A0A087XXC8_POEFO Loading...

ATP-binding cassette, sub-family G (WHITE), member 1

AlphaFold DB , UniProt , Accession A0A087XXC8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 677 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.2	Very low	28.8	Very low	222 Å²	222	137.1 Å²	137.1	100%	1.094	78%	0.775	S	S	*	*				0	-25.1	0	-132.3	164.3	177.2	0	0	113.9
2	A	23.8	Very low	28.4	Very low	87 Å²	87	137.5 Å²	137.5	72%	0.719	77%	0.774	S	S	*	*			trans	-78.2	-23	177.1	0	0	0	0	0	115.8
3	C	24.2	Very low	28.3	Very low	119 Å²	119	136.2 Å²	136.2	80%	0.804	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-15.1	177.9	-77.2	0	0	0	0	114.8
4	L	30.4	Very low	28.1	Very low	138 Å²	138	134.1 Å²	134.1	72%	0.723	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-20.8	177	-101.4	141.1	0	0	0	112.9
5	M	30.6	Very low	27.9	Very low	153 Å²	153	134.2 Å²	134.2	75%	0.754	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-23.2	176.2	-71.2	-71.7	-127.2	0	0	112.9	A7 W8	M5-A7 VanDerWaalsContact C-N 3.32Å; M5-A7 PolarHBondContact O-N 3.01Å; M5-W8 PolarHBondContact O-N 2.83Å
6	A	27.7	Very low	27.8	Very low	73 Å²	73	133.6 Å²	133.6	60%	0.603	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-73.5	-22.7	179	0	0	0	0	0	113.3	W8	A6-W8 VanDerWaalsContact C-N 3.33Å
7	A	28.9	Very low	27.6	Very low	80 Å²	80	134.8 Å²	134.8	66%	0.661	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-80.8	-10	178.6	0	0	0	0	0	113.9	M5	M5-A7 VanDerWaalsContact C-N 3.32Å; M5-A7 PolarHBondContact O-N 3.01Å
8	W	27.8	Very low	27.4	Very low	233 Å²	233	132.8 Å²	132.8	88%	0.883	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-97.8	-0.9	-179	-89.5	53.4	0	0	0	114.2	M5 A6	M5-W8 PolarHBondContact O-N 2.83Å; A6-W8 VanDerWaalsContact C-N 3.33Å
9	S	27	Very low	27.2	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	77%	0.77	S	S	*	*	S	Bend	trans	-92.5	-5.6	-178.4	-158.9	0	0	0	0	114.4
10	V	29.7	Very low	27.1	Very low	120 Å²	120	134.6 Å²	134.6	73%	0.727	77%	0.768	S	S	*	*	S	Bend	trans	-121.3	59.5	-176.4	-167.8	0	0	0	0	111
11	H	27.4	Very low	26.9	Very low	176 Å²	176	136.6 Å²	136.6	82%	0.815	77%	0.773	S	S	*	*			trans	-175.5	91.9	153.6	-108.2	38.4	0	0	0	109.9
12	N	23.9	Very low	26.2	Very low	142 Å²	142	133.3 Å²	133.3	76%	0.759	76%	0.76	S	S	*	*			trans	-135.2	97.9	170	-142.5	10.2	0	0	0	108.4
13	P	27.8	Very low	26.4	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	76%	0.757	S	S	*	*			trans	-98.6	85.7	168.3	34.2	-22.9	0	0	0	108.2
14	T	24.6	Very low	26.5	Very low	108 Å²	108	136.5 Å²	136.5	66%	0.663	76%	0.761	S	S	*	*			trans	-127.4	83.1	162.5	53.6	0	0	0	0	107.9
15	V	25.6	Very low	26.2	Very low	135 Å²	135	133.5 Å²	133.5	82%	0.818	76%	0.764	S	S	*	*			trans	-116.1	92.4	160.6	-179.5	0	0	0	0	106.7
16	T	25.9	Very low	26.1	Very low	124 Å²	124	132.3 Å²	132.3	76%	0.761	77%	0.768	S	S	*	*			trans	-72.1	121.8	158.7	36.9	0	0	0	0	108.3	S18	T16-S18 PolarHBondContact O-N 2.89Å
17	N	24.4	Very low	26.5	Very low	155 Å²	155	133.9 Å²	133.9	83%	0.829	77%	0.771	S	S	*	*			trans	-57.7	117.6	164.4	-80.4	-27.4	0	0	0	109.8
18	S	24.3	Very low	26.3	Very low	98 Å²	98	137 Å²	137	69%	0.685	78%	0.777	S	S	*	*			trans	-130.7	99	155.6	59	0	0	0	0	108	T16 I20	T16-S18 PolarHBondContact O-N 2.89Å; S18-I20 PolarHBondContact O-N 2.86Å
19	I	23.4	Very low	26.2	Very low	157 Å²	157	134.3 Å²	134.3	81%	0.805	78%	0.779	S	S	*	*			trans	-69.3	111.5	164.6	-65.9	167.3	0	0	0	106.1
20	I	24.8	Very low	26.1	Very low	144 Å²	144	137.1 Å²	137.1	74%	0.738	78%	0.782	S	S	*	*			trans	-119.7	112.1	162.8	-64.9	179.5	0	0	0	106.1	S18 N22	S18-I20 PolarHBondContact O-N 2.86Å; I20-N22 PolarHBondContact O-N 3Å
21	M	24.4	Very low	26	Very low	177 Å²	177	139 Å²	139	87%	0.872	79%	0.787	S	S	*	*			trans	-57.6	128.3	164.6	-75.5	-176.2	170.5	0	0	108.8
22	N	24.3	Very low	25.9	Very low	154 Å²	154	137.5 Å²	137.5	82%	0.824	79%	0.786	S	S	*	*			trans	-144.6	124.5	150.1	-146.3	7.2	0	0	0	111.1	I20	I20-N22 PolarHBondContact O-N 3Å
23	T	26.3	Very low	26.2	Very low	106 Å²	106	135.8 Å²	135.8	65%	0.65	78%	0.782	S	S	*	*			trans	-84.2	139.2	177.8	44.8	0	0	0	0	110.6
24	N	26.6	Very low	26	Very low	166 Å²	166	141.4 Å²	141.4	89%	0.888	79%	0.788	S	S	*	*			trans	139.2	120.6	141.5	-70.9	-21.8	0	0	0	114.2
25	G	25.2	Very low	26.1	Very low	75 Å²	75	142.9 Å²	142.9	77%	0.773	80%	0.797	S	S	*	*			trans	134.3	130.1	150.3	0	0	0	0	0	116.3
26	P	28.2	Very low	26	Very low	129 Å²	129	142.9 Å²	142.9	84%	0.838	80%	0.797	S	S	*	*			trans	-116.7	-153.9	-159.2	39.6	-19	0	0	0	113.2
27	P	35.3	Very low	25.8	Very low	105 Å²	105	143.1 Å²	143.1	68%	0.682	80%	0.802	S	S	*	*				-114.2	-175.2	-99	36.4	-16.9	0	0	0	114
28	D	25.6	Very low	25.8	Very low	146 Å²	146	141.3 Å²	141.3	78%	0.781	80%	0.797	S	S	*	*			trans	81.3	107.4	164.5	-58.1	-23.8	0	0	0	119.5
29	L	25.3	Very low	25.7	Very low	177 Å²	177	142.9 Å²	142.9	93%	0.927	81%	0.806	S	S	*	*				-163.1	117.5	114.5	-125.6	91.2	0	0	0	110.8
30	M	25.5	Very low	25.7	Very low	165 Å²	165	143.2 Å²	143.2	81%	0.813	81%	0.808	S	S	*	*			trans	-71.1	145.1	166.2	-67.2	174.1	81	0	0	110.8
31	L	27.1	Very low	25.6	Very low	159 Å²	159	145.8 Å²	145.8	83%	0.832	82%	0.817	S	S	*	*				176.2	105.1	119.5	-93.3	153.6	0	0	0	112.8
32	D	26	Very low	25.6	Very low	146 Å²	146	147 Å²	147	78%	0.781	82%	0.821	S	S	*	*			trans	72	148.3	134.3	-90.7	10.9	0	0	0	125.9
33	P	29.9	Very low	25.6	Very low	106 Å²	106	143.5 Å²	143.5	69%	0.688	82%	0.821	S	S	*	*			trans	-121.8	155.3	-145.6	40.2	-25.3	0	0	0	113.6
34	R	23.6	Very low	25.5	Very low	238 Å²	238	146.4 Å²	146.4	90%	0.898	83%	0.829	S	S	*	*			trans	-142.9	134.9	153.1	-75.5	-165.1	171.8	171.7	-2.4	112
35	T	25.7	Very low	25.5	Very low	138 Å²	138	144.4 Å²	144.4	85%	0.847	82%	0.819	S	S	*	*			trans	75.2	92.2	160.7	34.9	0	0	0	0	119.2
36	V	24.1	Very low	25.5	Very low	136 Å²	136	149.3 Å²	149.3	82%	0.824	82%	0.819	S	S	*	*			trans	-116.9	127.3	146.5	176.7	0	0	0	0	107.2	V38	V36-V38 HydrophobicContact CG1-CG2 4.17Å
37	C	22.3	Very low	25.3	Very low	129 Å²	129	151.5 Å²	151.5	87%	0.872	82%	0.817	S	S	*	*			trans	-103.1	119.6	172.9	-112.8	0	0	0	0	108.6
38	V	23.7	Very low	25.7	Very low	117 Å²	117	152.2 Å²	152.2	71%	0.709	82%	0.822	S	S	*	*			trans	-121.2	124.4	166.6	176.2	0	0	0	0	106.3	V36	V36-V38 HydrophobicContact CG1-CG2 4.17Å
39	C	21.9	Very low	25.5	Very low	130 Å²	130	149.3 Å²	149.3	88%	0.878	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-91.3	119.9	169.9	-73.3	0	0	0	0	109
40	L	24	Very low	25.4	Very low	165 Å²	165	144.5 Å²	144.5	86%	0.864	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-102.4	129	162.9	-79.6	162.2	0	0	0	107.5
41	E	23.6	Very low	25.4	Very low	197 Å²	197	143.2 Å²	143.2	92%	0.921	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-90.8	121.7	167.6	-82.3	-176	152.2	0	0	109.5
42	E	24.1	Very low	25.3	Very low	202 Å²	202	144.9 Å²	144.9	94%	0.944	83%	0.825	S	S	*	*			trans	-117.9	138.1	156.1	-86.4	-171.2	160.2	0	0	108.5
43	G	24.1	Very low	25.3	Very low	81 Å²	81	146.5 Å²	146.5	84%	0.835	83%	0.828	S	S	*	*			trans	-163.9	95.4	172.3	0	0	0	0	0	112.2
