OG1 3.41Å; G378-T381 PolarHBondContact O-N 2.69Å; G378-T381 VanDerWaalsContact O-N 3.1Å; L379-T381 VanDerWaalsContact C-N 3.3Å; L379-T381 PolarHBondContact O-N 2.83Å; T381-A383 VanDerWaalsContact C-N 3.34Å; T381-A383 PolarHBondContact O-N 2.74Å; T381-S384 WeakPolarHBondContact O-CB 3.5Å; T381-S384 PolarHBondContact O-N 2.7Å; T381-S384 PolarHBondContact O-OG 3.36Å; T381-Y385 HydrophobicContact CG2-CE2 4.14Å; T381-Y385 WeakPolarHBondContact O-CD2 3.43Å; T381-T482 HydrophobicContact CG2-CG2 3.94Å
382	M	95.4	Very high	94	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-41.2	178.5	-63.2	-58.7	102.7	0	0	111.8	W103 F109 T112 G378 L379 S384 Y385 C475 E478	W103-M382 HydrophobicContact CH2-SD 3.99Å; W103-M382 HydrophobicContact CZ2-CB 4.27Å; W103-M382 HydrophobicContact CZ2-SD 3.87Å; W103-M382 PolarHBondContact NE1-O 3.16Å; F109-M382 HydrophobicContact CD2-CB 4.47Å; F109-M382 HydrophobicContact CE2-CB 4.18Å; T112-M382 HydrophobicContact CG2-SD 3.77Å; G378-M382 WeakPolarHBondContact O-CG 3.26Å; G378-M382 PolarHBondContact O-N 2.99Å; L379-M382 PolarHBondContact O-N 3.3Å; M382-S384 VanDerWaalsContact C-N 3.31Å; M382-S384 PolarHBondContact O-N 3.16Å; M382-Y385 PolarHBondContact O-N 2.89Å; M382-C475 HydrophobicContact CE-CB 4.48Å; M382-C475 WeakPolarHBondContact CG-SG 3.41Å; M382-C475 HydrophobicContact SD-CB 4.46Å; M382-E478 HydrophobicContact CE-CB 3.99Å; M382-E478 HydrophobicContact CE-CG 3.87Å
383	A	96.4	Very high	94.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69	-27.7	178	0	0	0	0	0	113.4	L158 Q162 L379 T381 Y385 N386	L158-A383 HydrophobicContact CB-CB 4.25Å; L158-A383 HydrophobicContact CD2-CB 3.88Å; L158-A383 WeakPolarHBondContact O-CB 3.41Å; Q162-A383 WeakPolarHBondContact CA-O 3.31Å; Q162-A383 HydrophobicContact CB-CB 4.31Å; L379-A383 VanDerWaalsContact O-CB 3.26Å; L379-A383 WeakPolarHBondContact O-CB 3.42Å; L379-A383 PolarHBondContact O-N 3.25Å; T381-A383 VanDerWaalsContact C-N 3.34Å; T381-A383 PolarHBondContact O-N 2.74Å; A383-Y385 PolarHBondContact O-N 2.9Å; A383-Y385 VanDerWaalsContact O-N 3.09Å; A383-N386 VanDerWaalsContact O-CB 3.25Å; A383-N386 WeakPolarHBondContact O-CB 3.4Å; A383-N386 PolarHBondContact O-N 3.04Å
384	S	95.5	Very high	94.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.7	178.5	79.1	0	0	0	0	114.5	R100 G161 Q166 I380 T381 M382	R100-S384 VanDerWaalsContact CD-O 3.3Å; R100-S384 WeakPolarHBondContact CD-O 3.38Å; R100-S384 PolarHBondContact NE-O 3.33Å; R100-S384 PolarHBondContact NE-OG 2.67Å; R100-S384 PolarHBondContact NH2-OG 3.34Å; G161-S384 WeakPolarHBondContact O-CA 3.48Å; Q166-S384 VanDerWaalsContact O-CB 3.26Å; Q166-S384 WeakPolarHBondContact O-CB 3.33Å; I380-S384 WeakPolarHBondContact O-CB 3.25Å; I380-S384 PolarHBondContact O-N 2.84Å; T381-S384 WeakPolarHBondContact O-CB 3.5Å; T381-S384 PolarHBondContact O-N 2.7Å; T381-S384 PolarHBondContact O-OG 3.36Å; M382-S384 VanDerWaalsContact C-N 3.31Å; M382-S384 PolarHBondContact O-N 3.16Å
385	Y	93.6	Very high	94.6	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.027	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.5	175.4	-64.2	-74.8	0	0	0	113.2	R100 N102 W103 V309 T381 M382 A383 T482 K497	R100-Y385 HydrophobicContact CG-CD1 3.82Å; R100-Y385 HydrophobicContact CG-CE1 3.58Å; R100-Y385 VanDerWaalsContact O-CE1 3.31Å; R100-Y385 WeakPolarHBondContact O-CE1 3.38Å; N102-Y385 VanDerWaalsContact CA-O 3.23Å; N102-Y385 WeakPolarHBondContact CA-O 3.23Å; N102-Y385 WeakPolarHBondContact CB-O 3.48Å; N102-Y385 PolarHBondContact ND2-O 3.27Å; W103-Y385 PolarHBondContact N-O 3.21Å; W103-Y385 VanDerWaalsContact N-O 3.17Å; V309-Y385 HydrophobicContact CG1-CD1 4.49Å; V309-Y385 HydrophobicContact CG1-CD2 3.56Å; V309-Y385 HydrophobicContact CG1-CE2 3.68Å; V309-Y385 HydrophobicContact CG1-CG 4Å; V309-Y385 HydrophobicContact CG2-CD1 3.87Å; V309-Y385 HydrophobicContact CG2-CD2 4.4Å; V309-Y385 HydrophobicContact CG2-CE1 4.15Å; V309-Y385 HydrophobicContact CG2-CG 4.01Å; T381-Y385 HydrophobicContact CG2-CE2 4.14Å; T381-Y385 WeakPolarHBondContact O-CD2 3.43Å; M382-Y385 PolarHBondContact O-N 2.89Å; A383-Y385 PolarHBondContact O-N 2.9Å; A383-Y385 VanDerWaalsContact O-N 3.09Å; Y385-T482 PolarHBondContact OH-OG1 3.24Å; Y385-T482 VanDerWaalsContact OH-OG1 3.11Å; Y385-K497 PolarHBondContact OH-NZ 2.71Å
386	N	94.7	Very high	94.9	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	11%	0.11	C	C	.	.	S	Bend	trans	-68.1	159.8	174.1	-72.5	-13.5	0	0	0	111.6	N102 W103 F109 Q162 A383 N390	N102-N386 PolarHBondContact ND2-O 2.89Å; W103-N386 PolarHBondContact NE1-OD1 3.5Å; F109-N386 VanDerWaalsContact CD2-OD1 3.28Å; F109-N386 WeakPolarHBondContact CD2-OD1 3.12Å; F109-N386 VanDerWaalsContact CE1-ND2 3.33Å; F109-N386 WeakPolarHBondContact CE1-ND2 3.12Å; F109-N386 WeakPolarHBondContact CG-OD1 3.27Å; F109-N386 VanDerWaalsContact CZ-ND2 3.3Å; F109-N386 WeakPolarHBondContact CZ-ND2 3.19Å; Q162-N386 HydrophobicContact CG-CB 3.88Å; Q162-N386 VanDerWaalsContact OE1-CB 3.32Å; Q162-N386 PolarHBondContact OE1-ND2 3.41Å; A383-N386 VanDerWaalsContact O-CB 3.25Å; A383-N386 WeakPolarHBondContact O-CB 3.4Å; A383-N386 PolarHBondContact O-N 3.04Å; N386-N390 HydrophobicContact CB-CB 4.17Å; N386-N390 PolarHBondContact ND2-ND2 2.95Å
387	K	92.1	Very high	95	Very high	81 Å²	81	26.7 Å²	26.7	35%	0.352	12%	0.12	S	C	.	.			trans	-68.8	145.2	164.8	-61.9	-169	175.7	-165.8	0	109.1	Q96 Q162 H389 N390	Q96-K387 VanDerWaalsContact OE1-CB 3.26Å; Q96-K387 VanDerWaalsContact OE1-CG 3.22Å; Q162-K387 PolarHBondContact NE2-O 3.32Å; K387-H389 VanDerWaalsContact C-N 3.32Å; K387-H389 PolarHBondContact O-N 3.01Å; K387-N390 WeakPolarHBondContact O-CB 3.31Å; K387-N390 PolarHBondContact O-N 2.97Å
388	F	92.1	Very high	95.2	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.026	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-45.2	-174.3	-174.3	-105.3	0	0	0	112.5	Q162 F163 N390 M562 M563 P656 H661	Q162-F388 PolarHBondContact NE2-O 3.43Å; F163-F388 AromaticContact CD2-CE2 3.74Å; F163-F388 HydrophobicContact CD2-CE2 3.74Å; F163-F388 AromaticContact CD2-CZ 3.94Å; F163-F388 HydrophobicContact CD2-CZ 3.94Å; F163-F388 HydrophobicContact CE2-CE2 4.17Å; F163-F388 HydrophobicContact CE2-CZ 4.06Å; F163-F388 HydrophobicContact CG-CE2 4.45Å; F388-N390 VanDerWaalsContact C-N 3.3Å; F388-N390 PolarHBondContact O-N 3.36Å; F388-M562 HydrophobicContact CE1-CG 4.13Å; F388-M562 HydrophobicContact CZ-CG 4.09Å; F388-M562 HydrophobicContact CZ-SD 4.33Å; F388-M563 HydrophobicContact CZ-CB 4.44Å; F388-M563 WeakPolarHBondContact O-CG 3.26Å; F388-P656 HydrophobicContact CD2-CB 4.39Å; F388-P656 HydrophobicContact CE2-CB 3.76Å; F388-P656 HydrophobicContact CE2-CG 3.71Å; F388-P656 HydrophobicContact CZ-CB 4.15Å; F388-P656 HydrophobicContact CZ-CG 3.73Å; F388-H661 WeakPolarHBondContact CB-CD2 3.36Å; F388-H661 VanDerWaalsContact CB-NE2 3.28Å; F388-H661 WeakPolarHBondContact CB-NE2 3.36Å; F388-H661 HydrophobicContact CD1-CB 3.96Å; F388-H661 AromaticContact CD1-CD2 3.71Å; F388-H661 AromaticContact CD1-CG 3.66Å; F388-H661 HydrophobicContact CD2-CB 4.44Å; F388-H661 AromaticContact CD2-CD2 3.92Å; F388-H661 HydrophobicContact CE1-CB 3.97Å; F388-H661 HydrophobicContact CE2-CB 4.43Å; F388-H661 HydrophobicContact CG-CB 4.21Å; F388-H661 AromaticContact CG-CD2 3.35Å; F388-H661 WeakPolarHBondContact CG-CD2 3.24Å; F388-H661 AromaticContact CG-CG 3.78Å; F388-H661 AromaticContact CG-NE2 3.9Å; F388-H661 HydrophobicContact CZ-CB 4.21Å
389	H	92.1	Very high	95.3	Very high	121 Å²	121	29.8 Å²	29.8	56%	0.56	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	20.1	177.4	-63.2	-58.5	0	0	0	115.1	K387 M562 M563	K387-H389 VanDerWaalsContact C-N 3.32Å; K387-H389 PolarHBondContact O-N 3.01Å; H389-M562 PolarHBondContact CE1-O 3.01Å; H389-M563 WeakPolarHBondContact CA-O 3.36Å; H389-M563 PolarHBondContact ND1-O 2.87Å
390	N	94.1	Very high	95.4	Very high	21 Å²	21	29.8 Å²	29.8	11%	0.112	14%	0.135	C	C	.	.			trans	-68.6	142.8	173.6	178.2	71.1	0	0	0	111.3	Q106 Q162 N386 K387 F388 C392 D395 L564	Q106-N390 PolarHBondContact NE2-OD1 3.21Å; Q162-N390 PolarHBondContact NE2-O 2.99Å; Q162-N390 PolarHBondContact OE1-ND2 3.39Å; N386-N390 HydrophobicContact CB-CB 4.17Å; N386-N390 PolarHBondContact ND2-ND2 2.95Å; K387-N390 WeakPolarHBondContact O-CB 3.31Å; K387-N390 PolarHBondContact O-N 2.97Å; F388-N390 VanDerWaalsContact C-N 3.3Å; F388-N390 PolarHBondContact O-N 3.36Å; N390-C392 VanDerWaalsContact C-N 3.28Å; N390-C392 PolarHBondContact O-N 2.91Å; N390-D395 PolarHBondContact ND2-OD2 2.85Å; N390-L564 WeakPolarHBondContact O-CD2 3.39Å
391	N	95.5	Very high	95.4	Very high	59 Å²	59	34.1 Å²	34.1	32%	0.316	16%	0.158	S	C	.	.			trans	-81.7	70	-176.6	-167.9	-17.6	0	0	0	112.4	Y393 R394 D395	N391-Y393 PolarHBondContact O-N 3.33Å; N391-Y393 VanDerWaalsContact O-N 3.16Å; N391-Y393 PolarHBondContact OD1-N 3.48Å; N391-R394 HydrophobicContact CB-CB 4.3Å; N391-R394 PolarHBondContact O-N 2.85Å; N391-R394 VanDerWaalsContact O-N 3.1Å; N391-R394 PolarHBondContact OD1-N 3.17Å; N391-D395 PolarHBondContact O-N 2.86Å; N391-D395 VanDerWaalsContact O-N 3.09Å
392	C	95.6	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-16.6	178.7	62.4	0	0	0	0	113.9	L158 N390 S396 M563	L158-C392 HydrophobicContact CB-CB 4.19Å; N390-C392 VanDerWaalsContact C-N 3.28Å; N390-C392 PolarHBondContact O-N 2.91Å; C392-S396 VanDerWaalsContact O-CB 3.29Å; C392-S396 WeakPolarHBondContact O-CB 3.16Å; C392-S396 PolarHBondContact O-N 3.43Å; C392-S396 PolarHBondContact O-OG 3.41Å; C392-M563 WeakPolarHBondContact SG-CE 3.27Å
393	Y	96.1	Very high	95.5	Very high	73 Å²	73	36.2 Å²	36.2	29%	0.286	17%	0.171	S	C	.	.	H	α-helix	trans	-64.1	-53.9	168.2	166	-116.8	0	0	0	110.6	F155 N391 D395 S396 V397 F566 P569 F572	F155-Y393 HydrophobicContact CD1-CD2 4.34Å; F155-Y393 HydrophobicContact CE1-CD2 4.1Å; F155-Y393 VanDerWaalsContact CE2-CA 3.47Å; F155-Y393 HydrophobicContact CZ-CD2 4.25Å; F155-Y393 HydrophobicContact CZ-CG 4.4Å; N391-Y393 PolarHBondContact O-N 3.33Å; N391-Y393 VanDerWaalsContact O-N 3.16Å; N391-Y393 PolarHBondContact OD1-N 3.48Å; Y393-D395 VanDerWaalsContact C-N 3.31Å; Y393-D395 PolarHBondContact O-N 3.12Å; Y393-S396 PolarHBondContact O-N 3.03Å; Y393-S396 PolarHBondContact O-OG 2.79Å; Y393-V397 HydrophobicContact CD2-CG2 4.48Å; Y393-V397 HydrophobicContact CE2-CG2 4Å; Y393-V397 PolarHBondContact O-N 3.43Å; Y393-F566 HydrophobicContact CD1-CE2 4.15Å; Y393-F566 HydrophobicContact CD1-CZ 4.02Å; Y393-P569 HydrophobicContact CE2-CG 4.36Å; Y393-F572 HydrophobicContact CD2-CE2 4.21Å; Y393-F572 HydrophobicContact CD2-CZ 4.34Å; Y393-F572 HydrophobicContact CE2-CD2 4.31Å; Y393-F572 AromaticContact CE2-CE2 3.48Å; Y393-F572 HydrophobicContact CE2-CE2 3.48Å; Y393-F572 VanDerWaalsContact CE2-CE2 3.48Å; Y393-F572 AromaticContact CE2-CZ 3.8Å; Y393-F572 HydrophobicContact CE2-CZ 3.8Å
394	R	95.9	Very high	95.4	Very high	143 Å²	143	36.5 Å²	36.5	54%	0.54	17%	0.172	S	C	.	.	H	α-helix	trans	-58	-46.3	175.3	178	-174.4	175.2	-157.3	-2.2	111.1	N391 S396 V397 I398	N391-R394 HydrophobicContact CB-CB 4.3Å; N391-R394 PolarHBondContact O-N 2.85Å; N391-R394 VanDerWaalsContact O-N 3.1Å; N391-R394 PolarHBondContact OD1-N 3.17Å; R394-S396 PolarHBondContact O-N 2.92Å; R394-V397 PolarHBondContact O-N 3.42Å; R394-I398 HydrophobicContact CG-CD1 3.71Å; R394-I398 HydrophobicContact CG-CG1 4.44Å; R394-I398 WeakPolarHBondContact O-CG1 3.45Å; R394-I398 PolarHBondContact O-N 3.49Å; R394-I398 VanDerWaalsContact O-N 3.1Å
395	D	96.5	Very high	95.5	Very high	3 Å²	3	39 Å²	39	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-44	-176.8	-58.1	-28.6	0	0	0	111.1	Q106 F109 N390 N391 Y393 V397 I398 I399	Q106-D395 PolarHBondContact NE2-OD1 3.22Å; Q106-D395 PolarHBondContact NE2-OD2 3.3Å; F109-D395 HydrophobicContact CE1-CB 3.84Å; F109-D395 WeakPolarHBondContact CE1-OD2 3.44Å; N390-D395 PolarHBondContact ND2-OD2 2.85Å; N391-D395 PolarHBondContact O-N 2.86Å; N391-D395 VanDerWaalsContact O-N 3.09Å; Y393-D395 VanDerWaalsContact C-N 3.31Å; Y393-D395 PolarHBondContact O-N 3.12Å; D395-V397 VanDerWaalsContact C-N 3.33Å; D395-V397 PolarHBondContact O-N 3.02Å; D395-I398 PolarHBondContact O-N 2.84Å; D395-I399 HydrophobicContact CB-CD1 4.12Å; D395-I399 WeakPolarHBondContact O-CB 3.24Å; D395-I399 VanDerWaalsContact O-CD1 3.29Å; D395-I399 WeakPolarHBondContact O-CD1 3.3Å; D395-I399 WeakPolarHBondContact O-CG1 3.33Å; D395-I399 PolarHBondContact O-N 3.47Å
396	S	96.6	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-41.9	179.8	63.8	0	0	0	0	113.2	F155 C392 Y393 R394 S400	F155-S396 WeakPolarHBondContact CB-OG 3.43Å; C392-S396 VanDerWaalsContact O-CB 3.29Å; C392-S396 WeakPolarHBondContact O-CB 3.16Å; C392-S396 PolarHBondContact O-N 3.43Å; C392-S396 PolarHBondContact O-OG 3.41Å; Y393-S396 PolarHBondContact O-N 3.03Å; Y393-S396 PolarHBondContact O-OG 2.79Å; R394-S396 PolarHBondContact O-N 2.92Å; S396-S400 VanDerWaalsContact O-CB 3.25Å; S396-S400 WeakPolarHBondContact O-CB 3.28Å; S396-S400 PolarHBondContact O-N 2.65Å; S396-S400 VanDerWaalsContact O-N 3.16Å; S396-S400 PolarHBondContact O-OG 3.35Å
397	V	96.9	Very high	95.6	Very high	38 Å²	38	38.8 Å²	38.8	23%	0.23	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-47.4	177.6	176	0	0	0	0	111	I151 Y393 R394 D395 I401	I151-V397 HydrophobicContact CG2-CG2 4.14Å; Y393-V397 HydrophobicContact CD2-CG2 4.48Å; Y393-V397 HydrophobicContact CE2-CG2 4Å; Y393-V397 PolarHBondContact O-N 3.43Å; R394-V397 PolarHBondContact O-N 3.42Å; D395-V397 VanDerWaalsContact C-N 3.33Å; D395-V397 PolarHBondContact O-N 3.02Å; V397-I401 HydrophobicContact CG1-CD1 3.66Å; V397-I401 HydrophobicContact CG1-CG1 4.48Å; V397-I401 WeakPolarHBondContact O-CB 3.12Å; V397-I401 VanDerWaalsContact O-CG1 3.28Å; V397-I401 WeakPolarHBondContact O-CG1 3.28Å; V397-I401 PolarHBondContact O-N 3.46Å
398	I	97.1	Very high	95.8	Very high	64 Å²	64	36.2 Å²	36.2	33%	0.328	18%	0.184	S	C	.	.	H	α-helix	trans	-61.5	-51.7	-179.8	-68.9	175.2	0	0	0	110.7	R394 D395 S400 I401 T402	R394-I398 HydrophobicContact CG-CD1 3.71Å; R394-I398 HydrophobicContact CG-CG1 4.44Å; R394-I398 WeakPolarHBondContact O-CG1 3.45Å; R394-I398 PolarHBondContact O-N 3.49Å; R394-I398 VanDerWaalsContact O-N 3.1Å; D395-I398 PolarHBondContact O-N 2.84Å; I398-S400 VanDerWaalsContact C-N 3.35Å; I398-S400 PolarHBondContact O-N 3.23Å; I398-I401 PolarHBondContact O-N 2.98Å; I398-T402 WeakPolarHBondContact O-CB 3.35Å; I398-T402 PolarHBondContact O-N 3.17Å; I398-T402 PolarHBondContact O-OG1 2.94Å
399	I	97.5	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-44	-176.3	-61.9	155.6	0	0	0	110.7	F109 V110 S113 V114 F154 L158 D395 T402 N403	F109-I399 HydrophobicContact CE1-CD1 4.48Å; V110-I399 HydrophobicContact CG1-CG1 4.2Å; S113-I399 VanDerWaalsContact CB-CD1 3.45Å; V114-I399 HydrophobicContact CG2-CB 4.41Å; V114-I399 HydrophobicContact CG2-CG1 4.21Å; V114-I399 HydrophobicContact CG2-CG2 4.08Å; F154-I399 HydrophobicContact CE1-CB 3.96Å; F154-I399 HydrophobicContact CE1-CD1 4.05Å; F154-I399 HydrophobicContact CE1-CG2 3.96Å; F154-I399 HydrophobicContact CE2-CG2 4.35Å; F154-I399 HydrophobicContact CZ-CB 4.01Å; F154-I399 HydrophobicContact CZ-CD1 4.45Å; F154-I399 HydrophobicContact CZ-CG2 3.47Å; F154-I399 VanDerWaalsContact CZ-CG2 3.47Å; L158-I399 HydrophobicContact CD1-CD1 4.43Å; D395-I399 HydrophobicContact CB-CD1 4.12Å; D395-I399 WeakPolarHBondContact O-CB 3.24Å; D395-I399 VanDerWaalsContact O-CD1 3.29Å; D395-I399 WeakPolarHBondContact O-CD1 3.3Å; D395-I399 WeakPolarHBondContact O-CG1 3.33Å; D395-I399 PolarHBondContact O-N 3.47Å; I399-T402 PolarHBondContact O-N 2.97Å; I399-N403 WeakPolarHBondContact O-CB 3.27Å; I399-N403 PolarHBondContact O-N 2.89Å
400	S	96.8	Very high	96.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-41.1	-179.7	-58.4	0	0	0	0	112.8	S396 I398 C404	S396-S400 VanDerWaalsContact O-CB 3.25Å; S396-S400 WeakPolarHBondContact O-CB 3.28Å; S396-S400 PolarHBondContact O-N 2.65Å; S396-S400 VanDerWaalsContact O-N 3.16Å; S396-S400 PolarHBondContact O-OG 3.35Å; I398-S400 VanDerWaalsContact C-N 3.35Å; I398-S400 PolarHBondContact O-N 3.23Å; S400-C404 WeakPolarHBondContact O-CB 3.46Å; S400-C404 PolarHBondContact O-N 2.92Å; S400-C404 VanDerWaalsContact O-N 3.08Å
401	I	96.5	Very high	96.1	Very high	92 Å²	92	32 Å²	32	47%	0.472	16%	0.162	S	C	.	.	H	α-helix	trans	-67.7	-44	175.8	-69.3	173	0	0	0	110.4	V397 I398 N403 C404 A405	V397-I401 HydrophobicContact CG1-CD1 3.66Å; V397-I401 HydrophobicContact CG1-CG1 4.48Å; V397-I401 WeakPolarHBondContact O-CB 3.12Å; V397-I401 VanDerWaalsContact O-CG1 3.28Å; V397-I401 WeakPolarHBondContact O-CG1 3.28Å; V397-I401 PolarHBondContact O-N 3.46Å; I398-I401 PolarHBondContact O-N 2.98Å; I401-N403 VanDerWaalsContact C-N 3.34Å; I401-N403 PolarHBondContact O-N 3.28Å; I401-C404 PolarHBondContact O-N 2.88Å; I401-A405 VanDerWaalsContact O-CB 3.3Å; I401-A405 WeakPolarHBondContact O-CB 3.26Å; I401-A405 PolarHBondContact O-N 3.04Å
402	T	96.9	Very high	96.1	Very high	45 Å²	45	31.9 Å²	31.9	28%	0.276	16%	0.159	S	C	.	.	H	α-helix	trans	-58.3	-46.1	175.7	-62.6	0	0	0	0	111.1	V114 I398 I399 C404 A405 T406	V114-T402 HydrophobicContact CG1-CG2 3.86Å; V114-T402 HydrophobicContact CG2-CG2 4.05Å; I398-T402 WeakPolarHBondContact O-CB 3.35Å; I398-T402 PolarHBondContact O-N 3.17Å; I398-T402 PolarHBondContact O-OG1 2.94Å; I399-T402 PolarHBondContact O-N 2.97Å; T402-C404 PolarHBondContact O-N 3.43Å; T402-A405 PolarHBondContact O-N 2.86Å; T402-T406 WeakPolarHBondContact O-CB 3.38Å; T402-T406 PolarHBondContact O-N 3.05Å; T402-T406 PolarHBondContact O-OG1 3.21Å
403	N	96.6	Very high	96	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.6	-50.8	176.2	175	55.5	0	0	0	112.3	A117 V118 N122 S371 L372 I399 I401 T406 S407	A117-N403 HydrophobicContact CB-CB 3.98Å; A117-N403 PolarHBondContact O-OD1 2.93Å; A117-N403 VanDerWaalsContact O-OD1 3.11Å; V118-N403 HydrophobicContact CG2-CB 4.21Å; N122-N403 PolarHBondContact ND2-O 3.49Å; N122-N403 PolarHBondContact ND2-OD1 3.2Å; S371-N403 PolarHBondContact O-ND2 2.86Å; S371-N403 PolarHBondContact OG-ND2 3.22Å; S371-N403 PolarHBondContact OG-OD1 3.11Å; S371-N403 VanDerWaalsContact OG-OD1 3.11Å; L372-N403 HydrophobicContact CD2-CB 4.19Å; L372-N403 WeakPolarHBondContact CD2-ND2 3.29Å; I399-N403 WeakPolarHBondContact O-CB 3.27Å; I399-N403 PolarHBondContact O-N 2.89Å; I401-N403 VanDerWaalsContact C-N 3.34Å; I401-N403 PolarHBondContact O-N 3.28Å; N403-T406 PolarHBondContact O-N 3.46Å; N403-S407 PolarHBondContact O-N 3.5Å; N403-S407 VanDerWaalsContact O-N 3.11Å; N403-S407 PolarHBondContact O-OG 3.5Å
404	C	95.3	Very high	95.8	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-46	178.4	-178.5	0	0	0	0	112.8	Y142 F143 L146 S400 I401 T402 T406 S407 V408	Y142-C404 WeakPolarHBondContact CE1-SG 3.32Å; F143-C404 VanDerWaalsContact CE1-SG 3.52Å; L146-C404 HydrophobicContact CD2-CB 3.62Å; L146-C404 VanDerWaalsContact CD2-SG 3.59Å; S400-C404 WeakPolarHBondContact O-CB 3.46Å; S400-C404 PolarHBondContact O-N 2.92Å; S400-C404 VanDerWaalsContact O-N 3.08Å; I401-C404 PolarHBondContact O-N 2.88Å; T402-C404 PolarHBondContact O-N 3.43Å; C404-T406 VanDerWaalsContact C-N 3.27Å; C404-T406 PolarHBondContact O-N 3.15Å; C404-S407 WeakPolarHBondContact O-CB 3.37Å; C404-S407 PolarHBondContact O-N 2.93Å; C404-V408 PolarHBondContact O-N 2.97Å; C404-V408 VanDerWaalsContact O-N 3.13Å
405	A	96.3	Very high	95.6	Very high	54 Å²	54	21.9 Å²	21.9	45%	0.446	12%	0.121	S	C	.	.	H	α-helix	trans	-62.2	-37.2	178.6	0	0	0	0	0	111.4	I401 T402 V408 Y409	I401-A405 VanDerWaalsContact O-CB 3.3Å; I401-A405 WeakPolarHBondContact O-CB 3.26Å; I401-A405 PolarHBondContact O-N 3.04Å; T402-A405 PolarHBondContact O-N 2.86Å; A405-V408 PolarHBondContact O-N 2.94Å; A405-Y409 VanDerWaalsContact O-CB 3.27Å; A405-Y409 WeakPolarHBondContact O-CB 3.36Å; A405-Y409 PolarHBondContact O-N 3.3Å
406	T	96.3	Very high	95.5	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.049	12%	0.12	C	C	.	.	H	α-helix	trans	-67.9	-39	177.8	-50.1	0	0	0	0	112.1	V118 Y324 L327 T402 N403 C404 Y409 A410	V118-T406 HydrophobicContact CG1-CG2 3.57Å; V118-T406 HydrophobicContact CG2-CG2 4.47Å; Y324-T406 HydrophobicContact CE1-CG2 3.66Å; Y324-T406 VanDerWaalsContact CE1-OG1 3.27Å; Y324-T406 WeakPolarHBondContact CE1-OG1 3.27Å; Y324-T406 PolarHBondContact OH-OG1 3.38Å; L327-T406 HydrophobicContact CD1-CG2 4.26Å; T402-T406 WeakPolarHBondContact O-CB 3.38Å; T402-T406 PolarHBondContact O-N 3.05Å; T402-T406 PolarHBondContact O-OG1 3.21Å; N403-T406 PolarHBondContact O-N 3.46Å; C404-T406 VanDerWaalsContact C-N 3.27Å; C404-T406 PolarHBondContact O-N 3.15Å; T406-Y409 PolarHBondContact O-N 2.64Å; T406-A410 VanDerWaalsContact O-CB 3.25Å; T406-A410 WeakPolarHBondContact O-CB 3.38Å; T406-A410 PolarHBondContact O-N 3.18Å
407	S	95.5	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-48	171.7	-59.4	0	0	0	0	112	N122 F126 N403 C404 G411	N122-S407 PolarHBondContact ND2-OG 3.08Å; F126-S407 VanDerWaalsContact CD1-O 3.23Å; F126-S407 WeakPolarHBondContact CD1-O 3.4Å; N403-S407 PolarHBondContact O-N 3.5Å; N403-S407 VanDerWaalsContact O-N 3.11Å; N403-S407 PolarHBondContact O-OG 3.5Å; C404-S407 WeakPolarHBondContact O-CB 3.37Å; C404-S407 PolarHBondContact O-N 2.93Å; S407-G411 PolarHBondContact O-N 3.18Å
408	V	95.7	Very high	94.8	Very high	27 Å²	27	20.4 Å²	20.4	16%	0.164	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-42.6	179.1	174.5	0	0	0	0	111.2	F126 M139 F143 Y347 C404 A405 G411 F412	F126-V408 HydrophobicContact CE1-CG2 4.11Å; F126-V408 HydrophobicContact CZ-CG2 3.96Å; M139-V408 HydrophobicContact CE-CG1 4.43Å; F143-V408 HydrophobicContact CZ-CG2 4.47Å; Y347-V408 WeakPolarHBondContact OH-CA 3.21Å; Y347-V408 PolarHBondContact OH-O 3.3Å; C404-V408 PolarHBondContact O-N 2.97Å; C404-V408 VanDerWaalsContact O-N 3.13Å; A405-V408 PolarHBondContact O-N 2.94Å; V408-G411 PolarHBondContact O-N 2.94Å; V408-F412 HydrophobicContact CG1-CD2 4.38Å; V408-F412 HydrophobicContact CG1-CE2 4Å; V408-F412 VanDerWaalsContact O-CD2 3.29Å; V408-F412 WeakPolarHBondContact O-CD2 3.37Å; V408-F412 PolarHBondContact O-N 3.13Å
409	Y	96.6	Very high	94.5	Very high	60 Å²	60	17.4 Å²	17.4	24%	0.235	10%	0.096	C	C	.	.	H	α-helix	trans	-66.5	-44.7	178.8	-177	-124.4	0	0	0	112.7	L327 T328 F331 A405 T406 G411 F412 V413	L327-Y409 HydrophobicContact CB-CD1 4.3Å; L327-Y409 HydrophobicContact CB-CE1 3.84Å; L327-Y409 HydrophobicContact CD1-CD1 4.4Å; T328-Y409 VanDerWaalsContact CA-OH 3.27Å; T328-Y409 WeakPolarHBondContact CA-OH 3.34Å; T328-Y409 PolarHBondContact OG1-OH 3.25Å; F331-Y409 HydrophobicContact CB-CE2 4.4Å; F331-Y409 HydrophobicContact CD1-CE2 4.36Å; F331-Y409 HydrophobicContact CD2-CE2 4.3Å; F331-Y409 HydrophobicContact CG-CE2 4.09Å; A405-Y409 VanDerWaalsContact O-CB 3.27Å; A405-Y409 WeakPolarHBondContact O-CB 3.36Å; A405-Y409 PolarHBondContact O-N 3.3Å; T406-Y409 PolarHBondContact O-N 2.64Å; Y409-G411 PolarHBondContact O-N 3.03Å; Y409-F412 WeakPolarHBondContact O-CB 3.23Å; Y409-F412 PolarHBondContact O-N 3.18Å; Y409-F412 VanDerWaalsContact O-N 3.07Å; Y409-V413 PolarHBondContact O-N 3.26Å
410	A	94.5	Very high	94.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.2	-40.2	172.7	0	0	0	0	0	110.7	V123 L327 T406 F412 V413 I414	V123-A410 HydrophobicContact CG2-CB 4.34Å; L327-A410 HydrophobicContact CD2-CB 4.35Å; T406-A410 VanDerWaalsContact O-CB 3.25Å; T406-A410 WeakPolarHBondContact O-CB 3.38Å; T406-A410 PolarHBondContact O-N 3.18Å; A410-F412 VanDerWaalsContact C-N 3.32Å; A410-F412 PolarHBondContact O-N 3.09Å; A410-V413 WeakPolarHBondContact O-CB 3.18Å; A410-V413 PolarHBondContact O-N 2.99Å; A410-V413 VanDerWaalsContact O-N 3.11Å; A410-I414 WeakPolarHBondContact O-CB 3.45Å; A410-I414 VanDerWaalsContact O-CG1 3.26Å; A410-I414 WeakPolarHBondContact O-CG1 3.21Å; A410-I414 PolarHBondContact O-N 2.92Å
411	G	93.8	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-52	-45.3	171.4	0	0	0	0	0	113.7	S407 V408 Y409 I414 F415	S407-G411 PolarHBondContact O-N 3.18Å; V408-G411 PolarHBondContact O-N 2.94Å; Y409-G411 PolarHBondContact O-N 3.03Å; G411-I414 PolarHBondContact O-N 2.95Å; G411-F415 WeakPolarHBondContact O-CB 3.49Å; G411-F415 WeakPolarHBondContact O-CD2 3.33Å; G411-F415 PolarHBondContact O-N 3.25Å
412	F	95	Very high	93.2	Very high	56 Å²	56	14.5 Å²	14.5	25%	0.246	8%	0.081	C	C	.	.	H	α-helix	trans	-62	-45	174.6	-79	-81.5	0	0	0	113.1	F331 I344 Y347 L348 V408 Y409 A410 S416	F331-F412 HydrophobicContact CD2-CB 4.25Å; F331-F412 HydrophobicContact CE2-CB 3.99Å; I344-F412 HydrophobicContact CG2-CD1 4.03Å; I344-F412 HydrophobicContact CG2-CE1 3.92Å; Y347-F412 HydrophobicContact CE1-CD1 4.4Å; Y347-F412 AromaticContact CE1-CD2 3.92Å; Y347-F412 HydrophobicContact CE1-CD2 3.92Å; Y347-F412 HydrophobicContact CE1-CE2 4.04Å; Y347-F412 HydrophobicContact CE1-CG 4.11Å; Y347-F412 HydrophobicContact CE1-CZ 4.36Å; L348-F412 HydrophobicContact CD1-CE1 3.78Å; L348-F412 HydrophobicContact CD1-CZ 3.89Å; L348-F412 HydrophobicContact CD2-CE1 4.43Å; L348-F412 HydrophobicContact CD2-CZ 3.99Å; L348-F412 HydrophobicContact CG-CE1 4.36Å; L348-F412 HydrophobicContact CG-CZ 4.38Å; V408-F412 HydrophobicContact CG1-CD2 4.38Å; V408-F412 HydrophobicContact CG1-CE2 4Å; V408-F412 VanDerWaalsContact O-CD2 3.29Å; V408-F412 WeakPolarHBondContact O-CD2 3.37Å; V408-F412 PolarHBondContact O-N 3.13Å; Y409-F412 WeakPolarHBondContact O-CB 3.23Å; Y409-F412 PolarHBondContact O-N 3.18Å; Y409-F412 VanDerWaalsContact O-N 3.07Å; A410-F412 VanDerWaalsContact C-N 3.32Å; A410-F412 PolarHBondContact O-N 3.09Å; F412-S416 WeakPolarHBondContact O-CB 3.47Å; F412-S416 PolarHBondContact O-N 3.16Å; F412-S416 PolarHBondContact O-OG 3.29Å
413	V	94.3	Very high	92.7	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-56.6	-54.9	176.5	179.4	0	0	0	0	110.1	L327 L330 F331 Y409 A410 S416 I417	L327-V413 HydrophobicContact CB-CG2 4.34Å; L327-V413 HydrophobicContact CD2-CB 4.39Å; L327-V413 HydrophobicContact CD2-CG1 4.37Å; L327-V413 HydrophobicContact CD2-CG2 4.11Å; L327-V413 WeakPolarHBondContact O-CG2 3.44Å; L330-V413 HydrophobicContact CB-CG1 3.53Å; F331-V413 HydrophobicContact CB-CG2 3.86Å; F331-V413 HydrophobicContact CD2-CG2 4.39Å; Y409-V413 PolarHBondContact O-N 3.26Å; A410-V413 WeakPolarHBondContact O-CB 3.18Å; A410-V413 PolarHBondContact O-N 2.99Å; A410-V413 VanDerWaalsContact O-N 3.11Å; V413-S416 PolarHBondContact O-N 3.08Å; V413-S416 PolarHBondContact O-OG 3.37Å; V413-I417 HydrophobicContact CG1-CD1 4.45Å; V413-I417 PolarHBondContact O-N 2.7Å
414	I	91.2	Very high	92	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-56.2	-54.4	-178.8	-73.8	-28.7	0	0	0	111.7	V123 P127 A410 G411 S416 I417 L418 Y444	V123-I414 HydrophobicContact CG1-CD1 4Å; V123-I414 HydrophobicContact CG1-CG1 4.39Å; V123-I414 WeakPolarHBondContact O-CG1 3.42Å; P127-I414 HydrophobicContact CB-CB 4.49Å; P127-I414 HydrophobicContact CB-CG2 3.96Å; P127-I414 HydrophobicContact CG-CB 4.49Å; P127-I414 HydrophobicContact CG-CG1 4.36Å; P127-I414 HydrophobicContact CG-CG2 4.42Å; A410-I414 WeakPolarHBondContact O-CB 3.45Å; A410-I414 VanDerWaalsContact O-CG1 3.26Å; A410-I414 WeakPolarHBondContact O-CG1 3.21Å; A410-I414 PolarHBondContact O-N 2.92Å; G411-I414 PolarHBondContact O-N 2.95Å; I414-S416 VanDerWaalsContact C-N 3.34Å; I414-S416 PolarHBondContact O-N 2.89Å; I414-I417 PolarHBondContact O-N 2.94Å; I414-L418 HydrophobicContact CG2-CD1 3.85Å; I414-L418 HydrophobicContact CG2-CG 4.43Å; I414-L418 WeakPolarHBondContact O-CG 3.23Å; I414-L418 PolarHBondContact O-N 2.95Å; I414-Y444 HydrophobicContact CB-CE1 4.29Å; I414-Y444 HydrophobicContact CD1-CD1 4.29Å; I414-Y444 HydrophobicContact CD1-CD2 4.48Å; I414-Y444 HydrophobicContact CD1-CE1 3.65Å; I414-Y444 HydrophobicContact CD1-CE2 3.84Å; I414-Y444 WeakPolarHBondContact CD1-OH 3.33Å; I414-Y444 HydrophobicContact CG1-CE1 4.13Å; I414-Y444 HydrophobicContact CG1-CE2 4.46Å; I414-Y444 VanDerWaalsContact CG1-OH 3.24Å; I414-Y444 WeakPolarHBondContact CG1-OH 3.39Å; I414-Y444 HydrophobicContact CG2-CE1 3.79Å; I414-Y444 WeakPolarHBondContact CG2-OH 3.41Å