44	M	23.9	Very low	25	Very low	167 Å²	167	148.4 Å²	148.4	82%	0.823	84%	0.838	S	S	*	*			trans	-97.3	146.1	170.7	-90.4	175.7	67.3	0	0	112.4
45	N	25.6	Very low	25.2	Very low	125 Å²	125	142.5 Å²	142.5	67%	0.668	83%	0.83	S	S	*	*			trans	82.9	106.1	143.1	-74.7	-13.4	0	0	0	123.8
46	K	26.8	Very low	25.1	Very low	177 Å²	177	144 Å²	144	77%	0.77	83%	0.832	S	S	*	*				45.7	116.1	119	-70.3	-174.8	177.3	179.2	0	123.3
47	H	23.6	Very low	25.3	Very low	175 Å²	175	145.6 Å²	145.6	81%	0.81	84%	0.835	S	S	*	*			trans	66.8	163.8	131.3	-77.6	-42.8	0	0	0	122.1
48	P	43.1	Very low	25.4	Very low	121 Å²	121	148.9 Å²	148.9	79%	0.786	84%	0.838	S	S	*	*			cis	-138.1	170	-49.6	38.4	-21	0	0	0	113.8
49	G	22.5	Very low	25.5	Very low	85 Å²	85	152.5 Å²	152.5	88%	0.876	84%	0.844	S	S	*	*			trans	126	143.4	150.4	0	0	0	0	0	117.7
50	G	23.5	Very low	25.8	Very low	76 Å²	76	155.3 Å²	155.3	78%	0.784	84%	0.844	S	S	*	*			trans	116.3	85.9	150.6	0	0	0	0	0	118.3
51	T	24	Very low	25.9	Very low	137 Å²	137	156.8 Å²	156.8	84%	0.84	85%	0.846	S	S	*	*			trans	-19.8	136.9	151.1	-4.6	0	0	0	0	117.8
52	Q	26.3	Very low	25.9	Very low	194 Å²	194	157 Å²	157	91%	0.907	84%	0.844	S	S	*	*				-171.8	136.5	118.1	-104.5	174.1	12.8	0	0	113.2
53	Q	25.3	Very low	26.1	Very low	181 Å²	181	157 Å²	157	85%	0.846	84%	0.841	S	S	*	*			trans	-74.7	148.9	176.4	-71.3	164.3	-31.8	0	0	111.7
54	T	23.8	Very low	26.1	Very low	145 Å²	145	161.3 Å²	161.3	89%	0.89	84%	0.844	S	S	*	*			trans	-150.1	129.7	131	14.3	0	0	0	0	109.4
55	P	27.3	Very low	26.2	Very low	114 Å²	114	161.6 Å²	161.6	74%	0.74	85%	0.849	S	S	*	*			trans	-96.3	147	-174.1	36.4	-30.2	0	0	0	110.4
56	L	23.8	Very low	26.3	Very low	169 Å²	169	158.1 Å²	158.1	89%	0.885	84%	0.843	S	S	*	*			trans	-171.7	141	147.4	-100.1	167.9	0	0	0	108.7
57	L	27.7	Very low	26.3	Very low	171 Å²	171	156 Å²	156	90%	0.895	85%	0.847	S	S	*	*			trans	87.8	46.8	177.9	-54.6	167	0	0	0	117.5
58	Q	25	Very low	26.4	Very low	198 Å²	198	155.7 Å²	155.7	93%	0.925	85%	0.851	S	S	*	*			trans	-88	100.7	140.5	-98.3	-175.2	-2.8	0	0	109
59	K	26.7	Very low	25.7	Very low	193 Å²	193	159.1 Å²	159.1	84%	0.839	85%	0.853	S	S	*	*			trans	-176.7	86.3	150.1	-105.6	175.7	-174.5	-179.6	0	106.8
60	H	27.1	Very low	25.9	Very low	189 Å²	189	163.9 Å²	163.9	88%	0.875	85%	0.85	S	S	*	*	S	Bend	trans	171.5	60.5	149.7	-98	78.6	0	0	0	110.8
61	Q	25.6	Very low	26.3	Very low	196 Å²	196	165.4 Å²	165.4	92%	0.916	84%	0.844	S	S	*	*			trans	-167.9	88.2	157.6	-117.2	148.9	-13.6	0	0	111.2
62	K	25.1	Very low	26.5	Very low	202 Å²	202	164.1 Å²	164.1	88%	0.878	83%	0.832	S	S	*	*			trans	-150	79.3	162.5	-112.3	-173.9	-179	-177.7	0	108.7
63	K	26.6	Very low	27.1	Very low	201 Å²	201	162 Å²	162	87%	0.874	83%	0.826	S	S	*	*			trans	-177.2	80.9	157.8	-115.1	-178.1	177.5	-179.3	0	109.3
64	L	25.8	Very low	27.5	Very low	171 Å²	171	159 Å²	159	90%	0.895	82%	0.821	S	S	*	*			trans	-174.3	64.9	148.4	-128	81.9	0	0	0	110.3
65	D	25.5	Very low	28.5	Very low	173 Å²	173	156.1 Å²	156.1	93%	0.925	80%	0.799	S	S	*	*			trans	-101.1	91.4	167.2	-72.1	-37.2	0	0	0	108.8
66	G	26.5	Very low	29.6	Very low	53 Å²	53	154.7 Å²	154.7	55%	0.546	79%	0.789	S	S	.	*			trans	-114.6	148.1	152.4	0	0	0	0	0	107.3	L68	G66-L68 PolarHBondContact O-N 2.96Å
67	P	27.5	Very low	30.9	Very low	133 Å²	133	150.9 Å²	150.9	86%	0.864	77%	0.767	S	S	*	*			trans	-73.9	93.6	-170.8	30.6	-32.6	0	0	0	109.8	K69	P67-K69 VanDerWaalsContact C-N 3.31Å; P67-K69 PolarHBondContact O-N 2.85Å
68	L	26.5	Very low	31.7	Very low	168 Å²	168	145.1 Å²	145.1	88%	0.88	74%	0.743	S	S	*	*			trans	-65.4	97.9	156.5	-82.5	161.5	0	0	0	106.5	G66 K70	G66-L68 PolarHBondContact O-N 2.96Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.47Å
69	K	27.3	Very low	32.9	Very low	192 Å²	192	140.2 Å²	140.2	84%	0.835	72%	0.721	S	S	*	*			trans	-52.9	103.1	161.9	-98.6	179.9	172.3	178.1	0	107.1	P67 V71	P67-K69 VanDerWaalsContact C-N 3.31Å; P67-K69 PolarHBondContact O-N 2.85Å; K69-V71 PolarHBondContact O-N 3.39Å
70	K	26.3	Very low	34.6	Very low	185 Å²	185	135 Å²	135	80%	0.804	70%	0.696	S	S	*	*			trans	-55.8	111.3	156.6	-91.8	-179.6	171.1	179.6	0	105.8	L68 D72	L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.47Å; K70-D72 PolarHBondContact O-N 3.11Å; K70-D72 VanDerWaalsContact O-N 3.14Å
71	V	32.6	Very low	36.5	Very low	109 Å²	109	126.8 Å²	126.8	66%	0.661	66%	0.657	S	S	*	*			trans	-74.2	101.6	168.6	178.2	0	0	0	0	105.3	K69 N73	K69-V71 PolarHBondContact O-N 3.39Å; V71-N73 PolarHBondContact O-N 3.42Å
72	D	28.3	Very low	38.1	Very low	109 Å²	109	122 Å²	122	58%	0.583	65%	0.645	S	S	*	*			trans	-61.3	133.2	172.7	-72	-38.7	0	0	0	109.4	K70 T74	K70-D72 PolarHBondContact O-N 3.11Å; K70-D72 VanDerWaalsContact O-N 3.14Å; D72-T74 HydrophobicContact CB-CG2 4.39Å; D72-T74 WeakPolarHBondContact CB-OG1 3.43Å; D72-T74 PolarHBondContact O-N 2.71Å
73	N	39.1	Very low	39.8	Very low	149 Å²	149	115.8 Å²	115.8	80%	0.797	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	22.4	177.6	-98.2	-18.1	0	0	0	113.6	V71	V71-N73 PolarHBondContact O-N 3.42Å
74	T	33.9	Very low	41.8	Very low	120 Å²	120	107 Å²	107	74%	0.736	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	6.8	-173	51.9	0	0	0	0	114	D72 T76	D72-T74 HydrophobicContact CB-CG2 4.39Å; D72-T74 WeakPolarHBondContact CB-OG1 3.43Å; D72-T74 PolarHBondContact O-N 2.71Å; T74-T76 PolarHBondContact O-N 2.87Å
75	L	43.7	Very low	43.8	Very low	83 Å²	83	102.6 Å²	102.6	44%	0.435	57%	0.571	S	S	.	*	S	Bend	trans	-70.1	121.7	170	-74	159.5	0	0	0	109.6	Q79 R80	L75-Q79 HydrophobicContact CB-CB 4.34Å; L75-Q79 HydrophobicContact CD2-CB 3.78Å; L75-R80 HydrophobicContact CB-CG 4.46Å
76	T	50.5	Low	45.9	Very low	85 Å²	85	106 Å²	106	52%	0.521	57%	0.571	S	S	.	*			trans	-53.2	143.8	168.5	49.1	0	0	0	0	109.8	T74 A78 Q79	T74-T76 PolarHBondContact O-N 2.87Å; T76-A78 PolarHBondContact O-N 3.37Å; T76-Q79 VanDerWaalsContact N-OE1 3.13Å; T76-Q79 WeakPolarHBondContact O-CB 3.44Å; T76-Q79 PolarHBondContact O-N 3.14Å; T76-Q79 VanDerWaalsContact OG1-CG 3.3Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.46Å; T76-Q79 PolarHBondContact OG1-OE1 3.06Å
77	E	51.5	Low	48	Very low	89 Å²	89	109.6 Å²	109.6	42%	0.416	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.6	-29.8	-174.7	-70.3	179.6	152.4	0	0	113.4	R80 S272 A276	E77-R80 PolarHBondContact O-N 2.86Å; E77-S272 WeakPolarHBondContact OE2-CB 3.17Å; E77-A276 HydrophobicContact CB-CB 4.2Å
78	A	44.3	Very low	50.4	Low	49 Å²	49	107.1 Å²	107.1	41%	0.405	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-28.7	174.8	0	0	0	0	0	114	T76 R80	T76-A78 PolarHBondContact O-N 3.37Å; A78-R80 VanDerWaalsContact C-N 3.34Å
79	Q	50.5	Low	53.2	Low	96 Å²	96	101.5 Å²	101.5	45%	0.449	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-76.6	-20.9	177.1	-71	169.4	-35.8	0	0	112.3	L75 T76 F81 S82	L75-Q79 HydrophobicContact CB-CB 4.34Å; L75-Q79 HydrophobicContact CD2-CB 3.78Å; T76-Q79 VanDerWaalsContact N-OE1 3.13Å; T76-Q79 WeakPolarHBondContact O-CB 3.44Å; T76-Q79 PolarHBondContact O-N 3.14Å; T76-Q79 VanDerWaalsContact OG1-CG 3.3Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.46Å; T76-Q79 PolarHBondContact OG1-OE1 3.06Å; Q79-F81 VanDerWaalsContact C-N 3.25Å; Q79-F81 PolarHBondContact O-N 2.88Å; Q79-S82 WeakPolarHBondContact O-CB 3.3Å; Q79-S82 PolarHBondContact O-N 3.09Å; Q79-S82 PolarHBondContact O-OG 2.79Å
80	R	63.2	Low	56.1	Low	84 Å²	84	92.9 Å²	92.9	32%	0.317	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-66.2	-22.2	-177.1	-68.9	-171.6	-179	175.1	1.5	114.6	L75 E77 A78 A218	L75-R80 HydrophobicContact CB-CG 4.46Å; E77-R80 PolarHBondContact O-N 2.86Å; A78-R80 VanDerWaalsContact C-N 3.34Å; R80-A218 HydrophobicContact CB-CB 4.17Å; R80-A218 WeakPolarHBondContact CD-O 3.25Å
81	F	66	Low	59.2	Low	16 Å²	16	86.1 Å²	86.1	7%	0.07	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-113.4	12.1	-180	-59	-71.9	0	0	0	113.1	Q79 S83 L84 A218 L219 L246 L273 A276 L277	Q79-F81 VanDerWaalsContact C-N 3.25Å; Q79-F81 PolarHBondContact O-N 2.88Å; F81-S83 PolarHBondContact O-N 2.87Å; F81-L84 HydrophobicContact CB-CD1 4.33Å; F81-L84 HydrophobicContact CD1-CD1 3.94Å; F81-L84 PolarHBondContact O-N 2.84Å; F81-A218 HydrophobicContact CD1-CB 4.15Å; F81-A218 HydrophobicContact CE1-CB 3.56Å; F81-A218 HydrophobicContact CZ-CB 3.92Å; F81-L219 HydrophobicContact CE1-CD2 4.42Å; F81-L219 HydrophobicContact CZ-CD2 4Å; F81-L246 HydrophobicContact CE1-CD1 4.4Å; F81-L273 HydrophobicContact CE1-CD1 4.35Å; F81-L273 HydrophobicContact CE2-CD1 3.45Å; F81-L273 VanDerWaalsContact CE2-CD1 3.45Å; F81-L273 HydrophobicContact CZ-CD1 3.25Å; F81-A276 HydrophobicContact CD2-CB 4.18Å; F81-A276 HydrophobicContact CE2-CB 4.21Å; F81-L277 HydrophobicContact CD1-CD2 4.07Å; F81-L277 HydrophobicContact CD2-CD2 4.2Å; F81-L277 HydrophobicContact CE1-CD2 4.19Å; F81-L277 HydrophobicContact CE2-CD2 4.33Å; F81-L277 HydrophobicContact CG-CD2 4.07Å; F81-L277 HydrophobicContact CZ-CD2 4.34Å
82	S	58.6	Low	62.1	Low	95 Å²	95	81 Å²	81	66%	0.664	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.2	177.8	63.6	0	0	0	0	113.3	Q79	Q79-S82 WeakPolarHBondContact O-CB 3.3Å; Q79-S82 PolarHBondContact O-N 3.09Å; Q79-S82 PolarHBondContact O-OG 2.79Å
83	S	62.3	Low	65.3	Low	71 Å²	71	78 Å²	78	50%	0.497	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.8	174.7	67.8	0	0	0	0	113.6	F81 E214	F81-S83 PolarHBondContact O-N 2.87Å; S83-E214 WeakPolarHBondContact CB-OE2 3.42Å; S83-E214 PolarHBondContact OG-OE2 3.39Å
84	L	68.6	Low	68	Low	16 Å²	16	70.9 Å²	70.9	8%	0.084	38%	0.38	C	S	.	.	S	Bend	trans	-71.1	137.3	176.4	-68.7	175.5	0	0	0	109.9	F81 R86 R282	F81-L84 HydrophobicContact CB-CD1 4.33Å; F81-L84 HydrophobicContact CD1-CD1 3.94Å; F81-L84 PolarHBondContact O-N 2.84Å; L84-R86 PolarHBondContact O-N 2.84Å; L84-R282 VanDerWaalsContact CD1-NH2 3.33Å
85	P	68.1	Low	70.8	Confident	79 Å²	79	68.9 Å²	68.9	51%	0.513	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-58.8	136.1	-178.9	19.5	-28.3	0	0	0	110.8	R87 N249	P85-R87 PolarHBondContact O-N 3.43Å; P85-N249 PolarHBondContact O-ND2 2.87Å
86	R	67.9	Low	73.1	Confident	245 Å²	245	68.8 Å²	68.8	93%	0.925	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-67.4	125.4	176.5	-70.9	-174.6	179.5	177.8	0	109.3	L84	L84-R86 PolarHBondContact O-N 2.84Å
87	R	71.8	Confident	75.2	Confident	128 Å²	128	64.7 Å²	64.7	48%	0.483	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-96.5	154.5	172.8	-68.7	-68.6	-162.9	-178.9	0.9	109.4	P85 N248 N249 P251	P85-R87 PolarHBondContact O-N 3.43Å; R87-N248 PolarHBondContact NH2-O 3.41Å; R87-N248 VanDerWaalsContact NH2-O 3.15Å; R87-N249 WeakPolarHBondContact CG-O 3.46Å; R87-N249 PolarHBondContact NE-O 3.48Å; R87-P251 HydrophobicContact CB-CB 4.18Å
88	P	77.9	Confident	77.2	Confident	81 Å²	81	61.8 Å²	61.8	53%	0.526	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-59.3	144.4	173.2	25.9	-34.3	0	0	0	110.4	V90	P88-V90 PolarHBondContact O-N 3.33Å
89	A	84.8	Confident	79.5	Confident	51 Å²	51	60.2 Å²	60.2	42%	0.421	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-63.1	132.2	175.6	0	0	0	0	0	110.4	N161	A89-N161 PolarHBondContact O-ND2 2.59Å
90	V	88.4	Confident	81.4	Confident	11 Å²	11	57.4 Å²	57.4	7%	0.067	30%	0.3	C	S	.	.			trans	-122.1	107.7	179.4	-178.2	0	0	0	0	109.7	P88 I160 P251 V252 T283	P88-V90 PolarHBondContact O-N 3.33Å; V90-I160 HydrophobicContact CG1-CG2 3.59Å; V90-P251 HydrophobicContact CB-CB 4.26Å; V90-P251 HydrophobicContact CB-CG 4.44Å; V90-P251 HydrophobicContact CG2-CB 3.75Å; V90-P251 HydrophobicContact CG2-CG 3.66Å; V90-V252 HydrophobicContact CB-CG2 3.7Å; V90-V252 HydrophobicContact CG1-CG2 3.48Å; V90-V252 VanDerWaalsContact CG1-CG2 3.48Å; V90-T283 PolarHBondContact O-OG1 3.09Å
91	N	91.8	Very high	82.5	Confident	43 Å²	43	56 Å²	56	23%	0.23	30%	0.299	C	S	.	.			trans	-93.9	139.7	175.4	-57	-36.2	0	0	0	109.6	F123 T124 S125 I160 N161	N91-F123 CarbonylContact C-O 3.52Å; N91-F123 WeakPolarHBondContact CA-O 3.33Å; N91-T124 VanDerWaalsContact OD1-CA 3.27Å; N91-T124 WeakPolarHBondContact OD1-CA 3.37Å; N91-S125 PolarHBondContact OD1-N 3.22Å; N91-I160 WeakPolarHBondContact O-CA 3.34Å; N91-N161 WeakPolarHBondContact CB-OD1 3.44Å; N91-N161 PolarHBondContact N-OD1 3.21Å; N91-N161 PolarHBondContact O-N 2.89Å
92	I	94.1	Very high	83.3	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.4	178	-58	176.9	0	0	0	107.9	K122 F123 L146 I158 I160 F170 V252 F254 I285	I92-K122 CarbonylContact O-C 3.6Å; I92-K122 WeakPolarHBondContact O-CA 3.43Å; I92-F123 PolarHBondContact N-O 3.09Å; I92-F123 PolarHBondContact O-N 3.34Å; I92-L146 HydrophobicContact CG2-CD2 4.2Å; I92-I158 HydrophobicContact CG2-CG2 4.4Å; I92-I160 HydrophobicContact CB-CD1 4.48Å; I92-I160 HydrophobicContact CG1-CD1 3.96Å; I92-I160 HydrophobicContact CG2-CD1 4.31Å; I92-F170 HydrophobicContact CD1-CE2 4.14Å; I92-F170 HydrophobicContact CD1-CZ 3.85Å; I92-F170 HydrophobicContact CG1-CE2 4.41Å; I92-V252 HydrophobicContact CD1-CG1 3.55Å; I92-V252 HydrophobicContact CD1-CG2 4.19Å; I92-F254 HydrophobicContact CD1-CE1 4.4Å; I92-F254 HydrophobicContact CD1-CZ 3.74Å; I92-I285 HydrophobicContact CD1-CD1 4.03Å
93	E	94.4	Very high	84.1	Confident	46 Å²	46	60 Å²	60	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.7	175.3	-178.4	175.3	164.3	0	0	108.8	K95 G121 K122 I158 L159	E93-K95 WeakPolarHBondContact OE1-CE 3.42Å; E93-K95 IonicContact OE1-NZ 2.89Å; E93-K95 PolarHBondContact OE1-NZ 3.1Å; E93-G121 WeakPolarHBondContact CA-O 3.28Å; E93-K122 HydrophobicContact CB-CG 4.29Å; E93-K122 HydrophobicContact CG-CB 4.42Å; E93-I158 CarbonylContact O-C 3.57Å; E93-I158 WeakPolarHBondContact O-CA 3.44Å; E93-L159 HydrophobicContact CB-CB 4.22Å; E93-L159 HydrophobicContact CG-CD1 4.49Å; E93-L159 PolarHBondContact N-O 2.96Å; E93-L159 PolarHBondContact O-N 3.39Å