415	F	91.8	Very high	91.1	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-72.5	-26.8	-174.4	-84.5	-72	0	0	0	113.6	P127 Y131 G343 Y346 Y347 G411 I417 L418 G419 V429	P127-F415 HydrophobicContact CB-CD2 4.26Å; P127-F415 HydrophobicContact CB-CE2 3.73Å; Y131-F415 HydrophobicContact CD1-CE1 4.42Å; Y131-F415 AromaticContact CD1-CZ 3.69Å; Y131-F415 HydrophobicContact CD1-CZ 3.69Å; Y131-F415 HydrophobicContact CG-CZ 4.1Å; G343-F415 WeakPolarHBondContact CA-O 3.44Å; Y346-F415 HydrophobicContact CD1-CD1 4.36Å; Y346-F415 AromaticContact CD1-CE1 3.8Å; Y346-F415 HydrophobicContact CD1-CE1 3.8Å; Y346-F415 HydrophobicContact CE1-CE1 4.27Å; Y347-F415 HydrophobicContact CD1-CD2 4.25Å; Y347-F415 AromaticContact CD2-CD2 3.58Å; Y347-F415 HydrophobicContact CD2-CD2 3.58Å; Y347-F415 AromaticContact CD2-CE2 3.63Å; Y347-F415 HydrophobicContact CD2-CE2 3.63Å; Y347-F415 HydrophobicContact CE2-CD2 4.33Å; Y347-F415 HydrophobicContact CE2-CE2 4.38Å; Y347-F415 HydrophobicContact CG-CB 4.39Å; Y347-F415 AromaticContact CG-CD2 3.53Å; Y347-F415 HydrophobicContact CG-CD2 3.53Å; Y347-F415 HydrophobicContact CG-CE2 4.03Å; Y347-F415 HydrophobicContact CG-CG 4.09Å; G411-F415 WeakPolarHBondContact O-CB 3.49Å; G411-F415 WeakPolarHBondContact O-CD2 3.33Å; G411-F415 PolarHBondContact O-N 3.25Å; F415-I417 VanDerWaalsContact C-N 3.32Å; F415-I417 PolarHBondContact O-N 3.08Å; F415-L418 HydrophobicContact CD1-CD1 4.3Å; F415-L418 HydrophobicContact CE1-CD1 4.25Å; F415-G419 PolarHBondContact O-N 3.44Å; F415-V429 HydrophobicContact CD1-CG1 4.16Å; F415-V429 HydrophobicContact CE1-CG1 4.12Å
416	S	94.3	Very high	90.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-40.8	171.1	72	0	0	0	0	112	G334 A340 F412 V413 I414 F420	G334-S416 WeakPolarHBondContact CA-OG 3.38Å; A340-S416 WeakPolarHBondContact CA-O 3.38Å; A340-S416 WeakPolarHBondContact CB-O 3.18Å; F412-S416 WeakPolarHBondContact O-CB 3.47Å; F412-S416 PolarHBondContact O-N 3.16Å; F412-S416 PolarHBondContact O-OG 3.29Å; V413-S416 PolarHBondContact O-N 3.08Å; V413-S416 PolarHBondContact O-OG 3.37Å; I414-S416 VanDerWaalsContact C-N 3.34Å; I414-S416 PolarHBondContact O-N 2.89Å; S416-F420 PolarHBondContact O-N 3.38Å
417	I	90.8	Very high	89.5	Confident	9 Å²	9	26 Å²	26	5%	0.046	15%	0.152	C	C	.	.	H	α-helix	trans	-75.2	-43.1	179	-65.4	172	0	0	0	111.3	L330 V413 I414 F415 G419 F420 M421 A447	L330-I417 HydrophobicContact CD2-CD1 4.45Å; V413-I417 HydrophobicContact CG1-CD1 4.45Å; V413-I417 PolarHBondContact O-N 2.7Å; I414-I417 PolarHBondContact O-N 2.94Å; F415-I417 VanDerWaalsContact C-N 3.32Å; F415-I417 PolarHBondContact O-N 3.08Å; I417-G419 VanDerWaalsContact C-N 3.31Å; I417-G419 PolarHBondContact O-N 2.88Å; I417-F420 PolarHBondContact O-N 2.9Å; I417-M421 PolarHBondContact O-N 2.96Å; I417-M421 VanDerWaalsContact O-N 3.1Å; I417-A447 HydrophobicContact CG2-CB 3.56Å
418	L	88.4	Confident	88.9	Confident	2 Å²	2	31 Å²	31	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-35.8	175.6	-65.9	178.8	0	0	0	112.2	I414 F415 M421 A422 V429 A433 L439 Y444	I414-L418 HydrophobicContact CG2-CD1 3.85Å; I414-L418 HydrophobicContact CG2-CG 4.43Å; I414-L418 WeakPolarHBondContact O-CG 3.23Å; I414-L418 PolarHBondContact O-N 2.95Å; F415-L418 HydrophobicContact CD1-CD1 4.3Å; F415-L418 HydrophobicContact CE1-CD1 4.25Å; L418-M421 HydrophobicContact CD2-CE 3.5Å; L418-M421 VanDerWaalsContact CD2-CE 3.5Å; L418-M421 PolarHBondContact O-N 3.48Å; L418-A422 VanDerWaalsContact O-CB 3.29Å; L418-A422 WeakPolarHBondContact O-CB 3.4Å; L418-A422 PolarHBondContact O-N 3.26Å; L418-V429 HydrophobicContact CB-CG1 4.44Å; L418-A433 HydrophobicContact CD1-CB 4.32Å; L418-L439 HydrophobicContact CD1-CD1 4.27Å; L418-Y444 HydrophobicContact CD1-CE1 4.32Å; L418-Y444 HydrophobicContact CD2-CD1 4.25Å; L418-Y444 HydrophobicContact CD2-CE1 4.12Å; L418-Y444 HydrophobicContact CG-CE1 4.21Å
419	G	90.9	Very high	88.3	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-42.7	175.6	0	0	0	0	0	113.1	G339 F415 I417 S423	G339-G419 CarbonylContact O-C 3.38Å; G339-G419 VanDerWaalsContact O-C 3.31Å; F415-G419 PolarHBondContact O-N 3.44Å; I417-G419 VanDerWaalsContact C-N 3.31Å; I417-G419 PolarHBondContact O-N 2.88Å; G419-S423 WeakPolarHBondContact O-CB 3.42Å; G419-S423 PolarHBondContact O-N 3.2Å
420	F	89.7	Confident	87.6	Confident	26 Å²	26	29.8 Å²	29.8	11%	0.114	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-49.3	172.1	161.6	-113.6	0	0	0	112	L337 E338 S416 I417 A422 S423 H424 L450 L451	L337-F420 HydrophobicContact CB-CB 3.73Å; L337-F420 HydrophobicContact CB-CD1 4.42Å; L337-F420 HydrophobicContact CB-CD2 3.84Å; L337-F420 HydrophobicContact CB-CG 3.74Å; L337-F420 HydrophobicContact CD1-CB 3.96Å; L337-F420 HydrophobicContact CD1-CD1 3.67Å; L337-F420 HydrophobicContact CD1-CE1 4.27Å; L337-F420 HydrophobicContact CD1-CG 3.82Å; L337-F420 HydrophobicContact CD2-CD1 4.27Å; L337-F420 HydrophobicContact CD2-CD2 4.25Å; L337-F420 HydrophobicContact CD2-CE1 4.2Å; L337-F420 HydrophobicContact CD2-CE2 4.21Å; L337-F420 HydrophobicContact CD2-CG 4.27Å; L337-F420 HydrophobicContact CD2-CZ 4.18Å; L337-F420 HydrophobicContact CG-CB 4.4Å; L337-F420 HydrophobicContact CG-CD1 4.33Å; L337-F420 HydrophobicContact CG-CD2 4.43Å; L337-F420 HydrophobicContact CG-CG 4.14Å; E338-F420 WeakPolarHBondContact O-CA 3.28Å; E338-F420 WeakPolarHBondContact O-CD2 3.39Å; S416-F420 PolarHBondContact O-N 3.38Å; I417-F420 PolarHBondContact O-N 2.9Å; F420-A422 PolarHBondContact O-N 3.41Å; F420-S423 PolarHBondContact O-N 3.08Å; F420-H424 WeakPolarHBondContact O-CB 3.32Å; F420-H424 PolarHBondContact O-N 3.1Å; F420-L450 HydrophobicContact CE1-CB 3.63Å; F420-L450 HydrophobicContact CE1-CD1 4.23Å; F420-L450 HydrophobicContact CZ-CB 4.04Å; F420-L451 HydrophobicContact CE1-CD2 4.14Å
421	M	87.1	Confident	86.8	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-45.5	178.2	175.8	172.4	52.6	0	0	112	I417 L418 S423 H424 L425 V432 E446 A447 L450	I417-M421 PolarHBondContact O-N 2.96Å; I417-M421 VanDerWaalsContact O-N 3.1Å; L418-M421 HydrophobicContact CD2-CE 3.5Å; L418-M421 VanDerWaalsContact CD2-CE 3.5Å; L418-M421 PolarHBondContact O-N 3.48Å; M421-S423 PolarHBondContact O-N 3.25Å; M421-H424 PolarHBondContact O-N 3.12Å; M421-L425 HydrophobicContact CG-CD1 3.9Å; M421-L425 WeakPolarHBondContact O-CB 3.44Å; M421-L425 PolarHBondContact O-N 3.45Å; M421-V432 HydrophobicContact CE-CB 3.71Å; M421-V432 HydrophobicContact CE-CG1 4.42Å; M421-V432 HydrophobicContact CE-CG2 3.93Å; M421-E446 HydrophobicContact SD-CB 4.21Å; M421-E446 HydrophobicContact SD-CG 4.02Å; M421-A447 HydrophobicContact CB-CB 4.19Å; M421-A447 HydrophobicContact CE-CB 3.86Å; M421-A447 HydrophobicContact SD-CB 3.81Å; M421-L450 HydrophobicContact CB-CD1 4.11Å; M421-L450 HydrophobicContact CG-CD1 4.01Å
422	A	86.4	Confident	86	Confident	2 Å²	2	40 Å²	40	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-45.4	176.3	0	0	0	0	0	111.9	L418 F420 H424 L425 G426 V427 V429 V432	L418-A422 VanDerWaalsContact O-CB 3.29Å; L418-A422 WeakPolarHBondContact O-CB 3.4Å; L418-A422 PolarHBondContact O-N 3.26Å; F420-A422 PolarHBondContact O-N 3.41Å; A422-H424 PolarHBondContact O-N 3.08Å; A422-L425 PolarHBondContact O-N 3.13Å; A422-G426 PolarHBondContact O-N 3.48Å; A422-V427 CarbonylContact C-O 3.11Å; A422-V427 WeakPolarHBondContact CB-O 3.4Å; A422-V427 PolarHBondContact O-N 3.03Å; A422-V429 HydrophobicContact CB-CB 4.37Å; A422-V429 HydrophobicContact CB-CG2 3.76Å; A422-V432 HydrophobicContact CB-CG2 4.09Å
423	S	87	Confident	84.7	Confident	67 Å²	67	37.5 Å²	37.5	47%	0.469	21%	0.21	S	C	.	.	H	α-helix	trans	-65.8	-35.8	177.2	-167.8	0	0	0	0	113.1	G419 F420 M421	G419-S423 WeakPolarHBondContact O-CB 3.42Å; G419-S423 PolarHBondContact O-N 3.2Å; F420-S423 PolarHBondContact O-N 3.08Å; M421-S423 PolarHBondContact O-N 3.25Å
424	H	81.2	Confident	83.3	Confident	104 Å²	104	40.5 Å²	40.5	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-73.2	-34.3	177.8	-164.5	84.5	0	0	0	112.1	F420 M421 A422	F420-H424 WeakPolarHBondContact O-CB 3.32Å; F420-H424 PolarHBondContact O-N 3.1Å; M421-H424 PolarHBondContact O-N 3.12Å; A422-H424 PolarHBondContact O-N 3.08Å
425	L	76.4	Confident	82	Confident	61 Å²	61	45.1 Å²	45.1	32%	0.319	25%	0.248	S	C	.	.	H	α-helix	trans	-79.6	-15.7	174.8	-80.5	171.6	0	0	0	114.2	V232 M421 A422 V427 V432	V232-L425 HydrophobicContact CB-CD2 4.1Å; V232-L425 HydrophobicContact CG1-CD2 3.85Å; V232-L425 HydrophobicContact CG1-CG 4.08Å; V232-L425 HydrophobicContact CG2-CD1 4.15Å; V232-L425 HydrophobicContact CG2-CD2 3.85Å; V232-L425 HydrophobicContact CG2-CG 4.13Å; M421-L425 HydrophobicContact CG-CD1 3.9Å; M421-L425 WeakPolarHBondContact O-CB 3.44Å; M421-L425 PolarHBondContact O-N 3.45Å; A422-L425 PolarHBondContact O-N 3.13Å; L425-V427 VanDerWaalsContact C-N 3.32Å; L425-V427 HydrophobicContact CB-CG1 4.27Å; L425-V427 HydrophobicContact CB-CG2 3.73Å; L425-V427 HydrophobicContact CD1-CG2 4.22Å; L425-V432 HydrophobicContact CD1-CG1 3.89Å
426	G	78.8	Confident	80.8	Confident	71 Å²	71	46.2 Å²	46.2	73%	0.732	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	31.9	-172.7	0	0	0	0	0	113.4	A422	A422-G426 PolarHBondContact O-N 3.48Å
427	V	80.7	Confident	79.7	Confident	52 Å²	52	47.2 Å²	47.2	32%	0.315	27%	0.266	S	S	.	.	S	Bend	trans	-123.2	161.2	-179.1	-58.2	0	0	0	0	111.5	A422 L425 V432	A422-V427 CarbonylContact C-O 3.11Å; A422-V427 WeakPolarHBondContact CB-O 3.4Å; A422-V427 PolarHBondContact O-N 3.03Å; L425-V427 VanDerWaalsContact C-N 3.32Å; L425-V427 HydrophobicContact CB-CG1 4.27Å; L425-V427 HydrophobicContact CB-CG2 3.73Å; L425-V427 HydrophobicContact CD1-CG2 4.22Å; V427-V432 HydrophobicContact CG2-CG1 3.72Å
428	D	83.5	Confident	79	Confident	104 Å²	104	47.3 Å²	47.3	56%	0.556	27%	0.27	S	S	*	.			trans	-65.5	144.3	173	-60.3	-59.6	0	0	0	112.1	S430 R431	D428-S430 WeakPolarHBondContact CB-OG 3.46Å; D428-S430 PolarHBondContact O-N 3.18Å; D428-S430 VanDerWaalsContact O-N 3.09Å; D428-R431 PolarHBondContact O-N 3.36Å
429	V	82.9	Confident	78.7	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.036	27%	0.27	C	S	.	.	H	α-helix	trans	-54.8	-31	175.9	-177.2	0	0	0	0	111.8	T342 Y346 F415 L418 A422 R431 V432 A433	T342-V429 HydrophobicContact CG2-CG2 4.28Å; Y346-V429 HydrophobicContact CD1-CB 3.93Å; Y346-V429 HydrophobicContact CD1-CG1 3.61Å; Y346-V429 HydrophobicContact CD2-CB 4.36Å; Y346-V429 HydrophobicContact CE1-CB 4.35Å; Y346-V429 HydrophobicContact CE1-CG1 4.11Å; Y346-V429 HydrophobicContact CG-CB 3.93Å; Y346-V429 HydrophobicContact CG-CG1 4.06Å; Y346-V429 HydrophobicContact CG-CG2 4.46Å; F415-V429 HydrophobicContact CD1-CG1 4.16Å; F415-V429 HydrophobicContact CE1-CG1 4.12Å; L418-V429 HydrophobicContact CB-CG1 4.44Å; A422-V429 HydrophobicContact CB-CB 4.37Å; A422-V429 HydrophobicContact CB-CG2 3.76Å; V429-R431 VanDerWaalsContact C-N 3.25Å; V429-R431 PolarHBondContact O-N 3.34Å; V429-V432 WeakPolarHBondContact O-CG2 3.47Å; V429-V432 PolarHBondContact O-N 3.35Å; V429-A433 WeakPolarHBondContact O-CB 3.31Å; V429-A433 PolarHBondContact O-N 2.9Å; V429-A433 VanDerWaalsContact O-N 3.16Å
430	S	81.4	Confident	78.5	Confident	56 Å²	56	47.3 Å²	47.3	39%	0.392	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-26.4	176.1	57.5	0	0	0	0	114.4	Y346 D428	Y346-S430 WeakPolarHBondContact OH-CB 3.31Å; D428-S430 WeakPolarHBondContact CB-OG 3.46Å; D428-S430 PolarHBondContact O-N 3.18Å; D428-S430 VanDerWaalsContact O-N 3.09Å
431	R	77.1	Confident	78.6	Confident	196 Å²	196	46.2 Å²	46.2	74%	0.74	26%	0.264	S	S	*	.	H	α-helix	trans	-84	-17.3	-179.7	-64.3	-169.4	-177.2	-157.6	-0.4	113.8	D428 V429	D428-R431 PolarHBondContact O-N 3.36Å; V429-R431 VanDerWaalsContact C-N 3.25Å; V429-R431 PolarHBondContact O-N 3.34Å
432	V	76.6	Confident	78.7	Confident	18 Å²	18	46.2 Å²	46.2	11%	0.109	27%	0.265	C	S	.	.	H	α-helix	trans	-108.9	-7.7	-179.5	-57.5	0	0	0	0	113	M421 A422 L425 V427 V429 D434	M421-V432 HydrophobicContact CE-CB 3.71Å; M421-V432 HydrophobicContact CE-CG1 4.42Å; M421-V432 HydrophobicContact CE-CG2 3.93Å; A422-V432 HydrophobicContact CB-CG2 4.09Å; L425-V432 HydrophobicContact CD1-CG1 3.89Å; V427-V432 HydrophobicContact CG2-CG1 3.72Å; V429-V432 WeakPolarHBondContact O-CG2 3.47Å; V429-V432 PolarHBondContact O-N 3.35Å; V432-D434 PolarHBondContact O-N 3.22Å
433	A	68.2	Low	78.8	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.033	27%	0.267	C	S	.	.			trans	-89.3	78.4	178.9	0	0	0	0	0	111.1	Y131 L418 V429	Y131-A433 HydrophobicContact CD1-CB 4.45Å; Y131-A433 HydrophobicContact CE1-CB 3.68Å; Y131-A433 PolarHBondContact OH-O 2.91Å; L418-A433 HydrophobicContact CD1-CB 4.32Å; V429-A433 WeakPolarHBondContact O-CB 3.31Å; V429-A433 PolarHBondContact O-N 2.9Å; V429-A433 VanDerWaalsContact O-N 3.16Å
434	D	64.4	Low	78.9	Confident	64 Å²	64	43.4 Å²	43.4	34%	0.342	25%	0.245	S	C	.	.			trans	-59.4	173.5	177.4	-108.9	-33.9	0	0	0	114.4	V432 L439 A443	V432-D434 PolarHBondContact O-N 3.22Å; D434-L439 HydrophobicContact CB-CB 4.39Å; D434-A443 HydrophobicContact CB-CB 4.23Å
435	H	63.8	Low	79.3	Confident	100 Å²	100	38.5 Å²	38.5	46%	0.463	22%	0.222	S	C	.	.			trans	-109.7	146.5	-177.2	-60.2	7.6	0	0	0	112.1	Y128 Y131 G438	Y128-H435 AromaticContact CD2-ND1 3.81Å; Y128-H435 HydrophobicContact CE2-CB 4.06Å; Y128-H435 AromaticContact CE2-CD2 3.73Å; Y128-H435 AromaticContact CE2-CE1 3.39Å; Y128-H435 WeakPolarHBondContact CE2-CE1 3.1Å; Y128-H435 AromaticContact CE2-CG 3.39Å; Y128-H435 AromaticContact CE2-ND1 3.16Å; Y128-H435 WeakPolarHBondContact CE2-ND1 3.35Å; Y128-H435 AromaticContact CE2-NE2 3.67Å; Y128-H435 AromaticContact CZ-CD2 3.63Å; Y128-H435 AromaticContact CZ-CG 3.56Å; Y128-H435 AromaticContact CZ-ND1 3.84Å; Y128-H435 AromaticContact CZ-NE2 3.88Å; Y128-H435 PolarHBondContact OH-CD2 3.36Å; Y128-H435 PolarHBondContact OH-NE2 3.34Å; Y131-H435 PolarHBondContact OH-CE1 3.48Å; Y131-H435 PolarHBondContact OH-ND1 3.49Å; H435-G438 PolarHBondContact O-N 3.19Å
436	G	66.7	Low	80	Confident	25 Å²	25	36 Å²	36	26%	0.258	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-139.7	171.6	0	0	0	0	0	113.7	G438 L439	G436-G438 PolarHBondContact O-N 2.86Å; G436-L439 WeakPolarHBondContact O-CB 3.08Å; G436-L439 PolarHBondContact O-N 3.34Å
437	P	70.7	Confident	80.5	Confident	20 Å²	20	32.7 Å²	32.7	13%	0.13	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-25.1	176.7	-25.2	35.6	0	0	0	114.5	W269 L439 A440 F441 L525	W269-P437 HydrophobicContact CZ2-CB 4.48Å; P437-L439 VanDerWaalsContact C-N 3.3Å; P437-L439 PolarHBondContact O-N 3.14Å; P437-A440 PolarHBondContact O-N 2.83Å; P437-A440 VanDerWaalsContact O-N 3.09Å; P437-F441 HydrophobicContact CB-CD2 4.14Å; P437-F441 WeakPolarHBondContact O-CD2 3.38Å; P437-F441 PolarHBondContact O-N 3.44Å; P437-L525 HydrophobicContact CG-CD2 4Å
438	G	77.9	Confident	81	Confident	12 Å²	12	30.3 Å²	30.3	12%	0.124	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-40.8	175.6	0	0	0	0	0	112	H435 G436 A440 F441 V442 A443	H435-G438 PolarHBondContact O-N 3.19Å; G436-G438 PolarHBondContact O-N 2.86Å; G438-A440 PolarHBondContact O-N 3.34Å; G438-F441 PolarHBondContact O-N 3.07Å; G438-V442 WeakPolarHBondContact O-CA 3.4Å; G438-V442 WeakPolarHBondContact O-CB 3.48Å; G438-V442 PolarHBondContact O-N 2.91Å; G438-A443 PolarHBondContact O-N 3.48Å; G438-A443 VanDerWaalsContact O-N 3.1Å
439	L	80.4	Confident	81.4	Confident	2 Å²	2	26 Å²	26	1%	0.01	14%	0.137	C	C	.	.	I	π-helix	trans	-58.2	-37.9	175.6	-172.4	61.4	0	0	0	111.7	W124 L418 D434 G436 P437 A443 Y444	W124-L439 HydrophobicContact CB-CD2 4.12Å; W124-L439 WeakPolarHBondContact O-CD2 3.34Å; L418-L439 HydrophobicContact CD1-CD1 4.27Å; D434-L439 HydrophobicContact CB-CB 4.39Å; G436-L439 WeakPolarHBondContact O-CB 3.08Å; G436-L439 PolarHBondContact O-N 3.34Å; P437-L439 VanDerWaalsContact C-N 3.3Å; P437-L439 PolarHBondContact O-N 3.14Å; L439-A443 HydrophobicContact CD1-CB 4.08Å; L439-Y444 HydrophobicContact CD1-CE1 4.1Å; L439-Y444 WeakPolarHBondContact CD2-OH 3.42Å; L439-Y444 HydrophobicContact CG-CE1 4.25Å; L439-Y444 HydrophobicContact CG-CE2 4.02Å; L439-Y444 WeakPolarHBondContact CG-OH 3.48Å; L439-Y444 WeakPolarHBondContact O-CD2 3.44Å; L439-Y444 WeakPolarHBondContact O-CE2 3.34Å; L439-Y444 PolarHBondContact O-N 3.37Å; L439-Y444 VanDerWaalsContact O-N 3.14Å
440	A	87.2	Confident	81.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-81.8	-37.1	-175.7	0	0	0	0	0	114.9	W124 P437 G438 P445	W124-A440 HydrophobicContact CD2-CB 3.92Å; W124-A440 HydrophobicContact CE3-CB 3.24Å; W124-A440 HydrophobicContact CH2-CB 4.19Å; W124-A440 HydrophobicContact CZ3-CB 3.39Å; P437-A440 PolarHBondContact O-N 2.83Å; P437-A440 VanDerWaalsContact O-N 3.09Å; G438-A440 PolarHBondContact O-N 3.34Å; A440-P445 WeakPolarHBondContact O-CD 3.42Å
441	F	91.9	Very high	81.9	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.009	12%	0.124	C	C	.	.	I	π-helix	trans	-114.6	-5.8	-170.6	-59.9	-68.1	0	0	0	114.2	W124 V199 I202 A203 Y206 W269 P437 G438 F462 L465	W124-F441 HydrophobicContact CH2-CE2 4.1Å; W124-F441 HydrophobicContact CH2-CZ 4.37Å; W124-F441 HydrophobicContact CZ3-CE2 4.36Å; W124-F441 HydrophobicContact CZ3-CZ 4.45Å; V199-F441 HydrophobicContact CG1-CE2 4.15Å; V199-F441 HydrophobicContact CG1-CZ 4.22Å; I202-F441 HydrophobicContact CB-CE1 4.31Å; I202-F441 HydrophobicContact CB-CZ 4.16Å; I202-F441 HydrophobicContact CG2-CD1 3.66Å; I202-F441 HydrophobicContact CG2-CD2 4.1Å; I202-F441 HydrophobicContact CG2-CE1 3.55Å; I202-F441 HydrophobicContact CG2-CE2 3.99Å; I202-F441 HydrophobicContact CG2-CG 3.95Å; I202-F441 HydrophobicContact CG2-CZ 3.72Å; A203-F441 HydrophobicContact CB-CE1 4.34Å; Y206-F441 AromaticContact CD2-CD1 3.9Å; Y206-F441 HydrophobicContact CD2-CD1 3.9Å; Y206-F441 HydrophobicContact CE2-CB 4.18Å; Y206-F441 AromaticContact CE2-CD1 3.99Å; Y206-F441 HydrophobicContact CE2-CD1 3.99Å; Y206-F441 HydrophobicContact CE2-CG 4.43Å; Y206-F441 HydrophobicContact CG-CD1 4.4Å; Y206-F441 PolarHBondContact OH-O 3.3Å; W269-F441 HydrophobicContact CD2-CB 4.3Å; W269-F441 HydrophobicContact CE3-CB 3.74Å; W269-F441 HydrophobicContact CH2-CB 3.96Å; W269-F441 AromaticContact CH2-CD2 3.85Å; W269-F441 HydrophobicContact CH2-CD2 3.85Å; W269-F441 HydrophobicContact CH2-CG 4.06Å; W269-F441 HydrophobicContact CZ3-CB 3.55Å; W269-F441 HydrophobicContact CZ3-CD2 4.11Å; W269-F441 AromaticContact CZ3-CG 3.84Å; W269-F441 HydrophobicContact CZ3-CG 3.84Å; P437-F441 HydrophobicContact CB-CD2 4.14Å; P437-F441 WeakPolarHBondContact O-CD2 3.38Å; P437-F441 PolarHBondContact O-N 3.44Å; G438-F441 PolarHBondContact O-N 3.07Å; F441-F462 AromaticContact CD1-CE1 3.84Å; F441-F462 HydrophobicContact CD1-CE1 3.84Å; F441-F462 HydrophobicContact CE1-CD1 4.41Å; F441-F462 HydrophobicContact CE1-CE1 4.01Å; F441-L465 HydrophobicContact CE1-CD1 4.4Å
442	V	90.3	Very high	82.5	Confident	5 Å²	5	18.9 Å²	18.9	3%	0.03	11%	0.114	C	C	.	.	I	π-helix	trans	-117.1	-64.6	172.5	179.9	0	0	0	0	110.6	S265 E266 W269 G438 P445 E446	S265-V442 WeakPolarHBondContact CB-O 3.42Å; S265-V442 WeakPolarHBondContact OG-CG1 3.4Å; S265-V442 PolarHBondContact OG-O 3.16Å; E266-V442 HydrophobicContact CB-CG1 3.82Å; E266-V442 HydrophobicContact CG-CG1 4.28Å; W269-V442 HydrophobicContact CB-CG2 3.67Å; W269-V442 HydrophobicContact CD2-CG2 4.45Å; W269-V442 HydrophobicContact CG-CG2 3.7Å; G438-V442 WeakPolarHBondContact O-CA 3.4Å; G438-V442 WeakPolarHBondContact O-CB 3.48Å; G438-V442 PolarHBondContact O-N 2.91Å; V442-P445 VanDerWaalsContact O-CD 3.31Å; V442-P445 WeakPolarHBondContact O-CD 3.35Å; V442-E446 WeakPolarHBondContact O-CB 3.35Å; V442-E446 PolarHBondContact O-N 3.32Å
443	A	88.1	Confident	83.2	Confident	6 Å²	6	24.1 Å²	24.1	5%	0.05	14%	0.14	C	C	.	.	I	π-helix	trans	-69.4	-44.4	-169.9	0	0	0	0	0	114.9	D434 G438 L439 A447	D434-A443 HydrophobicContact CB-CB 4.23Å; G438-A443 PolarHBondContact O-N 3.48Å; G438-A443 VanDerWaalsContact O-N 3.1Å; L439-A443 HydrophobicContact CD1-CB 4.08Å; A443-A447 PolarHBondContact O-N 3.21Å; A443-A447 VanDerWaalsContact O-N 3.1Å
444	Y	88.1	Confident	84.4	Confident	4 Å²	4	25 Å²	25	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-67.1	-44.9	173.2	-54.1	-43.8	0	0	0	112.9	V123 I414 L418 L439 E446 A447 L448 F461	V123-Y444 PolarHBondContact O-OH 3.42Å; I414-Y444 HydrophobicContact CB-CE1 4.29Å; I414-Y444 HydrophobicContact CD1-CD1 4.29Å; I414-Y444 HydrophobicContact CD1-CD2 4.48Å; I414-Y444 HydrophobicContact CD1-CE1 3.65Å; I414-Y444 HydrophobicContact CD1-CE2 3.84Å; I414-Y444 WeakPolarHBondContact CD1-OH 3.33Å; I414-Y444 HydrophobicContact CG1-CE1 4.13Å; I414-Y444 HydrophobicContact CG1-CE2 4.46Å; I414-Y444 VanDerWaalsContact CG1-OH 3.24Å; I414-Y444 WeakPolarHBondContact CG1-OH 3.39Å; I414-Y444 HydrophobicContact CG2-CE1 3.79Å; I414-Y444 WeakPolarHBondContact CG2-OH 3.41Å; L418-Y444 HydrophobicContact CD1-CE1 4.32Å; L418-Y444 HydrophobicContact CD2-CD1 4.25Å; L418-Y444 HydrophobicContact CD2-CE1 4.12Å; L418-Y444 HydrophobicContact CG-CE1 4.21Å; L439-Y444 HydrophobicContact CD1-CE1 4.1Å; L439-Y444 WeakPolarHBondContact CD2-OH 3.42Å; L439-Y444 HydrophobicContact CG-CE1 4.25Å; L439-Y444 HydrophobicContact CG-CE2 4.02Å; L439-Y444 WeakPolarHBondContact CG-OH 3.48Å; L439-Y444 WeakPolarHBondContact O-CD2 3.44Å; L439-Y444 WeakPolarHBondContact O-CE2 3.34Å; L439-Y444 PolarHBondContact O-N 3.37Å; L439-Y444 VanDerWaalsContact O-N 3.14Å; Y444-E446 VanDerWaalsContact C-N 3.25Å; Y444-E446 PolarHBondContact O-N 3.3Å; Y444-A447 PolarHBondContact O-N 2.99Å; Y444-L448 WeakPolarHBondContact O-CB 3.38Å; Y444-L448 VanDerWaalsContact O-CG 3.24Å; Y444-L448 WeakPolarHBondContact O-CG 3.38Å; Y444-L448 PolarHBondContact O-N 3.41Å; Y444-F461 HydrophobicContact CD2-CE1 4.07Å; Y444-F461 AromaticContact CD2-CE2 4Å; Y444-F461 HydrophobicContact CD2-CE2 4Å; Y444-F461 AromaticContact CD2-CZ 3.36Å; Y444-F461 HydrophobicContact CD2-CZ 3.36Å; Y444-F461 HydrophobicContact CE2-CZ 4.14Å; Y444-F461 HydrophobicContact CG-CE2 4.46Å; Y444-F461 HydrophobicContact CG-CZ 4.03Å
445	P	91.4	Very high	85.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-37.4	178.4	-30.4	42	0	0	0	112.8	Y206 W217 A440 V442 T449 F462	Y206-P445 HydrophobicContact CE1-CB 4.45Å; Y206-P445 HydrophobicContact CE1-CG 4.34Å; W217-P445 HydrophobicContact CD2-CB 4.4Å; W217-P445 HydrophobicContact CG-CB 4.36Å; W217-P445 HydrophobicContact CZ2-CB 4.4Å; W217-P445 PolarHBondContact NE1-O 2.73Å; W217-P445 VanDerWaalsContact NE1-O 3.08Å; A440-P445 WeakPolarHBondContact O-CD 3.42Å; V442-P445 VanDerWaalsContact O-CD 3.31Å; V442-P445 WeakPolarHBondContact O-CD 3.35Å; P445-T449 WeakPolarHBondContact O-CG2 3.29Å; P445-T449 PolarHBondContact O-N 3.08Å; P445-F462 HydrophobicContact CB-CZ 4.3Å; P445-F462 HydrophobicContact CG-CE1 4.36Å; P445-F462 HydrophobicContact CG-CE2 4.33Å; P445-F462 HydrophobicContact CG-CZ 3.53Å
446	E	89.7	Confident	87.4	Confident	10 Å²	10	22.2 Å²	22.2	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-57.6	168.2	-166.1	70.9	-157.2	0	0	111.4	V232 S265 M421 V442 Y444 L448 T449	V232-E446 HydrophobicContact CG2-CG 4Å; V232-E446 WeakPolarHBondContact CG2-OE1 3.21Å; S265-E446 WeakPolarHBondContact CB-OE2 3.07Å; S265-E446 PolarHBondContact N-OE2 3.28Å; S265-E446 WeakPolarHBondContact OG-CB 3.29Å; S265-E446 PolarHBondContact OG-OE2 2.91Å; M421-E446 HydrophobicContact SD-CB 4.21Å; M421-E446 HydrophobicContact SD-CG 4.02Å; V442-E446 WeakPolarHBondContact O-CB 3.35Å; V442-E446 PolarHBondContact O-N 3.32Å; Y444-E446 VanDerWaalsContact C-N 3.25Å; Y444-E446 PolarHBondContact O-N 3.3Å; E446-L448 VanDerWaalsContact C-N 3.26Å; E446-L448 PolarHBondContact O-N 3.29Å; E446-T449 WeakPolarHBondContact O-CB 3.43Å; E446-T449 PolarHBondContact O-N 3.13Å; E446-T449 PolarHBondContact O-OG1 2.91Å
447	A	88.8	Confident	88.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-32.3	-176.7	0	0	0	0	0	113.5	I417 M421 A443 Y444 T449 L450	I417-A447 HydrophobicContact CG2-CB 3.56Å; M421-A447 HydrophobicContact CB-CB 4.19Å; M421-A447 HydrophobicContact CE-CB 3.86Å; M421-A447 HydrophobicContact SD-CB 3.81Å; A443-A447 PolarHBondContact O-N 3.21Å; A443-A447 VanDerWaalsContact O-N 3.1Å; Y444-A447 PolarHBondContact O-N 2.99Å; A447-T449 VanDerWaalsContact C-N 3.32Å; A447-L450 WeakPolarHBondContact O-CB 3.24Å; A447-L450 PolarHBondContact O-N 3.06Å
448	L	91.6	Very high	89.9	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-71.7	-24	175.5	-65.6	179.6	0	0	0	112.5	Y444 E446 L450 L451 S454 W457 F461	Y444-L448 WeakPolarHBondContact O-CB 3.38Å; Y444-L448 VanDerWaalsContact O-CG 3.24Å; Y444-L448 WeakPolarHBondContact O-CG 3.38Å; Y444-L448 PolarHBondContact O-N 3.41Å; E446-L448 VanDerWaalsContact C-N 3.26Å; E446-L448 PolarHBondContact O-N 3.29Å; L448-L450 PolarHBondContact O-N 3.3Å; L448-L451 HydrophobicContact CD2-CD1 3.74Å; L448-L451 PolarHBondContact O-N 2.7Å; L448-S454 WeakPolarHBondContact O-CB 3.49Å; L448-W457 HydrophobicContact CD2-CB 4Å; L448-F461 HydrophobicContact CD1-CB 3.67Å; L448-F461 HydrophobicContact CD1-CD1 3.97Å; L448-F461 HydrophobicContact CD1-CG 3.82Å
449	T	91.4	Very high	90.8	Very high	13 Å²	13	23.3 Å²	23.3	8%	0.08	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-28.7	173.9	73.7	0	0	0	0	112.8	L215 W217 A218 P445 E446 A447 L451	L215-T449 HydrophobicContact CD1-CG2 4.05Å; W217-T449 VanDerWaalsContact CD1-CG2 3.42Å; A218-T449 HydrophobicContact CB-CG2 4.11Å; P445-T449 WeakPolarHBondContact O-CG2 3.29Å; P445-T449 PolarHBondContact O-N 3.08Å; E446-T449 WeakPolarHBondContact O-CB 3.43Å; E446-T449 PolarHBondContact O-N 3.13Å; E446-T449 PolarHBondContact O-OG1 2.91Å; A447-T449 VanDerWaalsContact C-N 3.32Å; T449-L451 VanDerWaalsContact C-N 3.25Å; T449-L451 PolarHBondContact O-N 2.66Å
450	L	87.3	Confident	91.5	Very high	25 Å²	25	25.1 Å²	25.1	13%	0.131	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-11	179.8	-50.5	-179.6	0	0	0	113.2	V232 L233 F420 M421 A447 L448	V232-L450 HydrophobicContact CB-CD2 3.75Å; V232-L450 HydrophobicContact CG1-CD1 3.97Å; V232-L450 HydrophobicContact CG1-CD2 3.44Å; V232-L450 VanDerWaalsContact CG1-CD2 3.44Å; V232-L450 HydrophobicContact CG1-CG 4.34Å; V232-L450 HydrophobicContact CG2-CD2 4.27Å; L233-L450 HydrophobicContact CD2-CD2 4.32Å; F420-L450 HydrophobicContact CE1-CB 3.63Å; F420-L450 HydrophobicContact CE1-CD1 4.23Å; F420-L450 HydrophobicContact CZ-CB 4.04Å; M421-L450 HydrophobicContact CB-CD1 4.11Å; M421-L450 HydrophobicContact CG-CD1 4.01Å; A447-L450 WeakPolarHBondContact O-CB 3.24Å; A447-L450 PolarHBondContact O-N 3.06Å; L448-L450 PolarHBondContact O-N 3.3Å
451	L	88.8	Confident	91.9	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	14%	0.138	C	C	.	.	S	Bend	trans	-83.7	141.3	177.3	-61.8	-176.1	0	0	0	111.2	R333 L337 F420 L448 T449 I453 S454 W457	R333-L451 HydrophobicContact CG-CD1 4.47Å; L337-L451 HydrophobicContact CD1-CD2 3.71Å; L337-L451 HydrophobicContact CD2-CD2 3.78Å; L337-L451 HydrophobicContact CG-CD2 4.37Å; F420-L451 HydrophobicContact CE1-CD2 4.14Å; L448-L451 HydrophobicContact CD2-CD1 3.74Å; L448-L451 PolarHBondContact O-N 2.7Å; T449-L451 VanDerWaalsContact C-N 3.25Å; T449-L451 PolarHBondContact O-N 2.66Å; L451-I453 PolarHBondContact O-N 3.13Å; L451-S454 WeakPolarHBondContact O-CB 3.44Å; L451-S454 PolarHBondContact O-N 3.26Å; L451-S454 VanDerWaalsContact O-N 3.15Å; L451-W457 HydrophobicContact CB-CG 4.15Å; L451-W457 HydrophobicContact CD1-CB 4.01Å; L451-W457 HydrophobicContact CD1-CD2 3.89Å; L451-W457 HydrophobicContact CD1-CE3 4.44Å; L451-W457 HydrophobicContact CD1-CG 3.67Å