94	F	94.9	Very high	84.1	Confident	1 Å²	1	58.6 Å²	58.6	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.1	178.6	57.5	-86.6	0	0	0	109.4	V97 I119 S120 G121 F123 L142 L146 E157 I158 Y303	F94-V97 HydrophobicContact CB-CG2 3.81Å; F94-V97 HydrophobicContact CD2-CG2 4.33Å; F94-I119 HydrophobicContact CE2-CD1 4.35Å; F94-I119 HydrophobicContact CE2-CG1 4.34Å; F94-S120 CarbonylContact O-C 3.59Å; F94-S120 WeakPolarHBondContact O-CA 3.36Å; F94-G121 VanDerWaalsContact CD1-O 3.26Å; F94-G121 WeakPolarHBondContact CD1-O 3.32Å; F94-G121 WeakPolarHBondContact CE1-O 3.41Å; F94-G121 VanDerWaalsContact CE2-N 3.26Å; F94-G121 PolarHBondContact N-O 3.45Å; F94-G121 PolarHBondContact O-N 2.88Å; F94-F123 HydrophobicContact CE1-CD2 4.22Å; F94-F123 HydrophobicContact CE1-CE1 4.27Å; F94-F123 AromaticContact CE1-CE2 3.72Å; F94-F123 HydrophobicContact CE1-CE2 3.72Å; F94-F123 AromaticContact CE1-CZ 3.74Å; F94-F123 HydrophobicContact CE1-CZ 3.74Å; F94-F123 HydrophobicContact CZ-CE2 4.42Å; F94-F123 HydrophobicContact CZ-CZ 4.08Å; F94-L142 HydrophobicContact CE2-CD1 4.45Å; F94-L146 HydrophobicContact CB-CD2 4.01Å; F94-L146 HydrophobicContact CD1-CD1 4.43Å; F94-L146 HydrophobicContact CD1-CD2 3.67Å; F94-L146 HydrophobicContact CE1-CD1 4.32Å; F94-L146 HydrophobicContact CE1-CD2 4.35Å; F94-L146 HydrophobicContact CG-CD2 3.94Å; F94-E157 CarbonylContact C-O 3.45Å; F94-E157 WeakPolarHBondContact CA-O 3.43Å; F94-I158 HydrophobicContact CB-CG1 4.19Å; F94-Y303 HydrophobicContact CE2-CE2 4.29Å; F94-Y303 AromaticContact CE2-CZ 3.98Å; F94-Y303 WeakPolarHBondContact CE2-OH 3.46Å; F94-Y303 HydrophobicContact CZ-CD2 4.45Å; F94-Y303 HydrophobicContact CZ-CE1 4.47Å; F94-Y303 AromaticContact CZ-CE2 3.73Å; F94-Y303 HydrophobicContact CZ-CE2 3.73Å; F94-Y303 AromaticContact CZ-CZ 3.75Å
95	K	93.1	Very high	83.8	Confident	77 Å²	77	60.7 Å²	60.7	34%	0.335	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.7	-173.2	-63.5	-173.5	179.4	-175.7	0	110.1	E93 V97 G156 E157 L159	E93-K95 WeakPolarHBondContact OE1-CE 3.42Å; E93-K95 IonicContact OE1-NZ 2.89Å; E93-K95 PolarHBondContact OE1-NZ 3.1Å; K95-V97 PolarHBondContact O-N 3.41Å; K95-V97 VanDerWaalsContact O-N 3.08Å; K95-G156 WeakPolarHBondContact O-CA 3.4Å; K95-E157 PolarHBondContact N-O 3.17Å; K95-E157 PolarHBondContact O-N 3.28Å; K95-L159 HydrophobicContact CD-CD1 4.1Å
96	D	93.1	Very high	83.5	Confident	81 Å²	81	67.4 Å²	67.4	43%	0.433	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.8	39.1	174.9	-55.4	-42	0	0	0	114.1	S98 A118 I119 S120 K363	D96-S98 PolarHBondContact O-N 3.4Å; D96-S98 PolarHBondContact O-OG 3.3Å; D96-A118 HydrophobicContact CB-CB 4.43Å; D96-I119 PolarHBondContact N-O 2.99Å; D96-S120 PolarHBondContact N-OG 3.01Å; D96-S120 PolarHBondContact OD1-OG 3.46Å; D96-S120 VanDerWaalsContact OD1-OG 3.11Å; D96-K363 IonicContact OD1-NZ 3.28Å; D96-K363 PolarHBondContact OD1-NZ 2.67Å; D96-K363 IonicContact OD2-NZ 2.77Å
97	V	93.9	Very high	83.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.4	-177.4	174.6	0	0	0	0	110	F94 K95 A118 I119 I145 M154 K155 I158	F94-V97 HydrophobicContact CB-CG2 3.81Å; F94-V97 HydrophobicContact CD2-CG2 4.33Å; K95-V97 PolarHBondContact O-N 3.41Å; K95-V97 VanDerWaalsContact O-N 3.08Å; V97-A118 CarbonylContact O-C 3.58Å; V97-A118 WeakPolarHBondContact O-CA 3.47Å; V97-A118 PolarHBondContact O-N 3.47Å; V97-I119 HydrophobicContact CB-CG1 4.17Å; V97-I119 PolarHBondContact N-O 3.47Å; V97-I119 WeakPolarHBondContact O-CG1 3.28Å; V97-I119 PolarHBondContact O-N 3.04Å; V97-I145 HydrophobicContact CG1-CG2 4.14Å; V97-M154 HydrophobicContact CG1-CG 4.06Å; V97-M154 HydrophobicContact CG1-SD 4.35Å; V97-K155 CarbonylContact C-O 3.6Å; V97-K155 VanDerWaalsContact CA-O 3.26Å; V97-K155 WeakPolarHBondContact CA-O 3.27Å; V97-I158 HydrophobicContact CG2-CG1 4.24Å
98	S	93.7	Very high	82.9	Confident	28 Å²	28	68.4 Å²	68.4	20%	0.196	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.3	176.2	-57.4	0	0	0	0	109.8	D96 L116 A118 M154 K155	D96-S98 PolarHBondContact O-N 3.4Å; D96-S98 PolarHBondContact O-OG 3.3Å; S98-L116 WeakPolarHBondContact CA-O 3.45Å; S98-A118 WeakPolarHBondContact OG-CA 3.37Å; S98-A118 PolarHBondContact OG-N 3.2Å; S98-M154 CarbonylContact O-C 3.59Å; S98-M154 WeakPolarHBondContact O-CA 3.38Å; S98-K155 PolarHBondContact N-O 2.87Å; S98-K155 PolarHBondContact O-N 3.3Å
99	Y	92.9	Very high	81.9	Confident	15 Å²	15	72.9 Å²	72.9	6%	0.059	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.6	-178.9	-176.3	-108.2	0	0	0	110.7	I101 T114 L115 L116 T141 I145 T152 M154	Y99-I101 HydrophobicContact CD1-CG2 4.21Å; Y99-I101 HydrophobicContact CE1-CG2 3.36Å; Y99-T114 CarbonylContact O-C 3.49Å; Y99-L115 HydrophobicContact CD1-CB 4.2Å; Y99-L115 HydrophobicContact CD1-CD1 3.99Å; Y99-L115 HydrophobicContact CD1-CG 4.43Å; Y99-L115 HydrophobicContact CE1-CD1 3.96Å; Y99-L115 PolarHBondContact O-N 3.02Å; Y99-L116 PolarHBondContact N-O 2.68Å; Y99-L116 PolarHBondContact O-N 3.05Å; Y99-T141 HydrophobicContact CD1-CG2 3.49Å; Y99-T141 VanDerWaalsContact CD1-CG2 3.49Å; Y99-T141 HydrophobicContact CE1-CG2 3.85Å; Y99-T141 HydrophobicContact CG-CG2 4.32Å; Y99-I145 HydrophobicContact CD1-CD1 4.22Å; Y99-I145 HydrophobicContact CD2-CD1 3.87Å; Y99-I145 HydrophobicContact CG-CD1 3.66Å; Y99-T152 VanDerWaalsContact CE2-O 3.28Å; Y99-T152 WeakPolarHBondContact CE2-O 3.47Å; Y99-M154 HydrophobicContact CD2-CB 4.2Å
100	S	89.9	Confident	81	Confident	38 Å²	38	78.2 Å²	78.2	27%	0.266	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.9	-179.7	-55.5	0	0	0	0	110.4	K113 T114	S100-K113 CarbonylContact C-O 3.5Å; S100-K113 WeakPolarHBondContact CA-O 2.8Å; S100-T114 PolarHBondContact OG-OG1 3.24Å
101	I	87.4	Confident	80.6	Confident	55 Å²	55	79.4 Å²	79.4	28%	0.282	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	149.2	174.3	59.6	165.6	0	0	0	110	Y99 Y112 K113 L115	Y99-I101 HydrophobicContact CD1-CG2 4.21Å; Y99-I101 HydrophobicContact CE1-CG2 3.36Å; I101-Y112 CarbonylContact O-C 3.57Å; I101-Y112 VanDerWaalsContact O-CA 3.28Å; I101-Y112 WeakPolarHBondContact O-CA 3.49Å; I101-K113 HydrophobicContact CG1-CB 4.16Å; I101-K113 PolarHBondContact N-O 3.21Å; I101-K113 PolarHBondContact O-N 3.05Å; I101-L115 HydrophobicContact CD1-CD1 4.04Å; I101-L115 HydrophobicContact CD1-CD2 4.33Å; I101-L115 HydrophobicContact CD1-CG 4.4Å; I101-L115 HydrophobicContact CG1-CD1 4.07Å; I101-L115 HydrophobicContact CG1-CD2 4.39Å; I101-L115 HydrophobicContact CG1-CG 4.12Å; I101-L115 HydrophobicContact CG2-CD1 3.75Å; I101-L115 HydrophobicContact CG2-CG 4.43Å
102	R	81.3	Confident	80.1	Confident	121 Å²	121	85.5 Å²	85.5	46%	0.457	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.3	173.2	-175.3	172	167.1	-171.8	-10.1	109.5	Y112	R102-Y112 HydrophobicContact CB-CD1 4.19Å; R102-Y112 HydrophobicContact CB-CE1 3.96Å; R102-Y112 HydrophobicContact CG-CE1 4.4Å
103	E	76.7	Confident	79.7	Confident	74 Å²	74	90.6 Å²	90.6	35%	0.346	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.7	174.6	-75	-164	154.9	0	0	112.2	K110 G111 K113	E103-K110 HydrophobicContact CB-CB 4.14Å; E103-K110 PolarHBondContact O-N 2.69Å; E103-G111 PolarHBondContact N-O 2.83Å; E103-K113 HydrophobicContact CG-CB 3.71Å; E103-K113 WeakPolarHBondContact OE1-CB 3.44Å; E103-K113 WeakPolarHBondContact OE1-CD 3.36Å
104	G	61.1	Low	79.4	Confident	40 Å²	40	91.6 Å²	91.6	41%	0.412	42%	0.423	S	S	.	.	S	Bend	trans	108.1	157.3	171.9	0	0	0	0	0	113.9