452	P	88.7	Confident	92.1	Very high	79 Å²	79	25.2 Å²	25.2	51%	0.513	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	135.9	172.3	27.7	-34.5	0	0	0	109.5	W457	P452-W457 PolarHBondContact O-NE1 3.34Å
453	I	92.1	Very high	92.5	Very high	128 Å²	128	27.8 Å²	27.8	66%	0.656	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	46.6	-172.2	-37.1	176.1	0	0	0	111.1	L451 P455 L456 W457	L451-I453 PolarHBondContact O-N 3.13Å; I453-P455 VanDerWaalsContact C-N 3.3Å; I453-P455 VanDerWaalsContact O-N 3.12Å; I453-L456 HydrophobicContact CG2-CB 3.94Å; I453-L456 WeakPolarHBondContact O-CB 3.39Å; I453-L456 PolarHBondContact O-N 3.16Å; I453-W457 VanDerWaalsContact O-CD1 3.29Å
454	S	93.1	Very high	92.8	Very high	21 Å²	21	27.5 Å²	27.5	15%	0.147	15%	0.146	C	C	.	.	H	α-helix	trans	-49.4	-33	-177.6	51.1	0	0	0	0	116.6	L448 L451 L456 W457 S458	L448-S454 WeakPolarHBondContact O-CB 3.49Å; L451-S454 WeakPolarHBondContact O-CB 3.44Å; L451-S454 PolarHBondContact O-N 3.26Å; L451-S454 VanDerWaalsContact O-N 3.15Å; S454-L456 VanDerWaalsContact C-N 3.33Å; S454-L456 PolarHBondContact O-N 2.92Å; S454-W457 PolarHBondContact O-N 3.14Å; S454-S458 PolarHBondContact O-N 3.26Å; S454-S458 VanDerWaalsContact O-N 3.09Å; S454-S458 PolarHBondContact O-OG 3.16Å; S454-S458 VanDerWaalsContact O-OG 3.08Å
455	P	95.7	Very high	93.2	Very high	21 Å²	21	27.4 Å²	27.4	14%	0.136	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-36.5	173.2	-25.6	36.3	0	0	0	114.2	T212 L215 I453 S458 L459	T212-P455 VanDerWaalsContact O-CB 3.28Å; T212-P455 WeakPolarHBondContact O-CB 3.36Å; T212-P455 WeakPolarHBondContact O-CG 3.34Å; L215-P455 HydrophobicContact CD2-CB 4.35Å; L215-P455 HydrophobicContact CD2-CG 4.36Å; L215-P455 HydrophobicContact CG-CG 4.33Å; I453-P455 VanDerWaalsContact C-N 3.3Å; I453-P455 VanDerWaalsContact O-N 3.12Å; P455-S458 PolarHBondContact O-N 3.17Å; P455-L459 WeakPolarHBondContact O-CB 3.16Å; P455-L459 VanDerWaalsContact O-CG 3.27Å; P455-L459 WeakPolarHBondContact O-CG 3.38Å; P455-L459 PolarHBondContact O-N 2.77Å
456	L	94.9	Very high	93.5	Very high	85 Å²	85	27.6 Å²	27.6	45%	0.445	15%	0.147	S	C	.	.	H	α-helix	trans	-63.9	-46.4	179.2	175.2	62.9	0	0	0	111.2	I453 S454 L459 L460	I453-L456 HydrophobicContact CG2-CB 3.94Å; I453-L456 WeakPolarHBondContact O-CB 3.39Å; I453-L456 PolarHBondContact O-N 3.16Å; S454-L456 VanDerWaalsContact C-N 3.33Å; S454-L456 PolarHBondContact O-N 2.92Å; L456-L459 PolarHBondContact O-N 2.75Å; L456-L460 HydrophobicContact CD1-CD1 4.25Å; L456-L460 HydrophobicContact CD1-CG 4.42Å; L456-L460 HydrophobicContact CG-CD1 4.3Å; L456-L460 WeakPolarHBondContact O-CG 3.4Å; L456-L460 PolarHBondContact O-N 3.37Å
457	W	94.9	Very high	93.8	Very high	35 Å²	35	27.5 Å²	27.5	13%	0.133	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-39	-179.5	-54.2	101.2	0	0	0	111.8	I329 L330 R333 L448 L451 P452 I453 S454 L460 F461	I329-W457 HydrophobicContact CG2-CZ3 3.85Å; L330-W457 HydrophobicContact CD2-CE3 3.78Å; L330-W457 HydrophobicContact CD2-CZ3 4.35Å; R333-W457 HydrophobicContact CB-CE3 4.5Å; R333-W457 HydrophobicContact CB-CH2 3.63Å; R333-W457 HydrophobicContact CB-CZ2 4.48Å; R333-W457 HydrophobicContact CB-CZ3 3.62Å; R333-W457 HydrophobicContact CG-CE3 4.33Å; R333-W457 HydrophobicContact CG-CH2 3.48Å; R333-W457 VanDerWaalsContact CG-CH2 3.48Å; R333-W457 HydrophobicContact CG-CZ2 3.84Å; R333-W457 HydrophobicContact CG-CZ3 3.74Å; L448-W457 HydrophobicContact CD2-CB 4Å; L451-W457 HydrophobicContact CB-CG 4.15Å; L451-W457 HydrophobicContact CD1-CB 4.01Å; L451-W457 HydrophobicContact CD1-CD2 3.89Å; L451-W457 HydrophobicContact CD1-CE3 4.44Å; L451-W457 HydrophobicContact CD1-CG 3.67Å; P452-W457 PolarHBondContact O-NE1 3.34Å; I453-W457 VanDerWaalsContact O-CD1 3.29Å; S454-W457 PolarHBondContact O-N 3.14Å; W457-L460 PolarHBondContact O-N 3.35Å; W457-F461 VanDerWaalsContact O-CB 3.24Å; W457-F461 WeakPolarHBondContact O-CB 3.35Å; W457-F461 PolarHBondContact O-N 2.76Å
458	S	95.8	Very high	94.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-44.9	174.9	-58.8	0	0	0	0	111.9	S210 L215 S454 P455 L460 F461 F462	S210-S458 WeakPolarHBondContact OG-CB 3.21Å; L215-S458 VanDerWaalsContact CD1-OG 3.25Å; L215-S458 WeakPolarHBondContact CD1-OG 3.28Å; S454-S458 PolarHBondContact O-N 3.26Å; S454-S458 VanDerWaalsContact O-N 3.09Å; S454-S458 PolarHBondContact O-OG 3.16Å; S454-S458 VanDerWaalsContact O-OG 3.08Å; P455-S458 PolarHBondContact O-N 3.17Å; S458-L460 PolarHBondContact O-N 3.43Å; S458-F461 PolarHBondContact O-N 3.49Å; S458-F462 WeakPolarHBondContact O-CD2 3.22Å; S458-F462 PolarHBondContact O-N 2.93Å
459	L	96.6	Very high	94.4	Very high	46 Å²	46	27.8 Å²	27.8	24%	0.241	15%	0.148	C	C	.	.	H	α-helix	trans	-57.9	-48	174.8	-77.2	167.8	0	0	0	112	F207 M211 P455 L456 F463	F207-L459 HydrophobicContact CD2-CD2 3.81Å; F207-L459 HydrophobicContact CE2-CD2 3.73Å; F207-L459 HydrophobicContact CZ-CD2 4.44Å; F207-L459 VanDerWaalsContact O-CD2 3.32Å; F207-L459 WeakPolarHBondContact O-CD2 3.14Å; M211-L459 HydrophobicContact CE-CD2 4.23Å; M211-L459 HydrophobicContact CG-CD2 3.76Å; P455-L459 WeakPolarHBondContact O-CB 3.16Å; P455-L459 VanDerWaalsContact O-CG 3.27Å; P455-L459 WeakPolarHBondContact O-CG 3.38Å; P455-L459 PolarHBondContact O-N 2.77Å; L456-L459 PolarHBondContact O-N 2.75Å; L459-F463 WeakPolarHBondContact O-CB 3.34Å; L459-F463 PolarHBondContact O-N 3.21Å
460	L	95.8	Very high	94.6	Very high	39 Å²	39	27.4 Å²	27.4	20%	0.204	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-45.2	177.5	-71.2	173	0	0	0	111.8	V326 L456 W457 S458 M464	V326-L460 HydrophobicContact CG1-CB 4.12Å; V326-L460 HydrophobicContact CG2-CD2 4.48Å; L456-L460 HydrophobicContact CD1-CD1 4.25Å; L456-L460 HydrophobicContact CD1-CG 4.42Å; L456-L460 HydrophobicContact CG-CD1 4.3Å; L456-L460 WeakPolarHBondContact O-CG 3.4Å; L456-L460 PolarHBondContact O-N 3.37Å; W457-L460 PolarHBondContact O-N 3.35Å; S458-L460 PolarHBondContact O-N 3.43Å; L460-M464 WeakPolarHBondContact O-CB 3.34Å; L460-M464 PolarHBondContact O-N 3.29Å
461	F	95.4	Very high	94.9	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.022	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-50.5	-179.3	178.9	-102.4	0	0	0	112.4	V123 L330 Y444 L448 W457 S458 F463 M464 L465	V123-F461 HydrophobicContact CG1-CE2 4.42Å; L330-F461 HydrophobicContact CD1-CD2 4.07Å; Y444-F461 HydrophobicContact CD2-CE1 4.07Å; Y444-F461 AromaticContact CD2-CE2 4Å; Y444-F461 HydrophobicContact CD2-CE2 4Å; Y444-F461 AromaticContact CD2-CZ 3.36Å; Y444-F461 HydrophobicContact CD2-CZ 3.36Å; Y444-F461 HydrophobicContact CE2-CZ 4.14Å; Y444-F461 HydrophobicContact CG-CE2 4.46Å; Y444-F461 HydrophobicContact CG-CZ 4.03Å; L448-F461 HydrophobicContact CD1-CB 3.67Å; L448-F461 HydrophobicContact CD1-CD1 3.97Å; L448-F461 HydrophobicContact CD1-CG 3.82Å; W457-F461 VanDerWaalsContact O-CB 3.24Å; W457-F461 WeakPolarHBondContact O-CB 3.35Å; W457-F461 PolarHBondContact O-N 2.76Å; S458-F461 PolarHBondContact O-N 3.49Å; F461-F463 PolarHBondContact O-N 2.84Å; F461-M464 HydrophobicContact CD2-CE 3.61Å; F461-M464 HydrophobicContact CE2-CE 3.62Å; F461-M464 WeakPolarHBondContact O-CB 3.38Å; F461-M464 PolarHBondContact O-N 2.84Å; F461-L465 HydrophobicContact CD1-CD1 4.21Å; F461-L465 HydrophobicContact CE1-CD1 3.46Å; F461-L465 VanDerWaalsContact CE1-CD1 3.46Å; F461-L465 HydrophobicContact CE1-CG 4.04Å; F461-L465 HydrophobicContact CE2-CD2 4.44Å; F461-L465 HydrophobicContact CE2-CG 4.48Å; F461-L465 HydrophobicContact CZ-CD1 3.69Å; F461-L465 HydrophobicContact CZ-CD2 4.08Å; F461-L465 HydrophobicContact CZ-CG 3.97Å; F461-L465 PolarHBondContact O-N 3.49Å
462	F	97	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.8	-33.6	179.5	-70.7	-62.2	0	0	0	112.8	Y206 F207 W217 F441 P445 S458 L465 I466	Y206-F462 VanDerWaalsContact CB-CE1 3.46Å; Y206-F462 VanDerWaalsContact CB-CZ 3.44Å; Y206-F462 AromaticContact CD1-CE1 3.9Å; Y206-F462 HydrophobicContact CD1-CE1 3.9Å; Y206-F462 AromaticContact CD1-CE2 3.65Å; Y206-F462 HydrophobicContact CD1-CE2 3.65Å; Y206-F462 AromaticContact CD1-CZ 3.21Å; Y206-F462 HydrophobicContact CD1-CZ 3.21Å; Y206-F462 HydrophobicContact CE1-CZ 4.03Å; Y206-F462 HydrophobicContact CG-CD1 4.36Å; Y206-F462 AromaticContact CG-CE1 3.74Å; Y206-F462 HydrophobicContact CG-CE1 3.74Å; Y206-F462 HydrophobicContact CG-CE2 4.04Å; Y206-F462 AromaticContact CG-CZ 3.53Å; Y206-F462 HydrophobicContact CG-CZ 3.53Å; F207-F462 HydrophobicContact CB-CB 3.91Å; W217-F462 HydrophobicContact CH2-CE2 4.09Å; W217-F462 AromaticContact CZ2-CE2 3.94Å; W217-F462 HydrophobicContact CZ2-CE2 3.94Å; F441-F462 AromaticContact CD1-CE1 3.84Å; F441-F462 HydrophobicContact CD1-CE1 3.84Å; F441-F462 HydrophobicContact CE1-CD1 4.41Å; F441-F462 HydrophobicContact CE1-CE1 4.01Å; P445-F462 HydrophobicContact CB-CZ 4.3Å; P445-F462 HydrophobicContact CG-CE1 4.36Å; P445-F462 HydrophobicContact CG-CE2 4.33Å; P445-F462 HydrophobicContact CG-CZ 3.53Å; S458-F462 WeakPolarHBondContact O-CD2 3.22Å; S458-F462 PolarHBondContact O-N 2.93Å; F462-L465 HydrophobicContact CD1-CD1 4.08Å; F462-L465 HydrophobicContact CE1-CD1 4.38Å; F462-L465 PolarHBondContact O-N 2.95Å; F462-I466 VanDerWaalsContact O-CG1 3.3Å; F462-I466 WeakPolarHBondContact O-CG1 3.41Å; F462-I466 PolarHBondContact O-N 3.12Å
463	F	97.2	Very high	95.6	Very high	58 Å²	58	22.7 Å²	22.7	25%	0.254	12%	0.117	S	C	.	.	H	α-helix	trans	-63.8	-42	171.7	-171.9	-120.9	0	0	0	111.9	F207 F318 F322 L459 F461 L465 I466 L467	F207-F463 HydrophobicContact CD2-CB 3.94Å; F207-F463 HydrophobicContact CE2-CB 3.78Å; F207-F463 HydrophobicContact CE2-CD2 4.12Å; F207-F463 HydrophobicContact CE2-CG 4.21Å; F207-F463 HydrophobicContact CZ-CD2 4.21Å; F318-F463 HydrophobicContact CE1-CE1 4.05Å; F318-F463 AromaticContact CE1-CZ 3.8Å; F318-F463 HydrophobicContact CE1-CZ 3.8Å; F318-F463 AromaticContact CZ-CE1 3.88Å; F318-F463 HydrophobicContact CZ-CE1 3.88Å; F318-F463 AromaticContact CZ-CZ 3.99Å; F318-F463 HydrophobicContact CZ-CZ 3.99Å; F322-F463 HydrophobicContact CD1-CD1 4.06Å; F322-F463 AromaticContact CD1-CE1 3.93Å; F322-F463 HydrophobicContact CD1-CE1 3.93Å; F322-F463 AromaticContact CE1-CD1 3.58Å; F322-F463 HydrophobicContact CE1-CD1 3.58Å; F322-F463 AromaticContact CE1-CE1 3.67Å; F322-F463 HydrophobicContact CE1-CE1 3.67Å; F322-F463 HydrophobicContact CZ-CD1 4.36Å; F322-F463 HydrophobicContact CZ-CE1 4.23Å; L459-F463 WeakPolarHBondContact O-CB 3.34Å; L459-F463 PolarHBondContact O-N 3.21Å; F461-F463 PolarHBondContact O-N 2.84Å; F463-L465 PolarHBondContact O-N 3.27Å; F463-I466 PolarHBondContact O-N 3.16Å; F463-L467 HydrophobicContact CD1-CD1 4.17Å; F463-L467 HydrophobicContact CE1-CD1 3.82Å; F463-L467 HydrophobicContact CE1-CG 4.45Å; F463-L467 HydrophobicContact CE2-CD2 4.38Å; F463-L467 HydrophobicContact CZ-CD1 4.12Å; F463-L467 HydrophobicContact CZ-CD2 4.27Å; F463-L467 HydrophobicContact CZ-CG 4.38Å; F463-L467 WeakPolarHBondContact O-CG 3.28Å; F463-L467 PolarHBondContact O-N 3.06Å
464	M	95.9	Very high	95.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-57.7	-46	171	173.8	-166.7	77.2	0	0	112	V123 P323 V326 L327 L460 F461 I466 L467 L468	V123-M464 HydrophobicContact CG1-CE 4.25Å; P323-M464 HydrophobicContact CB-CG 3.95Å; V326-M464 HydrophobicContact CB-CB 3.99Å; V326-M464 HydrophobicContact CB-CG 4.23Å; V326-M464 HydrophobicContact CB-SD 4.06Å; V326-M464 HydrophobicContact CG1-CB 3.83Å; V326-M464 HydrophobicContact CG1-CG 4.28Å; V326-M464 HydrophobicContact CG1-SD 3.81Å; V326-M464 HydrophobicContact CG2-CB 4.24Å; L327-M464 HydrophobicContact CD2-CE 4.28Å; L327-M464 HydrophobicContact CD2-SD 3.66Å; L327-M464 HydrophobicContact CG-SD 3.71Å; L460-M464 WeakPolarHBondContact O-CB 3.34Å; L460-M464 PolarHBondContact O-N 3.29Å; F461-M464 HydrophobicContact CD2-CE 3.61Å; F461-M464 HydrophobicContact CE2-CE 3.62Å; F461-M464 WeakPolarHBondContact O-CB 3.38Å; F461-M464 PolarHBondContact O-N 2.84Å; M464-I466 PolarHBondContact O-N 2.9Å; M464-L467 PolarHBondContact O-N 3.33Å; M464-L468 HydrophobicContact CG-CD1 3.94Å; M464-L468 HydrophobicContact CG-CG 4.39Å; M464-L468 WeakPolarHBondContact O-CG 3.29Å; M464-L468 PolarHBondContact O-N 3.48Å
465	L	95.6	Very high	95.8	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-60.9	-42.2	176.7	-67.2	-174.1	0	0	0	112.1	L120 V123 W124 A203 F441 F461 F462 F463 L467 L468 G469	L120-L465 HydrophobicContact CD2-CB 3.94Å; L120-L465 HydrophobicContact CD2-CD2 3.82Å; L120-L465 HydrophobicContact CD2-CG 4.41Å; L120-L465 WeakPolarHBondContact CD2-O 3.46Å; V123-L465 HydrophobicContact CG1-CD2 4.32Å; W124-L465 HydrophobicContact CE3-CD2 4.4Å; W124-L465 HydrophobicContact CZ3-CD1 4.25Å; W124-L465 HydrophobicContact CZ3-CD2 4.23Å; A203-L465 HydrophobicContact CB-CB 4.11Å; F441-L465 HydrophobicContact CE1-CD1 4.4Å; F461-L465 HydrophobicContact CD1-CD1 4.21Å; F461-L465 HydrophobicContact CE1-CD1 3.46Å; F461-L465 VanDerWaalsContact CE1-CD1 3.46Å; F461-L465 HydrophobicContact CE1-CG 4.04Å; F461-L465 HydrophobicContact CE2-CD2 4.44Å; F461-L465 HydrophobicContact CE2-CG 4.48Å; F461-L465 HydrophobicContact CZ-CD1 3.69Å; F461-L465 HydrophobicContact CZ-CD2 4.08Å; F461-L465 HydrophobicContact CZ-CG 3.97Å; F461-L465 PolarHBondContact O-N 3.49Å; F462-L465 HydrophobicContact CD1-CD1 4.08Å; F462-L465 HydrophobicContact CE1-CD1 4.38Å; F462-L465 PolarHBondContact O-N 2.95Å; F463-L465 PolarHBondContact O-N 3.27Å; L465-L467 PolarHBondContact O-N 3.46Å; L465-L468 PolarHBondContact O-N 3.24Å; L465-G469 PolarHBondContact O-N 3.15Å
466	I	97.5	Very high	95.8	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-57.4	-48.5	174.6	-68.2	160	0	0	0	110.5	I200 A203 F204 F207 F462 F463 M464 G469 L470	I200-I466 HydrophobicContact CG2-CG2 4.4Å; A203-I466 HydrophobicContact CB-CG1 3.75Å; F204-I466 HydrophobicContact CB-CD1 4.49Å; F204-I466 HydrophobicContact CD1-CD1 3.64Å; F204-I466 HydrophobicContact CD1-CG1 4.31Å; F204-I466 HydrophobicContact CD2-CG1 4.34Å; F204-I466 HydrophobicContact CD2-CG2 4.46Å; F204-I466 HydrophobicContact CE1-CD1 3.93Å; F204-I466 HydrophobicContact CE1-CG1 4.47Å; F204-I466 HydrophobicContact CE1-CG2 3.94Å; F204-I466 HydrophobicContact CE2-CG1 4.5Å; F204-I466 HydrophobicContact CE2-CG2 3.8Å; F204-I466 HydrophobicContact CG-CD1 3.96Å; F204-I466 HydrophobicContact CG-CG1 4.24Å; F204-I466 HydrophobicContact CZ-CD1 4.48Å; F204-I466 HydrophobicContact CZ-CG2 3.5Å; F207-I466 HydrophobicContact CB-CD1 3.74Å; F207-I466 HydrophobicContact CD1-CD1 4.26Å; F207-I466 HydrophobicContact CG-CD1 3.97Å; F462-I466 VanDerWaalsContact O-CG1 3.3Å; F462-I466 WeakPolarHBondContact O-CG1 3.41Å; F462-I466 PolarHBondContact O-N 3.12Å; F463-I466 PolarHBondContact O-N 3.16Å; M464-I466 PolarHBondContact O-N 2.9Å; I466-G469 PolarHBondContact O-N 2.95Å; I466-L470 HydrophobicContact CG2-CD1 3.78Å; I466-L470 HydrophobicContact CG2-CG 4.26Å; I466-L470 WeakPolarHBondContact O-CB 3.46Å; I466-L470 VanDerWaalsContact O-CG 3.25Å; I466-L470 WeakPolarHBondContact O-CG 3.39Å; I466-L470 PolarHBondContact O-N 3Å
467	L	96.8	Very high	95.9	Very high	8 Å²	8	11 Å²	11	4%	0.042	5%	0.054	C	C	.	.	H	α-helix	trans	-65.6	-42.3	-177.9	-64.8	-177.7	0	0	0	113.1	F318 T319 F322 P323 F463 M464 L465 G469 L470 G471	F318-L467 HydrophobicContact CD1-CD1 4.34Å; F318-L467 HydrophobicContact CD1-CD2 4.26Å; F318-L467 HydrophobicContact CE1-CD1 3.76Å; F318-L467 HydrophobicContact CE1-CD2 4.01Å; F318-L467 HydrophobicContact CZ-CD1 4.33Å; T319-L467 HydrophobicContact CG2-CD2 3.91Å; F322-L467 HydrophobicContact CB-CD1 3.83Å; F322-L467 HydrophobicContact CD1-CD1 3.6Å; F322-L467 HydrophobicContact CG-CD1 4.04Å; P323-L467 HydrophobicContact CG-CB 3.93Å; F463-L467 HydrophobicContact CD1-CD1 4.17Å; F463-L467 HydrophobicContact CE1-CD1 3.82Å; F463-L467 HydrophobicContact CE1-CG 4.45Å; F463-L467 HydrophobicContact CE2-CD2 4.38Å; F463-L467 HydrophobicContact CZ-CD1 4.12Å; F463-L467 HydrophobicContact CZ-CD2 4.27Å; F463-L467 HydrophobicContact CZ-CG 4.38Å; F463-L467 WeakPolarHBondContact O-CG 3.28Å; F463-L467 PolarHBondContact O-N 3.06Å; M464-L467 PolarHBondContact O-N 3.33Å; L465-L467 PolarHBondContact O-N 3.46Å; L467-G469 VanDerWaalsContact C-N 3.34Å; L467-L470 PolarHBondContact O-N 2.97Å; L467-G471 PolarHBondContact O-N 3.29Å; L467-G471 VanDerWaalsContact O-N 3.13Å
468	L	95.3	Very high	95.9	Very high	9 Å²	9	9.4 Å²	9.4	5%	0.047	5%	0.048	C	C	.	.	H	α-helix	trans	-62.6	-40.2	174.2	-71.3	174.4	0	0	0	111.9	V118 L120 V123 P323 M464 L465	V118-L468 HydrophobicContact CG1-CD2 3.86Å; L120-L468 HydrophobicContact CD2-CB 4.36Å; V123-L468 HydrophobicContact CG2-CD1 3.55Å; P323-L468 HydrophobicContact CB-CD1 4.42Å; P323-L468 HydrophobicContact CB-CD2 3.61Å; P323-L468 HydrophobicContact CB-CG 3.85Å; P323-L468 HydrophobicContact CG-CD2 3.8Å; P323-L468 HydrophobicContact CG-CG 3.93Å; M464-L468 HydrophobicContact CG-CD1 3.94Å; M464-L468 HydrophobicContact CG-CG 4.39Å; M464-L468 WeakPolarHBondContact O-CG 3.29Å; M464-L468 PolarHBondContact O-N 3.48Å; L465-L468 PolarHBondContact O-N 3.24Å
469	G	96	Very high	95.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.7	-46.5	174.6	0	0	0	0	0	112.5	Y196 I200 L465 I466 L467 G471 T472 Q473	Y196-G469 WeakPolarHBondContact CE1-O 3.24Å; I200-G469 WeakPolarHBondContact CD1-O 3.3Å; L465-G469 PolarHBondContact O-N 3.15Å; I466-G469 PolarHBondContact O-N 2.95Å; L467-G469 VanDerWaalsContact C-N 3.34Å; G469-G471 VanDerWaalsContact C-N 3.27Å; G469-G471 PolarHBondContact O-N 2.94Å; G469-T472 PolarHBondContact O-N 3.01Å; G469-Q473 WeakPolarHBondContact O-CB 3.43Å; G469-Q473 PolarHBondContact O-N 3.2Å
470	L	95.8	Very high	95.8	Very high	6 Å²	6	8.5 Å²	8.5	3%	0.031	4%	0.043	C	C	.	.	H	α-helix	trans	-59.2	-37.6	179.8	-74.1	173.5	0	0	0	112.2	V300 V301 I466 L467 Q473 F474	V300-L470 HydrophobicContact CG1-CD1 3.77Å; V300-L470 HydrophobicContact CG1-CD2 3.93Å; V301-L470 HydrophobicContact CG2-CD2 3.57Å; I466-L470 HydrophobicContact CG2-CD1 3.78Å; I466-L470 HydrophobicContact CG2-CG 4.26Å; I466-L470 WeakPolarHBondContact O-CB 3.46Å; I466-L470 VanDerWaalsContact O-CG 3.25Å; I466-L470 WeakPolarHBondContact O-CG 3.39Å; I466-L470 PolarHBondContact O-N 3Å; L467-L470 PolarHBondContact O-N 2.97Å; L470-Q473 PolarHBondContact O-N 3.18Å; L470-F474 HydrophobicContact CB-CE1 3.99Å; L470-F474 HydrophobicContact CB-CE2 4.26Å; L470-F474 HydrophobicContact CB-CZ 3.73Å; L470-F474 HydrophobicContact CD2-CE1 4Å; L470-F474 HydrophobicContact CD2-CZ 4.39Å; L470-F474 HydrophobicContact CG-CZ 4.45Å; L470-F474 VanDerWaalsContact O-CD1 3.24Å; L470-F474 WeakPolarHBondContact O-CD1 3.34Å; L470-F474 WeakPolarHBondContact O-CD2 3.39Å; L470-F474 WeakPolarHBondContact O-CG 3.24Å; L470-F474 PolarHBondContact O-N 3.48Å
471	G	94.2	Very high	95.7	Very high	3 Å²	3	6.6 Å²	6.6	3%	0.031	3%	0.033	C	C	.	.	H	α-helix	trans	-54	-54.1	175.3	0	0	0	0	0	113.3	G115 L467 G469	G115-G471 CarbonylContact O-C 3.56Å; G115-G471 VanDerWaalsContact O-CA 3.28Å; G115-G471 WeakPolarHBondContact O-CA 3.45Å; L467-G471 PolarHBondContact O-N 3.29Å; L467-G471 VanDerWaalsContact O-N 3.13Å; G469-G471 VanDerWaalsContact C-N 3.27Å; G469-G471 PolarHBondContact O-N 2.94Å
472	T	95.4	Very high	95.6	Very high	5 Å²	5	6.4 Å²	6.4	3%	0.031	3%	0.032	C	C	.	.	H	α-helix	trans	-65	-42.5	176.5	-44.9	0	0	0	0	111.7	G115 Y116 Y196 W376 G469 F474 C475 L476	G115-T472 PolarHBondContact O-N 3.09Å; G115-T472 VanDerWaalsContact O-N 3.08Å; Y116-T472 HydrophobicContact CD2-CG2 3.95Å; Y116-T472 HydrophobicContact CE2-CG2 4.09Å; Y116-T472 PolarHBondContact O-OG1 2.95Å; Y116-T472 VanDerWaalsContact O-OG1 3.08Å; Y196-T472 HydrophobicContact CE1-CG2 4.09Å; Y196-T472 PolarHBondContact OH-OG1 2.62Å; Y196-T472 VanDerWaalsContact OH-OG1 3.12Å; W376-T472 HydrophobicContact CZ3-CG2 4.26Å; G469-T472 PolarHBondContact O-N 3.01Å; T472-F474 VanDerWaalsContact C-N 3.32Å; T472-F474 PolarHBondContact O-N 3.24Å; T472-C475 PolarHBondContact O-N 3.05Å; T472-L476 HydrophobicContact CG2-CD1 4.1Å; T472-L476 HydrophobicContact CG2-CG 4.48Å; T472-L476 PolarHBondContact O-N 2.89Å; T472-L476 VanDerWaalsContact O-N 3.13Å
473	Q	96.6	Very high	95.4	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-64.4	-33.8	-176.4	-170.9	63.5	11.2	0	0	112.9	G193 I200 V301 G469 L470 C475 L476 L477	G193-Q473 PolarHBondContact O-NE2 3.24Å; G193-Q473 PolarHBondContact O-OE1 2.9Å; I200-Q473 HydrophobicContact CD1-CB 3.82Å; I200-Q473 HydrophobicContact CD1-CG 4.19Å; V301-Q473 HydrophobicContact CG1-CG 4.1Å; V301-Q473 HydrophobicContact CG2-CB 4.41Å; V301-Q473 HydrophobicContact CG2-CG 3.65Å; G469-Q473 WeakPolarHBondContact O-CB 3.43Å; G469-Q473 PolarHBondContact O-N 3.2Å; L470-Q473 PolarHBondContact O-N 3.18Å; Q473-C475 VanDerWaalsContact C-N 3.34Å; Q473-C475 PolarHBondContact O-N 3.03Å; Q473-L476 PolarHBondContact O-N 2.98Å; Q473-L477 PolarHBondContact O-N 3.17Å
474	F	94.9	Very high	95.1	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	3%	0.034	C	C	.	.	H	α-helix	trans	-61.7	-42.7	174.9	-61.6	-22.9	0	0	0	111.8	C304 L305 V315 V316 T319 L470 T472 E478	C304-F474 HydrophobicContact CB-CD1 4.08Å; C304-F474 HydrophobicContact CB-CE1 3.34Å; C304-F474 HydrophobicContact CB-CE2 4.2Å; C304-F474 HydrophobicContact CB-CZ 3.41Å; C304-F474 VanDerWaalsContact CB-CZ 3.41Å; C304-F474 VanDerWaalsContact SG-CZ 3.55Å; L305-F474 HydrophobicContact CD1-CB 4.34Å; L305-F474 HydrophobicContact CD1-CD1 4.43Å; L305-F474 HydrophobicContact CD2-CB 4.46Å; L305-F474 HydrophobicContact CG-CB 4.46Å; L305-F474 HydrophobicContact CG-CD1 4.44Å; V315-F474 HydrophobicContact CG1-CE2 3.8Å; V315-F474 HydrophobicContact CG1-CZ 4Å; V316-F474 HydrophobicContact CG1-CD2 4.45Å; T319-F474 HydrophobicContact CG2-CE2 4.39Å; L470-F474 HydrophobicContact CB-CE1 3.99Å; L470-F474 HydrophobicContact CB-CE2 4.26Å; L470-F474 HydrophobicContact CB-CZ 3.73Å; L470-F474 HydrophobicContact CD2-CE1 4Å; L470-F474 HydrophobicContact CD2-CZ 4.39Å; L470-F474 HydrophobicContact CG-CZ 4.45Å; L470-F474 VanDerWaalsContact O-CD1 3.24Å; L470-F474 WeakPolarHBondContact O-CD1 3.34Å; L470-F474 WeakPolarHBondContact O-CD2 3.39Å; L470-F474 WeakPolarHBondContact O-CG 3.24Å; L470-F474 PolarHBondContact O-N 3.48Å; T472-F474 VanDerWaalsContact C-N 3.32Å; T472-F474 PolarHBondContact O-N 3.24Å; F474-E478 VanDerWaalsContact O-CB 3.29Å; F474-E478 WeakPolarHBondContact O-CB 3.42Å; F474-E478 PolarHBondContact O-N 3.33Å
475	C	95.6	Very high	94.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-69	-41.9	179.5	-170.9	0	0	0	0	111.8	Y116 M382 T472 Q473 E478 T479	Y116-C475 HydrophobicContact CD2-CB 3.26Å; Y116-C475 VanDerWaalsContact CD2-SG 3.54Å; Y116-C475 HydrophobicContact CE2-CB 3.85Å; Y116-C475 HydrophobicContact CG-CB 3.7Å; M382-C475 HydrophobicContact CE-CB 4.48Å; M382-C475 WeakPolarHBondContact CG-SG 3.41Å; M382-C475 HydrophobicContact SD-CB 4.46Å; T472-C475 PolarHBondContact O-N 3.05Å; Q473-C475 VanDerWaalsContact C-N 3.34Å; Q473-C475 PolarHBondContact O-N 3.03Å; C475-E478 PolarHBondContact O-N 3.49Å; C475-T479 WeakPolarHBondContact O-CB 3.21Å; C475-T479 PolarHBondContact O-N 2.91Å; C475-T479 PolarHBondContact O-OG1 2.92Å
476	L	95.8	Very high	94.5	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-60	-49.2	177	-72.1	170.7	0	0	0	112	I192 W376 T472 Q473 T479 L480	I192-L476 HydrophobicContact CB-CD1 4.3Å; I192-L476 HydrophobicContact CB-CD2 4.39Å; I192-L476 HydrophobicContact CG2-CD1 3.67Å; I192-L476 HydrophobicContact CG2-CD2 4.37Å; W376-L476 HydrophobicContact CE3-CD2 3.77Å; W376-L476 HydrophobicContact CZ3-CD2 4.19Å; T472-L476 HydrophobicContact CG2-CD1 4.1Å; T472-L476 HydrophobicContact CG2-CG 4.48Å; T472-L476 PolarHBondContact O-N 2.89Å; T472-L476 VanDerWaalsContact O-N 3.13Å; Q473-L476 PolarHBondContact O-N 2.98Å; L476-T479 WeakPolarHBondContact O-CB 3.31Å; L476-T479 PolarHBondContact O-N 2.96Å; L476-L480 PolarHBondContact O-N 3.05Å
477	L	95.6	Very high	94	Very high	6 Å²	6	11.4 Å²	11.4	3%	0.031	6%	0.059	C	C	.	.	H	α-helix	trans	-66.3	-44.6	179.1	-176.5	61.9	0	0	0	111.7	W298 V301 L305 Q473 T479 L480 V481 T501 V504 A505	W298-L477 HydrophobicContact CZ3-CD1 4.27Å; W298-L477 HydrophobicContact CZ3-CD2 4.24Å; V301-L477 HydrophobicContact CG1-CB 4.42Å; V301-L477 HydrophobicContact CG1-CD2 3.57Å; L305-L477 HydrophobicContact CD1-CB 3.77Å; L305-L477 HydrophobicContact CD1-CD2 3.74Å; L305-L477 HydrophobicContact CD1-CG 3.98Å; Q473-L477 PolarHBondContact O-N 3.17Å; L477-T479 PolarHBondContact O-N 3.46Å; L477-L480 PolarHBondContact O-N 3Å; L477-V481 HydrophobicContact CD1-CG2 4.23Å; L477-V481 HydrophobicContact CG-CG2 4.29Å; L477-V481 WeakPolarHBondContact O-CG2 3.4Å; L477-V481 PolarHBondContact O-N 2.95Å; L477-T501 HydrophobicContact CD2-CG2 4.11Å; L477-V504 HydrophobicContact CD1-CB 3.94Å; L477-V504 HydrophobicContact CD1-CG1 3.33Å; L477-A505 HydrophobicContact CD2-CB 4.43Å
478	E	95.3	Very high	93.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-64.8	-29.9	178.3	-173.5	71.7	160.2	0	0	111.8	L305 G308 V309 M382 F474 C475 T482 K497	L305-E478 HydrophobicContact CD2-CB 4.14Å; G308-E478 WeakPolarHBondContact CA-OE1 3.31Å; V309-E478 HydrophobicContact CG1-CG 4.27Å; V309-E478 PolarHBondContact N-OE1 3.4Å; M382-E478 HydrophobicContact CE-CB 3.99Å; M382-E478 HydrophobicContact CE-CG 3.87Å; F474-E478 VanDerWaalsContact O-CB 3.29Å; F474-E478 WeakPolarHBondContact O-CB 3.42Å; F474-E478 PolarHBondContact O-N 3.33Å; C475-E478 PolarHBondContact O-N 3.49Å; E478-T482 WeakPolarHBondContact O-CB 3.38Å; E478-T482 PolarHBondContact O-N 3.45Å; E478-T482 PolarHBondContact O-OG1 2.91Å; E478-K497 VanDerWaalsContact CD-NZ 3.26Å; E478-K497 IonicContact OE1-NZ 2.61Å; E478-K497 PolarHBondContact OE1-NZ 3.38Å; E478-K497 WeakPolarHBondContact OE2-CE 3.44Å; E478-K497 IonicContact OE2-NZ 2.65Å; E478-K497 PolarHBondContact OE2-NZ 3.45Å
479	T	95.4	Very high	92.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-49.3	172	-60	0	0	0	0	111.5	G378 C475 L476 L477 T482 A483	G378-T479 WeakPolarHBondContact CA-OG1 3.21Å; C475-T479 WeakPolarHBondContact O-CB 3.21Å; C475-T479 PolarHBondContact O-N 2.91Å; C475-T479 PolarHBondContact O-OG1 2.92Å; L476-T479 WeakPolarHBondContact O-CB 3.31Å; L476-T479 PolarHBondContact O-N 2.96Å; L477-T479 PolarHBondContact O-N 3.46Å; T479-T482 PolarHBondContact O-N 3.28Å; T479-A483 VanDerWaalsContact O-CB 3.29Å; T479-A483 WeakPolarHBondContact O-CB 3.44Å; T479-A483 PolarHBondContact O-N 3.07Å
480	L	95.3	Very high	91.8	Very high	26 Å²	26	21 Å²	21	14%	0.136	12%	0.123	C	C	.	.	H	α-helix	trans	-66.5	-44.5	178.9	-179.7	54.4	0	0	0	111.9	M186 T190 L476 L477 T482 A483 I484 V504	M186-L480 HydrophobicContact CG-CD1 3.67Å; M186-L480 HydrophobicContact SD-CD1 4.07Å; T190-L480 HydrophobicContact CG2-CD2 4.2Å; L476-L480 PolarHBondContact O-N 3.05Å; L477-L480 PolarHBondContact O-N 3Å; L480-T482 PolarHBondContact O-N 3.44Å; L480-A483 PolarHBondContact O-N 2.86Å; L480-I484 HydrophobicContact CD1-CD1 4Å; L480-I484 HydrophobicContact CD1-CG1 4.41Å; L480-I484 HydrophobicContact CG-CD1 4.17Å; L480-I484 WeakPolarHBondContact O-CG1 3.26Å; L480-I484 PolarHBondContact O-N 3.47Å; L480-I484 VanDerWaalsContact O-N 3.07Å; L480-V504 HydrophobicContact CB-CG1 4.49Å; L480-V504 HydrophobicContact CD2-CG1 3.44Å; L480-V504 VanDerWaalsContact CD2-CG1 3.44Å; L480-V504 HydrophobicContact CG-CG1 3.85Å
481	V	94.3	Very high	90.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-45.6	175.5	173.2	0	0	0	0	110.8	L477 I484 V485 K497 V500 T501 V504	L477-V481 HydrophobicContact CD1-CG2 4.23Å; L477-V481 HydrophobicContact CG-CG2 4.29Å; L477-V481 WeakPolarHBondContact O-CG2 3.4Å; L477-V481 PolarHBondContact O-N 2.95Å; V481-I484 PolarHBondContact O-N 2.94Å; V481-V485 HydrophobicContact CG1-CG2 4.17Å; V481-V485 WeakPolarHBondContact O-CB 3.4Å; V481-V485 WeakPolarHBondContact O-CG2 3.5Å; V481-V485 PolarHBondContact O-N 3.15Å; V481-K497 HydrophobicContact CG1-CD 4.38Å; V481-K497 HydrophobicContact CG1-CG 4.03Å; V481-V500 HydrophobicContact CG1-CB 4.48Å; V481-V500 HydrophobicContact CG1-CG1 4.26Å; V481-T501 HydrophobicContact CG2-CG2 4.36Å; V481-V504 HydrophobicContact CG2-CB 4.22Å; V481-V504 HydrophobicContact CG2-CG2 4.15Å
482	T	92.8	Very high	90	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-36.5	-179.4	-55.9	0	0	0	0	111.9	R100 T381 Y385 E478 T479 L480 V485 D486	R100-T482 VanDerWaalsContact NH2-CG2 3.33Å; T381-T482 HydrophobicContact CG2-CG2 3.94Å; Y385-T482 PolarHBondContact OH-OG1 3.24Å; Y385-T482 VanDerWaalsContact OH-OG1 3.11Å; E478-T482 WeakPolarHBondContact O-CB 3.38Å; E478-T482 PolarHBondContact O-N 3.45Å; E478-T482 PolarHBondContact O-OG1 2.91Å; T479-T482 PolarHBondContact O-N 3.28Å; L480-T482 PolarHBondContact O-N 3.44Å; T482-V485 PolarHBondContact O-N 3.18Å; T482-D486 WeakPolarHBondContact O-CB 3.34Å; T482-D486 PolarHBondContact O-N 2.93Å
483	A	92.6	Very high	89.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-45	172.8	0	0	0	0	0	111.8	L169 M186 T479 L480 E487	L169-A483 HydrophobicContact CD1-CB 3.89Å; L169-A483 HydrophobicContact CG-CB 4.21Å; M186-A483 HydrophobicContact CG-CB 4.12Å; M186-A483 HydrophobicContact SD-CB 3.84Å; T479-A483 VanDerWaalsContact O-CB 3.29Å; T479-A483 WeakPolarHBondContact O-CB 3.44Å; T479-A483 PolarHBondContact O-N 3.07Å; L480-A483 PolarHBondContact O-N 2.86Å; A483-E487 WeakPolarHBondContact O-CB 3.34Å; A483-E487 PolarHBondContact O-N 3.07Å; A483-E487 VanDerWaalsContact O-N 3.17Å
484	I	91.6	Very high	88.2	Confident	58 Å²	58	40.2 Å²	40.2	30%	0.297	21%	0.207	S	C	.	.	H	α-helix	trans	-66.1	-46.4	177.2	-66.2	164.1	0	0	0	111.1	L480 V481 V488 V500 V504	L480-I484 HydrophobicContact CD1-CD1 4Å; L480-I484 HydrophobicContact CD1-CG1 4.41Å; L480-I484 HydrophobicContact CG-CD1 4.17Å; L480-I484 WeakPolarHBondContact O-CG1 3.26Å; L480-I484 PolarHBondContact O-N 3.47Å; L480-I484 VanDerWaalsContact O-N 3.07Å; V481-I484 PolarHBondContact O-N 2.94Å; I484-V488 WeakPolarHBondContact O-CG2 3.35Å; I484-V488 PolarHBondContact O-N 3.41Å; I484-V488 VanDerWaalsContact O-N 3.08Å; I484-V500 HydrophobicContact CG2-CG1 4.08Å; I484-V504 HydrophobicContact CD1-CG2 3.8Å
485	V	90.1	Very high	87.4	Confident	8 Å²	8	47.4 Å²	47.4	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-47	-177.7	170.9	0	0	0	0	111.8	V481 T482 E487 G489 I493 L494 K497 V500	V481-V485 HydrophobicContact CG1-CG2 4.17Å; V481-V485 WeakPolarHBondContact O-CB 3.4Å; V481-V485 WeakPolarHBondContact O-CG2 3.5Å; V481-V485 PolarHBondContact O-N 3.15Å; T482-V485 PolarHBondContact O-N 3.18Å; V485-E487 VanDerWaalsContact C-N 3.32Å; V485-E487 PolarHBondContact O-N 3.35Å; V485-G489 PolarHBondContact O-N 3.21Å; V485-G489 VanDerWaalsContact O-N 3.14Å; V485-I493 HydrophobicContact CB-CG2 4.25Å; V485-I493 HydrophobicContact CG1-CG2 4.31Å; V485-I493 HydrophobicContact CG2-CG2 3.85Å; V485-L494 HydrophobicContact CG1-CD2 3.6Å; V485-L494 HydrophobicContact CG1-CG 4.43Å; V485-K497 HydrophobicContact CG2-CG 4.37Å; V485-V500 HydrophobicContact CG2-CB 4.47Å; V485-V500 HydrophobicContact CG2-CG1 4.32Å; V485-V500 HydrophobicContact CG2-CG2 4.34Å
486	D	87.1	Confident	86.9	Confident	36 Å²	36	51.4 Å²	51.4	19%	0.193	26%	0.258	C	S	.	.	H	α-helix	trans	-68.4	-28.8	-179.7	-76.7	-4.2	0	0	0	112.4	R100 G167 T482	R100-D486 IonicContact CZ-OD1 2.7Å; R100-D486 IonicContact CZ-OD2 2.7Å; R100-D486 VanDerWaalsContact NH1-CG 3.31Å; R100-D486 IonicContact NH1-OD1 3.63Å; R100-D486 PolarHBondContact NH1-OD1 3.28Å; R100-D486 IonicContact NH1-OD2 3.3Å; R100-D486 PolarHBondContact NH1-OD2 3.48Å; R100-D486 IonicContact NH2-OD1 2.7Å; R100-D486 IonicContact NH2-OD2 2.67Å; R100-D486 PolarHBondContact NH2-OD2 2.91Å; G167-D486 WeakPolarHBondContact CA-OD2 3.33Å; G167-D486 PolarHBondContact N-OD2 3.34Å; T482-D486 WeakPolarHBondContact O-CB 3.34Å; T482-D486 PolarHBondContact O-N 2.93Å
487	E	87.7	Confident	86.5	Confident	67 Å²	67	53.4 Å²	53.4	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-85.5	-40	-177.8	-171.7	64.1	-173.8	0	0	113.4	L169 K179 Y183 A483 V485	L169-E487 HydrophobicContact CD1-CB 3.99Å; L169-E487 HydrophobicContact CD1-CG 4.23Å; K179-E487 VanDerWaalsContact CE-OE2 3.31Å; K179-E487 WeakPolarHBondContact CE-OE2 3.4Å; K179-E487 IonicContact NZ-OE1 3.55Å; K179-E487 PolarHBondContact NZ-OE1 3.12Å; K179-E487 IonicContact NZ-OE2 2.64Å; K179-E487 PolarHBondContact NZ-OE2 3.28Å; Y183-E487 PolarHBondContact OH-OE1 2.66Å; Y183-E487 VanDerWaalsContact OH-OE1 3.14Å; A483-E487 WeakPolarHBondContact O-CB 3.34Å; A483-E487 PolarHBondContact O-N 3.07Å; A483-E487 VanDerWaalsContact O-N 3.17Å; V485-E487 VanDerWaalsContact C-N 3.32Å; V485-E487 PolarHBondContact O-N 3.35Å
488	V	86.4	Confident	86.3	Confident	74 Å²	74	55.8 Å²	55.8	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-78.2	-31.5	178.3	-172.4	0	0	0	0	111.3	I484 N490 I493	I484-V488 WeakPolarHBondContact O-CG2 3.35Å; I484-V488 PolarHBondContact O-N 3.41Å; I484-V488 VanDerWaalsContact O-N 3.08Å; V488-N490 PolarHBondContact O-N 2.91Å; V488-I493 HydrophobicContact CB-CD1 3.72Å; V488-I493 HydrophobicContact CG1-CD1 3.4Å; V488-I493 VanDerWaalsContact CG1-CD1 3.4Å; V488-I493 HydrophobicContact CG2-CD1 4.33Å
489	G	77.6	Confident	86.2	Confident	42 Å²	42	63.1 Å²	63.1	43%	0.433	31%	0.31	S	S	.	.			trans	66.2	-9.5	166.8	0	0	0	0	0	117.6	V485	V485-G489 PolarHBondContact O-N 3.21Å; V485-G489 VanDerWaalsContact O-N 3.14Å
490	N	78.1	Confident	86.1	Confident	102 Å²	102	64.2 Å²	64.2	55%	0.545	32%	0.317	S	S	.	.			trans	-61.2	136.1	-179.9	-77.8	-12.9	0	0	0	112	V488 W492 I493 L494	V488-N490 PolarHBondContact O-N 2.91Å; N490-W492 PolarHBondContact O-N 3.28Å; N490-W492 VanDerWaalsContact O-N 3.16Å; N490-I493 HydrophobicContact CB-CG1 4.37Å; N490-I493 WeakPolarHBondContact O-CB 3.32Å; N490-I493 PolarHBondContact O-N 3.3Å; N490-L494 PolarHBondContact O-N 2.96Å; N490-L494 VanDerWaalsContact O-N 3.13Å
491	E	75.4	Confident	86.1	Confident	145 Å²	145	63 Å²	63	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-56.4	-35.8	-178.8	-60.6	-165.3	143.6	0	0	113.2	I493 L494 Q495	E491-I493 VanDerWaalsContact C-N 3.34Å; E491-I493 PolarHBondContact O-N 3.06Å; E491-L494 PolarHBondContact O-N 3.1Å; E491-Q495 WeakPolarHBondContact O-CB 3.22Å; E491-Q495 WeakPolarHBondContact O-CG 3.46Å; E491-Q495 PolarHBondContact O-N 3.21Å
492	W	76.6	Confident	86.2	Confident	173 Å²	173	66.4 Å²	66.4	66%	0.655	33%	0.328	S	S	*	.	H	α-helix	trans	-59	-43.2	173.9	-178.8	85.6	0	0	0	112.4	N490 Q495 K496	N490-W492 PolarHBondContact O-N 3.28Å; N490-W492 VanDerWaalsContact O-N 3.16Å; W492-Q495 PolarHBondContact O-N 3.09Å; W492-K496 HydrophobicContact CD2-CG 4.43Å; W492-K496 HydrophobicContact CZ2-CG 4.49Å; W492-K496 WeakPolarHBondContact O-CB 3.33Å; W492-K496 VanDerWaalsContact O-CG 3.26Å; W492-K496 WeakPolarHBondContact O-CG 3.5Å; W492-K496 PolarHBondContact O-N 3.42Å
493	I	80	Confident	86.3	Confident	22 Å²	22	68.3 Å²	68.3	11%	0.113	35%	0.348	C	S	.	.	H	α-helix	trans	-68.4	-41.2	179.6	-68.7	-174.5	0	0	0	110.6	V485 V488 N490 E491 K496 K497 V500	V485-I493 HydrophobicContact CB-CG2 4.25Å; V485-I493 HydrophobicContact CG1-CG2 4.31Å; V485-I493 HydrophobicContact CG2-CG2 3.85Å; V488-I493 HydrophobicContact CB-CD1 3.72Å; V488-I493 HydrophobicContact CG1-CD1 3.4Å; V488-I493 VanDerWaalsContact CG1-CD1 3.4Å; V488-I493 HydrophobicContact CG2-CD1 4.33Å; N490-I493 HydrophobicContact CB-CG1 4.37Å; N490-I493 WeakPolarHBondContact O-CB 3.32Å; N490-I493 PolarHBondContact O-N 3.3Å; E491-I493 VanDerWaalsContact C-N 3.34Å; E491-I493 PolarHBondContact O-N 3.06Å; I493-K496 CarbonylContact O-C 3.59Å; I493-K496 PolarHBondContact O-N 3.2Å; I493-K497 PolarHBondContact O-N 3.22Å; I493-V500 HydrophobicContact CG2-CG2 4.08Å
494	L	74.7	Confident	86.5	Confident	79 Å²	79	69.2 Å²	69.2	41%	0.414	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-46.4	176	-69.5	164	0	0	0	111.4	V485 N490 E491 K496	V485-L494 HydrophobicContact CG1-CD2 3.6Å; V485-L494 HydrophobicContact CG1-CG 4.43Å; N490-L494 PolarHBondContact O-N 2.96Å; N490-L494 VanDerWaalsContact O-N 3.13Å; E491-L494 PolarHBondContact O-N 3.1Å; L494-K496 VanDerWaalsContact C-N 3.33Å; L494-K496 PolarHBondContact O-N 2.83Å
495	Q	78.6	Confident	86.8	Confident	153 Å²	153	66.7 Å²	66.7	72%	0.715	34%	0.341	S	S	*	.	H	α-helix	trans	-71.2	-23.7	177	-69.2	-177.5	10.4	0	0	113.9	E491 W492	E491-Q495 WeakPolarHBondContact O-CB 3.22Å; E491-Q495 WeakPolarHBondContact O-CG 3.46Å; E491-Q495 PolarHBondContact O-N 3.21Å; W492-Q495 PolarHBondContact O-N 3.09Å
496	K	84.9	Confident	87.1	Confident	84 Å²	84	69.9 Å²	69.9	37%	0.365	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	24.9	-175.8	-59.1	-62.1	-178.4	-176.8	0	113.4	W492 I493 L494 T498 Y499	W492-K496 HydrophobicContact CD2-CG 4.43Å; W492-K496 HydrophobicContact CZ2-CG 4.49Å; W492-K496 WeakPolarHBondContact O-CB 3.33Å; W492-K496 VanDerWaalsContact O-CG 3.26Å; W492-K496 WeakPolarHBondContact O-CG 3.5Å; W492-K496 PolarHBondContact O-N 3.42Å; I493-K496 CarbonylContact O-C 3.59Å; I493-K496 PolarHBondContact O-N 3.2Å; L494-K496 VanDerWaalsContact C-N 3.33Å; L494-K496 PolarHBondContact O-N 2.83Å; K496-T498 PolarHBondContact O-N 2.85Å; K496-Y499 HydrophobicContact CB-CD2 3.97Å; K496-Y499 HydrophobicContact CD-CD2 4.05Å; K496-Y499 HydrophobicContact CD-CE2 4.01Å; K496-Y499 HydrophobicContact CG-CD2 4.48Å; K496-Y499 WeakPolarHBondContact O-CB 3.43Å; K496-Y499 PolarHBondContact O-N 3.46Å
497	K	87.4	Confident	87.6	Confident	45 Å²	45	70.2 Å²	70.2	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-44.5	-40.9	179.8	177.5	169.1	171.2	171.4	0	113.8	Y385 E478 V481 V485 I493 Y499 V500 T501	Y385-K497 PolarHBondContact OH-NZ 2.71Å; E478-K497 VanDerWaalsContact CD-NZ 3.26Å; E478-K497 IonicContact OE1-NZ 2.61Å; E478-K497 PolarHBondContact OE1-NZ 3.38Å; E478-K497 WeakPolarHBondContact OE2-CE 3.44Å; E478-K497 IonicContact OE2-NZ 2.65Å; E478-K497 PolarHBondContact OE2-NZ 3.45Å; V481-K497 HydrophobicContact CG1-CD 4.38Å; V481-K497 HydrophobicContact CG1-CG 4.03Å; V485-K497 HydrophobicContact CG2-CG 4.37Å; I493-K497 PolarHBondContact O-N 3.22Å; K497-Y499 VanDerWaalsContact C-N 3.28Å; K497-Y499 PolarHBondContact O-N 2.94Å; K497-V500 WeakPolarHBondContact O-CA 3.46Å; K497-V500 WeakPolarHBondContact O-CB 3.39Å; K497-V500 PolarHBondContact O-N 3.39Å; K497-T501 PolarHBondContact O-N 3.11Å; K497-T501 PolarHBondContact O-OG1 3.47Å
498	T	91.5	Very high	88.1	Confident	55 Å²	55	67.4 Å²	67.4	34%	0.337	36%	0.357	S	S	.	.	H	α-helix	trans	-56.7	-36	177.1	-53.3	0	0	0	0	113.9	F302 I306 K496 T501 L502	F302-T498 HydrophobicContact CE2-CG2 4.31Å; F302-T498 HydrophobicContact CZ-CG2 4.24Å; I306-T498 HydrophobicContact CG1-CG2 3.6Å; I306-T498 WeakPolarHBondContact O-CG2 3.27Å; I306-T498 PolarHBondContact O-OG1 2.78Å; K496-T498 PolarHBondContact O-N 2.85Å; T498-T501 PolarHBondContact O-N 3.13Å; T498-L502 PolarHBondContact O-N 2.85Å
499	Y	92.3	Very high	88.6	Confident	155 Å²	155	66.5 Å²	66.5	61%	0.608	35%	0.347	S	S	*	.	H	α-helix	trans	-72.6	-31.4	175.5	-69.1	-87.8	0	0	0	112	K496 K497 L502 G503	K496-Y499 HydrophobicContact CB-CD2 3.97Å; K496-Y499 HydrophobicContact CD-CD2 4.05Å; K496-Y499 HydrophobicContact CD-CE2 4.01Å; K496-Y499 HydrophobicContact CG-CD2 4.48Å; K496-Y499 WeakPolarHBondContact O-CB 3.43Å; K496-Y499 PolarHBondContact O-N 3.46Å; K497-Y499 VanDerWaalsContact C-N 3.28Å; K497-Y499 PolarHBondContact O-N 2.94Å; Y499-L502 PolarHBondContact O-N 3.16Å; Y499-G503 PolarHBondContact O-N 3.38Å
500	V	93.5	Very high	89.6	Confident	24 Å²	24	69.4 Å²	69.4	15%	0.145	35%	0.352	C	S	.	.	H	α-helix	trans	-65.8	-47.7	170.6	-172.6	0	0	0	0	109.7	V481 I484 V485 I493 K497 L502 G503 V504	V481-V500 HydrophobicContact CG1-CB 4.48Å; V481-V500 HydrophobicContact CG1-CG1 4.26Å; I484-V500 HydrophobicContact CG2-CG1 4.08Å; V485-V500 HydrophobicContact CG2-CB 4.47Å; V485-V500 HydrophobicContact CG2-CG1 4.32Å; V485-V500 HydrophobicContact CG2-CG2 4.34Å; I493-V500 HydrophobicContact CG2-CG2 4.08Å; K497-V500 WeakPolarHBondContact O-CA 3.46Å; K497-V500 WeakPolarHBondContact O-CB 3.39Å; K497-V500 PolarHBondContact O-N 3.39Å; V500-L502 VanDerWaalsContact C-N 3.28Å; V500-L502 PolarHBondContact O-N 3.08Å; V500-G503 PolarHBondContact O-N 3.33Å; V500-G503 VanDerWaalsContact O-N 3.15Å; V500-V504 HydrophobicContact CG1-CG2 4.27Å; V500-V504 WeakPolarHBondContact O-CG2 3.37Å; V500-V504 PolarHBondContact O-N 3.44Å
501	T	94.8	Very high	90.5	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-42.4	175	-49.3	0	0	0	0	111.7	F302 L305 L477 V481 K497 T498 A505	F302-T501 HydrophobicContact CD2-CG2 4.16Å; L305-T501 HydrophobicContact CB-CG2 4.04Å; L477-T501 HydrophobicContact CD2-CG2 4.11Å; V481-T501 HydrophobicContact CG2-CG2 4.36Å; K497-T501 PolarHBondContact O-N 3.11Å; K497-T501 PolarHBondContact O-OG1 3.47Å; T498-T501 PolarHBondContact O-N 3.13Å; T501-A505 VanDerWaalsContact O-CB 3.29Å; T501-A505 WeakPolarHBondContact O-CB 3.23Å; T501-A505 PolarHBondContact O-N 2.88Å
502	L	96.4	Very high	91.5	Very high	71 Å²	71	62.3 Å²	62.3	37%	0.372	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-48.3	174.9	-177.3	60.6	0	0	0	111.7	F302 T498 Y499 V500 V504 A505 V506	F302-L502 HydrophobicContact CD1-CD1 4.38Å; F302-L502 HydrophobicContact CD2-CB 4.14Å; F302-L502 HydrophobicContact CD2-CD1 4.09Å; F302-L502 HydrophobicContact CE1-CD1 4.23Å; F302-L502 HydrophobicContact CE2-CB 3.59Å; F302-L502 HydrophobicContact CE2-CD1 3.96Å; F302-L502 HydrophobicContact CE2-CG 4.33Å; F302-L502 HydrophobicContact CG-CD1 4.31Å; F302-L502 HydrophobicContact CZ-CB 4.14Å; F302-L502 HydrophobicContact CZ-CD1 4.03Å; T498-L502 PolarHBondContact O-N 2.85Å; Y499-L502 PolarHBondContact O-N 3.16Å; V500-L502 VanDerWaalsContact C-N 3.28Å; V500-L502 PolarHBondContact O-N 3.08Å; L502-V504 PolarHBondContact O-N 3.49Å; L502-A505 PolarHBondContact O-N 3.44Å; L502-V506 HydrophobicContact CD1-CG2 4.25Å; L502-V506 WeakPolarHBondContact O-CG2 3.36Å; L502-V506 PolarHBondContact O-N 3.1Å
503	G	96	Very high	92.4	Very high	41 Å²	41	56.2 Å²	56.2	42%	0.423	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-42.3	179.4	0	0	0	0	0	112.9	Y499 V500 V506 A507	Y499-G503 PolarHBondContact O-N 3.38Å; V500-G503 PolarHBondContact O-N 3.33Å; V500-G503 VanDerWaalsContact O-N 3.15Å; G503-V506 PolarHBondContact O-N 2.96Å; G503-A507 WeakPolarHBondContact O-CB 3.43Å; G503-A507 PolarHBondContact O-N 3.14Å
504	V	95.8	Very high	93.2	Very high	19 Å²	19	57.8 Å²	57.8	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-69	-38.5	176.2	-177.4	0	0	0	0	111.3	L477 L480 V481 I484 V500 L502 A507 G508	L477-V504 HydrophobicContact CD1-CB 3.94Å; L477-V504 HydrophobicContact CD1-CG1 3.33Å; L480-V504 HydrophobicContact CB-CG1 4.49Å; L480-V504 HydrophobicContact CD2-CG1 3.44Å; L480-V504 VanDerWaalsContact CD2-CG1 3.44Å; L480-V504 HydrophobicContact CG-CG1 3.85Å; V481-V504 HydrophobicContact CG2-CB 4.22Å; V481-V504 HydrophobicContact CG2-CG2 4.15Å; I484-V504 HydrophobicContact CD1-CG2 3.8Å; V500-V504 HydrophobicContact CG1-CG2 4.27Å; V500-V504 WeakPolarHBondContact O-CG2 3.37Å; V500-V504 PolarHBondContact O-N 3.44Å; L502-V504 PolarHBondContact O-N 3.49Å; V504-A507 PolarHBondContact O-N 3.29Å; V504-G508 PolarHBondContact O-N 3.14Å
505	A	97.1	Very high	94.2	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-40.2	174.8	0	0	0	0	0	112.5	W298 F302 L477 T501 L502 G508 F509	W298-A505 HydrophobicContact CE3-CB 3.86Å; W298-A505 HydrophobicContact CZ3-CB 4.32Å; F302-A505 HydrophobicContact CB-CB 4.24Å; L477-A505 HydrophobicContact CD2-CB 4.43Å; T501-A505 VanDerWaalsContact O-CB 3.29Å; T501-A505 WeakPolarHBondContact O-CB 3.23Å; T501-A505 PolarHBondContact O-N 2.88Å; L502-A505 PolarHBondContact O-N 3.44Å; A505-G508 PolarHBondContact O-N 2.88Å; A505-F509 PolarHBondContact O-N 2.99Å
506	V	97.8	Very high	95.1	Very high	75 Å²	75	47.6 Å²	47.6	46%	0.455	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-43	174.1	170.9	0	0	0	0	111	L502 G503 G508 F509 L510	L502-V506 HydrophobicContact CD1-CG2 4.25Å; L502-V506 WeakPolarHBondContact O-CG2 3.36Å; L502-V506 PolarHBondContact O-N 3.1Å; G503-V506 PolarHBondContact O-N 2.96Å; V506-G508 PolarHBondContact O-N 3.15Å; V506-F509 WeakPolarHBondContact O-CB 3.43Å; V506-F509 PolarHBondContact O-N 3.27Å; V506-L510 HydrophobicContact CG1-CD1 4.22Å; V506-L510 WeakPolarHBondContact O-CG 3.33Å; V506-L510 PolarHBondContact O-N 3.5Å
507	A	97.6	Very high	95.7	Very high	44 Å²	44	43.7 Å²	43.7	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-44	174.3	0	0	0	0	0	111.7	G503 V504 F509 L510 L511	G503-A507 WeakPolarHBondContact O-CB 3.43Å; G503-A507 PolarHBondContact O-N 3.14Å; V504-A507 PolarHBondContact O-N 3.29Å; A507-F509 VanDerWaalsContact C-N 3.34Å; A507-F509 PolarHBondContact O-N 3.47Å; A507-L510 PolarHBondContact O-N 3.1Å; A507-L511 WeakPolarHBondContact O-CB 3.47Å; A507-L511 VanDerWaalsContact O-CG 3.26Å; A507-L511 WeakPolarHBondContact O-CG 3.39Å; A507-L511 PolarHBondContact O-N 3.28Å
508	G	96.8	Very high	96.1	Very high	7 Å²	7	43.4 Å²	43.4	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-34.9	175.1	0	0	0	0	0	113.6	W298 V504 A505 V506 G512	W298-G508 VanDerWaalsContact CZ2-C 3.42Å; W298-G508 VanDerWaalsContact CZ2-CA 3.45Å; W298-G508 VanDerWaalsContact NE1-C 3.31Å; W298-G508 PolarHBondContact NE1-O 3.33Å; V504-G508 PolarHBondContact O-N 3.14Å; A505-G508 PolarHBondContact O-N 2.88Å; V506-G508 PolarHBondContact O-N 3.15Å; G508-G512 PolarHBondContact O-N 3.31Å
509	F	97.8	Very high	96.3	Very high	56 Å²	56	40.8 Å²	40.8	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-53	170.9	171.1	-99.6	0	0	0	111.1	L291 L294 W298 A505 V506 A507 L511 G512 I513	L291-F509 HydrophobicContact CD1-CE2 4.1Å; L291-F509 HydrophobicContact CD1-CZ 3.89Å; L294-F509 HydrophobicContact CB-CE2 4.49Å; L294-F509 HydrophobicContact CD2-CD2 4.18Å; L294-F509 HydrophobicContact CD2-CE2 4.33Å; L294-F509 HydrophobicContact CG-CD2 3.98Å; L294-F509 HydrophobicContact CG-CE2 4.26Å; W298-F509 HydrophobicContact CB-CB 4.34Å; W298-F509 VanDerWaalsContact CD1-CA 3.42Å; W298-F509 HydrophobicContact CG-CB 3.95Å; A505-F509 PolarHBondContact O-N 2.99Å; V506-F509 WeakPolarHBondContact O-CB 3.43Å; V506-F509 PolarHBondContact O-N 3.27Å; A507-F509 VanDerWaalsContact C-N 3.34Å; A507-F509 PolarHBondContact O-N 3.47Å; F509-L511 PolarHBondContact O-N 2.92Å; F509-G512 PolarHBondContact O-N 3.46Å; F509-I513 HydrophobicContact CE1-CD1 3.98Å; F509-I513 HydrophobicContact CE1-CG1 4.44Å; F509-I513 HydrophobicContact CZ-CD1 4.35Å; F509-I513 WeakPolarHBondContact O-CG1 3.39Å; F509-I513 PolarHBondContact O-N 3.47Å
510	L	98.1	Very high	96.4	Very high	102 Å²	102	33.4 Å²	33.4	53%	0.534	20%	0.198	S	C	.	.	H	α-helix	trans	-60.1	-42.9	-179.4	-66.9	172.8	0	0	0	112.3	V506 A507 G512 I513	V506-L510 HydrophobicContact CG1-CD1 4.22Å; V506-L510 WeakPolarHBondContact O-CG 3.33Å; V506-L510 PolarHBondContact O-N 3.5Å; A507-L510 PolarHBondContact O-N 3.1Å; L510-G512 VanDerWaalsContact C-N 3.26Å; L510-G512 PolarHBondContact O-N 2.97Å; L510-I513 HydrophobicContact CD2-CD1 4.06Å; L510-I513 PolarHBondContact O-N 3.27Å
511	L	96.8	Very high	96.4	Very high	98 Å²	98	32.4 Å²	32.4	51%	0.513	19%	0.192	S	C	.	.	H	α-helix	trans	-69.6	-21.2	176.3	-67.5	172	0	0	0	113.2	I194 A507 F509 P514	I194-L511 HydrophobicContact CD1-CB 3.92Å; I194-L511 HydrophobicContact CD1-CD1 3.8Å; I194-L511 HydrophobicContact CD1-CG 4.47Å; I194-L511 HydrophobicContact CG1-CB 4.14Å; I194-L511 HydrophobicContact CG2-CB 4.33Å; A507-L511 WeakPolarHBondContact O-CB 3.47Å; A507-L511 VanDerWaalsContact O-CG 3.26Å; A507-L511 WeakPolarHBondContact O-CG 3.39Å; A507-L511 PolarHBondContact O-N 3.28Å; F509-L511 PolarHBondContact O-N 2.92Å; L511-P514 WeakPolarHBondContact O-CD 3.48Å
512	G	96.8	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-81.6	-18.6	174.3	0	0	0	0	0	114.5	G508 F509 L510 L515	G508-G512 PolarHBondContact O-N 3.31Å; F509-G512 PolarHBondContact O-N 3.46Å; L510-G512 VanDerWaalsContact C-N 3.26Å; L510-G512 PolarHBondContact O-N 2.97Å; G512-L515 PolarHBondContact O-N 3.25Å; G512-L515 VanDerWaalsContact O-N 3.12Å
513	I	97	Very high	96.3	Very high	46 Å²	46	31.3 Å²	31.3	24%	0.236	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-55.4	-47.2	-177.5	-59.5	-178.9	0	0	0	112.6	V286 L291 F509 L510 L515 T516	V286-I513 HydrophobicContact CG1-CG2 4.34Å; V286-I513 HydrophobicContact CG2-CG2 4.28Å; L291-I513 HydrophobicContact CD1-CB 4.43Å; L291-I513 HydrophobicContact CD1-CD1 4.26Å; L291-I513 HydrophobicContact CD1-CG1 3.81Å; L291-I513 HydrophobicContact CD1-CG2 4.18Å; F509-I513 HydrophobicContact CE1-CD1 3.98Å; F509-I513 HydrophobicContact CE1-CG1 4.44Å; F509-I513 HydrophobicContact CZ-CD1 4.35Å; F509-I513 WeakPolarHBondContact O-CG1 3.39Å; F509-I513 PolarHBondContact O-N 3.47Å; L510-I513 HydrophobicContact CD2-CD1 4.06Å; L510-I513 PolarHBondContact O-N 3.27Å; I513-L515 PolarHBondContact O-N 2.87Å; I513-T516 PolarHBondContact O-N 3.38Å; I513-T516 PolarHBondContact O-OG1 3.21Å
514	P	95.8	Very high	96.2	Very high	54 Å²	54	29.6 Å²	29.6	35%	0.351	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-60.9	-28.8	-179.4	-22.5	34.6	0	0	0	113.4	F283 L511 T516 S517	F283-P514 HydrophobicContact CD1-CB 4.46Å; F283-P514 HydrophobicContact CE1-CB 3.83Å; L511-P514 WeakPolarHBondContact O-CD 3.48Å; P514-T516 PolarHBondContact O-N 2.94Å; P514-S517 VanDerWaalsContact O-CB 3.27Å; P514-S517 WeakPolarHBondContact O-CB 3.17Å; P514-S517 PolarHBondContact O-N 3.45Å; P514-S517 PolarHBondContact O-OG 3.44Å
515	L	96.3	Very high	96	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.089	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-78	-6.1	176.7	-76.1	73	0	0	0	113.1	V198 G512 I513 G520 W523 L524 M527	V198-L515 HydrophobicContact CB-CB 4.42Å; V198-L515 HydrophobicContact CG1-CB 4.13Å; V198-L515 HydrophobicContact CG2-CB 3.78Å; V198-L515 HydrophobicContact CG2-CD2 4.07Å; G512-L515 PolarHBondContact O-N 3.25Å; G512-L515 VanDerWaalsContact O-N 3.12Å; I513-L515 PolarHBondContact O-N 2.87Å; L515-G520 VanDerWaalsContact O-CA 3.29Å; L515-G520 WeakPolarHBondContact O-CA 3.36Å; L515-W523 HydrophobicContact CG-CB 4.29Å; L515-L524 HydrophobicContact CD2-CB 4.25Å; L515-M527 HydrophobicContact CD1-SD 4.14Å; L515-M527 HydrophobicContact CD2-SD 3.84Å; L515-M527 HydrophobicContact CG-SD 4.49Å
516	T	96.9	Very high	95.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-98	9	170.5	65.4	0	0	0	0	113.2	R287 L290 L294 I513 P514	R287-T516 VanDerWaalsContact CB-O 3.28Å; R287-T516 WeakPolarHBondContact CB-O 3.34Å; R287-T516 WeakPolarHBondContact CG-O 3.29Å; R287-T516 PolarHBondContact N-O 3.19Å; L290-T516 HydrophobicContact CB-CG2 4.26Å; L294-T516 HydrophobicContact CB-CG2 4.22Å; L294-T516 HydrophobicContact CD2-CG2 3.8Å; I513-T516 PolarHBondContact O-N 3.38Å; I513-T516 PolarHBondContact O-OG1 3.21Å; P514-T516 PolarHBondContact O-N 2.94Å
517	S	96.8	Very high	95.6	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.021	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-79.8	175.3	173.6	71.9	0	0	0	0	112.8	F283 E285 P514 A519 G520	F283-S517 WeakPolarHBondContact CD1-OG 3.41Å; F283-S517 VanDerWaalsContact O-CB 3.3Å; F283-S517 WeakPolarHBondContact O-CB 3.33Å; E285-S517 WeakPolarHBondContact O-CA 3.45Å; P514-S517 VanDerWaalsContact O-CB 3.27Å; P514-S517 WeakPolarHBondContact O-CB 3.17Å; P514-S517 PolarHBondContact O-N 3.45Å; P514-S517 PolarHBondContact O-OG 3.44Å; S517-A519 VanDerWaalsContact C-N 3.25Å; S517-A519 PolarHBondContact O-N 3.26Å; S517-A519 PolarHBondContact OG-N 3.05Å; S517-G520 WeakPolarHBondContact O-CA 3.21Å; S517-G520 PolarHBondContact O-N 3.28Å; S517-G520 PolarHBondContact OG-N 2.93Å
518	Q	96.4	Very high	95.1	Very high	38 Å²	38	25.9 Å²	25.9	18%	0.178	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.3	174.9	-66.8	-179.5	-89.5	0	0	112.9	K275 S277 F283 E285 G520	K275-Q518 HydrophobicContact CB-CG 4.17Å; K275-Q518 VanDerWaalsContact O-CB 3.3Å; K275-Q518 WeakPolarHBondContact O-CB 3.31Å; K275-Q518 WeakPolarHBondContact O-CG 3.28Å; K275-Q518 PolarHBondContact O-NE2 2.62Å; S277-Q518 PolarHBondContact N-O 3.3Å; F283-Q518 PolarHBondContact O-N 2.91Å; F283-Q518 VanDerWaalsContact O-N 3.09Å; E285-Q518 PolarHBondContact O-N 3.02Å; Q518-G520 VanDerWaalsContact C-N 3.29Å
519	A	95.3	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.6	170.5	0	0	0	0	0	113.7	S277 F283 S517 I521 Y522 W523	S277-A519 WeakPolarHBondContact OG-CA 3.48Å; S277-A519 WeakPolarHBondContact OG-CB 3.41Å; S277-A519 PolarHBondContact OG-N 3.03Å; F283-A519 PolarHBondContact O-N 2.99Å; S517-A519 VanDerWaalsContact C-N 3.25Å; S517-A519 PolarHBondContact O-N 3.26Å; S517-A519 PolarHBondContact OG-N 3.05Å; A519-I521 VanDerWaalsContact C-N 3.28Å; A519-I521 PolarHBondContact O-N 2.85Å; A519-I521 VanDerWaalsContact O-N 3.15Å; A519-Y522 HydrophobicContact CB-CD2 4.25Å; A519-Y522 WeakPolarHBondContact O-CB 3.34Å; A519-Y522 PolarHBondContact O-N 2.93Å; A519-W523 PolarHBondContact O-N 3.03Å
520	G	95.1	Very high	94.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-35.1	-164.9	0	0	0	0	0	114.6	L515 S517 Q518 W523 L524	L515-G520 VanDerWaalsContact O-CA 3.29Å; L515-G520 WeakPolarHBondContact O-CA 3.36Å; S517-G520 WeakPolarHBondContact O-CA 3.21Å; S517-G520 PolarHBondContact O-N 3.28Å; S517-G520 PolarHBondContact OG-N 2.93Å; Q518-G520 VanDerWaalsContact C-N 3.29Å; G520-W523 PolarHBondContact O-N 3.37Å; G520-L524 WeakPolarHBondContact O-CB 3.37Å; G520-L524 PolarHBondContact O-N 2.83Å
521	I	92.9	Very high	93.6	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-66.9	-35.3	177.1	-167.9	58.9	0	0	0	112.7	W269 L274 L276 A519 L524 L525 Y600	W269-I521 HydrophobicContact CZ2-CD1 3.96Å; W269-I521 HydrophobicContact CZ2-CG1 4.35Å; L274-I521 HydrophobicContact CD1-CB 3.94Å; L274-I521 HydrophobicContact CD1-CG1 4.28Å; L274-I521 HydrophobicContact CD1-CG2 3.86Å; L274-I521 HydrophobicContact CD2-CB 4.45Å; L276-I521 HydrophobicContact CD1-CG2 3.39Å; A519-I521 VanDerWaalsContact C-N 3.28Å; A519-I521 PolarHBondContact O-N 2.85Å; A519-I521 VanDerWaalsContact O-N 3.15Å; I521-L524 HydrophobicContact CD1-CD1 4.47Å; I521-L524 HydrophobicContact CD1-CD2 4.42Å; I521-L524 PolarHBondContact O-N 3.46Å; I521-L525 HydrophobicContact CD1-CD1 4.34Å; I521-L525 HydrophobicContact CD1-CG 4.29Å; I521-L525 HydrophobicContact CG1-CD1 4.02Å; I521-L525 HydrophobicContact CG1-CG 4.42Å; I521-L525 WeakPolarHBondContact O-CB 3.3Å; I521-L525 VanDerWaalsContact O-CG 3.27Å; I521-L525 WeakPolarHBondContact O-CG 3.34Å; I521-L525 PolarHBondContact O-N 3.47Å; I521-Y600 HydrophobicContact CG1-CE2 4.24Å; I521-Y600 HydrophobicContact CG2-CE1 4.27Å