105	P	62.1	Low	79.2	Confident	60 Å²	60	93.2 Å²	93.2	39%	0.39	43%	0.432	S	S	.	.			trans	-58.3	158.8	171.5	-18.7	30.6	0	0	0	111.3	W107 R108	P105-W107 HydrophobicContact CB-CD2 3.59Å; P105-W107 HydrophobicContact CB-CE3 4.19Å; P105-W107 HydrophobicContact CB-CG 4.01Å; P105-W107 HydrophobicContact CB-CH2 4.1Å; P105-W107 HydrophobicContact CB-CZ2 3.49Å; P105-W107 VanDerWaalsContact CB-CZ2 3.49Å; P105-W107 HydrophobicContact CB-CZ3 4.42Å; P105-W107 HydrophobicContact CG-CZ2 4.13Å; P105-W107 PolarHBondContact O-N 3.23Å; P105-R108 CarbonylContact O-C 3.57Å; P105-R108 PolarHBondContact O-N 2.71Å
106	W	61.5	Low	79.3	Confident	221 Å²	221	89.6 Å²	89.6	84%	0.837	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-33	179.7	178.6	74.2	0	0	0	113
107	W	66.8	Low	79.3	Confident	209 Å²	209	89.7 Å²	89.7	79%	0.792	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.7	178.9	49.8	89.2	0	0	0	116.3	P105	P105-W107 HydrophobicContact CB-CD2 3.59Å; P105-W107 HydrophobicContact CB-CE3 4.19Å; P105-W107 HydrophobicContact CB-CG 4.01Å; P105-W107 HydrophobicContact CB-CH2 4.1Å; P105-W107 HydrophobicContact CB-CZ2 3.49Å; P105-W107 VanDerWaalsContact CB-CZ2 3.49Å; P105-W107 HydrophobicContact CB-CZ3 4.42Å; P105-W107 HydrophobicContact CG-CZ2 4.13Å; P105-W107 PolarHBondContact O-N 3.23Å
108	R	60.9	Low	79.2	Confident	185 Å²	185	92.1 Å²	92.1	70%	0.698	43%	0.433	S	S	*	.	S	Bend	trans	-141.6	104.2	-180	-140.7	177.6	-161.8	171.3	4.7	111.5	P105 K110	P105-R108 CarbonylContact O-C 3.57Å; P105-R108 PolarHBondContact O-N 2.71Å; R108-K110 PolarHBondContact O-N 3.22Å
109	K	57.9	Low	79.2	Confident	175 Å²	175	91 Å²	91	76%	0.761	42%	0.424	S	S	*	.			trans	-71.6	108.2	178.2	-63.9	-176.7	-175.7	178	0	109.6
110	K	64.6	Low	79.2	Confident	163 Å²	163	90.8 Å²	90.8	71%	0.709	43%	0.425	S	S	*	.			trans	-96.8	-6.6	176	-94.8	-171.3	172.1	-172.1	0	114.3	E103 R108	E103-K110 HydrophobicContact CB-CB 4.14Å; E103-K110 PolarHBondContact O-N 2.69Å; R108-K110 PolarHBondContact O-N 3.22Å
111	G	80.7	Confident	79.3	Confident	36 Å²	36	89.3 Å²	89.3	37%	0.371	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.1	-158.1	178.5	0	0	0	0	0	112.4	E103	E103-G111 PolarHBondContact N-O 2.83Å
112	Y	81.3	Confident	79.6	Confident	171 Å²	171	92.3 Å²	92.3	67%	0.671	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.5	175.1	-71	-89.2	0	0	0	110	I101 R102	I101-Y112 CarbonylContact O-C 3.57Å; I101-Y112 VanDerWaalsContact O-CA 3.28Å; I101-Y112 WeakPolarHBondContact O-CA 3.49Å; R102-Y112 HydrophobicContact CB-CD1 4.19Å; R102-Y112 HydrophobicContact CB-CE1 3.96Å; R102-Y112 HydrophobicContact CG-CE1 4.4Å
113	K	85.4	Confident	80.2	Confident	107 Å²	107	86.8 Å²	86.8	47%	0.465	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.9	170.7	176.8	170	176.5	177	0	109.5	S100 I101 E103 L115	S100-K113 CarbonylContact C-O 3.5Å; S100-K113 WeakPolarHBondContact CA-O 2.8Å; I101-K113 HydrophobicContact CG1-CB 4.16Å; I101-K113 PolarHBondContact N-O 3.21Å; I101-K113 PolarHBondContact O-N 3.05Å; E103-K113 HydrophobicContact CG-CB 3.71Å; E103-K113 WeakPolarHBondContact OE1-CB 3.44Å; E103-K113 WeakPolarHBondContact OE1-CD 3.36Å; K113-L115 HydrophobicContact CD-CD2 4.23Å; K113-L115 HydrophobicContact CG-CD2 4.02Å; K113-L115 PolarHBondContact O-N 3.12Å
114	T	88.2	Confident	81	Confident	66 Å²	66	84.8 Å²	84.8	41%	0.405	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	116.6	174.8	-56.3	0	0	0	0	109.6	Y99 S100 L116 K117	Y99-T114 CarbonylContact O-C 3.49Å; S100-T114 PolarHBondContact OG-OG1 3.24Å; T114-L116 WeakPolarHBondContact CG2-O 3.49Å; T114-K117 HydrophobicContact CG2-CG 3.85Å
115	L	91.3	Very high	82.4	Confident	36 Å²	36	84.2 Å²	84.2	19%	0.188	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-31.7	179.4	-59.3	-177.6	0	0	0	112.4	Y99 I101 K113 T141 G308	Y99-L115 HydrophobicContact CD1-CB 4.2Å; Y99-L115 HydrophobicContact CD1-CD1 3.99Å; Y99-L115 HydrophobicContact CD1-CG 4.43Å; Y99-L115 HydrophobicContact CE1-CD1 3.96Å; Y99-L115 PolarHBondContact O-N 3.02Å; I101-L115 HydrophobicContact CD1-CD1 4.04Å; I101-L115 HydrophobicContact CD1-CD2 4.33Å; I101-L115 HydrophobicContact CD1-CG 4.4Å; I101-L115 HydrophobicContact CG1-CD1 4.07Å; I101-L115 HydrophobicContact CG1-CD2 4.39Å; I101-L115 HydrophobicContact CG1-CG 4.12Å; I101-L115 HydrophobicContact CG2-CD1 3.75Å; I101-L115 HydrophobicContact CG2-CG 4.43Å; K113-L115 HydrophobicContact CD-CD2 4.23Å; K113-L115 HydrophobicContact CG-CD2 4.02Å; K113-L115 PolarHBondContact O-N 3.12Å; L115-T141 HydrophobicContact CB-CG2 4.38Å; L115-T141 HydrophobicContact CD1-CG2 4.18Å; L115-G308 WeakPolarHBondContact O-CA 3.17Å
116	L	93.8	Very high	83.7	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.9	176.7	-60	174.1	0	0	0	109.4	S98 Y99 T114 I119 T141 L142 I145	S98-L116 WeakPolarHBondContact CA-O 3.45Å; Y99-L116 PolarHBondContact N-O 2.68Å; Y99-L116 PolarHBondContact O-N 3.05Å; T114-L116 WeakPolarHBondContact CG2-O 3.49Å; L116-I119 HydrophobicContact CB-CD1 4.46Å; L116-I119 HydrophobicContact CD1-CD1 4.16Å; L116-I119 HydrophobicContact CD2-CD1 4.01Å; L116-I119 HydrophobicContact CG-CD1 4.44Å; L116-T141 HydrophobicContact CD1-CG2 4.04Å; L116-T141 HydrophobicContact CG-CG2 4.28Å; L116-L142 HydrophobicContact CD1-CB 4.25Å; L116-L142 HydrophobicContact CD2-CB 4.48Å; L116-I145 HydrophobicContact CD1-CD1 3.55Å
117	K	93.6	Very high	85.2	Confident	83 Å²	83	73.7 Å²	73.7	36%	0.361	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	89.8	-171.1	-59.9	175.2	-171	156.8	0	110.1	T114 I119 Q307 G308 Q309	T114-K117 HydrophobicContact CG2-CG 3.85Å; K117-I119 PolarHBondContact O-N 3.35Å; K117-Q307 WeakPolarHBondContact CE-O 3.4Å; K117-Q307 PolarHBondContact NZ-O 2.97Å; K117-Q307 VanDerWaalsContact NZ-O 3.11Å; K117-G308 PolarHBondContact N-O 3.29Å; K117-Q309 HydrophobicContact CB-CG 3.83Å; K117-Q309 HydrophobicContact CD-CG 3.89Å; K117-Q309 HydrophobicContact CG-CG 4.41Å
118	A	91.8	Very high	86.6	Confident	52 Å²	52	63.8 Å²	63.8	43%	0.43	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.1	54.3	174.5	0	0	0	0	0	114.5	D96 V97 S98	D96-A118 HydrophobicContact CB-CB 4.43Å; V97-A118 CarbonylContact O-C 3.58Å; V97-A118 WeakPolarHBondContact O-CA 3.47Å; V97-A118 PolarHBondContact O-N 3.47Å; S98-A118 WeakPolarHBondContact OG-CA 3.37Å; S98-A118 PolarHBondContact OG-N 3.2Å
119	I	93.7	Very high	88.3	Confident	3 Å²	3	55 Å²	55	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	144.3	-178.6	57.4	165.9	0	0	0	111.7	F94 D96 V97 L116 K117 L142 L305 G308 C310	F94-I119 HydrophobicContact CE2-CD1 4.35Å; F94-I119 HydrophobicContact CE2-CG1 4.34Å; D96-I119 PolarHBondContact N-O 2.99Å; V97-I119 HydrophobicContact CB-CG1 4.17Å; V97-I119 PolarHBondContact N-O 3.47Å; V97-I119 WeakPolarHBondContact O-CG1 3.28Å; V97-I119 PolarHBondContact O-N 3.04Å; L116-I119 HydrophobicContact CB-CD1 4.46Å; L116-I119 HydrophobicContact CD1-CD1 4.16Å; L116-I119 HydrophobicContact CD2-CD1 4.01Å; L116-I119 HydrophobicContact CG-CD1 4.44Å; K117-I119 PolarHBondContact O-N 3.35Å; I119-L142 HydrophobicContact CD1-CB 4.44Å; I119-L142 HydrophobicContact CD1-CD1 3.55Å; I119-L142 HydrophobicContact CD1-CD2 3.83Å; I119-L142 HydrophobicContact CD1-CG 4.13Å; I119-L305 HydrophobicContact CD1-CD2 4.33Å; I119-L305 HydrophobicContact CG2-CD2 4.29Å; I119-G308 WeakPolarHBondContact CG2-O 3.27Å; I119-C310 HydrophobicContact CG2-CB 4.41Å