522	Y	94.6	Very high	92.6	Very high	10 Å²	10	16.6 Å²	16.6	4%	0.039	9%	0.086	C	C	.	.	H	α-helix	trans	-66.1	-43.7	177.2	-59	-64.2	0	0	0	110.6	L276 S277 I280 A519 L525 L526 Y600 Y603 Y605	L276-Y522 HydrophobicContact CD1-CD2 4.39Å; L276-Y522 HydrophobicContact CD1-CE1 4.46Å; L276-Y522 HydrophobicContact CD1-CE2 3.7Å; L276-Y522 HydrophobicContact CG-CE2 4.33Å; S277-Y522 VanDerWaalsContact O-CE2 3.3Å; S277-Y522 WeakPolarHBondContact O-CE2 3.02Å; S277-Y522 PolarHBondContact O-OH 2.94Å; I280-Y522 HydrophobicContact CB-CD2 4.36Å; I280-Y522 HydrophobicContact CB-CG 4.29Å; A519-Y522 HydrophobicContact CB-CD2 4.25Å; A519-Y522 WeakPolarHBondContact O-CB 3.34Å; A519-Y522 PolarHBondContact O-N 2.93Å; Y522-L525 PolarHBondContact O-N 3.44Å; Y522-L526 WeakPolarHBondContact O-CB 3.36Å; Y522-L526 PolarHBondContact O-N 2.79Å; Y522-Y600 HydrophobicContact CD1-CD1 4.13Å; Y522-Y600 HydrophobicContact CD1-CG 4.48Å; Y522-Y600 AromaticContact CE1-CD1 3.65Å; Y522-Y600 HydrophobicContact CE1-CD1 3.65Å; Y522-Y600 HydrophobicContact CE1-CE1 4.4Å; Y522-Y600 HydrophobicContact CE1-CG 4.35Å; Y522-Y603 AromaticContact CD1-CD1 3.84Å; Y522-Y603 HydrophobicContact CD1-CD1 3.84Å; Y522-Y603 AromaticContact CD1-CE1 3.84Å; Y522-Y603 HydrophobicContact CD1-CE1 3.84Å; Y522-Y603 AromaticContact CE1-CD1 3.55Å; Y522-Y603 HydrophobicContact CE1-CD1 3.55Å; Y522-Y603 HydrophobicContact CE1-CD2 4.35Å; Y522-Y603 AromaticContact CE1-CE1 3.86Å; Y522-Y603 HydrophobicContact CE1-CE1 3.86Å; Y522-Y603 AromaticContact CE1-CG 3.81Å; Y522-Y603 HydrophobicContact CE1-CG 3.81Å; Y522-Y605 WeakPolarHBondContact CA-OH 3.39Å; Y522-Y605 WeakPolarHBondContact O-CE1 3.29Å; Y522-Y605 PolarHBondContact O-OH 3.4Å
523	W	95.3	Very high	91.6	Very high	38 Å²	38	18.5 Å²	18.5	14%	0.144	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-45.2	175.2	-74.9	99.3	0	0	0	112.1	I280 F283 L515 A519 G520 L525 L526 M527 W608 I612	I280-W523 HydrophobicContact CD1-CD2 4.01Å; I280-W523 HydrophobicContact CD1-CE3 4.42Å; I280-W523 HydrophobicContact CD1-CG 4.28Å; I280-W523 HydrophobicContact CD1-CZ2 4.35Å; I280-W523 HydrophobicContact CG1-CD2 4.03Å; I280-W523 HydrophobicContact CG1-CG 4.15Å; I280-W523 HydrophobicContact CG1-CZ2 4.03Å; I280-W523 VanDerWaalsContact CG1-NE1 3.33Å; I280-W523 PolarHBondContact O-NE1 2.73Å; F283-W523 AromaticContact CE1-CD1 3.77Å; F283-W523 HydrophobicContact CE1-CG 4.48Å; F283-W523 AromaticContact CE1-NE1 3.49Å; F283-W523 HydrophobicContact CE2-CZ2 4.04Å; F283-W523 AromaticContact CE2-NE1 3.76Å; F283-W523 AromaticContact CZ-CD1 3.94Å; F283-W523 HydrophobicContact CZ-CD2 4.31Å; F283-W523 AromaticContact CZ-CE2 3.45Å; F283-W523 VanDerWaalsContact CZ-CE2 3.45Å; F283-W523 AromaticContact CZ-CZ2 3.71Å; F283-W523 HydrophobicContact CZ-CZ2 3.71Å; F283-W523 AromaticContact CZ-NE1 3.2Å; L515-W523 HydrophobicContact CG-CB 4.29Å; A519-W523 PolarHBondContact O-N 3.03Å; G520-W523 PolarHBondContact O-N 3.37Å; W523-L525 VanDerWaalsContact C-N 3.34Å; W523-L525 PolarHBondContact O-N 3.12Å; W523-L526 HydrophobicContact CE3-CD2 4.12Å; W523-L526 HydrophobicContact CZ3-CD2 4.08Å; W523-L526 PolarHBondContact O-N 3.44Å; W523-M527 VanDerWaalsContact O-CG 3.29Å; W523-M527 WeakPolarHBondContact O-CG 3.42Å; W523-M527 PolarHBondContact O-N 2.92Å; W523-W608 HydrophobicContact CH2-CZ3 4.08Å; W523-W608 HydrophobicContact CZ2-CH2 4.15Å; W523-W608 HydrophobicContact CZ2-CZ3 4.15Å; W523-I612 HydrophobicContact CH2-CD1 4.11Å; W523-I612 HydrophobicContact CZ3-CG2 4.19Å
524	L	93.9	Very high	90.9	Very high	6 Å²	6	18 Å²	18	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-55.6	-48	176.1	-174.4	160.8	0	0	0	111.4	V198 V199 I202 L515 G520 I521 M527 D528	V198-L524 HydrophobicContact CB-CD1 4.29Å; V198-L524 HydrophobicContact CG1-CD1 3.99Å; V199-L524 HydrophobicContact CG2-CD1 3.89Å; V199-L524 HydrophobicContact CG2-CD2 4.2Å; V199-L524 HydrophobicContact CG2-CG 4.4Å; I202-L524 HydrophobicContact CD1-CD1 4.37Å; L515-L524 HydrophobicContact CD2-CB 4.25Å; G520-L524 WeakPolarHBondContact O-CB 3.37Å; G520-L524 PolarHBondContact O-N 2.83Å; I521-L524 HydrophobicContact CD1-CD1 4.47Å; I521-L524 HydrophobicContact CD1-CD2 4.42Å; I521-L524 PolarHBondContact O-N 3.46Å; L524-M527 PolarHBondContact O-N 3.12Å; L524-D528 WeakPolarHBondContact O-CB 3.11Å; L524-D528 PolarHBondContact O-N 3.17Å
525	L	91.6	Very high	90.5	Very high	16 Å²	16	15.4 Å²	15.4	8%	0.084	8%	0.079	C	C	.	.	H	α-helix	trans	-70.1	-35.8	179.9	-71.3	171.9	0	0	0	113	P437 I521 Y522 W523 D528 N529 I598 Y600 Y605	P437-L525 HydrophobicContact CG-CD2 4Å; I521-L525 HydrophobicContact CD1-CD1 4.34Å; I521-L525 HydrophobicContact CD1-CG 4.29Å; I521-L525 HydrophobicContact CG1-CD1 4.02Å; I521-L525 HydrophobicContact CG1-CG 4.42Å; I521-L525 WeakPolarHBondContact O-CB 3.3Å; I521-L525 VanDerWaalsContact O-CG 3.27Å; I521-L525 WeakPolarHBondContact O-CG 3.34Å; I521-L525 PolarHBondContact O-N 3.47Å; Y522-L525 PolarHBondContact O-N 3.44Å; W523-L525 VanDerWaalsContact C-N 3.34Å; W523-L525 PolarHBondContact O-N 3.12Å; L525-D528 PolarHBondContact O-N 3.04Å; L525-N529 WeakPolarHBondContact O-CB 3.32Å; L525-N529 PolarHBondContact O-N 3.03Å; L525-N529 PolarHBondContact O-ND2 3.31Å; L525-I598 HydrophobicContact CB-CD1 4Å; L525-I598 VanDerWaalsContact O-CD1 3.31Å; L525-I598 WeakPolarHBondContact O-CD1 3.3Å; L525-Y600 HydrophobicContact CD1-CD2 3.21Å; L525-Y600 HydrophobicContact CD1-CE2 3.64Å; L525-Y600 HydrophobicContact CD1-CG 3.93Å; L525-Y605 WeakPolarHBondContact CB-OH 3.28Å
526	L	93.2	Very high	90.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.9	-45.3	171.4	-172	72.2	0	0	0	110.9	I280 Y522 W523 Y530 I598 Y605	I280-L526 HydrophobicContact CD1-CD2 4.08Å; Y522-L526 WeakPolarHBondContact O-CB 3.36Å; Y522-L526 PolarHBondContact O-N 2.79Å; W523-L526 HydrophobicContact CE3-CD2 4.12Å; W523-L526 HydrophobicContact CZ3-CD2 4.08Å; W523-L526 PolarHBondContact O-N 3.44Å; L526-Y530 HydrophobicContact CD1-CD2 3.76Å; L526-Y530 HydrophobicContact CD1-CE2 3.78Å; L526-Y530 HydrophobicContact CG-CD2 4.4Å; L526-Y530 WeakPolarHBondContact O-CD2 3.45Å; L526-Y530 PolarHBondContact O-N 3.43Å; L526-Y530 VanDerWaalsContact O-N 3.08Å; L526-I598 HydrophobicContact CD1-CG2 4.24Å; L526-Y605 HydrophobicContact CB-CE1 4.15Å; L526-Y605 HydrophobicContact CD1-CD1 4.14Å; L526-Y605 HydrophobicContact CD1-CE1 4.3Å
527	M	92.7	Very high	89.7	Confident	16 Å²	16	15.1 Å²	15.1	8%	0.079	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-47.4	176.6	-65.4	-173.1	69.1	0	0	111.9	Y191 I194 Y195 L515 W523 L524 N529 Y530 A531 M616	Y191-M527 HydrophobicContact CD1-CE 4.02Å; Y191-M527 HydrophobicContact CG-CE 4.41Å; I194-M527 HydrophobicContact CB-CE 4.39Å; I194-M527 HydrophobicContact CG2-CE 4.43Å; Y195-M527 HydrophobicContact CD1-CB 3.62Å; Y195-M527 HydrophobicContact CD1-CE 4.31Å; Y195-M527 HydrophobicContact CE1-CB 4.27Å; Y195-M527 HydrophobicContact CG-CB 4.17Å; L515-M527 HydrophobicContact CD1-SD 4.14Å; L515-M527 HydrophobicContact CD2-SD 3.84Å; L515-M527 HydrophobicContact CG-SD 4.49Å; W523-M527 VanDerWaalsContact O-CG 3.29Å; W523-M527 WeakPolarHBondContact O-CG 3.42Å; W523-M527 PolarHBondContact O-N 2.92Å; L524-M527 PolarHBondContact O-N 3.12Å; M527-N529 VanDerWaalsContact C-N 3.33Å; M527-N529 PolarHBondContact O-N 2.76Å; M527-Y530 PolarHBondContact O-N 3.07Å; M527-A531 WeakPolarHBondContact O-CB 3.4Å; M527-A531 PolarHBondContact O-N 3.33Å; M527-M616 HydrophobicContact CB-CE 4.27Å; M527-M616 HydrophobicContact CE-CE 3.72Å; M527-M616 HydrophobicContact CG-CE 3.74Å; M527-M616 HydrophobicContact CG-SD 4.05Å; M527-M616 HydrophobicContact SD-CE 4.4Å
528	D	87.9	Confident	89.4	Confident	31 Å²	31	16.4 Å²	16.4	17%	0.166	9%	0.085	C	C	.	.	H	α-helix	trans	-57.9	-42.5	179	-177.5	71.8	0	0	0	112.3	R125 Y195 Y370 L524 L525	R125-D528 IonicContact NH1-OD2 2.86Å; Y195-D528 HydrophobicContact CD2-CB 4.36Å; Y195-D528 HydrophobicContact CE2-CB 3.83Å; Y195-D528 WeakPolarHBondContact CE2-OD1 3.39Å; Y195-D528 PolarHBondContact OH-OD1 2.81Å; Y370-D528 PolarHBondContact OH-OD1 2.59Å; L524-D528 WeakPolarHBondContact O-CB 3.11Å; L524-D528 PolarHBondContact O-N 3.17Å; L525-D528 PolarHBondContact O-N 3.04Å
529	N	86.7	Confident	89.3	Confident	65 Å²	65	14.6 Å²	14.6	35%	0.348	8%	0.077	S	C	.	.	H	α-helix	trans	-74.5	-44.8	-179	-79.8	-93.3	0	0	0	113.1	L525 M527 S533 I598	L525-N529 WeakPolarHBondContact O-CB 3.32Å; L525-N529 PolarHBondContact O-N 3.03Å; L525-N529 PolarHBondContact O-ND2 3.31Å; M527-N529 VanDerWaalsContact C-N 3.33Å; M527-N529 PolarHBondContact O-N 2.76Å; N529-S533 WeakPolarHBondContact O-CB 3.36Å; N529-S533 PolarHBondContact O-OG 3.23Å; N529-I598 HydrophobicContact CB-CD1 3.99Å; N529-I598 VanDerWaalsContact ND2-CD1 3.31Å; N529-I598 WeakPolarHBondContact ND2-CD1 3.37Å
530	Y	88.6	Confident	89.1	Confident	4 Å²	4	14.6 Å²	14.6	2%	0.016	8%	0.077	C	C	.	.	H	α-helix	trans	-98.7	-34.4	-169.9	-71.1	-91.4	0	0	0	115.4	L526 M527 A532 F534 Y595 I598 G613 F614 A617	L526-Y530 HydrophobicContact CD1-CD2 3.76Å; L526-Y530 HydrophobicContact CD1-CE2 3.78Å; L526-Y530 HydrophobicContact CG-CD2 4.4Å; L526-Y530 WeakPolarHBondContact O-CD2 3.45Å; L526-Y530 PolarHBondContact O-N 3.43Å; L526-Y530 VanDerWaalsContact O-N 3.08Å; M527-Y530 PolarHBondContact O-N 3.07Å; Y530-A532 VanDerWaalsContact C-N 3.25Å; Y530-A532 PolarHBondContact O-N 3.48Å; Y530-F534 HydrophobicContact CD1-CE2 4.43Å; Y530-Y595 AromaticContact CE1-CE2 3.99Å; Y530-Y595 HydrophobicContact CE1-CE2 3.99Å; Y530-Y595 PolarHBondContact OH-OH 3.32Å; Y530-I598 HydrophobicContact CE2-CB 4.26Å; Y530-I598 HydrophobicContact CE2-CG2 3.79Å; Y530-G613 WeakPolarHBondContact CB-O 3.44Å; Y530-F614 HydrophobicContact CE1-CD2 4.18Å; Y530-F614 HydrophobicContact CE1-CE1 4.34Å; Y530-F614 HydrophobicContact CE1-CE2 4.01Å; Y530-F614 HydrophobicContact CE1-CG 4.43Å; Y530-F614 HydrophobicContact CE1-CZ 4.09Å; Y530-A617 WeakPolarHBondContact O-CB 3.42Å
531	A	84	Confident	89	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-64.5	-32.4	-171	0	0	0	0	0	112.9	Y191 M527 S535 M616	Y191-A531 HydrophobicContact CD2-CB 3.86Å; Y191-A531 HydrophobicContact CG-CB 4.04Å; M527-A531 WeakPolarHBondContact O-CB 3.4Å; M527-A531 PolarHBondContact O-N 3.33Å; A531-S535 PolarHBondContact O-OG 2.53Å; A531-S535 VanDerWaalsContact O-OG 3.12Å; A531-M616 HydrophobicContact CB-CE 3.86Å
532	A	76.4	Confident	89.1	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-109.8	-49.8	-173.4	0	0	0	0	0	113.3	V188 I192 Y530 F534 S535 L536	V188-A532 HydrophobicContact CG1-CB 4.2Å; I192-A532 HydrophobicContact CD1-CB 3.97Å; I192-A532 HydrophobicContact CG1-CB 4.3Å; Y530-A532 VanDerWaalsContact C-N 3.25Å; Y530-A532 PolarHBondContact O-N 3.48Å; A532-F534 PolarHBondContact O-N 3.03Å; A532-S535 PolarHBondContact O-N 3.43Å; A532-L536 HydrophobicContact CB-CD1 3.8Å; A532-L536 HydrophobicContact CB-CG 4.37Å; A532-L536 WeakPolarHBondContact O-CB 3.25Å; A532-L536 WeakPolarHBondContact O-CG 3.45Å; A532-L536 PolarHBondContact O-N 3.17Å
533	S	76.7	Confident	89.2	Confident	40 Å²	40	17 Å²	17	28%	0.28	9%	0.091	S	C	.	.	H	α-helix	trans	-55.3	-49.1	-161.9	-50.2	0	0	0	0	114.7	N529 V537	N529-S533 WeakPolarHBondContact O-CB 3.36Å; N529-S533 PolarHBondContact O-OG 3.23Å; S533-V537 WeakPolarHBondContact O-CG2 3.33Å
534	F	82.1	Confident	89.2	Confident	35 Å²	35	15.2 Å²	15.2	15%	0.154	8%	0.084	C	C	.	.	H	α-helix	trans	-76.3	-46.6	177.7	-70.1	-82.7	0	0	0	112	Y530 A532 L536 V537 V538 T591 Y595 A617	Y530-F534 HydrophobicContact CD1-CE2 4.43Å; A532-F534 PolarHBondContact O-N 3.03Å; F534-L536 VanDerWaalsContact C-N 3.35Å; F534-L536 PolarHBondContact O-N 3.39Å; F534-V537 PolarHBondContact O-N 2.97Å; F534-V538 PolarHBondContact O-N 2.89Å; F534-T591 HydrophobicContact CD1-CG2 3.97Å; F534-T591 HydrophobicContact CE1-CG2 3.6Å; F534-T591 HydrophobicContact CZ-CG2 4.09Å; F534-Y595 HydrophobicContact CE2-CD2 4.33Å; F534-Y595 AromaticContact CZ-CD2 3.76Å; F534-Y595 HydrophobicContact CZ-CD2 3.76Å; F534-Y595 HydrophobicContact CZ-CE2 4.44Å; F534-Y595 HydrophobicContact CZ-CG 4.46Å; F534-A617 HydrophobicContact CB-CB 4.42Å
535	S	88.1	Confident	89.2	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.2	-46.6	-174.5	-47.1	0	0	0	0	112.4	A531 A532 V537 V538 I539 A617 S620	A531-S535 PolarHBondContact O-OG 2.53Å; A531-S535 VanDerWaalsContact O-OG 3.12Å; A532-S535 PolarHBondContact O-N 3.43Å; S535-V537 PolarHBondContact O-N 2.99Å; S535-V538 PolarHBondContact O-N 2.7Å; S535-I539 WeakPolarHBondContact O-CB 3.44Å; S535-I539 WeakPolarHBondContact O-CD1 3.39Å; S535-I539 WeakPolarHBondContact O-CG1 3.45Å; S535-I539 PolarHBondContact O-N 2.98Å; S535-A617 PolarHBondContact OG-O 3.25Å; S535-S620 WeakPolarHBondContact CB-OG 3.33Å; S535-S620 PolarHBondContact OG-OG 2.9Å
536	L	86.9	Confident	89.4	Confident	6 Å²	6	17 Å²	17	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-37.3	-175.4	-71.1	173.9	0	0	0	113.3	V188 A375 W376 A532 F534 S540	V188-L536 HydrophobicContact CG1-CD2 3.87Å; V188-L536 HydrophobicContact CG1-CG 4.2Å; A375-L536 HydrophobicContact CB-CD2 4.37Å; A375-L536 WeakPolarHBondContact O-CD2 3.24Å; W376-L536 HydrophobicContact CG-CD2 4.21Å; A532-L536 HydrophobicContact CB-CD1 3.8Å; A532-L536 HydrophobicContact CB-CG 4.37Å; A532-L536 WeakPolarHBondContact O-CB 3.25Å; A532-L536 WeakPolarHBondContact O-CG 3.45Å; A532-L536 PolarHBondContact O-N 3.17Å; F534-L536 VanDerWaalsContact C-N 3.35Å; F534-L536 PolarHBondContact O-N 3.39Å; L536-S540 WeakPolarHBondContact O-CB 3.46Å; L536-S540 PolarHBondContact O-N 3.45Å; L536-S540 PolarHBondContact O-OG 3.04Å
537	V	87.5	Confident	89.6	Confident	6 Å²	6	17 Å²	17	4%	0.036	10%	0.096	C	C	.	.	H	α-helix	trans	-68	-41.2	178.6	-174.5	0	0	0	0	109.8	S533 F534 S535 C541 I584 I587 L588	S533-V537 WeakPolarHBondContact O-CG2 3.33Å; F534-V537 PolarHBondContact O-N 2.97Å; S535-V537 PolarHBondContact O-N 2.99Å; V537-C541 WeakPolarHBondContact O-CB 3.19Å; V537-C541 PolarHBondContact O-N 3.06Å; V537-I584 HydrophobicContact CG1-CG2 3.78Å; V537-I584 WeakPolarHBondContact CG1-O 3.12Å; V537-I584 WeakPolarHBondContact O-CG2 3.3Å; V537-I587 HydrophobicContact CG1-CB 4.43Å; V537-I587 HydrophobicContact CG1-CG2 4.19Å; V537-I587 HydrophobicContact CG2-CG2 4.22Å; V537-L588 HydrophobicContact CB-CD1 4.37Å; V537-L588 HydrophobicContact CG1-CB 3.73Å; V537-L588 HydrophobicContact CG1-CD1 4.18Å
538	V	91	Very high	89.8	Confident	30 Å²	30	16.3 Å²	16.3	18%	0.182	9%	0.093	C	C	.	.	H	α-helix	trans	-65.1	-48.9	175.1	178.4	0	0	0	0	111.6	F534 S535 S540 C541 I542 L588 V621	F534-V538 PolarHBondContact O-N 2.89Å; S535-V538 PolarHBondContact O-N 2.7Å; V538-S540 VanDerWaalsContact C-N 3.34Å; V538-S540 PolarHBondContact O-N 3.38Å; V538-C541 PolarHBondContact O-N 3.41Å; V538-I542 HydrophobicContact CG1-CD1 3.7Å; V538-I542 WeakPolarHBondContact O-CG1 3.05Å; V538-I542 PolarHBondContact O-N 2.99Å; V538-L588 HydrophobicContact CG2-CD1 3.58Å; V538-L588 HydrophobicContact CG2-CD2 4.15Å; V538-V621 HydrophobicContact CB-CG2 4.28Å; V538-V621 HydrophobicContact CG1-CG1 3.88Å; V538-V621 HydrophobicContact CG1-CG2 4.36Å
539	I	93.9	Very high	90.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-45.6	177	-69	167.3	0	0	0	110.2	V181 M185 V188 A375 S535 I542 M543 I624	V181-I539 HydrophobicContact CG1-CG2 3.71Å; M185-I539 HydrophobicContact CE-CG2 3.95Å; M185-I539 HydrophobicContact CG-CG2 3.88Å; V188-I539 HydrophobicContact CG2-CD1 4.05Å; A375-I539 HydrophobicContact CB-CB 4.47Å; A375-I539 HydrophobicContact CB-CG2 3.88Å; S535-I539 WeakPolarHBondContact O-CB 3.44Å; S535-I539 WeakPolarHBondContact O-CD1 3.39Å; S535-I539 WeakPolarHBondContact O-CG1 3.45Å; S535-I539 PolarHBondContact O-N 2.98Å; I539-I542 PolarHBondContact O-N 3.4Å; I539-M543 VanDerWaalsContact O-CB 3.26Å; I539-M543 WeakPolarHBondContact O-CB 3.33Å; I539-M543 PolarHBondContact O-N 3.41Å; I539-I624 HydrophobicContact CG1-CD1 4.25Å
540	S	92.4	Very high	90.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-45.5	176.8	-62	0	0	0	0	112.4	A375 L536 V538 M543 C544	A375-S540 WeakPolarHBondContact CB-OG 3.26Å; L536-S540 WeakPolarHBondContact O-CB 3.46Å; L536-S540 PolarHBondContact O-N 3.45Å; L536-S540 PolarHBondContact O-OG 3.04Å; V538-S540 VanDerWaalsContact C-N 3.34Å; V538-S540 PolarHBondContact O-N 3.38Å; S540-M543 PolarHBondContact O-N 3.15Å; S540-C544 PolarHBondContact O-N 3.03Å; S540-C544 PolarHBondContact O-SG 3.15Å
541	C	92.7	Very high	90.9	Very high	21 Å²	21	21.1 Å²	21.1	14%	0.142	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-48.6	179.7	-168.5	0	0	0	0	111	V537 V538 C544 V545 I584	V537-C541 WeakPolarHBondContact O-CB 3.19Å; V537-C541 PolarHBondContact O-N 3.06Å; V538-C541 PolarHBondContact O-N 3.41Å; C541-C544 PolarHBondContact O-N 2.88Å; C541-V545 WeakPolarHBondContact O-CG2 3.34Å; C541-V545 PolarHBondContact O-N 2.52Å; C541-I584 HydrophobicContact CB-CG2 3.69Å
542	I	95.3	Very high	91.5	Very high	43 Å²	43	22 Å²	22	22%	0.221	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-38.3	-178.9	-66	170.4	0	0	0	110.7	F178 V181 V538 I539 V545 A546 I624	F178-I542 HydrophobicContact CD1-CG2 3.67Å; F178-I542 HydrophobicContact CE1-CG2 3.83Å; V181-I542 HydrophobicContact CG2-CG2 3.72Å; V538-I542 HydrophobicContact CG1-CD1 3.7Å; V538-I542 WeakPolarHBondContact O-CG1 3.05Å; V538-I542 PolarHBondContact O-N 2.99Å; I539-I542 PolarHBondContact O-N 3.4Å; I542-V545 PolarHBondContact O-N 3.02Å; I542-A546 VanDerWaalsContact O-CB 3.26Å; I542-A546 WeakPolarHBondContact O-CB 3.38Å; I542-A546 PolarHBondContact O-N 2.91Å; I542-I624 HydrophobicContact CD1-CD1 3.64Å; I542-I624 HydrophobicContact CD1-CG2 4.25Å; I542-I624 HydrophobicContact CG2-CG2 4.27Å
543	M	95.8	Very high	92.4	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-48.4	173.3	174	171.7	74	0	0	112	E157 W172 M185 A375 I539 S540 V545 A546 I547	E157-M543 HydrophobicContact CG-CE 3.81Å; E157-M543 HydrophobicContact CG-SD 3.99Å; W172-M543 HydrophobicContact CH2-CB 3.95Å; W172-M543 HydrophobicContact CH2-CG 3.87Å; W172-M543 HydrophobicContact CZ2-CG 4.35Å; M185-M543 HydrophobicContact CE-SD 3.68Å; A375-M543 HydrophobicContact CB-CE 4.37Å; I539-M543 VanDerWaalsContact O-CB 3.26Å; I539-M543 WeakPolarHBondContact O-CB 3.33Å; I539-M543 PolarHBondContact O-N 3.41Å; S540-M543 PolarHBondContact O-N 3.15Å; M543-V545 PolarHBondContact O-N 2.88Å; M543-A546 PolarHBondContact O-N 3.25Å; M543-I547 HydrophobicContact CG-CD1 3.81Å; M543-I547 WeakPolarHBondContact O-CG1 3.49Å; M543-I547 PolarHBondContact O-N 3.28Å
544	C	94.9	Very high	93.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-45.3	177.9	-65.7	0	0	0	0	111.9	L153 S540 C541 M548 P581	L153-C544 WeakPolarHBondContact CD2-SG 3.38Å; S540-C544 PolarHBondContact O-N 3.03Å; S540-C544 PolarHBondContact O-SG 3.15Å; C541-C544 PolarHBondContact O-N 2.88Å; C544-M548 VanDerWaalsContact O-CB 3.3Å; C544-M548 WeakPolarHBondContact O-CB 3.48Å; C544-M548 PolarHBondContact O-N 3.45Å; C544-P581 HydrophobicContact CB-CG 4.05Å
545	V	94.9	Very high	93.8	Very high	57 Å²	57	32.4 Å²	32.4	35%	0.345	16%	0.156	S	C	.	.	H	α-helix	trans	-62.3	-46.3	177.9	172.3	0	0	0	0	111	C541 I542 M543 I547 Y549 I550	C541-V545 WeakPolarHBondContact O-CG2 3.34Å; C541-V545 PolarHBondContact O-N 2.52Å; I542-V545 PolarHBondContact O-N 3.02Å; M543-V545 PolarHBondContact O-N 2.88Å; V545-I547 PolarHBondContact O-N 2.98Å; V545-Y549 WeakPolarHBondContact O-CB 3.24Å; V545-Y549 PolarHBondContact O-N 3.23Å; V545-I550 HydrophobicContact CG1-CD1 4.28Å; V545-I550 PolarHBondContact O-N 3.46Å
546	A	95.9	Very high	94.2	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	16%	0.157	C	C	.	.	I	π-helix	trans	-60.5	-46.1	-179.8	0	0	0	0	0	112.2	W172 F178 I542 M543 I550 Y551	W172-A546 HydrophobicContact CZ3-CB 4.04Å; F178-A546 HydrophobicContact CB-CB 4.42Å; F178-A546 HydrophobicContact CD1-CB 4.48Å; F178-A546 HydrophobicContact CD2-CB 3.8Å; F178-A546 HydrophobicContact CE2-CB 4.22Å; F178-A546 HydrophobicContact CG-CB 3.97Å; I542-A546 VanDerWaalsContact O-CB 3.26Å; I542-A546 WeakPolarHBondContact O-CB 3.38Å; I542-A546 PolarHBondContact O-N 2.91Å; M543-A546 PolarHBondContact O-N 3.25Å; A546-I550 WeakPolarHBondContact O-CB 3.34Å; A546-I550 PolarHBondContact O-N 3.27Å; A546-Y551 PolarHBondContact O-N 3.19Å
547	I	96.7	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-77.2	-45	-176.8	-57.6	171.9	0	0	0	111.3	M156 F160 M543 V545 G552 Y556	M156-I547 HydrophobicContact CG-CD1 4.2Å; M156-I547 HydrophobicContact SD-CB 4.48Å; M156-I547 HydrophobicContact SD-CD1 3.79Å; F160-I547 HydrophobicContact CD1-CD1 3.92Å; F160-I547 HydrophobicContact CE1-CD1 3.98Å; F160-I547 HydrophobicContact CG-CD1 4.26Å; F160-I547 HydrophobicContact CZ-CD1 4.36Å; M543-I547 HydrophobicContact CG-CD1 3.81Å; M543-I547 WeakPolarHBondContact O-CG1 3.49Å; M543-I547 PolarHBondContact O-N 3.28Å; V545-I547 PolarHBondContact O-N 2.98Å; I547-G552 PolarHBondContact O-N 2.89Å; I547-Y556 HydrophobicContact CG2-CD1 4.14Å; I547-Y556 HydrophobicContact CG2-CD2 3.48Å; I547-Y556 VanDerWaalsContact CG2-CD2 3.48Å; I547-Y556 HydrophobicContact CG2-CE1 4.25Å; I547-Y556 HydrophobicContact CG2-CE2 3.62Å; I547-Y556 HydrophobicContact CG2-CG 3.73Å
548	M	96.1	Very high	95.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.18	C	C	.	.	I	π-helix	trans	-82	-31.5	-172.3	-67	-67.2	127.6	0	0	114.6	M156 C544 G552 H553 Y556 F557 W576	M156-M548 HydrophobicContact CE-CE 4.02Å; M156-M548 HydrophobicContact CE-CG 4.48Å; C544-M548 VanDerWaalsContact O-CB 3.3Å; C544-M548 WeakPolarHBondContact O-CB 3.48Å; C544-M548 PolarHBondContact O-N 3.45Å; M548-G552 CarbonylContact O-C 3.59Å; M548-G552 WeakPolarHBondContact O-CA 3.43Å; M548-H553 PolarHBondContact O-N 3.3Å; M548-H553 HydrophobicContact SD-CB 3.95Å; M548-Y556 HydrophobicContact CE-CD1 3.36Å; M548-Y556 HydrophobicContact CE-CE1 3.68Å; M548-Y556 HydrophobicContact CE-CG 4.08Å; M548-F557 HydrophobicContact CE-CE1 4.47Å; M548-F557 HydrophobicContact SD-CE1 4.16Å; M548-W576 HydrophobicContact CE-CB 3.92Å; M548-W576 HydrophobicContact CE-CD2 4.24Å; M548-W576 HydrophobicContact CE-CE3 3.99Å; M548-W576 HydrophobicContact CE-CG 4.29Å; M548-W576 HydrophobicContact CG-CB 4.01Å; M548-W576 WeakPolarHBondContact CG-O 3.29Å; M548-W576 HydrophobicContact SD-CB 3.57Å; M548-W576 VanDerWaalsContact SD-CB 3.57Å
549	Y	95.6	Very high	95.3	Very high	123 Å²	123	36.5 Å²	36.5	48%	0.482	17%	0.172	S	C	.	.	I	π-helix	trans	-111.8	-37.2	-172.9	-65.4	-97.3	0	0	0	113.2	V545 R577	V545-Y549 WeakPolarHBondContact O-CB 3.24Å; V545-Y549 PolarHBondContact O-N 3.23Å; Y549-R577 PolarHBondContact OH-O 2.92Å
550	I	95.6	Very high	95.4	Very high	64 Å²	64	36.7 Å²	36.7	33%	0.328	17%	0.173	S	C	.	.	I	π-helix	trans	-91.4	-51.6	-173.5	-56.8	179.4	0	0	0	111.1	F178 V545 A546 G552 T648	F178-I550 HydrophobicContact CD2-CD1 4.49Å; F178-I550 HydrophobicContact CE2-CD1 3.32Å; F178-I550 HydrophobicContact CE2-CG1 4.49Å; F178-I550 HydrophobicContact CE2-CG2 4.27Å; F178-I550 HydrophobicContact CZ-CD1 3.41Å; F178-I550 VanDerWaalsContact CZ-CD1 3.41Å; V545-I550 HydrophobicContact CG1-CD1 4.28Å; V545-I550 PolarHBondContact O-N 3.46Å; A546-I550 WeakPolarHBondContact O-CB 3.34Å; A546-I550 PolarHBondContact O-N 3.27Å; I550-G552 VanDerWaalsContact C-N 3.32Å; I550-T648 HydrophobicContact CG2-CG2 3.93Å
551	Y	95.9	Very high	95.5	Very high	14 Å²	14	41 Å²	41	6%	0.055	19%	0.193	C	C	.	.	I	π-helix	trans	-68.7	-36	166.2	-179.4	-107.5	0	0	0	111.4	I174 A546 N555 D559 P650 W654 Y666	I174-Y551 HydrophobicContact CD1-CD1 3.63Å; I174-Y551 HydrophobicContact CD1-CD2 3.88Å; I174-Y551 HydrophobicContact CD1-CE1 3.98Å; I174-Y551 HydrophobicContact CD1-CE2 4.22Å; I174-Y551 HydrophobicContact CD1-CG 3.58Å; I174-Y551 HydrophobicContact CG1-CD1 4.03Å; I174-Y551 HydrophobicContact CG1-CD2 3.28Å; I174-Y551 HydrophobicContact CG1-CE1 4.34Å; I174-Y551 HydrophobicContact CG1-CE2 3.66Å; I174-Y551 HydrophobicContact CG1-CG 3.5Å; I174-Y551 VanDerWaalsContact CG1-CG 3.5Å; A546-Y551 PolarHBondContact O-N 3.19Å; Y551-N555 HydrophobicContact CD1-CB 4.04Å; Y551-N555 HydrophobicContact CE1-CB 3.38Å; Y551-N555 HydrophobicContact CE2-CB 4.39Å; Y551-N555 PolarHBondContact O-ND2 3.29Å; Y551-D559 WeakPolarHBondContact CE1-OD2 3.4Å; Y551-D559 PolarHBondContact OH-OD2 3.36Å; Y551-P650 HydrophobicContact CD2-CG 3.72Å; Y551-P650 HydrophobicContact CE2-CB 4.45Å; Y551-P650 HydrophobicContact CE2-CG 3.54Å; Y551-W654 AromaticContact CE2-NE1 3.82Å; Y551-W654 AromaticContact CZ-NE1 3.89Å; Y551-Y666 PolarHBondContact OH-OH 2.93Å
552	G	96.1	Very high	95.6	Very high	18 Å²	18	42.2 Å²	42.2	19%	0.186	20%	0.197	C	C	.	.	I	π-helix	trans	94.8	122.2	170	0	0	0	0	0	113	I547 M548 I550 R554 N555 Y556	I547-G552 PolarHBondContact O-N 2.89Å; M548-G552 CarbonylContact O-C 3.59Å; M548-G552 WeakPolarHBondContact O-CA 3.43Å; I550-G552 VanDerWaalsContact C-N 3.32Å; G552-R554 PolarHBondContact O-N 2.86Å; G552-N555 WeakPolarHBondContact O-CB 3.43Å; G552-N555 PolarHBondContact O-N 3.5Å; G552-Y556 PolarHBondContact O-N 3.41Å
553	H	95.6	Very high	95.5	Very high	44 Å²	44	40.2 Å²	40.2	20%	0.204	19%	0.187	C	C	.	.	H	α-helix	trans	-52.8	-33.5	-174	70	80.9	0	0	0	114.3	M548 N555 Y556 F557	M548-H553 PolarHBondContact O-N 3.3Å; M548-H553 HydrophobicContact SD-CB 3.95Å; H553-N555 VanDerWaalsContact C-N 3.33Å; H553-N555 PolarHBondContact O-N 2.67Å; H553-Y556 PolarHBondContact O-N 3.4Å; H553-F557 HydrophobicContact CB-CE1 4.03Å; H553-F557 HydrophobicContact CB-CE2 4.27Å; H553-F557 HydrophobicContact CB-CZ 3.83Å; H553-F557 AromaticContact ND1-CE2 3.77Å; H553-F557 WeakPolarHBondContact O-CB 3.44Å; H553-F557 WeakPolarHBondContact O-CD1 3.27Å; H553-F557 WeakPolarHBondContact O-CG 3.45Å; H553-F557 PolarHBondContact O-N 2.92Å
554	R	95.4	Very high	95.4	Very high	191 Å²	191	41.2 Å²	41.2	72%	0.721	19%	0.193	S	C	*	.	H	α-helix	trans	-62.6	-39.4	177.1	-66.9	-173.1	179.5	174.4	-0.5	112.3	G552 Q558	G552-R554 PolarHBondContact O-N 2.86Å; R554-Q558 WeakPolarHBondContact O-CG 3.48Å; R554-Q558 PolarHBondContact O-N 3.47Å
555	N	94.3	Very high	95.4	Very high	59 Å²	59	44.2 Å²	44.2	32%	0.316	22%	0.223	S	C	.	.	H	α-helix	trans	-69.1	-47.9	178.7	-63.3	-31.7	0	0	0	109.7	Y551 G552 H553 F557 Q558 D559 R665	Y551-N555 HydrophobicContact CD1-CB 4.04Å; Y551-N555 HydrophobicContact CE1-CB 3.38Å; Y551-N555 HydrophobicContact CE2-CB 4.39Å; Y551-N555 PolarHBondContact O-ND2 3.29Å; G552-N555 WeakPolarHBondContact O-CB 3.43Å; G552-N555 PolarHBondContact O-N 3.5Å; H553-N555 VanDerWaalsContact C-N 3.33Å; H553-N555 PolarHBondContact O-N 2.67Å; N555-F557 PolarHBondContact O-N 2.84Å; N555-Q558 WeakPolarHBondContact O-CB 3.3Å; N555-Q558 PolarHBondContact O-N 2.96Å; N555-Q558 VanDerWaalsContact O-N 3.17Å; N555-D559 PolarHBondContact O-N 3.23Å; N555-R665 PolarHBondContact O-NH2 3.07Å; N555-R665 PolarHBondContact OD1-NH1 2.86Å
556	Y	96.3	Very high	95.3	Very high	7 Å²	7	45.1 Å²	45.1	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-41.1	179.9	-168.8	-108.3	0	0	0	112.5	M156 S159 I547 M548 G552 H553 Q558 D559 I560 W576	M156-Y556 HydrophobicContact CG-CE1 4.37Å; M156-Y556 WeakPolarHBondContact CG-OH 3.24Å; M156-Y556 PolarHBondContact O-OH 3.08Å; S159-Y556 PolarHBondContact OG-OH 3.27Å; I547-Y556 HydrophobicContact CG2-CD1 4.14Å; I547-Y556 HydrophobicContact CG2-CD2 3.48Å; I547-Y556 VanDerWaalsContact CG2-CD2 3.48Å; I547-Y556 HydrophobicContact CG2-CE1 4.25Å; I547-Y556 HydrophobicContact CG2-CE2 3.62Å; I547-Y556 HydrophobicContact CG2-CG 3.73Å; M548-Y556 HydrophobicContact CE-CD1 3.36Å; M548-Y556 HydrophobicContact CE-CE1 3.68Å; M548-Y556 HydrophobicContact CE-CG 4.08Å; G552-Y556 PolarHBondContact O-N 3.41Å; H553-Y556 PolarHBondContact O-N 3.4Å; Y556-Q558 VanDerWaalsContact C-N 3.27Å; Y556-Q558 PolarHBondContact O-N 3.08Å; Y556-D559 WeakPolarHBondContact O-CB 3.48Å; Y556-D559 PolarHBondContact O-N 3.27Å; Y556-D559 VanDerWaalsContact O-N 3.11Å; Y556-I560 HydrophobicContact CD1-CG1 4.2Å; Y556-I560 HydrophobicContact CE1-CD1 4.1Å; Y556-I560 HydrophobicContact CE1-CG1 4.07Å; Y556-I560 WeakPolarHBondContact O-CG1 3.5Å; Y556-I560 PolarHBondContact O-N 3.06Å; Y556-W576 HydrophobicContact CD1-CE3 4.47Å; Y556-W576 HydrophobicContact CD1-CZ3 4.16Å; Y556-W576 HydrophobicContact CE1-CE3 4.19Å; Y556-W576 AromaticContact CE1-CH2 3.98Å; Y556-W576 HydrophobicContact CE1-CH2 3.98Å; Y556-W576 AromaticContact CE1-CZ3 3.76Å; Y556-W576 HydrophobicContact CE1-CZ3 3.76Å
557	F	96.6	Very high	95.3	Very high	23 Å²	23	48 Å²	48	10%	0.101	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-31.7	178	-62.2	-4	0	0	0	112.3	M548 H553 N555 Q561 P568 Q573 W576	M548-F557 HydrophobicContact CE-CE1 4.47Å; M548-F557 HydrophobicContact SD-CE1 4.16Å; H553-F557 HydrophobicContact CB-CE1 4.03Å; H553-F557 HydrophobicContact CB-CE2 4.27Å; H553-F557 HydrophobicContact CB-CZ 3.83Å; H553-F557 AromaticContact ND1-CE2 3.77Å; H553-F557 WeakPolarHBondContact O-CB 3.44Å; H553-F557 WeakPolarHBondContact O-CD1 3.27Å; H553-F557 WeakPolarHBondContact O-CG 3.45Å; H553-F557 PolarHBondContact O-N 2.92Å; N555-F557 PolarHBondContact O-N 2.84Å; F557-Q561 WeakPolarHBondContact O-CB 3.44Å; F557-Q561 PolarHBondContact O-N 3.14Å; F557-P568 HydrophobicContact CB-CG 3.92Å; F557-P568 HydrophobicContact CD1-CG 3.62Å; F557-P568 HydrophobicContact CD2-CG 4.41Å; F557-P568 HydrophobicContact CE1-CG 4.29Å; F557-P568 HydrophobicContact CG-CG 3.71Å; F557-Q573 HydrophobicContact CD2-CG 4Å; F557-Q573 HydrophobicContact CE1-CG 4.27Å; F557-Q573 HydrophobicContact CE2-CB 3.7Å; F557-Q573 HydrophobicContact CE2-CG 3.48Å; F557-Q573 VanDerWaalsContact CE2-CG 3.48Å; F557-Q573 VanDerWaalsContact CE2-OE1 3.29Å; F557-Q573 HydrophobicContact CZ-CB 3.62Å; F557-Q573 HydrophobicContact CZ-CG 3.65Å; F557-W576 AromaticContact CE1-CE3 3.97Å; F557-W576 HydrophobicContact CE1-CE3 3.97Å; F557-W576 HydrophobicContact CE1-CZ3 4.34Å
558	Q	95.2	Very high	95.2	Very high	97 Å²	97	48 Å²	48	45%	0.453	24%	0.241	S	C	.	.	H	α-helix	trans	-70.6	-36.9	172.2	-71.2	173.6	-6.1	0	0	111.8	R554 N555 Y556 Q561 M562	R554-Q558 WeakPolarHBondContact O-CG 3.48Å; R554-Q558 PolarHBondContact O-N 3.47Å; N555-Q558 WeakPolarHBondContact O-CB 3.3Å; N555-Q558 PolarHBondContact O-N 2.96Å; N555-Q558 VanDerWaalsContact O-N 3.17Å; Y556-Q558 VanDerWaalsContact C-N 3.27Å; Y556-Q558 PolarHBondContact O-N 3.08Å; Q558-Q561 PolarHBondContact O-N 3.48Å; Q558-M562 WeakPolarHBondContact O-CB 3.36Å; Q558-M562 PolarHBondContact O-N 3.43Å
559	D	95.6	Very high	95.2	Very high	2 Å²	2	50 Å²	50	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-42.4	175.2	-57.6	-25.2	0	0	0	111.3	F163 Y551 N555 Y556 Q561 M562 M563 R665 Y666	F163-D559 HydrophobicContact CD2-CB 3.97Å; F163-D559 HydrophobicContact CE1-CB 4.19Å; F163-D559 HydrophobicContact CE2-CB 3.6Å; F163-D559 HydrophobicContact CG-CB 4.42Å; F163-D559 HydrophobicContact CZ-CB 3.72Å; Y551-D559 WeakPolarHBondContact CE1-OD2 3.4Å; Y551-D559 PolarHBondContact OH-OD2 3.36Å; N555-D559 PolarHBondContact O-N 3.23Å; Y556-D559 WeakPolarHBondContact O-CB 3.48Å; Y556-D559 PolarHBondContact O-N 3.27Å; Y556-D559 VanDerWaalsContact O-N 3.11Å; D559-Q561 VanDerWaalsContact C-N 3.34Å; D559-Q561 PolarHBondContact O-N 2.87Å; D559-M562 PolarHBondContact O-N 2.7Å; D559-M563 WeakPolarHBondContact O-CB 3.26Å; D559-M563 PolarHBondContact O-N 2.92Å; D559-R665 IonicContact OD1-NH2 2.97Å; D559-R665 PolarHBondContact OD1-NH2 3.33Å; D559-Y666 VanDerWaalsContact CG-OH 3.26Å; D559-Y666 VanDerWaalsContact OD1-CE2 3.25Å; D559-Y666 WeakPolarHBondContact OD1-CE2 3.35Å; D559-Y666 PolarHBondContact OD1-OH 3.15Å; D559-Y666 PolarHBondContact OD2-OH 3.16Å
560	I	95.9	Very high	95.2	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-43.5	171	-61.4	-62.1	0	0	0	111.1	F155 S159 Y556 M563 L564 P568	F155-I560 HydrophobicContact CZ-CG2 4.32Å; S159-I560 WeakPolarHBondContact OG-CD1 3.42Å; Y556-I560 HydrophobicContact CD1-CG1 4.2Å; Y556-I560 HydrophobicContact CE1-CD1 4.1Å; Y556-I560 HydrophobicContact CE1-CG1 4.07Å; Y556-I560 WeakPolarHBondContact O-CG1 3.5Å; Y556-I560 PolarHBondContact O-N 3.06Å; I560-M563 HydrophobicContact CD1-CE 4.01Å; I560-M563 PolarHBondContact O-N 3.5Å; I560-L564 HydrophobicContact CG2-CD1 3.83Å; I560-L564 HydrophobicContact CG2-CG 4.35Å; I560-L564 PolarHBondContact O-N 2.95Å; I560-P568 HydrophobicContact CB-CG 4.41Å; I560-P568 HydrophobicContact CG2-CB 4.15Å; I560-P568 HydrophobicContact CG2-CG 4.28Å
561	Q	95.1	Very high	95.3	Very high	91 Å²	91	50.5 Å²	50.5	43%	0.425	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-36.9	178.4	-174.3	174.6	-0.8	0	0	112.5	F557 Q558 D559 M563 G565 F566	F557-Q561 WeakPolarHBondContact O-CB 3.44Å; F557-Q561 PolarHBondContact O-N 3.14Å; Q558-Q561 PolarHBondContact O-N 3.48Å; D559-Q561 VanDerWaalsContact C-N 3.34Å; D559-Q561 PolarHBondContact O-N 2.87Å; Q561-M563 VanDerWaalsContact C-N 3.3Å; Q561-G565 CarbonylContact O-C 3.55Å; Q561-G565 WeakPolarHBondContact O-CA 3.47Å; Q561-G565 PolarHBondContact O-N 3.4Å; Q561-F566 WeakPolarHBondContact CA-O 3.38Å
562	M	93.8	Very high	95.3	Very high	46 Å²	46	50.2 Å²	50.2	23%	0.227	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-37.6	172.7	177.5	179.1	-71.5	0	0	111.8	F163 F388 H389 Q558 D559 P656 T663 Y666	F163-M562 HydrophobicContact CE2-SD 4.25Å; F388-M562 HydrophobicContact CE1-CG 4.13Å; F388-M562 HydrophobicContact CZ-CG 4.09Å; F388-M562 HydrophobicContact CZ-SD 4.33Å; H389-M562 PolarHBondContact CE1-O 3.01Å; Q558-M562 WeakPolarHBondContact O-CB 3.36Å; Q558-M562 PolarHBondContact O-N 3.43Å; D559-M562 PolarHBondContact O-N 2.7Å; M562-P656 HydrophobicContact SD-CG 4.25Å; M562-T663 WeakPolarHBondContact CE-O 3.31Å; M562-T663 WeakPolarHBondContact CE-OG1 3.48Å; M562-Y666 HydrophobicContact CE-CD2 4Å; M562-Y666 HydrophobicContact CE-CE2 4.45Å; M562-Y666 HydrophobicContact SD-CD2 4.09Å; M562-Y666 HydrophobicContact SD-CE2 4.46Å
563	M	94.2	Very high	95.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-76.2	-48.7	-178.8	-168.8	-178.5	57.5	0	0	112.5	Q162 F163 F388 H389 C392 D559 I560 Q561	Q162-M563 HydrophobicContact CB-SD 3.96Å; Q162-M563 HydrophobicContact CG-SD 3.82Å; Q162-M563 PolarHBondContact NE2-SD 3.24Å; Q162-M563 VanDerWaalsContact NE2-SD 3.39Å; F163-M563 HydrophobicContact CB-SD 4.15Å; F388-M563 HydrophobicContact CZ-CB 4.44Å; F388-M563 WeakPolarHBondContact O-CG 3.26Å; H389-M563 WeakPolarHBondContact CA-O 3.36Å; H389-M563 PolarHBondContact ND1-O 2.87Å; C392-M563 WeakPolarHBondContact SG-CE 3.27Å; D559-M563 WeakPolarHBondContact O-CB 3.26Å; D559-M563 PolarHBondContact O-N 2.92Å; I560-M563 HydrophobicContact CD1-CE 4.01Å; I560-M563 PolarHBondContact O-N 3.5Å; Q561-M563 VanDerWaalsContact C-N 3.3Å
564	L	94.5	Very high	95.4	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.12	27%	0.274	C	S	.	.	H	α-helix	trans	-98.5	-12	-171.9	-60	-177.9	0	0	0	114.6	F155 N390 I560 F566	F155-L564 HydrophobicContact CE2-CD1 4.2Å; F155-L564 HydrophobicContact CZ-CD1 3.91Å; N390-L564 WeakPolarHBondContact O-CD2 3.39Å; I560-L564 HydrophobicContact CG2-CD1 3.83Å; I560-L564 HydrophobicContact CG2-CG 4.35Å; I560-L564 PolarHBondContact O-N 2.95Å; L564-F566 HydrophobicContact CB-CD1 4.02Å; L564-F566 HydrophobicContact CB-CE1 3.75Å; L564-F566 HydrophobicContact CB-CE2 4.38Å; L564-F566 HydrophobicContact CB-CG 4.45Å; L564-F566 HydrophobicContact CB-CZ 3.94Å; L564-F566 HydrophobicContact CD1-CE2 4.04Å; L564-F566 HydrophobicContact CD1-CZ 3.88Å; L564-F566 HydrophobicContact CG-CZ 4.45Å; L564-F566 WeakPolarHBondContact O-CD1 3.22Å; L564-F566 WeakPolarHBondContact O-CE1 3.08Å; L564-F566 PolarHBondContact O-N 3.45Å
565	G	93.8	Very high	95.5	Very high	63 Å²	63	44.7 Å²	44.7	65%	0.649	24%	0.24	S	C	*	.	S	Bend	trans	80.8	-13.1	-171.8	0	0	0	0	0	114.6	Q561	Q561-G565 CarbonylContact O-C 3.55Å; Q561-G565 WeakPolarHBondContact O-CA 3.47Å; Q561-G565 PolarHBondContact O-N 3.4Å
566	F	94.1	Very high	95.6	Very high	75 Å²	75	41.9 Å²	41.9	33%	0.329	23%	0.225	S	C	.	.	S	Bend	trans	-131.7	145.6	178.3	58.7	-90.2	0	0	0	111.4	Y393 Q561 L564	Y393-F566 HydrophobicContact CD1-CE2 4.15Å; Y393-F566 HydrophobicContact CD1-CZ 4.02Å; Q561-F566 WeakPolarHBondContact CA-O 3.38Å; L564-F566 HydrophobicContact CB-CD1 4.02Å; L564-F566 HydrophobicContact CB-CE1 3.75Å; L564-F566 HydrophobicContact CB-CE2 4.38Å; L564-F566 HydrophobicContact CB-CG 4.45Å; L564-F566 HydrophobicContact CB-CZ 3.94Å; L564-F566 HydrophobicContact CD1-CE2 4.04Å; L564-F566 HydrophobicContact CD1-CZ 3.88Å; L564-F566 HydrophobicContact CG-CZ 4.45Å; L564-F566 WeakPolarHBondContact O-CD1 3.22Å; L564-F566 WeakPolarHBondContact O-CE1 3.08Å; L564-F566 PolarHBondContact O-N 3.45Å
567	P	94	Very high	95.5	Very high	62 Å²	62	46.2 Å²	46.2	40%	0.403	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-66.1	153.7	176.2	29.7	-35.7	0	0	0	111.1
568	P	95.1	Very high	95.5	Very high	1 Å²	1	50 Å²	50	1%	0.006	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-57.9	137.1	179.4	22.5	-31.1	0	0	0	110.4	F557 I560 Q573 W576	F557-P568 HydrophobicContact CB-CG 3.92Å; F557-P568 HydrophobicContact CD1-CG 3.62Å; F557-P568 HydrophobicContact CD2-CG 4.41Å; F557-P568 HydrophobicContact CE1-CG 4.29Å; F557-P568 HydrophobicContact CG-CG 3.71Å; I560-P568 HydrophobicContact CB-CG 4.41Å; I560-P568 HydrophobicContact CG2-CB 4.15Å; I560-P568 HydrophobicContact CG2-CG 4.28Å; P568-Q573 HydrophobicContact CB-CG 4.43Å; P568-Q573 HydrophobicContact CG-CG 4.08Å; P568-Q573 PolarHBondContact O-NE2 2.9Å; P568-W576 HydrophobicContact CB-CH2 4.32Å; P568-W576 HydrophobicContact CB-CZ3 3.84Å; P568-W576 HydrophobicContact CG-CZ3 4.18Å
569	P	95.9	Very high	95.5	Very high	44 Å²	44	47.4 Å²	47.4	29%	0.286	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-58.3	148.9	-178.9	-23.3	32	0	0	0	112.2	Y393 F571 F572 Q573	Y393-P569 HydrophobicContact CE2-CG 4.36Å; P569-F571 PolarHBondContact O-N 3.41Å; P569-F572 HydrophobicContact CB-CD2 4.13Å; P569-F572 HydrophobicContact CG-CD2 4.15Å; P569-F572 PolarHBondContact O-N 3.39Å; P569-Q573 PolarHBondContact O-N 3.31Å
570	L	96.2	Very high	95.4	Very high	119 Å²	119	47.3 Å²	47.3	62%	0.623	25%	0.248	S	C	*	.	H	α-helix	trans	-50.8	-37.7	-173.9	-179.1	63.2	0	0	0	113.4	F572 Q573 I574	L570-F572 PolarHBondContact O-N 3.47Å; L570-Q573 WeakPolarHBondContact O-CB 3.46Å; L570-Q573 PolarHBondContact O-N 3.46Å; L570-I574 HydrophobicContact CD1-CD1 4.06Å; L570-I574 HydrophobicContact CD1-CG1 4.25Å; L570-I574 HydrophobicContact CD2-CD1 4.44Å; L570-I574 HydrophobicContact CG-CD1 3.86Å; L570-I574 HydrophobicContact CG-CG1 4.44Å; L570-I574 WeakPolarHBondContact O-CG1 3.38Å; L570-I574 PolarHBondContact O-N 2.9Å
571	F	96.9	Very high	95.2	Very high	77 Å²	77	47.8 Å²	47.8	34%	0.338	25%	0.252	S	S	.	.	H	α-helix	trans	-52.6	-49.5	174	175.1	-101.1	0	0	0	112.8	I147 F148 P152 P569 I574 C575	I147-F571 HydrophobicContact CG2-CE2 4.21Å; I147-F571 HydrophobicContact CG2-CZ 3.69Å; I147-F571 WeakPolarHBondContact O-CZ 3.47Å; F148-F571 HydrophobicContact CD1-CE2 4.1Å; F148-F571 HydrophobicContact CD1-CZ 4.35Å; F148-F571 AromaticContact CE1-CE2 3.88Å; F148-F571 HydrophobicContact CE1-CE2 3.88Å; P152-F571 HydrophobicContact CG-CE1 4.26Å; P569-F571 PolarHBondContact O-N 3.41Å; F571-I574 PolarHBondContact O-N 3.29Å; F571-C575 WeakPolarHBondContact CZ-SG 3.42Å; F571-C575 WeakPolarHBondContact O-CB 3.24Å; F571-C575 PolarHBondContact O-N 3.32Å; F571-C575 PolarHBondContact O-SG 3.4Å
572	F	96.8	Very high	95.1	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-69.5	-37	179.3	-69.2	-87.2	0	0	0	111.9	I151 P152 F155 Y393 P569 L570 I574 C575 W576	I151-F572 HydrophobicContact CG2-CE1 4Å; I151-F572 HydrophobicContact CG2-CZ 4.03Å; P152-F572 HydrophobicContact CB-CD1 4.36Å; P152-F572 HydrophobicContact CG-CD1 4.49Å; P152-F572 HydrophobicContact CG-CE1 4.5Å; F155-F572 HydrophobicContact CB-CD1 4.41Å; F155-F572 HydrophobicContact CB-CE1 4.14Å; F155-F572 AromaticContact CD1-CD1 3.56Å; F155-F572 HydrophobicContact CD1-CD1 3.56Å; F155-F572 AromaticContact CD1-CE1 3.81Å; F155-F572 HydrophobicContact CD1-CE1 3.81Å; F155-F572 AromaticContact CD1-CG 3.98Å; F155-F572 HydrophobicContact CD1-CG 3.98Å; F155-F572 HydrophobicContact CD1-CZ 4.45Å; F155-F572 HydrophobicContact CE1-CD1 4.36Å; F155-F572 HydrophobicContact CE1-CG 4.33Å; F155-F572 HydrophobicContact CG-CD1 4.46Å; F155-F572 HydrophobicContact CG-CE1 4.39Å; Y393-F572 HydrophobicContact CD2-CE2 4.21Å; Y393-F572 HydrophobicContact CD2-CZ 4.34Å; Y393-F572 HydrophobicContact CE2-CD2 4.31Å; Y393-F572 AromaticContact CE2-CE2 3.48Å; Y393-F572 HydrophobicContact CE2-CE2 3.48Å; Y393-F572 VanDerWaalsContact CE2-CE2 3.48Å; Y393-F572 AromaticContact CE2-CZ 3.8Å; Y393-F572 HydrophobicContact CE2-CZ 3.8Å; P569-F572 HydrophobicContact CB-CD2 4.13Å; P569-F572 HydrophobicContact CG-CD2 4.15Å; P569-F572 PolarHBondContact O-N 3.39Å; L570-F572 PolarHBondContact O-N 3.47Å; F572-I574 VanDerWaalsContact C-N 3.31Å; F572-I574 PolarHBondContact O-N 2.88Å; F572-C575 PolarHBondContact O-N 2.93Å; F572-W576 HydrophobicContact CB-CD2 4.35Å; F572-W576 HydrophobicContact CB-CE3 4.36Å; F572-W576 HydrophobicContact CB-CH2 4.47Å; F572-W576 HydrophobicContact CB-CZ2 4.43Å; F572-W576 HydrophobicContact CB-CZ3 4.42Å; F572-W576 HydrophobicContact CD1-CZ2 4.35Å; F572-W576 WeakPolarHBondContact O-CB 3.44Å; F572-W576 VanDerWaalsContact O-CG 3.25Å; F572-W576 PolarHBondContact O-N 3.47Å
573	Q	96.4	Very high	94.9	Very high	56 Å²	56	45.8 Å²	45.8	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-42.7	174.7	-58.1	-173.3	27.9	0	0	111.7	F557 P568 P569 L570 R577	F557-Q573 HydrophobicContact CD2-CG 4Å; F557-Q573 HydrophobicContact CE1-CG 4.27Å; F557-Q573 HydrophobicContact CE2-CB 3.7Å; F557-Q573 HydrophobicContact CE2-CG 3.48Å; F557-Q573 VanDerWaalsContact CE2-CG 3.48Å; F557-Q573 VanDerWaalsContact CE2-OE1 3.29Å; F557-Q573 HydrophobicContact CZ-CB 3.62Å; F557-Q573 HydrophobicContact CZ-CG 3.65Å; P568-Q573 HydrophobicContact CB-CG 4.43Å; P568-Q573 HydrophobicContact CG-CG 4.08Å; P568-Q573 PolarHBondContact O-NE2 2.9Å; P569-Q573 PolarHBondContact O-N 3.31Å; L570-Q573 WeakPolarHBondContact O-CB 3.46Å; L570-Q573 PolarHBondContact O-N 3.46Å; Q573-R577 WeakPolarHBondContact O-CB 3.35Å; Q573-R577 PolarHBondContact O-N 2.91Å
574	I	97.1	Very high	94.7	Very high	79 Å²	79	45.7 Å²	45.7	41%	0.405	25%	0.253	S	S	.	.	H	α-helix	trans	-71.1	-43.8	177.3	-67	169.2	0	0	0	110.8	L570 F571 F572 F578 V579	L570-I574 HydrophobicContact CD1-CD1 4.06Å; L570-I574 HydrophobicContact CD1-CG1 4.25Å; L570-I574 HydrophobicContact CD2-CD1 4.44Å; L570-I574 HydrophobicContact CG-CD1 3.86Å; L570-I574 HydrophobicContact CG-CG1 4.44Å; L570-I574 WeakPolarHBondContact O-CG1 3.38Å; L570-I574 PolarHBondContact O-N 2.9Å; F571-I574 PolarHBondContact O-N 3.29Å; F572-I574 VanDerWaalsContact C-N 3.31Å; F572-I574 PolarHBondContact O-N 2.88Å; I574-F578 PolarHBondContact O-N 2.95Å; I574-V579 HydrophobicContact CG2-CG2 3.95Å; I574-V579 PolarHBondContact O-N 2.94Å
575	C	96.9	Very high	94.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	27%	0.273	C	S	.	.	I	π-helix	trans	-61.5	-55.6	-179.6	-70.5	0	0	0	0	111.7	P152 F571 F572 R577 F578 V579 S580 P581	P152-C575 HydrophobicContact CB-CB 3.87Å; P152-C575 HydrophobicContact CG-CB 3.7Å; F571-C575 WeakPolarHBondContact CZ-SG 3.42Å; F571-C575 WeakPolarHBondContact O-CB 3.24Å; F571-C575 PolarHBondContact O-N 3.32Å; F571-C575 PolarHBondContact O-SG 3.4Å; F572-C575 PolarHBondContact O-N 2.93Å; C575-R577 VanDerWaalsContact C-N 3.32Å; C575-R577 PolarHBondContact O-N 3.4Å; C575-F578 PolarHBondContact O-N 2.81Å; C575-V579 PolarHBondContact O-N 2.91Å; C575-V579 VanDerWaalsContact O-N 3.13Å; C575-S580 WeakPolarHBondContact O-CB 3.2Å; C575-S580 PolarHBondContact O-N 3.47Å; C575-S580 PolarHBondContact O-OG 3.43Å; C575-P581 VanDerWaalsContact O-CD 3.28Å; C575-P581 WeakPolarHBondContact O-CD 3.24Å
576	W	96.4	Very high	94	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-61.2	-39.7	-179.8	-63.8	-27.4	0	0	0	113.1	P152 F155 M156 M548 Y556 F557 P568 F572 P581	P152-W576 VanDerWaalsContact C-NE1 3.33Å; P152-W576 PolarHBondContact O-NE1 3.36Å; F155-W576 HydrophobicContact CB-CZ2 4.14Å; F155-W576 AromaticContact CD1-CH2 3.52Å; F155-W576 HydrophobicContact CD1-CH2 3.52Å; F155-W576 AromaticContact CD1-CZ2 3.29Å; F155-W576 HydrophobicContact CD1-CZ2 3.29Å; F155-W576 AromaticContact CE1-CH2 3.48Å; F155-W576 HydrophobicContact CE1-CH2 3.48Å; F155-W576 VanDerWaalsContact CE1-CH2 3.48Å; F155-W576 AromaticContact CE1-CZ2 3.8Å; F155-W576 HydrophobicContact CE1-CZ2 3.8Å; F155-W576 HydrophobicContact CG-CH2 4.32Å; F155-W576 AromaticContact CG-CZ2 3.87Å; F155-W576 HydrophobicContact CG-CZ2 3.87Å; F155-W576 HydrophobicContact CZ-CH2 4.24Å; M156-W576 HydrophobicContact CB-CZ2 4.1Å; M156-W576 HydrophobicContact CE-CB 3.75Å; M156-W576 HydrophobicContact CE-CD2 4.09Å; M156-W576 HydrophobicContact CE-CG 3.46Å; M156-W576 VanDerWaalsContact CE-CG 3.46Å; M548-W576 HydrophobicContact CE-CB 3.92Å; M548-W576 HydrophobicContact CE-CD2 4.24Å; M548-W576 HydrophobicContact CE-CE3 3.99Å; M548-W576 HydrophobicContact CE-CG 4.29Å; M548-W576 HydrophobicContact CG-CB 4.01Å; M548-W576 WeakPolarHBondContact CG-O 3.29Å; M548-W576 HydrophobicContact SD-CB 3.57Å; M548-W576 VanDerWaalsContact SD-CB 3.57Å; Y556-W576 HydrophobicContact CD1-CE3 4.47Å; Y556-W576 HydrophobicContact CD1-CZ3 4.16Å; Y556-W576 HydrophobicContact CE1-CE3 4.19Å; Y556-W576 AromaticContact CE1-CH2 3.98Å; Y556-W576 HydrophobicContact CE1-CH2 3.98Å; Y556-W576 AromaticContact CE1-CZ3 3.76Å; Y556-W576 HydrophobicContact CE1-CZ3 3.76Å; F557-W576 AromaticContact CE1-CE3 3.97Å; F557-W576 HydrophobicContact CE1-CE3 3.97Å; F557-W576 HydrophobicContact CE1-CZ3 4.34Å; P568-W576 HydrophobicContact CB-CH2 4.32Å; P568-W576 HydrophobicContact CB-CZ3 3.84Å; P568-W576 HydrophobicContact CG-CZ3 4.18Å; F572-W576 HydrophobicContact CB-CD2 4.35Å; F572-W576 HydrophobicContact CB-CE3 4.36Å; F572-W576 HydrophobicContact CB-CH2 4.47Å; F572-W576 HydrophobicContact CB-CZ2 4.43Å; F572-W576 HydrophobicContact CB-CZ3 4.42Å; F572-W576 HydrophobicContact CD1-CZ2 4.35Å; F572-W576 WeakPolarHBondContact O-CB 3.44Å; F572-W576 VanDerWaalsContact O-CG 3.25Å; F572-W576 PolarHBondContact O-N 3.47Å; W576-P581 WeakPolarHBondContact O-CD 3.14Å; W576-P581 WeakPolarHBondContact O-CG 3.05Å
577	R	95.6	Very high	93.6	Very high	99 Å²	99	49 Å²	49	37%	0.374	25%	0.248	S	C	.	.	I	π-helix	trans	-75.5	-36.7	-176.5	-170.9	174.9	172.9	-156.2	-5.3	112.8	Y549 Q573 C575	Y549-R577 PolarHBondContact OH-O 2.92Å; Q573-R577 WeakPolarHBondContact O-CB 3.35Å; Q573-R577 PolarHBondContact O-N 2.91Å; C575-R577 VanDerWaalsContact C-N 3.32Å; C575-R577 PolarHBondContact O-N 3.4Å
578	F	95.4	Very high	93.2	Very high	101 Å²	101	47.8 Å²	47.8	44%	0.443	24%	0.239	S	C	.	.	I	π-helix	trans	-131.7	-56.2	-169.9	-58.1	-64.5	0	0	0	114	I574 C575 A582	I574-F578 PolarHBondContact O-N 2.95Å; C575-F578 PolarHBondContact O-N 2.81Å; F578-A582 WeakPolarHBondContact O-CB 3.3Å; F578-A582 PolarHBondContact O-N 2.91Å; F578-A582 VanDerWaalsContact O-N 3.09Å
579	V	95.1	Very high	92.8	Very high	43 Å²	43	50.6 Å²	50.6	26%	0.261	26%	0.255	S	S	.	.	I	π-helix	trans	-71.3	-52.3	-165.8	-172	0	0	0	0	111.9	F148 I574 C575 A582 I583	F148-V579 HydrophobicContact CB-CG1 3.98Å; F148-V579 HydrophobicContact CD1-CG1 3.93Å; F148-V579 HydrophobicContact CG-CG1 4.25Å; I574-V579 HydrophobicContact CG2-CG2 3.95Å; I574-V579 PolarHBondContact O-N 2.94Å; C575-V579 PolarHBondContact O-N 2.91Å; C575-V579 VanDerWaalsContact O-N 3.13Å; V579-A582 PolarHBondContact O-N 3.46Å; V579-I583 HydrophobicContact CG1-CD1 3.66Å; V579-I583 HydrophobicContact CG1-CG1 4.37Å; V579-I583 WeakPolarHBondContact O-CG1 3.27Å; V579-I583 PolarHBondContact O-N 3.22Å
580	S	93.4	Very high	92	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-47	-179.3	-40.3	0	0	0	0	111.8	F148 C575 A582 I583 I584	F148-S580 PolarHBondContact O-OG 3.03Å; C575-S580 WeakPolarHBondContact O-CB 3.2Å; C575-S580 PolarHBondContact O-N 3.47Å; C575-S580 PolarHBondContact O-OG 3.43Å; S580-A582 PolarHBondContact O-N 3.09Å; S580-I583 PolarHBondContact O-N 2.96Å; S580-I584 WeakPolarHBondContact O-CB 3.38Å; S580-I584 VanDerWaalsContact O-CD1 3.25Å; S580-I584 WeakPolarHBondContact O-CD1 3.46Å; S580-I584 WeakPolarHBondContact O-CG1 3.26Å; S580-I584 PolarHBondContact O-N 3.27Å
581	P	92.4	Very high	91.1	Very high	14 Å²	14	47 Å²	47	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-42.9	174.2	-23.5	32.2	0	0	0	113.8	C544 C575 W576 I584 F585	C544-P581 HydrophobicContact CB-CG 4.05Å; C575-P581 VanDerWaalsContact O-CD 3.28Å; C575-P581 WeakPolarHBondContact O-CD 3.24Å; W576-P581 WeakPolarHBondContact O-CD 3.14Å; W576-P581 WeakPolarHBondContact O-CG 3.05Å; P581-I584 PolarHBondContact O-N 3.42Å; P581-F585 VanDerWaalsContact O-CB 3.31Å; P581-F585 WeakPolarHBondContact O-CB 3.37Å; P581-F585 PolarHBondContact O-N 2.85Å
582	A	92.8	Very high	90.5	Very high	60 Å²	60	47.7 Å²	47.7	50%	0.496	24%	0.243	S	C	.	.	H	α-helix	trans	-65.6	-42.5	179.6	0	0	0	0	0	111.9	F578 V579 S580 F585 F586	F578-A582 WeakPolarHBondContact O-CB 3.3Å; F578-A582 PolarHBondContact O-N 2.91Å; F578-A582 VanDerWaalsContact O-N 3.09Å; V579-A582 PolarHBondContact O-N 3.46Å; S580-A582 PolarHBondContact O-N 3.09Å; A582-F585 PolarHBondContact O-N 3.39Å; A582-F586 WeakPolarHBondContact O-CB 3.27Å; A582-F586 PolarHBondContact O-N 2.99Å
583	I	90.3	Very high	89.9	Confident	34 Å²	34	53 Å²	53	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-44.4	176.3	-67.5	172.1	0	0	0	111	M145 F148 C149 V579 S580 F585 F586 I587	M145-I583 HydrophobicContact CE-CG2 3.84Å; M145-I583 HydrophobicContact SD-CG2 3.57Å; M145-I583 VanDerWaalsContact SD-CG2 3.57Å; F148-I583 HydrophobicContact CB-CD1 3.99Å; C149-I583 VanDerWaalsContact SG-CB 3.52Å; C149-I583 WeakPolarHBondContact SG-CG2 3.46Å; V579-I583 HydrophobicContact CG1-CD1 3.66Å; V579-I583 HydrophobicContact CG1-CG1 4.37Å; V579-I583 WeakPolarHBondContact O-CG1 3.27Å; V579-I583 PolarHBondContact O-N 3.22Å; S580-I583 PolarHBondContact O-N 2.96Å; I583-F585 VanDerWaalsContact C-N 3.32Å; I583-F585 PolarHBondContact O-N 3.45Å; I583-F586 WeakPolarHBondContact O-CB 3.46Å; I583-F586 PolarHBondContact O-N 3.44Å; I583-I587 HydrophobicContact CG2-CD1 3.62Å; I583-I587 HydrophobicContact CG2-CG1 4.29Å; I583-I587 WeakPolarHBondContact O-CD1 3.34Å; I583-I587 WeakPolarHBondContact O-CG1 3.26Å; I583-I587 PolarHBondContact O-N 3.22Å
584	I	89.2	Confident	89.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-44.9	175.8	-64.2	157.6	0	0	0	110.8	L153 F369 V537 C541 S580 P581 I587 L588	L153-I584 HydrophobicContact CD1-CD1 3.85Å; L153-I584 HydrophobicContact CD1-CG1 4.39Å; L153-I584 HydrophobicContact CD2-CD1 4.12Å; F369-I584 HydrophobicContact CZ-CD1 4.48Å; F369-I584 HydrophobicContact CZ-CG1 3.78Å; V537-I584 HydrophobicContact CG1-CG2 3.78Å; V537-I584 WeakPolarHBondContact CG1-O 3.12Å; V537-I584 WeakPolarHBondContact O-CG2 3.3Å; C541-I584 HydrophobicContact CB-CG2 3.69Å; S580-I584 WeakPolarHBondContact O-CB 3.38Å; S580-I584 VanDerWaalsContact O-CD1 3.25Å; S580-I584 WeakPolarHBondContact O-CD1 3.46Å; S580-I584 WeakPolarHBondContact O-CG1 3.26Å; S580-I584 PolarHBondContact O-N 3.27Å; P581-I584 PolarHBondContact O-N 3.42Å; I584-I587 PolarHBondContact O-N 3.04Å; I584-L588 PolarHBondContact O-N 2.98Å
585	F	89.1	Confident	88.5	Confident	124 Å²	124	53.7 Å²	53.7	54%	0.544	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-41.3	177.8	-177.5	-97.9	0	0	0	112.1	P581 A582 I583 L588 V589	P581-F585 VanDerWaalsContact O-CB 3.31Å; P581-F585 WeakPolarHBondContact O-CB 3.37Å; P581-F585 PolarHBondContact O-N 2.85Å; A582-F585 PolarHBondContact O-N 3.39Å; I583-F585 VanDerWaalsContact C-N 3.32Å; I583-F585 PolarHBondContact O-N 3.45Å; F585-L588 WeakPolarHBondContact O-CB 3.17Å; F585-L588 PolarHBondContact O-N 3.23Å; F585-V589 HydrophobicContact CD1-CG2 4.42Å; F585-V589 HydrophobicContact CE1-CG2 4Å; F585-V589 HydrophobicContact CZ-CG2 4.12Å; F585-V589 WeakPolarHBondContact O-CG2 3.22Å; F585-V589 PolarHBondContact O-N 3.28Å
586	F	85.9	Confident	87.8	Confident	103 Å²	103	60.3 Å²	60.3	45%	0.452	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-48.1	173	-179.5	-88	0	0	0	111.4	A582 I583 L588 V589 F590	A582-F586 WeakPolarHBondContact O-CB 3.27Å; A582-F586 PolarHBondContact O-N 2.99Å; I583-F586 WeakPolarHBondContact O-CB 3.46Å; I583-F586 PolarHBondContact O-N 3.44Å; F586-L588 VanDerWaalsContact C-N 3.33Å; F586-L588 PolarHBondContact O-N 2.92Å; F586-V589 PolarHBondContact O-N 3.2Å; F586-F590 AromaticContact CD1-CD2 3.9Å; F586-F590 HydrophobicContact CD1-CD2 3.9Å; F586-F590 HydrophobicContact CD1-CE2 4.31Å; F586-F590 HydrophobicContact CD2-CD2 4.1Å; F586-F590 AromaticContact CD2-CE2 3.87Å; F586-F590 HydrophobicContact CD2-CE2 3.87Å; F586-F590 AromaticContact CE1-CD2 3.63Å; F586-F590 HydrophobicContact CE1-CD2 3.63Å; F586-F590 AromaticContact CE1-CE2 3.78Å; F586-F590 HydrophobicContact CE1-CE2 3.78Å; F586-F590 HydrophobicContact CE1-CG 4.23Å; F586-F590 HydrophobicContact CE1-CZ 4.47Å; F586-F590 AromaticContact CE2-CD2 3.86Å; F586-F590 HydrophobicContact CE2-CD2 3.86Å; F586-F590 AromaticContact CE2-CE2 3.28Å; F586-F590 HydrophobicContact CE2-CE2 3.28Å; F586-F590 HydrophobicContact CE2-CZ 4.08Å; F586-F590 HydrophobicContact CG-CD2 4.13Å; F586-F590 HydrophobicContact CG-CE2 4.35Å; F586-F590 AromaticContact CZ-CD2 3.62Å; F586-F590 HydrophobicContact CZ-CD2 3.62Å; F586-F590 AromaticContact CZ-CE2 3.23Å; F586-F590 HydrophobicContact CZ-CE2 3.23Å; F586-F590 HydrophobicContact CZ-CG 4.44Å; F586-F590 AromaticContact CZ-CZ 3.77Å; F586-F590 HydrophobicContact CZ-CZ 3.77Å; F586-F590 WeakPolarHBondContact O-CD2 3.29Å; F586-F590 PolarHBondContact O-N 3.34Å
587	I	84.1	Confident	87.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-56.5	-47.8	175.3	-65.9	154.2	0	0	0	110	M145 A365 F369 V537 I583 I584 V589 F590 T591	M145-I587 HydrophobicContact SD-CD1 4.48Å; A365-I587 HydrophobicContact CB-CD1 3.31Å; A365-I587 HydrophobicContact CB-CG1 3.78Å; F369-I587 HydrophobicContact CE2-CD1 4.01Å; V537-I587 HydrophobicContact CG1-CB 4.43Å; V537-I587 HydrophobicContact CG1-CG2 4.19Å; V537-I587 HydrophobicContact CG2-CG2 4.22Å; I583-I587 HydrophobicContact CG2-CD1 3.62Å; I583-I587 HydrophobicContact CG2-CG1 4.29Å; I583-I587 WeakPolarHBondContact O-CD1 3.34Å; I583-I587 WeakPolarHBondContact O-CG1 3.26Å; I583-I587 PolarHBondContact O-N 3.22Å; I584-I587 PolarHBondContact O-N 3.04Å; I587-V589 VanDerWaalsContact C-N 3.33Å; I587-V589 PolarHBondContact O-N 3.38Å; I587-F590 PolarHBondContact O-N 3.43Å; I587-F590 VanDerWaalsContact O-N 3.13Å; I587-T591 WeakPolarHBondContact O-CB 3.33Å; I587-T591 PolarHBondContact O-N 3.24Å; I587-T591 PolarHBondContact O-OG1 2.85Å
588	L	85.5	Confident	86.9	Confident	38 Å²	38	60.2 Å²	60.2	20%	0.199	31%	0.312	C	S	.	.	H	α-helix	trans	-55.2	-47.4	179.2	-176.3	60.6	0	0	0	112.2	V537 V538 I584 F585 F586 V592	V537-L588 HydrophobicContact CB-CD1 4.37Å; V537-L588 HydrophobicContact CG1-CB 3.73Å; V537-L588 HydrophobicContact CG1-CD1 4.18Å; V538-L588 HydrophobicContact CG2-CD1 3.58Å; V538-L588 HydrophobicContact CG2-CD2 4.15Å; I584-L588 PolarHBondContact O-N 2.98Å; F585-L588 WeakPolarHBondContact O-CB 3.17Å; F585-L588 PolarHBondContact O-N 3.23Å; F586-L588 VanDerWaalsContact C-N 3.33Å; F586-L588 PolarHBondContact O-N 2.92Å; L588-V592 WeakPolarHBondContact O-CG2 3.13Å; L588-V592 PolarHBondContact O-N 2.92Å
589	V	86.6	Confident	86.5	Confident	59 Å²	59	59.4 Å²	59.4	36%	0.358	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-45.8	177.4	171.3	0	0	0	0	110.8	F585 F586 I587 V592 I593	F585-V589 HydrophobicContact CD1-CG2 4.42Å; F585-V589 HydrophobicContact CE1-CG2 4Å; F585-V589 HydrophobicContact CZ-CG2 4.12Å; F585-V589 WeakPolarHBondContact O-CG2 3.22Å; F585-V589 PolarHBondContact O-N 3.28Å; F586-V589 PolarHBondContact O-N 3.2Å; I587-V589 VanDerWaalsContact C-N 3.33Å; I587-V589 PolarHBondContact O-N 3.38Å; V589-V592 PolarHBondContact O-N 3.33Å; V589-I593 HydrophobicContact CG1-CD1 3.62Å; V589-I593 HydrophobicContact CG1-CG1 4.44Å; V589-I593 VanDerWaalsContact O-CG1 3.31Å; V589-I593 WeakPolarHBondContact O-CG1 3.44Å; V589-I593 PolarHBondContact O-N 3.39Å