120	S	93.3	Very high	90.2	Very high	11 Å²	11	46.6 Å²	46.6	8%	0.077	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.3	-178.3	-58.4	0	0	0	0	111.9	F94 D96 Y303 R313 K363	F94-S120 CarbonylContact O-C 3.59Å; F94-S120 WeakPolarHBondContact O-CA 3.36Å; D96-S120 PolarHBondContact N-OG 3.01Å; D96-S120 PolarHBondContact OD1-OG 3.46Å; D96-S120 VanDerWaalsContact OD1-OG 3.11Å; S120-Y303 PolarHBondContact O-OH 2.95Å; S120-R313 PolarHBondContact O-NH1 3.2Å; S120-K363 PolarHBondContact OG-NZ 3.47Å
121	G	92.6	Very high	91.7	Very high	8 Å²	8	38.9 Å²	38.9	8%	0.082	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	169.8	179.1	0	0	0	0	0	113.5	E93 F94	E93-G121 WeakPolarHBondContact CA-O 3.28Å; F94-G121 VanDerWaalsContact CD1-O 3.26Å; F94-G121 WeakPolarHBondContact CD1-O 3.32Å; F94-G121 WeakPolarHBondContact CE1-O 3.41Å; F94-G121 VanDerWaalsContact CE2-N 3.26Å; F94-G121 PolarHBondContact N-O 3.45Å; F94-G121 PolarHBondContact O-N 2.88Å
122	K	92.9	Very high	92.4	Very high	117 Å²	117	37.1 Å²	37.1	51%	0.509	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.1	-179.7	-174.6	174.1	-179.8	171.3	0	110.7	I92 E93 T124	I92-K122 CarbonylContact O-C 3.6Å; I92-K122 WeakPolarHBondContact O-CA 3.43Å; E93-K122 HydrophobicContact CB-CG 4.29Å; E93-K122 HydrophobicContact CG-CB 4.42Å; K122-T124 HydrophobicContact CG-CG2 4.25Å
123	F	94.8	Very high	93	Very high	6 Å²	6	29 Å²	29	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.5	175.9	-56.4	-32.4	0	0	0	109	N91 I92 F94 V129 I131 L146 T283 I285 Y303	N91-F123 CarbonylContact C-O 3.52Å; N91-F123 WeakPolarHBondContact CA-O 3.33Å; I92-F123 PolarHBondContact N-O 3.09Å; I92-F123 PolarHBondContact O-N 3.34Å; F94-F123 HydrophobicContact CE1-CD2 4.22Å; F94-F123 HydrophobicContact CE1-CE1 4.27Å; F94-F123 AromaticContact CE1-CE2 3.72Å; F94-F123 HydrophobicContact CE1-CE2 3.72Å; F94-F123 AromaticContact CE1-CZ 3.74Å; F94-F123 HydrophobicContact CE1-CZ 3.74Å; F94-F123 HydrophobicContact CZ-CE2 4.42Å; F94-F123 HydrophobicContact CZ-CZ 4.08Å; F123-V129 HydrophobicContact CB-CG2 4.34Å; F123-V129 HydrophobicContact CD1-CB 4.43Å; F123-V129 HydrophobicContact CD1-CG1 3.77Å; F123-V129 HydrophobicContact CD1-CG2 4.05Å; F123-V129 HydrophobicContact CE1-CG1 3.64Å; F123-V129 HydrophobicContact CG-CG1 4.46Å; F123-V129 HydrophobicContact CG-CG2 4.32Å; F123-V129 HydrophobicContact CZ-CG1 4.18Å; F123-I131 HydrophobicContact CE2-CD1 4.45Å; F123-I131 HydrophobicContact CZ-CD1 4.43Å; F123-L146 HydrophobicContact CD2-CD1 4.24Å; F123-L146 HydrophobicContact CE2-CD1 3.6Å; F123-T283 HydrophobicContact CB-CG2 4.1Å; F123-I285 HydrophobicContact CB-CD1 4.16Å; F123-I285 HydrophobicContact CB-CG1 4.37Å; F123-I285 HydrophobicContact CD2-CD1 3.46Å; F123-I285 VanDerWaalsContact CD2-CD1 3.46Å; F123-I285 HydrophobicContact CD2-CG1 3.86Å; F123-I285 HydrophobicContact CD2-CG2 4.47Å; F123-I285 HydrophobicContact CE2-CD1 4.19Å; F123-I285 HydrophobicContact CE2-CG1 4.43Å; F123-I285 HydrophobicContact CE2-CG2 4.23Å; F123-I285 HydrophobicContact CG-CD1 4.15Å; F123-I285 HydrophobicContact CG-CG1 4.27Å; F123-Y303 HydrophobicContact CE1-CD2 4.03Å; F123-Y303 HydrophobicContact CE1-CG 4.3Å; F123-Y303 HydrophobicContact CZ-CD2 4.24Å; F123-Y303 HydrophobicContact CZ-CG 4.24Å
124	T	92.2	Very high	93.3	Very high	31 Å²	31	25 Å²	25	19%	0.19	15%	0.147	C	C	.	.			trans	-109.7	149.5	-172	41.1	0	0	0	0	111.7	N91 K122 D127 K301	N91-T124 VanDerWaalsContact OD1-CA 3.27Å; N91-T124 WeakPolarHBondContact OD1-CA 3.37Å; K122-T124 HydrophobicContact CG-CG2 4.25Å; T124-D127 PolarHBondContact O-N 3.27Å; T124-D127 PolarHBondContact OG1-OD2 3.21Å; T124-K301 PolarHBondContact OG1-NZ 3.25Å
125	S	91.1	Very high	93.5	Very high	29 Å²	29	26.6 Å²	26.6	20%	0.203	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	139.6	172.5	167.1	0	0	0	0	110.9	N91 G281 T283	N91-S125 PolarHBondContact OD1-N 3.22Å; S125-G281 VanDerWaalsContact OG-C 3.25Å; S125-G281 PolarHBondContact OG-O 3.01Å; S125-T283 WeakPolarHBondContact CA-OG1 3.46Å; S125-T283 PolarHBondContact N-OG1 3.34Å
126	G	90.2	Very high	93.3	Very high	25 Å²	25	28.8 Å²	28.8	26%	0.258	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	-23.2	-176.8	0	0	0	0	0	113.8	A278 R282	G126-A278 VanDerWaalsContact CA-O 3.28Å; G126-A278 WeakPolarHBondContact CA-O 3.41Å; G126-A278 CarbonylContact O-C 3.59Å; G126-R282 PolarHBondContact N-O 2.67Å
127	D	92.8	Very high	93.2	Very high	35 Å²	35	28.9 Å²	28.9	19%	0.187	19%	0.192	C	C	.	.			trans	-95.9	139.6	-175	-64.9	-33.8	0	0	0	112.4	T124 V129 V284 D300 K301	T124-D127 PolarHBondContact O-N 3.27Å; T124-D127 PolarHBondContact OG1-OD2 3.21Å; D127-V129 HydrophobicContact CB-CG2 4.31Å; D127-V284 PolarHBondContact O-N 3.11Å; D127-D300 HydrophobicContact CB-CB 4.16Å; D127-K301 HydrophobicContact CB-CD 4.31Å; D127-K301 WeakPolarHBondContact OD2-CD 3.16Å; D127-K301 WeakPolarHBondContact OD2-CE 3.37Å; D127-K301 IonicContact OD2-NZ 3.25Å; D127-K301 PolarHBondContact OD2-NZ 3.1Å
128	L	96.4	Very high	93.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	111.2	163.5	179.9	61.8	0	0	0	109.4	V271 L274 K275 A278 V284 F299 D300 K301	L128-V271 HydrophobicContact CD2-CG1 4.24Å; L128-L274 HydrophobicContact CD1-CB 3.85Å; L128-L274 HydrophobicContact CD2-CB 4.44Å; L128-K275 HydrophobicContact CB-CD 4.14Å; L128-K275 HydrophobicContact CD2-CB 4.02Å; L128-K275 HydrophobicContact CD2-CD 4.09Å; L128-A278 HydrophobicContact CB-CB 4.11Å; L128-V284 HydrophobicContact CD1-CB 3.88Å; L128-V284 HydrophobicContact CD1-CG1 3.43Å; L128-V284 VanDerWaalsContact CD1-CG1 3.43Å; L128-F299 HydrophobicContact CD1-CD1 4.38Å; L128-F299 HydrophobicContact CD1-CE1 4.07Å; L128-F299 HydrophobicContact CD2-CD1 3.78Å; L128-F299 HydrophobicContact CD2-CE1 3.62Å; L128-F299 HydrophobicContact CD2-CZ 4.29Å; L128-F299 HydrophobicContact CG-CD1 3.57Å; L128-F299 HydrophobicContact CG-CE1 3.65Å; L128-D300 PolarHBondContact N-OD2 3.47Å; L128-D300 PolarHBondContact O-N 3Å; L128-K301 PolarHBondContact O-N 2.9Å
129	V	97	Very high	93.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124	-176	-173.2	0	0	0	0	111.2	F123 D127 V284 I285 C286 K301	F123-V129 HydrophobicContact CB-CG2 4.34Å; F123-V129 HydrophobicContact CD1-CB 4.43Å; F123-V129 HydrophobicContact CD1-CG1 3.77Å; F123-V129 HydrophobicContact CD1-CG2 4.05Å; F123-V129 HydrophobicContact CE1-CG1 3.64Å; F123-V129 HydrophobicContact CG-CG1 4.46Å; F123-V129 HydrophobicContact CG-CG2 4.32Å; F123-V129 HydrophobicContact CZ-CG1 4.18Å; D127-V129 HydrophobicContact CB-CG2 4.31Å; V129-V284 PolarHBondContact N-O 3.35Å; V129-I285 HydrophobicContact CB-CG1 4.38Å; V129-C286 PolarHBondContact O-N 3.27Å; V129-K301 WeakPolarHBondContact CA-O 3.16Å; V129-K301 HydrophobicContact CG1-CB 4.36Å; V129-K301 HydrophobicContact CG2-CB 4.2Å