590	F	79.7	Confident	86.1	Confident	53 Å²	53	58.6 Å²	58.6	23%	0.232	31%	0.308	C	S	.	.	H	α-helix	trans	-69.1	-37.8	-179.9	-88.1	-93.5	0	0	0	113.5	A358 F586 I587 V592 I593 Q594	A358-F590 HydrophobicContact CB-CD1 3.75Å; A358-F590 HydrophobicContact CB-CE1 3.4Å; A358-F590 HydrophobicContact CB-CZ 4.23Å; F586-F590 AromaticContact CD1-CD2 3.9Å; F586-F590 HydrophobicContact CD1-CD2 3.9Å; F586-F590 HydrophobicContact CD1-CE2 4.31Å; F586-F590 HydrophobicContact CD2-CD2 4.1Å; F586-F590 AromaticContact CD2-CE2 3.87Å; F586-F590 HydrophobicContact CD2-CE2 3.87Å; F586-F590 AromaticContact CE1-CD2 3.63Å; F586-F590 HydrophobicContact CE1-CD2 3.63Å; F586-F590 AromaticContact CE1-CE2 3.78Å; F586-F590 HydrophobicContact CE1-CE2 3.78Å; F586-F590 HydrophobicContact CE1-CG 4.23Å; F586-F590 HydrophobicContact CE1-CZ 4.47Å; F586-F590 AromaticContact CE2-CD2 3.86Å; F586-F590 HydrophobicContact CE2-CD2 3.86Å; F586-F590 AromaticContact CE2-CE2 3.28Å; F586-F590 HydrophobicContact CE2-CE2 3.28Å; F586-F590 HydrophobicContact CE2-CZ 4.08Å; F586-F590 HydrophobicContact CG-CD2 4.13Å; F586-F590 HydrophobicContact CG-CE2 4.35Å; F586-F590 AromaticContact CZ-CD2 3.62Å; F586-F590 HydrophobicContact CZ-CD2 3.62Å; F586-F590 AromaticContact CZ-CE2 3.23Å; F586-F590 HydrophobicContact CZ-CE2 3.23Å; F586-F590 HydrophobicContact CZ-CG 4.44Å; F586-F590 AromaticContact CZ-CZ 3.77Å; F586-F590 HydrophobicContact CZ-CZ 3.77Å; F586-F590 WeakPolarHBondContact O-CD2 3.29Å; F586-F590 PolarHBondContact O-N 3.34Å; I587-F590 PolarHBondContact O-N 3.43Å; I587-F590 VanDerWaalsContact O-N 3.13Å; F590-V592 VanDerWaalsContact C-N 3.27Å; F590-V592 PolarHBondContact O-N 3.38Å; F590-I593 PolarHBondContact O-N 3.46Å; F590-Q594 HydrophobicContact CD1-CG 4.49Å; F590-Q594 WeakPolarHBondContact O-CB 3.27Å; F590-Q594 PolarHBondContact O-N 3.19Å
591	T	78.4	Confident	85.5	Confident	34 Å²	34	62.7 Å²	62.7	21%	0.209	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-33	175.4	-50.9	0	0	0	0	111.6	F534 I587 Y595	F534-T591 HydrophobicContact CD1-CG2 3.97Å; F534-T591 HydrophobicContact CE1-CG2 3.6Å; F534-T591 HydrophobicContact CZ-CG2 4.09Å; I587-T591 WeakPolarHBondContact O-CB 3.33Å; I587-T591 PolarHBondContact O-N 3.24Å; I587-T591 PolarHBondContact O-OG1 2.85Å; T591-Y595 PolarHBondContact O-N 2.67Å
592	V	83.5	Confident	85	Confident	92 Å²	92	70.6 Å²	70.6	56%	0.558	37%	0.365	S	S	*	.	H	α-helix	trans	-74.3	-46.2	173.4	173.5	0	0	0	0	111.6	L588 V589 F590	L588-V592 WeakPolarHBondContact O-CG2 3.13Å; L588-V592 PolarHBondContact O-N 2.92Å; V589-V592 PolarHBondContact O-N 3.33Å; F590-V592 VanDerWaalsContact C-N 3.27Å; F590-V592 PolarHBondContact O-N 3.38Å
593	I	84.1	Confident	84.7	Confident	121 Å²	121	69.6 Å²	69.6	62%	0.621	35%	0.349	S	S	*	.	H	α-helix	trans	-66.1	-39.8	-178.6	-69.4	170.6	0	0	0	112.1	V589 F590	V589-I593 HydrophobicContact CG1-CD1 3.62Å; V589-I593 HydrophobicContact CG1-CG1 4.44Å; V589-I593 VanDerWaalsContact O-CG1 3.31Å; V589-I593 WeakPolarHBondContact O-CG1 3.44Å; V589-I593 PolarHBondContact O-N 3.39Å; F590-I593 PolarHBondContact O-N 3.46Å
594	Q	80.3	Confident	84.8	Confident	79 Å²	79	75.4 Å²	75.4	37%	0.369	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	17.1	-176.1	-58.8	-173.5	-10.3	0	0	113.1	K359 F590 Q596	K359-Q594 VanDerWaalsContact CA-OE1 3.3Å; F590-Q594 HydrophobicContact CD1-CG 4.49Å; F590-Q594 WeakPolarHBondContact O-CB 3.27Å; F590-Q594 PolarHBondContact O-N 3.19Å; Q594-Q596 PolarHBondContact O-N 3.09Å
595	Y	84	Confident	85	Confident	71 Å²	71	76.2 Å²	76.2	28%	0.278	38%	0.379	S	S	.	.			trans	-56.7	129.2	176.1	168.4	-110.2	0	0	0	111.1	Y530 F534 T591 P597 V610 F614	Y530-Y595 AromaticContact CE1-CE2 3.99Å; Y530-Y595 HydrophobicContact CE1-CE2 3.99Å; Y530-Y595 PolarHBondContact OH-OH 3.32Å; F534-Y595 HydrophobicContact CE2-CD2 4.33Å; F534-Y595 AromaticContact CZ-CD2 3.76Å; F534-Y595 HydrophobicContact CZ-CD2 3.76Å; F534-Y595 HydrophobicContact CZ-CE2 4.44Å; F534-Y595 HydrophobicContact CZ-CG 4.46Å; T591-Y595 PolarHBondContact O-N 2.67Å; Y595-P597 HydrophobicContact CE1-CG 4.42Å; Y595-V610 VanDerWaalsContact OH-CG1 3.28Å; Y595-V610 WeakPolarHBondContact OH-CG1 3.3Å; Y595-F614 HydrophobicContact CD1-CZ 4.27Å; Y595-F614 HydrophobicContact CD2-CZ 4.31Å; Y595-F614 HydrophobicContact CE1-CE2 4.02Å; Y595-F614 AromaticContact CE1-CZ 3.76Å; Y595-F614 HydrophobicContact CE1-CZ 3.76Å; Y595-F614 HydrophobicContact CE2-CE2 4.3Å; Y595-F614 AromaticContact CE2-CZ 3.79Å; Y595-F614 HydrophobicContact CE2-CZ 3.79Å; Y595-F614 AromaticContact CZ-CE2 3.66Å; Y595-F614 AromaticContact CZ-CZ 3.49Å; Y595-F614 VanDerWaalsContact CZ-CZ 3.49Å; Y595-F614 WeakPolarHBondContact OH-CE2 3.46Å
596	Q	82.7	Confident	85.3	Confident	140 Å²	140	72 Å²	72	65%	0.654	36%	0.364	S	S	*	.			trans	-125.4	137.7	170.2	-66.5	-169.3	-37.3	0	0	108.8	Q594	Q594-Q596 PolarHBondContact O-N 3.09Å
597	P	86.2	Confident	85.7	Confident	82 Å²	82	70 Å²	70	53%	0.532	37%	0.372	S	S	.	.			trans	-55.8	144.4	172.4	-25.7	35.2	0	0	0	111.9	Y595	Y595-P597 HydrophobicContact CE1-CG 4.42Å
598	I	87.2	Confident	86.2	Confident	15 Å²	15	75.3 Å²	75.3	8%	0.077	39%	0.392	C	S	.	.			trans	-65.8	140.8	175.7	-174.8	178.7	0	0	0	110.6	L525 L526 N529 Y530 Y605	L525-I598 HydrophobicContact CB-CD1 4Å; L525-I598 VanDerWaalsContact O-CD1 3.31Å; L525-I598 WeakPolarHBondContact O-CD1 3.3Å; L526-I598 HydrophobicContact CD1-CG2 4.24Å; N529-I598 HydrophobicContact CB-CD1 3.99Å; N529-I598 VanDerWaalsContact ND2-CD1 3.31Å; N529-I598 WeakPolarHBondContact ND2-CD1 3.37Å; Y530-I598 HydrophobicContact CE2-CB 4.26Å; Y530-I598 HydrophobicContact CE2-CG2 3.79Å; I598-Y605 HydrophobicContact CB-CD2 4.42Å; I598-Y605 HydrophobicContact CB-CE2 4.47Å; I598-Y605 HydrophobicContact CD1-CE1 4.46Å; I598-Y605 HydrophobicContact CD1-CE2 4.13Å; I598-Y605 HydrophobicContact CG1-CD2 4.35Å; I598-Y605 HydrophobicContact CG1-CE2 3.92Å; I598-Y605 HydrophobicContact CG2-CD1 3.96Å; I598-Y605 HydrophobicContact CG2-CD2 3.68Å; I598-Y605 HydrophobicContact CG2-CE1 4.26Å; I598-Y605 HydrophobicContact CG2-CE2 4Å; I598-Y605 HydrophobicContact CG2-CG 3.64Å; I598-Y605 VanDerWaalsContact O-CD2 3.23Å; I598-Y605 WeakPolarHBondContact O-CD2 3.33Å
599	T	86.5	Confident	86.7	Confident	84 Å²	84	73.5 Å²	73.5	52%	0.515	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.7	170.2	58.9	0	0	0	0	110	Y603 Q604	T599-Y603 WeakPolarHBondContact CA-O 3.38Å; T599-Q604 HydrophobicContact CG2-CG 4.23Å
600	Y	85.5	Confident	87	Confident	25 Å²	25	71.7 Å²	71.7	10%	0.098	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109	171.2	179.1	-112.2	0	0	0	109.4	W269 L276 I521 Y522 L525 H602 Y603	W269-Y600 PolarHBondContact NE1-OH 3.41Å; W269-Y600 VanDerWaalsContact NE1-OH 3.15Å; L276-Y600 HydrophobicContact CD2-CE1 4.02Å; I521-Y600 HydrophobicContact CG1-CE2 4.24Å; I521-Y600 HydrophobicContact CG2-CE1 4.27Å; Y522-Y600 HydrophobicContact CD1-CD1 4.13Å; Y522-Y600 HydrophobicContact CD1-CG 4.48Å; Y522-Y600 AromaticContact CE1-CD1 3.65Å; Y522-Y600 HydrophobicContact CE1-CD1 3.65Å; Y522-Y600 HydrophobicContact CE1-CE1 4.4Å; Y522-Y600 HydrophobicContact CE1-CG 4.35Å; L525-Y600 HydrophobicContact CD1-CD2 3.21Å; L525-Y600 HydrophobicContact CD1-CE2 3.64Å; L525-Y600 HydrophobicContact CD1-CG 3.93Å; Y600-H602 PolarHBondContact O-N 2.88Å; Y600-Y603 PolarHBondContact N-O 3.22Å; Y600-Y603 WeakPolarHBondContact O-CB 3.38Å; Y600-Y603 PolarHBondContact O-N 2.9Å
601	N	81.4	Confident	87.7	Confident	86 Å²	86	71.5 Å²	71.5	46%	0.46	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	-112.1	-168.4	-57.3	-1.6	0	0	0	110.2
602	H	81.9	Confident	88.5	Confident	180 Å²	180	72.5 Å²	72.5	83%	0.833	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-7.4	177.5	-56.2	-55.9	0	0	0	114.1	Q260 Y600	Q260-H602 PolarHBondContact NE2-NE2 3.48Å; Y600-H602 PolarHBondContact O-N 2.88Å
603	Y	87.2	Confident	89	Confident	39 Å²	39	68.1 Å²	68.1	15%	0.153	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.6	-179.4	174.6	-92.1	0	0	0	111.4	D279 I280 Y522 T599 Y600 Y605 P606	D279-Y603 PolarHBondContact OD1-OH 3.37Å; I280-Y603 VanDerWaalsContact CG2-OH 3.24Å; I280-Y603 WeakPolarHBondContact CG2-OH 3.45Å; I280-Y603 PolarHBondContact N-OH 3.39Å; I280-Y603 VanDerWaalsContact N-OH 3.17Å; Y522-Y603 AromaticContact CD1-CD1 3.84Å; Y522-Y603 HydrophobicContact CD1-CD1 3.84Å; Y522-Y603 AromaticContact CD1-CE1 3.84Å; Y522-Y603 HydrophobicContact CD1-CE1 3.84Å; Y522-Y603 AromaticContact CE1-CD1 3.55Å; Y522-Y603 HydrophobicContact CE1-CD1 3.55Å; Y522-Y603 HydrophobicContact CE1-CD2 4.35Å; Y522-Y603 AromaticContact CE1-CE1 3.86Å; Y522-Y603 HydrophobicContact CE1-CE1 3.86Å; Y522-Y603 AromaticContact CE1-CG 3.81Å; Y522-Y603 HydrophobicContact CE1-CG 3.81Å; T599-Y603 WeakPolarHBondContact CA-O 3.38Å; Y600-Y603 PolarHBondContact N-O 3.22Å; Y600-Y603 WeakPolarHBondContact O-CB 3.38Å; Y600-Y603 PolarHBondContact O-N 2.9Å; Y603-Y605 AromaticContact CD1-CD2 3.88Å; Y603-Y605 HydrophobicContact CD1-CD2 3.88Å; Y603-Y605 AromaticContact CD1-CE2 3.98Å; Y603-Y605 HydrophobicContact CD1-CE2 3.98Å; Y603-Y605 HydrophobicContact CD1-CG 4.5Å; Y603-Y605 HydrophobicContact CE1-CD1 4.32Å; Y603-Y605 AromaticContact CE1-CD2 3.76Å; Y603-Y605 HydrophobicContact CE1-CD2 3.76Å; Y603-Y605 HydrophobicContact CE1-CE2 4.05Å; Y603-Y605 AromaticContact CE1-CG 3.92Å; Y603-Y605 HydrophobicContact CE1-CG 3.92Å; Y603-P606 VanDerWaalsContact OH-CD 3.23Å; Y603-P606 WeakPolarHBondContact OH-CD 3.13Å
604	Q	91.6	Very high	89.4	Confident	157 Å²	157	65.8 Å²	65.8	73%	0.734	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.2	173.2	-62.3	-172.8	3.5	0	0	109.7	T599	T599-Q604 HydrophobicContact CG2-CG 4.23Å
605	Y	93.5	Very high	90	Very high	17 Å²	17	67.4 Å²	67.4	7%	0.067	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-73.8	135.4	-176.6	-76.6	-117.8	0	0	0	110.8	I280 Y522 L525 L526 I598 Y603 A609	I280-Y605 HydrophobicContact CD1-CD1 3.98Å; I280-Y605 HydrophobicContact CD1-CE1 3.83Å; Y522-Y605 WeakPolarHBondContact CA-OH 3.39Å; Y522-Y605 WeakPolarHBondContact O-CE1 3.29Å; Y522-Y605 PolarHBondContact O-OH 3.4Å; L525-Y605 WeakPolarHBondContact CB-OH 3.28Å; L526-Y605 HydrophobicContact CB-CE1 4.15Å; L526-Y605 HydrophobicContact CD1-CD1 4.14Å; L526-Y605 HydrophobicContact CD1-CE1 4.3Å; I598-Y605 HydrophobicContact CB-CD2 4.42Å; I598-Y605 HydrophobicContact CB-CE2 4.47Å; I598-Y605 HydrophobicContact CD1-CE1 4.46Å; I598-Y605 HydrophobicContact CD1-CE2 4.13Å; I598-Y605 HydrophobicContact CG1-CD2 4.35Å; I598-Y605 HydrophobicContact CG1-CE2 3.92Å; I598-Y605 HydrophobicContact CG2-CD1 3.96Å; I598-Y605 HydrophobicContact CG2-CD2 3.68Å; I598-Y605 HydrophobicContact CG2-CE1 4.26Å; I598-Y605 HydrophobicContact CG2-CE2 4Å; I598-Y605 HydrophobicContact CG2-CG 3.64Å; I598-Y605 VanDerWaalsContact O-CD2 3.23Å; I598-Y605 WeakPolarHBondContact O-CD2 3.33Å; Y603-Y605 AromaticContact CD1-CD2 3.88Å; Y603-Y605 HydrophobicContact CD1-CD2 3.88Å; Y603-Y605 AromaticContact CD1-CE2 3.98Å; Y603-Y605 HydrophobicContact CD1-CE2 3.98Å; Y603-Y605 HydrophobicContact CD1-CG 4.5Å; Y603-Y605 HydrophobicContact CE1-CD1 4.32Å; Y603-Y605 AromaticContact CE1-CD2 3.76Å; Y603-Y605 HydrophobicContact CE1-CD2 3.76Å; Y603-Y605 HydrophobicContact CE1-CE2 4.05Å; Y603-Y605 AromaticContact CE1-CG 3.92Å; Y603-Y605 HydrophobicContact CE1-CG 3.92Å; Y605-A609 HydrophobicContact CD1-CB 4.36Å
606	P	95	Very high	90.4	Very high	35 Å²	35	65 Å²	65	23%	0.227	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-66.3	150.8	177.8	28.1	-35.6	0	0	0	111.1	I280 Y603 W608 A609 V610	I280-P606 HydrophobicContact CG2-CG 3.82Å; Y603-P606 VanDerWaalsContact OH-CD 3.23Å; Y603-P606 WeakPolarHBondContact OH-CD 3.13Å; P606-W608 HydrophobicContact CG-CD2 4.42Å; P606-W608 HydrophobicContact CG-CZ2 4.03Å; P606-W608 VanDerWaalsContact CG-NE1 3.32Å; P606-W608 PolarHBondContact O-N 3.06Å; P606-W608 VanDerWaalsContact O-N 3.07Å; P606-A609 HydrophobicContact CG-CB 4.01Å; P606-A609 WeakPolarHBondContact O-CB 3.44Å; P606-A609 PolarHBondContact O-N 3.12Å; P606-V610 PolarHBondContact O-N 3.29Å
607	G	94.8	Very high	90.9	Very high	60 Å²	60	58.7 Å²	58.7	62%	0.619	32%	0.316	S	S	*	.	H	α-helix	trans	-57.1	-29.4	-173.8	0	0	0	0	0	114.7	A611	G607-A611 WeakPolarHBondContact O-CB 3.34Å; G607-A611 PolarHBondContact O-N 3.5Å
608	W	95.5	Very high	91.2	Very high	115 Å²	115	58.7 Å²	58.7	44%	0.436	31%	0.311	S	S	.	.	H	α-helix	trans	-68.6	-36.3	174.7	68.7	-100	0	0	0	112.5	I280 W523 P606 A611 I612	I280-W608 HydrophobicContact CG2-CH2 3.76Å; I280-W608 HydrophobicContact CG2-CZ2 3.63Å; W523-W608 HydrophobicContact CH2-CZ3 4.08Å; W523-W608 HydrophobicContact CZ2-CH2 4.15Å; W523-W608 HydrophobicContact CZ2-CZ3 4.15Å; P606-W608 HydrophobicContact CG-CD2 4.42Å; P606-W608 HydrophobicContact CG-CZ2 4.03Å; P606-W608 VanDerWaalsContact CG-NE1 3.32Å; P606-W608 PolarHBondContact O-N 3.06Å; P606-W608 VanDerWaalsContact O-N 3.07Å; W608-A611 PolarHBondContact O-N 3.39Å; W608-I612 HydrophobicContact CE3-CD1 3.65Å; W608-I612 HydrophobicContact CZ3-CD1 3.72Å; W608-I612 WeakPolarHBondContact O-CG1 3.26Å; W608-I612 PolarHBondContact O-N 3.18Å
609	A	95	Very high	91.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.6	-40.5	176.7	0	0	0	0	0	110.7	I280 Y605 P606 A611 I612 G613	I280-A609 HydrophobicContact CD1-CB 4.1Å; I280-A609 HydrophobicContact CG2-CB 3.95Å; Y605-A609 HydrophobicContact CD1-CB 4.36Å; P606-A609 HydrophobicContact CG-CB 4.01Å; P606-A609 WeakPolarHBondContact O-CB 3.44Å; P606-A609 PolarHBondContact O-N 3.12Å; A609-A611 VanDerWaalsContact C-N 3.32Å; A609-A611 PolarHBondContact O-N 2.99Å; A609-I612 PolarHBondContact O-N 3.12Å; A609-G613 PolarHBondContact O-N 3.26Å
610	V	93.6	Very high	91.8	Very high	21 Å²	21	56 Å²	56	13%	0.127	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-41.9	171.3	174.9	0	0	0	0	111.2	Y595 P606 G613 F614	Y595-V610 VanDerWaalsContact OH-CG1 3.28Å; Y595-V610 WeakPolarHBondContact OH-CG1 3.3Å; P606-V610 PolarHBondContact O-N 3.29Å; V610-G613 WeakPolarHBondContact O-CA 3.33Å; V610-G613 PolarHBondContact O-N 3.13Å; V610-G613 VanDerWaalsContact O-N 3.17Å; V610-F614 HydrophobicContact CG1-CD2 3.94Å; V610-F614 HydrophobicContact CG1-CE2 3.79Å; V610-F614 WeakPolarHBondContact O-CD2 3.48Å; V610-F614 PolarHBondContact O-N 2.87Å
611	A	94.6	Very high	92.2	Very high	48 Å²	48	56.4 Å²	56.4	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-40.5	174.7	0	0	0	0	0	112.5	G607 W608 A609 G613 F614 L615	G607-A611 WeakPolarHBondContact O-CB 3.34Å; G607-A611 PolarHBondContact O-N 3.5Å; W608-A611 PolarHBondContact O-N 3.39Å; A609-A611 VanDerWaalsContact C-N 3.32Å; A609-A611 PolarHBondContact O-N 2.99Å; A611-G613 VanDerWaalsContact C-N 3.33Å; A611-G613 PolarHBondContact O-N 2.72Å; A611-F614 PolarHBondContact O-N 2.87Å; A611-L615 WeakPolarHBondContact O-CG 3.27Å; A611-L615 PolarHBondContact O-N 2.93Å
612	I	94.7	Very high	92.9	Very high	56 Å²	56	56.1 Å²	56.1	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-41.9	171.8	-69.3	172.9	0	0	0	111	W523 W608 A609 F614 L615 M616	W523-I612 HydrophobicContact CH2-CD1 4.11Å; W523-I612 HydrophobicContact CZ3-CG2 4.19Å; W608-I612 HydrophobicContact CE3-CD1 3.65Å; W608-I612 HydrophobicContact CZ3-CD1 3.72Å; W608-I612 WeakPolarHBondContact O-CG1 3.26Å; W608-I612 PolarHBondContact O-N 3.18Å; A609-I612 PolarHBondContact O-N 3.12Å; I612-F614 PolarHBondContact O-N 3.43Å; I612-L615 PolarHBondContact O-N 3.43Å; I612-L615 VanDerWaalsContact O-N 3.15Å; I612-M616 WeakPolarHBondContact O-CG 3.45Å; I612-M616 PolarHBondContact O-N 3.1Å
613	G	93.2	Very high	93.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.1	-49.6	172.8	0	0	0	0	0	112.2	Y530 A609 V610 A611 L615 M616 A617	Y530-G613 WeakPolarHBondContact CB-O 3.44Å; A609-G613 PolarHBondContact O-N 3.26Å; V610-G613 WeakPolarHBondContact O-CA 3.33Å; V610-G613 PolarHBondContact O-N 3.13Å; V610-G613 VanDerWaalsContact O-N 3.17Å; A611-G613 VanDerWaalsContact C-N 3.33Å; A611-G613 PolarHBondContact O-N 2.72Å; G613-L615 PolarHBondContact O-N 3.18Å; G613-M616 WeakPolarHBondContact O-CB 3.41Å; G613-M616 PolarHBondContact O-N 3.27Å; G613-A617 PolarHBondContact O-N 3.31Å
614	F	92.6	Very high	94	Very high	71 Å²	71	47.5 Å²	47.5	31%	0.311	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-37.6	174.6	-79.9	-67.8	0	0	0	113.4	Y530 Y595 V610 A611 I612 M616 A617 L618	Y530-F614 HydrophobicContact CE1-CD2 4.18Å; Y530-F614 HydrophobicContact CE1-CE1 4.34Å; Y530-F614 HydrophobicContact CE1-CE2 4.01Å; Y530-F614 HydrophobicContact CE1-CG 4.43Å; Y530-F614 HydrophobicContact CE1-CZ 4.09Å; Y595-F614 HydrophobicContact CD1-CZ 4.27Å; Y595-F614 HydrophobicContact CD2-CZ 4.31Å; Y595-F614 HydrophobicContact CE1-CE2 4.02Å; Y595-F614 AromaticContact CE1-CZ 3.76Å; Y595-F614 HydrophobicContact CE1-CZ 3.76Å; Y595-F614 HydrophobicContact CE2-CE2 4.3Å; Y595-F614 AromaticContact CE2-CZ 3.79Å; Y595-F614 HydrophobicContact CE2-CZ 3.79Å; Y595-F614 AromaticContact CZ-CE2 3.66Å; Y595-F614 AromaticContact CZ-CZ 3.49Å; Y595-F614 VanDerWaalsContact CZ-CZ 3.49Å; Y595-F614 WeakPolarHBondContact OH-CE2 3.46Å; V610-F614 HydrophobicContact CG1-CD2 3.94Å; V610-F614 HydrophobicContact CG1-CE2 3.79Å; V610-F614 WeakPolarHBondContact O-CD2 3.48Å; V610-F614 PolarHBondContact O-N 2.87Å; A611-F614 PolarHBondContact O-N 2.87Å; I612-F614 PolarHBondContact O-N 3.43Å; F614-M616 VanDerWaalsContact C-N 3.32Å; F614-M616 PolarHBondContact O-N 3.29Å; F614-A617 PolarHBondContact O-N 3.27Å; F614-L618 VanDerWaalsContact O-CB 3.31Å; F614-L618 WeakPolarHBondContact O-CB 3.36Å; F614-L618 VanDerWaalsContact O-CG 3.22Å; F614-L618 WeakPolarHBondContact O-CG 3.43Å; F614-L618 PolarHBondContact O-N 2.9Å
615	L	93.8	Very high	94.2	Very high	113 Å²	113	43 Å²	43	59%	0.592	25%	0.248	S	C	*	.	H	α-helix	trans	-64.3	-35.2	174.4	-70.8	170.5	0	0	0	112.3	A611 I612 G613 S619	A611-L615 WeakPolarHBondContact O-CG 3.27Å; A611-L615 PolarHBondContact O-N 2.93Å; I612-L615 PolarHBondContact O-N 3.43Å; I612-L615 VanDerWaalsContact O-N 3.15Å; G613-L615 PolarHBondContact O-N 3.18Å; L615-S619 WeakPolarHBondContact O-CB 3.45Å; L615-S619 PolarHBondContact O-N 3.46Å
616	M	92.9	Very high	94.2	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.103	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-41.5	172.2	-72.1	-173.7	74	0	0	112.8	Y191 M527 A531 I612 G613 F614 S619	Y191-M616 HydrophobicContact CD1-CE 3.53Å; Y191-M616 HydrophobicContact CD2-CE 3.98Å; Y191-M616 HydrophobicContact CE1-CE 3.74Å; Y191-M616 HydrophobicContact CE2-CB 4.39Å; Y191-M616 HydrophobicContact CE2-CE 4.14Å; Y191-M616 HydrophobicContact CG-CE 3.67Å; M527-M616 HydrophobicContact CB-CE 4.27Å; M527-M616 HydrophobicContact CE-CE 3.72Å; M527-M616 HydrophobicContact CG-CE 3.74Å; M527-M616 HydrophobicContact CG-SD 4.05Å; M527-M616 HydrophobicContact SD-CE 4.4Å; A531-M616 HydrophobicContact CB-CE 3.86Å; I612-M616 WeakPolarHBondContact O-CG 3.45Å; I612-M616 PolarHBondContact O-N 3.1Å; G613-M616 WeakPolarHBondContact O-CB 3.41Å; G613-M616 PolarHBondContact O-N 3.27Å; F614-M616 VanDerWaalsContact C-N 3.32Å; F614-M616 PolarHBondContact O-N 3.29Å; M616-S619 PolarHBondContact O-OG 3.08Å
617	A	91.1	Very high	94.2	Very high	7 Å²	7	47.4 Å²	47.4	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-50.2	174.4	0	0	0	0	0	110.3	Y530 F534 S535 G613 F614 S619 S620 V621	Y530-A617 WeakPolarHBondContact O-CB 3.42Å; F534-A617 HydrophobicContact CB-CB 4.42Å; S535-A617 PolarHBondContact OG-O 3.25Å; G613-A617 PolarHBondContact O-N 3.31Å; F614-A617 PolarHBondContact O-N 3.27Å; A617-S619 VanDerWaalsContact C-N 3.35Å; A617-S619 PolarHBondContact O-N 3.17Å; A617-S620 PolarHBondContact O-N 3.44Å; A617-S620 PolarHBondContact O-OG 3.37Å; A617-V621 PolarHBondContact O-N 3.23Å
618	L	92.5	Very high	94.2	Very high	82 Å²	82	45.3 Å²	45.3	43%	0.429	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-34.5	-179.4	-72.3	170.5	0	0	0	113.1	F614 S620 V621 L622	F614-L618 VanDerWaalsContact O-CB 3.31Å; F614-L618 WeakPolarHBondContact O-CB 3.36Å; F614-L618 VanDerWaalsContact O-CG 3.22Å; F614-L618 WeakPolarHBondContact O-CG 3.43Å; F614-L618 PolarHBondContact O-N 2.9Å; L618-S620 VanDerWaalsContact C-N 3.26Å; L618-S620 PolarHBondContact O-N 2.92Å; L618-V621 PolarHBondContact O-N 2.86Å; L618-L622 HydrophobicContact CB-CD1 4.14Å; L618-L622 HydrophobicContact CB-CG 4.47Å; L618-L622 WeakPolarHBondContact O-CB 3.46Å; L618-L622 WeakPolarHBondContact O-CG 3.45Å; L618-L622 PolarHBondContact O-N 2.98Å
619	S	94.7	Very high	94.1	Very high	42 Å²	42	45.5 Å²	45.5	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-40.7	-178.6	73	0	0	0	0	112.1	Y191 L615 M616 A617 C623	Y191-S619 WeakPolarHBondContact CE2-OG 3.37Å; Y191-S619 PolarHBondContact OH-OG 2.8Å; L615-S619 WeakPolarHBondContact O-CB 3.45Å; L615-S619 PolarHBondContact O-N 3.46Å; M616-S619 PolarHBondContact O-OG 3.08Å; A617-S619 VanDerWaalsContact C-N 3.35Å; A617-S619 PolarHBondContact O-N 3.17Å; S619-C623 PolarHBondContact O-SG 3.37Å
620	S	93.6	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-75.7	-38.4	177.3	70	0	0	0	0	113.5	G184 S535 A617 L618 C623	G184-S620 VanDerWaalsContact CA-O 3.3Å; G184-S620 WeakPolarHBondContact CA-O 3.49Å; S535-S620 WeakPolarHBondContact CB-OG 3.33Å; S535-S620 PolarHBondContact OG-OG 2.9Å; A617-S620 PolarHBondContact O-N 3.44Å; A617-S620 PolarHBondContact O-OG 3.37Å; L618-S620 VanDerWaalsContact C-N 3.26Å; L618-S620 PolarHBondContact O-N 2.92Å; S620-C623 WeakPolarHBondContact O-CB 3.31Å
621	V	93.9	Very high	94	Very high	34 Å²	34	52.8 Å²	52.8	21%	0.206	28%	0.28	C	S	.	.	H	α-helix	trans	-71.5	-39.6	179.7	174.9	0	0	0	0	111.2	V538 A617 L618 C623 I624 P625	V538-V621 HydrophobicContact CB-CG2 4.28Å; V538-V621 HydrophobicContact CG1-CG1 3.88Å; V538-V621 HydrophobicContact CG1-CG2 4.36Å; A617-V621 PolarHBondContact O-N 3.23Å; L618-V621 PolarHBondContact O-N 2.86Å; V621-C623 PolarHBondContact O-N 3.03Å; V621-I624 WeakPolarHBondContact O-CB 3.4Å; V621-I624 PolarHBondContact O-N 2.99Å; V621-I624 VanDerWaalsContact O-N 3.08Å; V621-P625 WeakPolarHBondContact O-CD 3.4Å
622	L	95.1	Very high	93.8	Very high	81 Å²	81	52.9 Å²	52.9	42%	0.424	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-22	179.5	-72.9	171.8	0	0	0	113.1	L618 I624 P625 L626	L618-L622 HydrophobicContact CB-CD1 4.14Å; L618-L622 HydrophobicContact CB-CG 4.47Å; L618-L622 WeakPolarHBondContact O-CB 3.46Å; L618-L622 WeakPolarHBondContact O-CG 3.45Å; L618-L622 PolarHBondContact O-N 2.98Å; L622-I624 PolarHBondContact O-N 2.71Å; L622-I624 VanDerWaalsContact O-N 3.14Å; L622-P625 HydrophobicContact CD2-CG 4.32Å; L622-P625 VanDerWaalsContact O-CD 3.27Å; L622-P625 WeakPolarHBondContact O-CD 3.27Å; L622-P625 WeakPolarHBondContact O-CG 3.38Å; L622-L626 HydrophobicContact CB-CD1 4.09Å; L622-L626 VanDerWaalsContact O-CB 3.24Å; L622-L626 WeakPolarHBondContact O-CB 3.25Å; L622-L626 WeakPolarHBondContact O-CD1 3.47Å; L622-L626 WeakPolarHBondContact O-CG 3.38Å; L622-L626 PolarHBondContact O-N 3.44Å
623	C	95.7	Very high	93.5	Very high	28 Å²	28	54.8 Å²	54.8	19%	0.189	29%	0.291	C	S	.	.	H	α-helix	trans	-52.6	-33.5	169.8	-65.6	0	0	0	0	112.4	G180 S619 S620 V621 Y627	G180-C623 VanDerWaalsContact CA-O 3.26Å; G180-C623 WeakPolarHBondContact CA-O 3.32Å; G180-C623 WeakPolarHBondContact O-CB 3.45Å; S619-C623 PolarHBondContact O-SG 3.37Å; S620-C623 WeakPolarHBondContact O-CB 3.31Å; V621-C623 PolarHBondContact O-N 3.03Å; C623-Y627 WeakPolarHBondContact O-CB 3.07Å; C623-Y627 PolarHBondContact O-N 3.45Å; C623-Y627 VanDerWaalsContact O-N 3.1Å
624	I	95.6	Very high	93.3	Very high	10 Å²	10	63.5 Å²	63.5	5%	0.051	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-63.3	-178.3	-51.8	172.7	0	0	0	111.9	F178 V181 I539 I542 V621 L622 L626 Y627 A628	F178-I624 HydrophobicContact CD1-CG2 4.45Å; V181-I624 HydrophobicContact CG2-CD1 4.01Å; V181-I624 HydrophobicContact CG2-CG1 4.01Å; V181-I624 HydrophobicContact CG2-CG2 4.1Å; I539-I624 HydrophobicContact CG1-CD1 4.25Å; I542-I624 HydrophobicContact CD1-CD1 3.64Å; I542-I624 HydrophobicContact CD1-CG2 4.25Å; I542-I624 HydrophobicContact CG2-CG2 4.27Å; V621-I624 WeakPolarHBondContact O-CB 3.4Å; V621-I624 PolarHBondContact O-N 2.99Å; V621-I624 VanDerWaalsContact O-N 3.08Å; L622-I624 PolarHBondContact O-N 2.71Å; L622-I624 VanDerWaalsContact O-N 3.14Å; I624-L626 PolarHBondContact O-N 3.23Å; I624-Y627 PolarHBondContact O-N 3.46Å; I624-A628 WeakPolarHBondContact O-CB 3.28Å; I624-A628 PolarHBondContact O-N 3.01Å
625	P	95.8	Very high	93.2	Very high	61 Å²	61	61 Å²	61	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-65.1	-37.4	179.4	26.7	-35.4	0	0	0	112.8	V621 L622 Y627 A628 M629	V621-P625 WeakPolarHBondContact O-CD 3.4Å; L622-P625 HydrophobicContact CD2-CG 4.32Å; L622-P625 VanDerWaalsContact O-CD 3.27Å; L622-P625 WeakPolarHBondContact O-CD 3.27Å; L622-P625 WeakPolarHBondContact O-CG 3.38Å; P625-Y627 PolarHBondContact O-N 2.73Å; P625-A628 PolarHBondContact O-N 2.9Å; P625-M629 WeakPolarHBondContact O-CB 3.35Å; P625-M629 WeakPolarHBondContact O-CG 3.37Å; P625-M629 PolarHBondContact O-N 3.43Å
626	L	95.4	Very high	92.7	Very high	109 Å²	109	62.3 Å²	62.3	57%	0.571	32%	0.322	S	S	*	.	H	α-helix	trans	-63.2	-44.1	179.3	-68.1	173.6	0	0	0	111.5	L622 I624 F630	L622-L626 HydrophobicContact CB-CD1 4.09Å; L622-L626 VanDerWaalsContact O-CB 3.24Å; L622-L626 WeakPolarHBondContact O-CB 3.25Å; L622-L626 WeakPolarHBondContact O-CD1 3.47Å; L622-L626 WeakPolarHBondContact O-CG 3.38Å; L622-L626 PolarHBondContact O-N 3.44Å; I624-L626 PolarHBondContact O-N 3.23Å; L626-F630 WeakPolarHBondContact O-CB 3.39Å; L626-F630 PolarHBondContact O-N 2.9Å
627	Y	95	Very high	92.2	Very high	37 Å²	37	61.9 Å²	61.9	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-69.6	-39	176.2	-162.2	-87	0	0	0	112	P176 K179 Y183 C623 I624 P625 F630 R631	P176-Y627 WeakPolarHBondContact O-CE1 3.47Å; K179-Y627 HydrophobicContact CB-CD1 3.86Å; K179-Y627 HydrophobicContact CB-CE1 3.52Å; K179-Y627 HydrophobicContact CD-CE1 4.16Å; K179-Y627 HydrophobicContact CG-CE1 4.28Å; Y183-Y627 HydrophobicContact CD2-CD2 4.03Å; Y183-Y627 HydrophobicContact CD2-CE2 4.38Å; Y183-Y627 AromaticContact CE2-CD2 3.69Å; Y183-Y627 HydrophobicContact CE2-CD2 3.69Å; Y183-Y627 AromaticContact CE2-CE2 3.6Å; Y183-Y627 HydrophobicContact CE2-CE2 3.6Å; C623-Y627 WeakPolarHBondContact O-CB 3.07Å; C623-Y627 PolarHBondContact O-N 3.45Å; C623-Y627 VanDerWaalsContact O-N 3.1Å; I624-Y627 PolarHBondContact O-N 3.46Å; P625-Y627 PolarHBondContact O-N 2.73Å; Y627-F630 HydrophobicContact CD2-CD1 4.49Å; Y627-F630 HydrophobicContact CE2-CD1 4.25Å; Y627-F630 HydrophobicContact CE2-CE1 4.49Å; Y627-F630 PolarHBondContact O-N 3.45Å; Y627-R631 HydrophobicContact CD1-CG 3.6Å; Y627-R631 HydrophobicContact CE1-CG 3.2Å; Y627-R631 WeakPolarHBondContact O-CG 3.21Å; Y627-R631 PolarHBondContact O-N 3.23Å
628	A	94.6	Very high	91.9	Very high	15 Å²	15	68.7 Å²	68.7	12%	0.124	36%	0.358	C	S	.	.	H	α-helix	trans	-59.3	-47.4	175.5	0	0	0	0	0	111.5	M177 I624 P625 R631 L632	M177-A628 HydrophobicContact CG-CB 3.71Å; I624-A628 WeakPolarHBondContact O-CB 3.28Å; I624-A628 PolarHBondContact O-N 3.01Å; P625-A628 PolarHBondContact O-N 2.9Å; A628-R631 PolarHBondContact O-N 3.42Å; A628-L632 WeakPolarHBondContact O-CB 3.3Å; A628-L632 VanDerWaalsContact O-CG 3.26Å; A628-L632 WeakPolarHBondContact O-CG 3.42Å; A628-L632 PolarHBondContact O-N 3.43Å
629	M	93.4	Very high	91.7	Very high	119 Å²	119	68.5 Å²	68.5	59%	0.586	36%	0.361	S	S	*	.	H	α-helix	trans	-59.6	-48.5	174.1	-73.3	178.3	67.1	0	0	111.8	P625 R631 L632 C633	P625-M629 WeakPolarHBondContact O-CB 3.35Å; P625-M629 WeakPolarHBondContact O-CG 3.37Å; P625-M629 PolarHBondContact O-N 3.43Å; M629-R631 VanDerWaalsContact C-N 3.3Å; M629-R631 PolarHBondContact O-N 3.37Å; M629-L632 PolarHBondContact O-N 2.88Å; M629-C633 PolarHBondContact O-N 3.19Å; M629-C633 PolarHBondContact O-SG 3.37Å; M629-C633 VanDerWaalsContact O-SG 3.32Å