130	A	96.5	Very high	93	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.3	169.2	0	0	0	0	0	111.6	M132 C286 F299 K301 L302 Y303	A130-M132 HydrophobicContact CB-CG 4.47Å; A130-C286 CarbonylContact C-O 3.56Å; A130-C286 WeakPolarHBondContact CA-O 3.36Å; A130-F299 HydrophobicContact CB-CB 4.25Å; A130-F299 HydrophobicContact CB-CD1 3.52Å; A130-F299 HydrophobicContact CB-CD2 4.29Å; A130-F299 HydrophobicContact CB-CE1 4.08Å; A130-F299 HydrophobicContact CB-CG 3.71Å; A130-K301 PolarHBondContact N-O 2.91Å; A130-L302 HydrophobicContact CB-CD1 4.02Å; A130-L302 WeakPolarHBondContact O-CA 3.18Å; A130-Y303 PolarHBondContact O-N 3.15Å
131	I	96.8	Very high	93	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117	166.4	-58.4	176.7	0	0	0	108.2	F123 K139 L142 M143 I285 C286 T287 I288 Y303 L305	F123-I131 HydrophobicContact CE2-CD1 4.45Å; F123-I131 HydrophobicContact CZ-CD1 4.43Å; I131-K139 HydrophobicContact CG2-CB 4.17Å; I131-K139 HydrophobicContact CG2-CG 4.24Å; I131-L142 HydrophobicContact CD1-CD2 4.29Å; I131-M143 HydrophobicContact CD1-CE 4.47Å; I131-I285 HydrophobicContact CD1-CG2 3.63Å; I131-I285 HydrophobicContact CG1-CG2 4.13Å; I131-C286 PolarHBondContact N-O 3.21Å; I131-T287 HydrophobicContact CB-CG2 4.22Å; I131-T287 HydrophobicContact CG2-CG2 4.42Å; I131-T287 WeakPolarHBondContact O-CA 3.4Å; I131-I288 PolarHBondContact O-N 3.03Å; I131-I288 VanDerWaalsContact O-N 3.08Å; I131-Y303 VanDerWaalsContact CA-O 3.31Å; I131-Y303 WeakPolarHBondContact CA-O 3.42Å; I131-L305 HydrophobicContact CG2-CD1 4.21Å
132	M	95.3	Very high	93	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	166.1	-177.6	-69.6	-172.8	62.9	0	0	111.6	A130 P291 F296 L302 Y303 V304 L305 A337 M341	A130-M132 HydrophobicContact CB-CG 4.47Å; M132-P291 HydrophobicContact CE-CG 4.19Å; M132-P291 HydrophobicContact SD-CG 4.25Å; M132-F296 HydrophobicContact SD-CD2 4.21Å; M132-F296 HydrophobicContact SD-CE2 3.93Å; M132-L302 HydrophobicContact CB-CD1 4.01Å; M132-L302 HydrophobicContact CG-CD1 3.71Å; M132-L302 HydrophobicContact SD-CD1 3.55Å; M132-L302 VanDerWaalsContact SD-CD1 3.55Å; M132-Y303 PolarHBondContact N-O 3.13Å; M132-V304 WeakPolarHBondContact O-CA 3.03Å; M132-L305 PolarHBondContact O-N 3.39Å; M132-A337 HydrophobicContact CE-CB 4.09Å; M132-M341 HydrophobicContact CB-SD 4.41Å; M132-M341 HydrophobicContact CE-CG 3.92Å; M132-M341 HydrophobicContact CE-SD 4.1Å
133	G	93.9	Very high	93.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	15%	0.148	C	C	.	.			trans	148.2	158.2	-179	0	0	0	0	0	112.4	K139 L305 M341	G133-K139 WeakPolarHBondContact O-CD 3.35Å; G133-K139 WeakPolarHBondContact O-CE 3.44Å; G133-K139 PolarHBondContact O-NZ 3.19Å; G133-L305 WeakPolarHBondContact CA-O 3.3Å; G133-M341 VanDerWaalsContact CA-SD 3.58Å; G133-M341 PolarHBondContact N-SD 2.81Å; G133-M341 VanDerWaalsContact N-SD 3.42Å; G133-M341 WeakPolarHBondContact O-CE 3.41Å
134	P	92.2	Very high	92.9	Very high	23 Å²	23	20.6 Å²	20.6	15%	0.149	15%	0.153	C	C	.	.	S	Bend	trans	-61.4	167	-179.7	22.6	-31.3	0	0	0	112.7	G136 A137 K139 L305 M341 A344	P134-G136 PolarHBondContact O-N 2.99Å; P134-A137 HydrophobicContact CG-CB 4.16Å; P134-A137 WeakPolarHBondContact O-CB 3.47Å; P134-A137 PolarHBondContact O-N 2.92Å; P134-A137 VanDerWaalsContact O-N 3.08Å; P134-K139 PolarHBondContact O-NZ 3.48Å; P134-L305 WeakPolarHBondContact CD-O 3.28Å; P134-M341 HydrophobicContact CB-CE 4.48Å; P134-A344 HydrophobicContact CG-CB 4.33Å
135	S	90.8	Very high	92.9	Very high	100 Å²	100	19.1 Å²	19.1	70%	0.699	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	132.5	174.2	-70.8	0	0	0	0	110.7	A137	S135-A137 VanDerWaalsContact C-N 3.31Å; S135-A137 PolarHBondContact O-N 3.31Å
136	G	87.7	Confident	93	Very high	81 Å²	81	17.8 Å²	17.8	84%	0.835	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	1.9	-175.5	0	0	0	0	0	115.9	P134 G138	P134-G136 PolarHBondContact O-N 2.99Å; G136-G138 PolarHBondContact O-N 3.04Å; G136-G138 VanDerWaalsContact O-N 3.16Å
137	A	91.3	Very high	93	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.017	12%	0.123	C	C	.	.	S	Bend	trans	-66.4	-13.3	178.9	0	0	0	0	0	115.3	P134 S135 L305 G308	P134-A137 HydrophobicContact CG-CB 4.16Å; P134-A137 WeakPolarHBondContact O-CB 3.47Å; P134-A137 PolarHBondContact O-N 2.92Å; P134-A137 VanDerWaalsContact O-N 3.08Å; S135-A137 VanDerWaalsContact C-N 3.31Å; S135-A137 PolarHBondContact O-N 3.31Å; A137-L305 HydrophobicContact CB-CB 4.17Å; A137-L305 WeakPolarHBondContact CB-O 3.19Å; A137-G308 WeakPolarHBondContact O-CA 3.4Å; A137-G308 PolarHBondContact O-N 3.1Å; A137-G308 VanDerWaalsContact O-N 3.15Å
138	G	91.8	Very high	92.7	Very high	8 Å²	8	15 Å²	15	8%	0.082	12%	0.115	C	C	.	.	S	Bend	trans	101.9	13.6	-179.3	0	0	0	0	0	115.5	G136 T141 L142	G136-G138 PolarHBondContact O-N 3.04Å; G136-G138 VanDerWaalsContact O-N 3.16Å; G138-T141 WeakPolarHBondContact O-CB 3.34Å; G138-T141 PolarHBondContact O-N 3.43Å; G138-L142 WeakPolarHBondContact O-CB 3.49Å; G138-L142 PolarHBondContact O-N 3.32Å
139	K	92.9	Very high	92.1	Very high	12 Å²	12	15.7 Å²	15.7	5%	0.052	12%	0.117	C	C	.	.	H	α-helix	trans	-54.5	-61.5	-179.1	-56	-175.5	-64.9	-78.4	0	113.4	I131 G133 P134 T141 L142 M143 T287	I131-K139 HydrophobicContact CG2-CB 4.17Å; I131-K139 HydrophobicContact CG2-CG 4.24Å; G133-K139 WeakPolarHBondContact O-CD 3.35Å; G133-K139 WeakPolarHBondContact O-CE 3.44Å; G133-K139 PolarHBondContact O-NZ 3.19Å; P134-K139 PolarHBondContact O-NZ 3.48Å; K139-T141 VanDerWaalsContact C-N 3.25Å; K139-T141 PolarHBondContact O-N 3.14Å; K139-L142 PolarHBondContact O-N 3.21Å; K139-M143 PolarHBondContact O-N 2.76Å; K139-T287 HydrophobicContact CB-CG2 3.88Å
140	S	90.9	Very high	91.5	Very high	40 Å²	40	19.8 Å²	19.8	28%	0.28	13%	0.133	S	C	.	.	H	α-helix	trans	-66.1	-30.6	179.5	-45.8	0	0	0	0	111.5	M143 N144 D256	S140-M143 PolarHBondContact O-N 2.95Å; S140-N144 VanDerWaalsContact O-CB 3.3Å; S140-N144 WeakPolarHBondContact O-CB 3.27Å; S140-N144 PolarHBondContact O-N 2.78Å; S140-N144 PolarHBondContact O-ND2 2.85Å; S140-N144 VanDerWaalsContact O-ND2 3.08Å; S140-D256 PolarHBondContact OG-OD1 3.46Å; S140-D256 PolarHBondContact OG-OD2 3.05Å
141	T	92.2	Very high	90.5	Very high	22 Å²	22	25.2 Å²	25.2	14%	0.135	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-48.6	173	-52.1	0	0	0	0	111.5	Y99 L115 L116 G138 K139 N144 I145	Y99-T141 HydrophobicContact CD1-CG2 3.49Å; Y99-T141 VanDerWaalsContact CD1-CG2 3.49Å; Y99-T141 HydrophobicContact CE1-CG2 3.85Å; Y99-T141 HydrophobicContact CG-CG2 4.32Å; L115-T141 HydrophobicContact CB-CG2 4.38Å; L115-T141 HydrophobicContact CD1-CG2 4.18Å; L116-T141 HydrophobicContact CD1-CG2 4.04Å; L116-T141 HydrophobicContact CG-CG2 4.28Å; G138-T141 WeakPolarHBondContact O-CB 3.34Å; G138-T141 PolarHBondContact O-N 3.43Å; K139-T141 VanDerWaalsContact C-N 3.25Å; K139-T141 PolarHBondContact O-N 3.14Å; T141-N144 PolarHBondContact O-N 2.99Å; T141-I145 HydrophobicContact CG2-CD1 4.03Å; T141-I145 WeakPolarHBondContact O-CD1 3.39Å; T141-I145 VanDerWaalsContact O-CG1 3.31Å; T141-I145 WeakPolarHBondContact O-CG1 3.34Å; T141-I145 PolarHBondContact O-N 2.88Å