630	F	93.4	Very high	91.4	Very high	89 Å²	89	73.7 Å²	73.7	39%	0.39	38%	0.384	S	S	.	.	H	α-helix	trans	-56.4	-41.7	177.2	171.2	-101.6	0	0	0	112.7	L626 Y627 R634	L626-F630 WeakPolarHBondContact O-CB 3.39Å; L626-F630 PolarHBondContact O-N 2.9Å; Y627-F630 HydrophobicContact CD2-CD1 4.49Å; Y627-F630 HydrophobicContact CE2-CD1 4.25Å; Y627-F630 HydrophobicContact CE2-CE1 4.49Å; Y627-F630 PolarHBondContact O-N 3.45Å; F630-R634 PolarHBondContact O-N 3.08Å
631	R	92	Very high	91.1	Very high	85 Å²	85	79.8 Å²	79.8	32%	0.321	42%	0.416	S	S	.	.	H	α-helix	trans	-69.8	-42.4	175.3	-69	-58.6	-60.8	-164.3	1	112.7	Y627 A628 M629 C633 R634 T635	Y627-R631 HydrophobicContact CD1-CG 3.6Å; Y627-R631 HydrophobicContact CE1-CG 3.2Å; Y627-R631 WeakPolarHBondContact O-CG 3.21Å; Y627-R631 PolarHBondContact O-N 3.23Å; A628-R631 PolarHBondContact O-N 3.42Å; M629-R631 VanDerWaalsContact C-N 3.3Å; M629-R631 PolarHBondContact O-N 3.37Å; R631-C633 VanDerWaalsContact C-N 3.29Å; R631-C633 PolarHBondContact O-N 3.02Å; R631-R634 CarbonylContact O-C 3.55Å; R631-R634 PolarHBondContact O-N 2.71Å; R631-R634 VanDerWaalsContact O-N 3.12Å; R631-T635 WeakPolarHBondContact O-CB 3.22Å; R631-T635 PolarHBondContact O-N 2.96Å; R631-T635 PolarHBondContact O-OG1 2.96Å
632	L	90.6	Very high	90.9	Very high	50 Å²	50	81.9 Å²	81.9	26%	0.262	42%	0.424	S	S	.	.	H	α-helix	trans	-61.8	-37.7	177.8	-72.9	167.4	0	0	0	112	M177 A628 M629 R634 L644 A647	M177-L632 HydrophobicContact SD-CD1 4.41Å; M177-L632 HydrophobicContact SD-CD2 4.37Å; M177-L632 HydrophobicContact SD-CG 4.47Å; A628-L632 WeakPolarHBondContact O-CB 3.3Å; A628-L632 VanDerWaalsContact O-CG 3.26Å; A628-L632 WeakPolarHBondContact O-CG 3.42Å; A628-L632 PolarHBondContact O-N 3.43Å; M629-L632 PolarHBondContact O-N 2.88Å; L632-R634 VanDerWaalsContact C-N 3.29Å; L632-R634 PolarHBondContact O-N 2.96Å; L632-L644 HydrophobicContact CD2-CB 4.19Å; L632-L644 HydrophobicContact CD2-CD1 3.99Å; L632-A647 HydrophobicContact CD2-CB 3.98Å
633	C	89.6	Confident	90.7	Very high	96 Å²	96	82.3 Å²	82.3	65%	0.649	42%	0.42	S	S	*	.	H	α-helix	trans	-68.5	-24.9	175.3	-68	0	0	0	0	113.8	M629 R631	M629-C633 PolarHBondContact O-N 3.19Å; M629-C633 PolarHBondContact O-SG 3.37Å; M629-C633 VanDerWaalsContact O-SG 3.32Å; R631-C633 VanDerWaalsContact C-N 3.29Å; R631-C633 PolarHBondContact O-N 3.02Å
634	R	89	Confident	90.4	Very high	183 Å²	183	84.4 Å²	84.4	69%	0.691	43%	0.429	S	S	*	.	H	α-helix	trans	-105.5	0.8	-178.7	-73.6	-170.8	171.6	-164.1	0.8	115	F630 R631 L632	F630-R634 PolarHBondContact O-N 3.08Å; R631-R634 CarbonylContact O-C 3.55Å; R631-R634 PolarHBondContact O-N 2.71Å; R631-R634 VanDerWaalsContact O-N 3.12Å; L632-R634 VanDerWaalsContact C-N 3.29Å; L632-R634 PolarHBondContact O-N 2.96Å
635	T	88.6	Confident	90.1	Very high	19 Å²	19	90.6 Å²	90.6	12%	0.117	46%	0.455	C	S	.	.	S	Bend	trans	-95.5	130.7	-179.1	-59.3	0	0	0	0	110	R631 R643 N646 A647	R631-T635 WeakPolarHBondContact O-CB 3.22Å; R631-T635 PolarHBondContact O-N 2.96Å; R631-T635 PolarHBondContact O-OG1 2.96Å; T635-R643 VanDerWaalsContact O-CD 3.32Å; T635-R643 WeakPolarHBondContact O-CD 3.1Å; T635-R643 VanDerWaalsContact O-CG 3.31Å; T635-R643 WeakPolarHBondContact O-CG 3.29Å; T635-N646 HydrophobicContact CG2-CB 3.55Å; T635-A647 HydrophobicContact CG2-CB 4.39Å
636	D	84.1	Confident	89.8	Confident	140 Å²	140	90.2 Å²	90.2	75%	0.749	45%	0.45	S	S	*	.			trans	-68.2	141.3	-179.3	-54.8	-54.8	0	0	0	112.7	N646	D636-N646 PolarHBondContact O-ND2 3.21Å
637	G	82.8	Confident	89.5	Confident	12 Å²	12	85.2 Å²	85.2	12%	0.124	42%	0.424	C	S	.	.			trans	156.2	141.1	178.4	0	0	0	0	0	111.5	T639 R643	G637-T639 VanDerWaalsContact C-N 3.33Å; G637-R643 WeakPolarHBondContact O-CG 3.4Å; G637-R643 PolarHBondContact O-NE 3.38Å; G637-R643 PolarHBondContact O-NH2 2.98Å
638	D	83.7	Confident	89.3	Confident	150 Å²	150	84.9 Å²	84.9	80%	0.802	43%	0.426	S	S	*	.	S	Bend	trans	-77.3	-24.8	-173.3	-49.5	-56.5	0	0	0	112
639	T	90.3	Very high	89.1	Confident	79 Å²	79	88.9 Å²	88.9	49%	0.485	44%	0.44	S	S	.	.	S	Bend	trans	-118.5	150.9	177.7	64	0	0	0	0	112	G637 L641 Q642 R643	G637-T639 VanDerWaalsContact C-N 3.33Å; T639-L641 PolarHBondContact O-N 2.93Å; T639-Q642 WeakPolarHBondContact O-CB 3.48Å; T639-Q642 PolarHBondContact O-N 3.28Å; T639-Q642 VanDerWaalsContact OG1-CB 3.28Å; T639-Q642 WeakPolarHBondContact OG1-CB 3.05Å; T639-Q642 PolarHBondContact OG1-N 3.41Å; T639-R643 PolarHBondContact O-N 3.15Å
640	L	87.1	Confident	89.1	Confident	150 Å²	150	85.9 Å²	85.9	79%	0.785	43%	0.43	S	S	*	.	H	α-helix	trans	-55.3	-37.5	174.9	-69.4	175	0	0	0	112.4	R643 L644	L640-R643 PolarHBondContact O-N 3.21Å; L640-L644 VanDerWaalsContact O-CB 3.3Å; L640-L644 WeakPolarHBondContact O-CB 3.26Å; L640-L644 PolarHBondContact O-N 3.27Å
641	L	87.8	Confident	88.8	Confident	128 Å²	128	83.7 Å²	83.7	67%	0.67	43%	0.426	S	S	*	.	H	α-helix	trans	-65.8	-38.2	177.5	-175.5	63.3	0	0	0	112.2	T639 K645	T639-L641 PolarHBondContact O-N 2.93Å; L641-K645 VanDerWaalsContact O-CB 3.27Å; L641-K645 WeakPolarHBondContact O-CB 3.02Å; L641-K645 PolarHBondContact O-N 3.37Å
642	Q	89.5	Confident	88.5	Confident	79 Å²	79	91.5 Å²	91.5	37%	0.369	46%	0.455	S	S	.	.	H	α-helix	trans	-70.4	-41.8	176	-174.6	176.9	-2.6	0	0	111.6	T639 K645 N646	T639-Q642 WeakPolarHBondContact O-CB 3.48Å; T639-Q642 PolarHBondContact O-N 3.28Å; T639-Q642 VanDerWaalsContact OG1-CB 3.28Å; T639-Q642 WeakPolarHBondContact OG1-CB 3.05Å; T639-Q642 PolarHBondContact OG1-N 3.41Å; Q642-K645 PolarHBondContact O-N 3.45Å; Q642-N646 WeakPolarHBondContact O-CB 3.28Å; Q642-N646 VanDerWaalsContact O-CG 3.25Å; Q642-N646 PolarHBondContact O-N 2.58Å; Q642-N646 PolarHBondContact O-ND2 3.49Å
643	R	90	Very high	88.2	Confident	89 Å²	89	91.9 Å²	91.9	34%	0.336	46%	0.457	S	S	.	.	H	α-helix	trans	-60.4	-45.4	172.8	-64.1	-170.8	-171.7	-166.3	-1.1	111.6	T635 G637 T639 L640 N646 A647	T635-R643 VanDerWaalsContact O-CD 3.32Å; T635-R643 WeakPolarHBondContact O-CD 3.1Å; T635-R643 VanDerWaalsContact O-CG 3.31Å; T635-R643 WeakPolarHBondContact O-CG 3.29Å; G637-R643 WeakPolarHBondContact O-CG 3.4Å; G637-R643 PolarHBondContact O-NE 3.38Å; G637-R643 PolarHBondContact O-NH2 2.98Å; T639-R643 PolarHBondContact O-N 3.15Å; L640-R643 PolarHBondContact O-N 3.21Å; R643-N646 PolarHBondContact O-N 2.78Å; R643-A647 WeakPolarHBondContact O-CB 3.39Å; R643-A647 PolarHBondContact O-N 3.39Å
644	L	89.9	Confident	88.2	Confident	73 Å²	73	88 Å²	88	38%	0.382	43%	0.429	S	S	.	.	H	α-helix	trans	-58.3	-53.1	175.3	-178	64.7	0	0	0	111.2	M177 L632 L640 N646 A647 T648	M177-L644 HydrophobicContact CE-CD1 4.2Å; M177-L644 HydrophobicContact SD-CD1 3.6Å; M177-L644 VanDerWaalsContact SD-CD1 3.6Å; L632-L644 HydrophobicContact CD2-CB 4.19Å; L632-L644 HydrophobicContact CD2-CD1 3.99Å; L640-L644 VanDerWaalsContact O-CB 3.3Å; L640-L644 WeakPolarHBondContact O-CB 3.26Å; L640-L644 PolarHBondContact O-N 3.27Å; L644-N646 PolarHBondContact O-N 3.49Å; L644-A647 PolarHBondContact O-N 2.89Å; L644-A647 VanDerWaalsContact O-N 3.14Å; L644-T648 HydrophobicContact CD1-CG2 4.43Å; L644-T648 WeakPolarHBondContact O-CG2 3.24Å; L644-T648 PolarHBondContact O-N 3.35Å; L644-T648 PolarHBondContact O-OG1 3.09Å; L644-T648 VanDerWaalsContact O-OG1 3.14Å
645	K	89.1	Confident	88.3	Confident	139 Å²	139	79.4 Å²	79.4	60%	0.604	40%	0.398	S	S	*	.	H	α-helix	trans	-60.8	-28.1	178.2	-174	175.5	-177	178	0	113.1	L641 Q642 T648 K649	L641-K645 VanDerWaalsContact O-CB 3.27Å; L641-K645 WeakPolarHBondContact O-CB 3.02Å; L641-K645 PolarHBondContact O-N 3.37Å; Q642-K645 PolarHBondContact O-N 3.45Å; K645-T648 PolarHBondContact O-OG1 2.79Å; K645-K649 WeakPolarHBondContact O-CE 3.45Å; K645-K649 VanDerWaalsContact O-CG 3.31Å; K645-K649 WeakPolarHBondContact O-CG 3.22Å
646	N	89.6	Confident	88.4	Confident	54 Å²	54	78.5 Å²	78.5	29%	0.289	39%	0.393	S	S	.	.	H	α-helix	trans	-81.6	-38.3	175.1	-74.5	-14.9	0	0	0	112.1	T635 D636 Q642 R643 L644 T648 K649	T635-N646 HydrophobicContact CG2-CB 3.55Å; D636-N646 PolarHBondContact O-ND2 3.21Å; Q642-N646 WeakPolarHBondContact O-CB 3.28Å; Q642-N646 VanDerWaalsContact O-CG 3.25Å; Q642-N646 PolarHBondContact O-N 2.58Å; Q642-N646 PolarHBondContact O-ND2 3.49Å; R643-N646 PolarHBondContact O-N 2.78Å; L644-N646 PolarHBondContact O-N 3.49Å; N646-T648 VanDerWaalsContact C-N 3.33Å; N646-T648 PolarHBondContact O-N 3.49Å; N646-K649 PolarHBondContact O-N 3.48Å; N646-K649 PolarHBondContact OD1-NZ 2.04Å
647	A	89.6	Confident	88.5	Confident	3 Å²	3	73.8 Å²	73.8	3%	0.025	37%	0.373	C	S	.	.	H	α-helix	trans	-70.6	-25.9	178.9	0	0	0	0	0	113.6	M177 L632 T635 R643 L644	M177-A647 HydrophobicContact CB-CB 4.19Å; M177-A647 WeakPolarHBondContact CB-O 3.36Å; M177-A647 PolarHBondContact N-O 2.81Å; L632-A647 HydrophobicContact CD2-CB 3.98Å; T635-A647 HydrophobicContact CG2-CB 4.39Å; R643-A647 WeakPolarHBondContact O-CB 3.39Å; R643-A647 PolarHBondContact O-N 3.39Å; L644-A647 PolarHBondContact O-N 2.89Å; L644-A647 VanDerWaalsContact O-N 3.14Å
648	T	90.9	Very high	88.6	Confident	30 Å²	30	74.9 Å²	74.9	18%	0.184	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.3	174.9	56.2	0	0	0	0	114.6	S175 M177 I550 L644 K645 N646	S175-T648 PolarHBondContact OG-O 3.11Å; M177-T648 HydrophobicContact CE-CG2 3.63Å; M177-T648 HydrophobicContact SD-CG2 4.01Å; I550-T648 HydrophobicContact CG2-CG2 3.93Å; L644-T648 HydrophobicContact CD1-CG2 4.43Å; L644-T648 WeakPolarHBondContact O-CG2 3.24Å; L644-T648 PolarHBondContact O-N 3.35Å; L644-T648 PolarHBondContact O-OG1 3.09Å; L644-T648 VanDerWaalsContact O-OG1 3.14Å; K645-T648 PolarHBondContact O-OG1 2.79Å; N646-T648 VanDerWaalsContact C-N 3.33Å; N646-T648 PolarHBondContact O-N 3.49Å
649	K	90.9	Very high	88.6	Confident	99 Å²	99	73.1 Å²	73.1	43%	0.43	37%	0.366	S	S	.	.	S	Bend	trans	-72.5	148.6	176.9	-80.5	165.6	-168.4	166.9	0	110.2	P176 K645 N646	P176-K649 WeakPolarHBondContact CD-O 3.41Å; K645-K649 WeakPolarHBondContact O-CE 3.45Å; K645-K649 VanDerWaalsContact O-CG 3.31Å; K645-K649 WeakPolarHBondContact O-CG 3.22Å; N646-K649 PolarHBondContact O-N 3.48Å; N646-K649 PolarHBondContact OD1-NZ 2.04Å
650	P	91.8	Very high	88.4	Confident	56 Å²	56	75.2 Å²	75.2	36%	0.364	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-53.3	142.1	166.5	-22.1	32	0	0	0	111.3	I174 Y551 W654	I174-P650 VanDerWaalsContact O-CA 3.26Å; I174-P650 WeakPolarHBondContact O-CA 3.36Å; I174-P650 WeakPolarHBondContact O-CG 3.42Å; Y551-P650 HydrophobicContact CD2-CG 3.72Å; Y551-P650 HydrophobicContact CE2-CB 4.45Å; Y551-P650 HydrophobicContact CE2-CG 3.54Å; P650-W654 HydrophobicContact CB-CB 3.95Å; P650-W654 HydrophobicContact CB-CG 4.02Å
651	S	88.9	Confident	88.4	Confident	44 Å²	44	69 Å²	69	31%	0.308	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-63.5	154.2	171.2	-168.8	0	0	0	0	110.6	R173 D653 W654	R173-S651 PolarHBondContact O-N 3.49Å; S651-D653 WeakPolarHBondContact CB-OD1 3.25Å; S651-D653 PolarHBondContact O-N 2.76Å; S651-D653 VanDerWaalsContact O-N 3.1Å; S651-D653 PolarHBondContact OG-OD1 3.46Å; S651-W654 VanDerWaalsContact O-CB 3.23Å; S651-W654 WeakPolarHBondContact O-CB 3.49Å; S651-W654 PolarHBondContact O-N 2.93Å
652	R	84.8	Confident	88.4	Confident	249 Å²	249	65.6 Å²	65.6	94%	0.94	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.2	-176.9	-60.7	-176.9	75.1	171.3	3.3	113.2
653	D	83.6	Confident	88.1	Confident	57 Å²	57	65.3 Å²	65.3	31%	0.305	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-0.8	177.7	66	-46.6	0	0	0	113.8	R173 S651 R662	R173-D653 WeakPolarHBondContact CD-OD2 3.2Å; R173-D653 IonicContact CZ-OD2 3.93Å; R173-D653 IonicContact NE-OD2 3.02Å; R173-D653 IonicContact NH1-OD2 3.99Å; R173-D653 PolarHBondContact NH1-OD2 2.93Å; S651-D653 WeakPolarHBondContact CB-OD1 3.25Å; S651-D653 PolarHBondContact O-N 2.76Å; S651-D653 VanDerWaalsContact O-N 3.1Å; S651-D653 PolarHBondContact OG-OD1 3.46Å; D653-R662 PolarHBondContact O-NH2 2.97Å
654	W	91.2	Very high	87.9	Confident	14 Å²	14	64.2 Å²	64.2	5%	0.053	34%	0.335	C	S	.	.			trans	-62.4	141.5	174.4	175.4	-108.7	0	0	0	112	F160 F163 A164 V171 R173 I174 Y551 P650 S651 Y666	F160-W654 HydrophobicContact CD2-CH2 4.08Å; F160-W654 AromaticContact CE2-CH2 3.7Å; F160-W654 HydrophobicContact CE2-CH2 3.7Å; F160-W654 HydrophobicContact CE2-CZ2 4.4Å; F160-W654 HydrophobicContact CE2-CZ3 4.41Å; F163-W654 HydrophobicContact CD1-CH2 4.17Å; F163-W654 AromaticContact CD1-CZ2 3.8Å; F163-W654 HydrophobicContact CD1-CZ2 3.8Å; F163-W654 HydrophobicContact CE1-CH2 4.47Å; F163-W654 AromaticContact CE1-CZ2 3.74Å; F163-W654 HydrophobicContact CE1-CZ2 3.74Å; A164-W654 HydrophobicContact CB-CH2 3.78Å; A164-W654 HydrophobicContact CB-CZ3 3.67Å; V171-W654 WeakPolarHBondContact O-CZ3 3.43Å; R173-W654 HydrophobicContact CB-CE3 3.97Å; I174-W654 HydrophobicContact CB-CD2 3.84Å; I174-W654 HydrophobicContact CB-CE3 3.96Å; I174-W654 HydrophobicContact CB-CH2 3.82Å; I174-W654 HydrophobicContact CB-CZ2 3.71Å; I174-W654 HydrophobicContact CB-CZ3 3.94Å; I174-W654 HydrophobicContact CD1-CH2 4.14Å; I174-W654 HydrophobicContact CD1-CZ2 3.56Å; I174-W654 HydrophobicContact CG1-CD2 4.2Å; I174-W654 HydrophobicContact CG1-CH2 4.22Å; I174-W654 HydrophobicContact CG1-CZ2 3.62Å; I174-W654 VanDerWaalsContact N-CE3 3.3Å; Y551-W654 AromaticContact CE2-NE1 3.82Å; Y551-W654 AromaticContact CZ-NE1 3.89Å; P650-W654 HydrophobicContact CB-CB 3.95Å; P650-W654 HydrophobicContact CB-CG 4.02Å; S651-W654 VanDerWaalsContact O-CB 3.23Å; S651-W654 WeakPolarHBondContact O-CB 3.49Å; S651-W654 PolarHBondContact O-N 2.93Å; W654-Y666 AromaticContact CD1-CE1 3.88Å; W654-Y666 WeakPolarHBondContact O-CD1 3.25Å
655	G	90.5	Very high	87.6	Confident	4 Å²	4	66.2 Å²	66.2	4%	0.041	34%	0.337	C	S	.	.	S	Bend	trans	134.1	-170.5	-178.7	0	0	0	0	0	111.3
656	P	90.6	Very high	87.5	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.			trans	-55.5	143	177	-26.4	36.4	0	0	0	112.6	F163 F388 M562 H661 R662	F163-P656 HydrophobicContact CE2-CG 3.93Å; F163-P656 HydrophobicContact CZ-CG 3.99Å; F388-P656 HydrophobicContact CD2-CB 4.39Å; F388-P656 HydrophobicContact CE2-CB 3.76Å; F388-P656 HydrophobicContact CE2-CG 3.71Å; F388-P656 HydrophobicContact CZ-CB 4.15Å; F388-P656 HydrophobicContact CZ-CG 3.73Å; M562-P656 HydrophobicContact SD-CG 4.25Å; P656-H661 HydrophobicContact CB-CB 3.65Å; P656-H661 HydrophobicContact CG-CB 4.24Å; P656-R662 HydrophobicContact CB-CG 4.35Å; P656-R662 PolarHBondContact O-NE 2.91Å; P656-R662 PolarHBondContact O-NH2 3.23Å
657	A	85.8	Confident	87.1	Confident	40 Å²	40	60.7 Å²	60.7	33%	0.331	32%	0.319	S	S	.	.	S	Bend	trans	-69.8	-35.6	-178.3	0	0	0	0	0	113.5
658	L	85	Confident	86.3	Confident	35 Å²	35	63.7 Å²	63.7	18%	0.183	34%	0.338	C	S	.	.	S	Bend	trans	-90.7	135.8	-179.1	-60.3	177.1	0	0	0	110.7	Q96 N97 E660 H661 R662	Q96-L658 HydrophobicContact CB-CD1 3.9Å; N97-L658 HydrophobicContact CB-CD1 4.39Å; N97-L658 HydrophobicContact CB-CD2 4.1Å; L658-E660 VanDerWaalsContact C-N 3.25Å; L658-E660 HydrophobicContact CB-CG 3.82Å; L658-E660 PolarHBondContact O-N 3.37Å; L658-H661 PolarHBondContact O-N 2.85Å; L658-R662 PolarHBondContact O-N 3.43Å
659	L	84.1	Confident	85	Confident	114 Å²	114	69.1 Å²	69.1	60%	0.597	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-58.7	-36.1	179.1	-73.6	166.2	0	0	0	112.2	H661 R662 P668	L659-H661 PolarHBondContact O-N 3.37Å; L659-H661 VanDerWaalsContact O-N 3.17Å; L659-R662 WeakPolarHBondContact O-CB 3.45Å; L659-R662 PolarHBondContact O-N 3.33Å; L659-P668 HydrophobicContact CD2-CG 4.02Å
660	E	84.8	Confident	83.5	Confident	122 Å²	122	70.9 Å²	70.9	57%	0.57	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-59.2	-23.9	175.8	51.6	168.1	-158.4	0	0	114.2	L658	L658-E660 VanDerWaalsContact C-N 3.25Å; L658-E660 HydrophobicContact CB-CG 3.82Å; L658-E660 PolarHBondContact O-N 3.37Å
661	H	87.1	Confident	81.2	Confident	19 Å²	19	75.4 Å²	75.4	9%	0.088	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-97.7	-10.1	178.4	-56.9	-23.2	0	0	0	112.7	F388 P656 L658 L659 T663	F388-H661 WeakPolarHBondContact CB-CD2 3.36Å; F388-H661 VanDerWaalsContact CB-NE2 3.28Å; F388-H661 WeakPolarHBondContact CB-NE2 3.36Å; F388-H661 HydrophobicContact CD1-CB 3.96Å; F388-H661 AromaticContact CD1-CD2 3.71Å; F388-H661 AromaticContact CD1-CG 3.66Å; F388-H661 HydrophobicContact CD2-CB 4.44Å; F388-H661 AromaticContact CD2-CD2 3.92Å; F388-H661 HydrophobicContact CE1-CB 3.97Å; F388-H661 HydrophobicContact CE2-CB 4.43Å; F388-H661 HydrophobicContact CG-CB 4.21Å; F388-H661 AromaticContact CG-CD2 3.35Å; F388-H661 WeakPolarHBondContact CG-CD2 3.24Å; F388-H661 AromaticContact CG-CG 3.78Å; F388-H661 AromaticContact CG-NE2 3.9Å; F388-H661 HydrophobicContact CZ-CB 4.21Å; P656-H661 HydrophobicContact CB-CB 3.65Å; P656-H661 HydrophobicContact CG-CB 4.24Å; L658-H661 PolarHBondContact O-N 2.85Å; L659-H661 PolarHBondContact O-N 3.37Å; L659-H661 VanDerWaalsContact O-N 3.17Å; H661-T663 VanDerWaalsContact C-N 3.31Å; H661-T663 PolarHBondContact O-N 3.03Å
662	R	88.1	Confident	78.9	Confident	58 Å²	58	77.3 Å²	77.3	22%	0.219	42%	0.415	C	S	.	.			trans	-76.9	80.2	177.3	-74.9	-168.8	-179.4	-139	-12.8	110.8	D653 P656 L658 L659 Y666 A667	D653-R662 PolarHBondContact O-NH2 2.97Å; P656-R662 HydrophobicContact CB-CG 4.35Å; P656-R662 PolarHBondContact O-NE 2.91Å; P656-R662 PolarHBondContact O-NH2 3.23Å; L658-R662 PolarHBondContact O-N 3.43Å; L659-R662 WeakPolarHBondContact O-CB 3.45Å; L659-R662 PolarHBondContact O-N 3.33Å; R662-Y666 WeakPolarHBondContact CB-O 3.03Å; R662-A667 WeakPolarHBondContact O-CA 3.36Å
663	T	84.8	Confident	76.6	Confident	73 Å²	73	68.9 Å²	68.9	45%	0.448	39%	0.394	S	S	.	.			trans	-111.2	162.5	-179.8	59.6	0	0	0	0	111.9	M562 H661 R665 Y666	M562-T663 WeakPolarHBondContact CE-O 3.31Å; M562-T663 WeakPolarHBondContact CE-OG1 3.48Å; H661-T663 VanDerWaalsContact C-N 3.31Å; H661-T663 PolarHBondContact O-N 3.03Å; T663-R665 PolarHBondContact O-N 3.49Å; T663-R665 VanDerWaalsContact O-N 3.11Å; T663-Y666 PolarHBondContact O-N 2.94Å; T663-Y666 VanDerWaalsContact O-N 3.08Å
664	G	84.6	Confident	74.7	Confident	65 Å²	65	72.1 Å²	72.1	67%	0.67	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	54.6	-116	176.9	0	0	0	0	0	112.8	Y666 A667	G664-Y666 PolarHBondContact O-N 3.39Å; G664-A667 VanDerWaalsContact O-CB 3.32Å; G664-A667 WeakPolarHBondContact O-CB 3.49Å; G664-A667 PolarHBondContact O-N 3.16Å; G664-A667 VanDerWaalsContact O-N 3.16Å
665	R	84.3	Confident	72.2	Confident	116 Å²	116	78.6 Å²	78.6	44%	0.438	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.8	-178.1	-54.3	-173.4	-56.2	164.7	4.2	114.6	N555 D559 T663	N555-R665 PolarHBondContact O-NH2 3.07Å; N555-R665 PolarHBondContact OD1-NH1 2.86Å; D559-R665 IonicContact OD1-NH2 2.97Å; D559-R665 PolarHBondContact OD1-NH2 3.33Å; T663-R665 PolarHBondContact O-N 3.49Å; T663-R665 VanDerWaalsContact O-N 3.11Å
666	Y	86.4	Confident	69.8	Low	29 Å²	29	84.9 Å²	84.9	11%	0.114	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-104	-0.2	179.4	-60.9	-70.3	0	0	0	113.4	F163 Y551 D559 M562 W654 R662 T663 G664	F163-Y666 HydrophobicContact CE2-CE2 4.47Å; F163-Y666 HydrophobicContact CZ-CD2 4.36Å; F163-Y666 AromaticContact CZ-CE2 3.66Å; F163-Y666 HydrophobicContact CZ-CE2 3.66Å; F163-Y666 AromaticContact CZ-CZ 3.84Å; Y551-Y666 PolarHBondContact OH-OH 2.93Å; D559-Y666 VanDerWaalsContact CG-OH 3.26Å; D559-Y666 VanDerWaalsContact OD1-CE2 3.25Å; D559-Y666 WeakPolarHBondContact OD1-CE2 3.35Å; D559-Y666 PolarHBondContact OD1-OH 3.15Å; D559-Y666 PolarHBondContact OD2-OH 3.16Å; M562-Y666 HydrophobicContact CE-CD2 4Å; M562-Y666 HydrophobicContact CE-CE2 4.45Å; M562-Y666 HydrophobicContact SD-CD2 4.09Å; M562-Y666 HydrophobicContact SD-CE2 4.46Å; W654-Y666 AromaticContact CD1-CE1 3.88Å; W654-Y666 WeakPolarHBondContact O-CD1 3.25Å; R662-Y666 WeakPolarHBondContact CB-O 3.03Å; T663-Y666 PolarHBondContact O-N 2.94Å; T663-Y666 VanDerWaalsContact O-N 3.08Å; G664-Y666 PolarHBondContact O-N 3.39Å
667	A	80.5	Confident	67.6	Low	48 Å²	48	87.9 Å²	87.9	40%	0.397	52%	0.518	S	S	.	.	S	Bend	trans	-57.9	137.7	-177.6	0	0	0	0	0	111.6	R662 G664 T669	R662-A667 WeakPolarHBondContact O-CA 3.36Å; G664-A667 VanDerWaalsContact O-CB 3.32Å; G664-A667 WeakPolarHBondContact O-CB 3.49Å; G664-A667 PolarHBondContact O-N 3.16Å; G664-A667 VanDerWaalsContact O-N 3.16Å; A667-T669 PolarHBondContact O-N 3.39Å
668	P	73.2	Confident	65	Low	66 Å²	66	94.7 Å²	94.7	43%	0.429	54%	0.54	S	S	.	.			trans	-57.7	125.7	174.8	-23.2	33.7	0	0	0	111	L659 I670	L659-P668 HydrophobicContact CD2-CG 4.02Å; P668-I670 WeakPolarHBondContact CB-O 3.18Å; P668-I670 PolarHBondContact O-N 3.18Å
669	T	64.6	Low	62.2	Low	144 Å²	144	102.3 Å²	102.3	88%	0.883	58%	0.575	S	S	*	*	S	Bend	trans	-72.5	-6.1	175.2	48.3	0	0	0	0	113.4	A667	A667-T669 PolarHBondContact O-N 3.39Å
670	I	58	Low	59.7	Low	136 Å²	136	102.4 Å²	102.4	70%	0.697	58%	0.58	S	S	*	*	S	Bend	trans	-133.2	124.4	174.2	-57.7	176.2	0	0	0	105.8	P668	P668-I670 WeakPolarHBondContact CB-O 3.18Å; P668-I670 PolarHBondContact O-N 3.18Å
671	I	45.4	Very low	56.8	Low	151 Å²	151	104.1 Å²	104.1	77%	0.774	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-70.7	128	170.5	-57.6	171.4	0	0	0	106.7	S673	I671-S673 PolarHBondContact O-N 3.08Å
672	P	39.3	Very low	54	Low	84 Å²	84	108.8 Å²	108.8	55%	0.545	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-57.7	130.4	174.7	-21.7	32.7	0	0	0	110.5
673	S	36.8	Very low	51.2	Low	71 Å²	71	113 Å²	113	50%	0.497	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-62.9	147.8	167.3	35.3	0	0	0	0	110	I671 D675 D676	I671-S673 PolarHBondContact O-N 3.08Å; S673-D675 PolarHBondContact O-N 2.9Å; S673-D676 PolarHBondContact O-N 3.23Å
674	P	43.9	Very low	48.3	Very low	125 Å²	125	116.6 Å²	116.6	81%	0.812	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-19.1	-173.4	-25.2	35.4	0	0	0	115.5
675	D	39.1	Very low	45.8	Very low	150 Å²	150	119.3 Å²	119.3	80%	0.802	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-13.2	-171.5	-57.2	-49.8	0	0	0	114.4	S673 G677	S673-D675 PolarHBondContact O-N 2.9Å; D675-G677 PolarHBondContact O-N 3.22Å
676	D	39.4	Very low	43.2	Very low	136 Å²	136	119.5 Å²	119.5	73%	0.727	67%	0.673	S	S	*	*	S	Bend	trans	-83.2	59.7	173.9	-85	-32.9	0	0	0	112.4	S673	S673-D676 PolarHBondContact O-N 3.23Å
677	G	43.8	Very low	40.6	Very low	63 Å²	63	128.2 Å²	128.2	65%	0.649	71%	0.711	S	S	*	*	S	Bend	trans	62.9	60.6	147	0	0	0	0	0	118.7	D675	D675-G677 PolarHBondContact O-N 3.22Å
678	F	30.9	Very low	38.1	Very low	184 Å²	184	130.5 Å²	130.5	81%	0.807	73%	0.73	S	S	*	*			trans	-141.1	96.5	155.9	-95.8	-81.9	0	0	0	111.9	V680	F678-V680 VanDerWaalsContact C-N 3.28Å; F678-V680 HydrophobicContact CB-CG2 4.46Å; F678-V680 HydrophobicContact CD1-CG2 4.42Å; F678-V680 PolarHBondContact O-N 3.05Å
679	E	27.8	Very low	35.8	Very low	195 Å²	195	136.9 Å²	136.9	91%	0.911	75%	0.754	S	S	*	*			trans	-67.8	88.4	159.8	-82.4	-167.1	126.3	0	0	109.7
680	V	30.9	Very low	34.1	Very low	115 Å²	115	137.4 Å²	137.4	70%	0.697	75%	0.75	S	S	*	*			trans	-94.3	88.8	159.6	-177.9	0	0	0	0	107.5	F678 P682	F678-V680 VanDerWaalsContact C-N 3.28Å; F678-V680 HydrophobicContact CB-CG2 4.46Å; F678-V680 HydrophobicContact CD1-CG2 4.42Å; F678-V680 PolarHBondContact O-N 3.05Å; V680-P682 VanDerWaalsContact O-CD 3.27Å; V680-P682 WeakPolarHBondContact O-CD 3.42Å
681	Q	24.6	Very low	32.7	Very low	159 Å²	159	136.7 Å²	136.7	74%	0.743	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-68	117.6	175.4	-161.3	164.7	37.8	0	0	109.6	L683	Q681-L683 PolarHBondContact O-N 2.93Å
682	P	28.6	Very low	31.8	Very low	116 Å²	116	137.3 Å²	137.3	75%	0.753	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-79.1	116.3	-179.6	-6.6	24	0	0	0	109.8	V680	V680-P682 VanDerWaalsContact O-CD 3.27Å; V680-P682 WeakPolarHBondContact O-CD 3.42Å
683	L	27.7	Very low	31.3	Very low	147 Å²	147	140 Å²	140	77%	0.77	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-84.1	129.9	169.1	-105.4	84.1	0	0	0	111.1	Q681	Q681-L683 PolarHBondContact O-N 2.93Å
684	H	25.4	Very low	30.8	Very low	148 Å²	148	140 Å²	140	69%	0.685	78%	0.783	S	S	*	*			trans	66.5	96.9	174.5	-74	-65.1	0	0	0	119.4	D686	H684-D686 IonicContact CE1-OD2 2.84Å; H684-D686 IonicContact ND1-OD2 3.37Å; H684-D686 PolarHBondContact ND1-OD2 3.03Å
685	P	30.9	Very low	30	Very low	122 Å²	122	140 Å²	140	79%	0.792	79%	0.787	S	S	*	*			trans	-98.4	47.9	151.7	38.5	-31.1	0	0	0	112.3
686	D	29.2	Very low	29.4	Very low	121 Å²	121	140.9 Å²	140.9	65%	0.647	79%	0.791	S	S	*	*			trans	-103.4	77.6	179.9	-72.8	-57	0	0	0	113	H684	H684-D686 IonicContact CE1-OD2 2.84Å; H684-D686 IonicContact ND1-OD2 3.37Å; H684-D686 PolarHBondContact ND1-OD2 3.03Å
687	K	32.4	Very low	28.9	Very low	211 Å²	211	138.2 Å²	138.2	92%	0.917	80%	0.796	S	S	*	*	S	Bend	trans	171.6	74.5	146.1	-96.6	164.6	-176.2	178.8	0	112.3
688	A	28.6	Very low	28	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	80%	0.804	S	S	*	*			trans	-157.8	64.8	160.5	0	0	0	0	0	111.1	I690	A688-I690 PolarHBondContact O-N 3.04Å
689	Q	25.2	Very low	28	Very low	201 Å²	201	138.1 Å²	138.1	94%	0.939	81%	0.808	S	S	*	*			trans	-75.7	108.8	168.2	-81.5	-178.7	-25.3	0	0	110
690	I	27.9	Very low	27.9	Very low	154 Å²	154	139.5 Å²	139.5	79%	0.79	81%	0.805	S	S	*	*			trans	-132.2	118.7	155.9	-57.2	-179.7	0	0	0	106.4	A688	A688-I690 PolarHBondContact O-N 3.04Å
691	P	28.3	Very low	27.8	Very low	121 Å²	121	140.7 Å²	140.7	79%	0.786	81%	0.806	S	S	*	*			trans	-88.2	131.7	-171.7	33	-32.8	0	0	0	111.9
692	I	27.6	Very low	27.9	Very low	165 Å²	165	141.2 Å²	141.2	85%	0.846	81%	0.809	S	S	*	*			trans	-129.7	137.6	160.3	-60.2	-176	0	0	0	109.7
693	V	28.3	Very low	27.8	Very low	140 Å²	140	142.8 Å²	142.8	85%	0.848	81%	0.811	S	S	*	*			trans	-75.2	127.8	-165.1	172.7	0	0	0	0	113.5
694	G	25.4	Very low	27.9	Very low	71 Å²	71	141.6 Å²	141.6	73%	0.732	82%	0.815	S	S	*	*				60	123.4	127.3	0	0	0	0	0	122
695	S	28	Very low	28.1	Very low	126 Å²	126	146.1 Å²	146.1	88%	0.881	83%	0.826	S	S	*	*				-158.6	150.4	126.3	-167.2	0	0	0	0	111.2
696	N	27	Very low	28.2	Very low	168 Å²	168	151.8 Å²	151.8	90%	0.898	85%	0.847	S	S	*	*			trans	-80.6	147.8	-178.8	-75.6	-37.5	0	0	0	112.4
697	G	27.8	Very low	28.2	Very low	80 Å²	80	153.3 Å²	153.3	83%	0.825	86%	0.857	S	S	*	*			trans	-167.4	80.6	173.4	0	0	0	0	0	113
698	S	26.2	Very low	28	Very low	118 Å²	118	150.3 Å²	150.3	83%	0.825	85%	0.854	S	S	*	*			trans	-84.4	132.2	177.8	57.7	0	0	0	0	112.8
699	S	29.4	Very low	27.9	Very low	127 Å²	127	153.3 Å²	153.3	89%	0.888	86%	0.857	S	S	*	*			trans	-162.7	156.5	143.1	35.2	0	0	0	0	111.2
700	R	27.1	Very low	28.1	Very low	223 Å²	223	150.5 Å²	150.5	84%	0.842	85%	0.853	S	S	*	*			trans	-110.9	165.2	-167.9	-70.2	171.2	156.6	176.4	-7	111.5
701	L	27.5	Very low	28.1	Very low	140 Å²	140	150.3 Å²	150.3	73%	0.733	86%	0.857	S	S	*	*			trans	70.5	152	155.9	-65.2	143.7	0	0	0	114.1
702	Q	28	Very low	28.1	Very low	170 Å²	170	152.2 Å²	152.2	79%	0.794	86%	0.861	S	S	*	*			cis	-152.8	151.9	14.7	-150.6	154	5.1	0	0	111.6
703	D	26.8	Very low	28.1	Very low	149 Å²	149	151.3 Å²	151.3	80%	0.797	86%	0.862	S	S	*	*			trans	-60.5	146.6	168.3	-60.9	-80.6	0	0	0	112.7
704	S	29.6	Very low	28.1	Very low	123 Å²	123	152.2 Å²	152.2	86%	0.86	86%	0.863	S	S	*	*			trans	-157.9	121	148.1	-80.7	0	0	0	0	111.2
705	R	28.5	Very low	28.3	Very low	242 Å²	242	158.9 Å²	158.9	91%	0.913	87%	0.874	S	S	*	*			trans	-75	138.4	172.5	-56.5	166.9	178.9	167.3	-2.6	110.4
706	I	34.2	Very low	28.4	Very low	241 Å²	241	161.9 Å²	161.9	100%	1.236	87%	0.874	S	S	*	*				-138	0	128.1	-73	-171.3	0	0	0	106.3

Retrieved 706 of 706 residues in 687.8 ms (Link to these results)

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