142	L	94.4	Very high	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-47.7	175.2	173	56.1	0	0	0	110.5	F94 L116 I119 I131 G138 K139 N144 I145 L146 Y303 L305	F94-L142 HydrophobicContact CE2-CD1 4.45Å; L116-L142 HydrophobicContact CD1-CB 4.25Å; L116-L142 HydrophobicContact CD2-CB 4.48Å; I119-L142 HydrophobicContact CD1-CB 4.44Å; I119-L142 HydrophobicContact CD1-CD1 3.55Å; I119-L142 HydrophobicContact CD1-CD2 3.83Å; I119-L142 HydrophobicContact CD1-CG 4.13Å; I131-L142 HydrophobicContact CD1-CD2 4.29Å; G138-L142 WeakPolarHBondContact O-CB 3.49Å; G138-L142 PolarHBondContact O-N 3.32Å; K139-L142 PolarHBondContact O-N 3.21Å; L142-N144 PolarHBondContact O-N 2.87Å; L142-I145 PolarHBondContact O-N 2.59Å; L142-L146 HydrophobicContact CD1-CD1 3.78Å; L142-L146 HydrophobicContact CD1-CD2 4.33Å; L142-L146 HydrophobicContact CD1-CG 3.82Å; L142-L146 HydrophobicContact CG-CD1 3.94Å; L142-L146 HydrophobicContact CG-CG 4.38Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 2.86Å; L142-Y303 HydrophobicContact CD2-CD1 4.16Å; L142-Y303 HydrophobicContact CD2-CE1 3.83Å; L142-L305 HydrophobicContact CB-CD1 4.21Å; L142-L305 HydrophobicContact CD2-CD1 3.83Å
143	M	93.2	Very high	88.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-44	-179.5	-165.3	-179.7	-93.4	0	0	112.4	I131 K139 S140 I145 L146 A147 Y176 F254 F255 D256 I285 T287	I131-M143 HydrophobicContact CD1-CE 4.47Å; K139-M143 PolarHBondContact O-N 2.76Å; S140-M143 PolarHBondContact O-N 2.95Å; M143-I145 VanDerWaalsContact C-N 3.33Å; M143-I145 PolarHBondContact O-N 2.75Å; M143-L146 PolarHBondContact O-N 3.22Å; M143-A147 WeakPolarHBondContact O-CB 3.4Å; M143-A147 PolarHBondContact O-N 2.72Å; M143-Y176 HydrophobicContact CB-CE2 4.42Å; M143-Y176 HydrophobicContact CG-CD2 4.46Å; M143-Y176 HydrophobicContact CG-CE2 3.69Å; M143-Y176 HydrophobicContact SD-CE2 3.85Å; M143-F254 HydrophobicContact CG-CB 4.17Å; M143-F254 HydrophobicContact CG-CD1 3.91Å; M143-F254 HydrophobicContact CG-CG 4.4Å; M143-F254 HydrophobicContact SD-CB 4.2Å; M143-F255 VanDerWaalsContact CE-O 3.31Å; M143-F255 WeakPolarHBondContact CE-O 3.46Å; M143-D256 HydrophobicContact SD-CB 4.09Å; M143-I285 HydrophobicContact CE-CG2 4.12Å; M143-T287 HydrophobicContact CB-CG2 4.5Å; M143-T287 HydrophobicContact CE-CG2 3.58Å; M143-T287 VanDerWaalsContact CE-N 3.33Å; M143-T287 HydrophobicContact SD-CG2 4.15Å
144	N	91	Very high	88.6	Confident	25 Å²	25	34.3 Å²	34.3	13%	0.134	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-37.8	176.6	-75.8	-32.3	0	0	0	112.5	S140 T141 L142 G148 Y149 R150 Y176	S140-N144 VanDerWaalsContact O-CB 3.3Å; S140-N144 WeakPolarHBondContact O-CB 3.27Å; S140-N144 PolarHBondContact O-N 2.78Å; S140-N144 PolarHBondContact O-ND2 2.85Å; S140-N144 VanDerWaalsContact O-ND2 3.08Å; T141-N144 PolarHBondContact O-N 2.99Å; L142-N144 PolarHBondContact O-N 2.87Å; N144-G148 PolarHBondContact O-N 2.78Å; N144-G148 VanDerWaalsContact O-N 3.13Å; N144-Y149 PolarHBondContact O-N 3.37Å; N144-R150 HydrophobicContact CB-CG 4.15Å; N144-R150 PolarHBondContact O-N 2.82Å; N144-Y176 WeakPolarHBondContact OD1-CE2 3.43Å; N144-Y176 PolarHBondContact OD1-OH 3.28Å; N144-Y176 VanDerWaalsContact OD1-OH 3.11Å
145	I	92.4	Very high	88.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-45.3	175.7	-72.5	164.9	0	0	0	110.6	V97 Y99 L116 T141 L142 M143 G148 R150 M154 I158 R165	V97-I145 HydrophobicContact CG1-CG2 4.14Å; Y99-I145 HydrophobicContact CD1-CD1 4.22Å; Y99-I145 HydrophobicContact CD2-CD1 3.87Å; Y99-I145 HydrophobicContact CG-CD1 3.66Å; L116-I145 HydrophobicContact CD1-CD1 3.55Å; T141-I145 HydrophobicContact CG2-CD1 4.03Å; T141-I145 WeakPolarHBondContact O-CD1 3.39Å; T141-I145 VanDerWaalsContact O-CG1 3.31Å; T141-I145 WeakPolarHBondContact O-CG1 3.34Å; T141-I145 PolarHBondContact O-N 2.88Å; L142-I145 PolarHBondContact O-N 2.59Å; M143-I145 VanDerWaalsContact C-N 3.33Å; M143-I145 PolarHBondContact O-N 2.75Å; I145-G148 PolarHBondContact O-N 3.15Å; I145-G148 VanDerWaalsContact O-N 3.1Å; I145-R150 HydrophobicContact CG1-CB 4.11Å; I145-M154 HydrophobicContact CG2-CE 4.4Å; I145-M154 HydrophobicContact CG2-CG 3.96Å; I145-I158 HydrophobicContact CG2-CD1 3.78Å; I145-R165 PolarHBondContact O-NH1 3.41Å; I145-R165 PolarHBondContact O-NH2 3.41Å
146	L	93.1	Very high	88.6	Confident	1 Å²	1	38 Å²	38	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-38.2	179.3	-67.4	175.2	0	0	0	112.7	I92 F94 F123 L142 M143 G148 I158 R165 F170 F254	I92-L146 HydrophobicContact CG2-CD2 4.2Å; F94-L146 HydrophobicContact CB-CD2 4.01Å; F94-L146 HydrophobicContact CD1-CD1 4.43Å; F94-L146 HydrophobicContact CD1-CD2 3.67Å; F94-L146 HydrophobicContact CE1-CD1 4.32Å; F94-L146 HydrophobicContact CE1-CD2 4.35Å; F94-L146 HydrophobicContact CG-CD2 3.94Å; F123-L146 HydrophobicContact CD2-CD1 4.24Å; F123-L146 HydrophobicContact CE2-CD1 3.6Å; L142-L146 HydrophobicContact CD1-CD1 3.78Å; L142-L146 HydrophobicContact CD1-CD2 4.33Å; L142-L146 HydrophobicContact CD1-CG 3.82Å; L142-L146 HydrophobicContact CG-CD1 3.94Å; L142-L146 HydrophobicContact CG-CG 4.38Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 2.86Å; M143-L146 PolarHBondContact O-N 3.22Å; L146-G148 PolarHBondContact O-N 2.62Å; L146-I158 HydrophobicContact CD2-CD1 4.36Å; L146-R165 PolarHBondContact O-NH1 2.97Å; L146-F170 WeakPolarHBondContact O-CE1 3.16Å; L146-F254 HydrophobicContact CB-CE1 3.74Å; L146-F254 HydrophobicContact CB-CZ 4.01Å
147	A	90	Very high	88.8	Confident	1 Å²	1	40 Å²	40	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-72	-13.4	173.9	0	0	0	0	0	113.4	M143 Y149 Y176 F254	M143-A147 WeakPolarHBondContact O-CB 3.4Å; M143-A147 PolarHBondContact O-N 2.72Å; A147-Y149 HydrophobicContact CB-CD1 4.26Å; A147-Y176 HydrophobicContact CB-CD2 3.52Å; A147-Y176 HydrophobicContact CB-CE2 4.16Å; A147-Y176 HydrophobicContact CB-CG 4.46Å; A147-F254 HydrophobicContact CB-CD2 3.8Å; A147-F254 HydrophobicContact CB-CE2 3.89Å; A147-F254 HydrophobicContact CB-CG 4.17Å; A147-F254 HydrophobicContact CB-CZ 4.33Å
148	G	87.6	Confident	88.9	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	25.6	-178.5	0	0	0	0	0	113.1	N144 I145 L146 R171	N144-G148 PolarHBondContact O-N 2.78Å; N144-G148 VanDerWaalsContact O-N 3.13Å; I145-G148 PolarHBondContact O-N 3.15Å; I145-G148 VanDerWaalsContact O-N 3.1Å; L146-G148 PolarHBondContact O-N 2.62Å; G148-R171 PolarHBondContact O-NH2 3.48Å
149	Y	84.1	Confident	89	Confident	14 Å²	14	40.8 Å²	40.8	6%	0.055	22%	0.223	C	C	.	.	S	Bend	trans	-85.4	-16	171.1	-78.9	24.4	0	0	0	111.4	N144 A147 Y176 L488 N489 R677	N144-Y149 PolarHBondContact O-N 3.37Å; A147-Y149 HydrophobicContact CB-CD1 4.26Å; Y149-Y176 HydrophobicContact CD2-CG 4.41Å; Y149-Y176 AromaticContact CE2-CD1 3.9Å; Y149-Y176 HydrophobicContact CE2-CD1 3.9Å; Y149-Y176 HydrophobicContact CE2-CD2 4.47Å; Y149-Y176 AromaticContact CE2-CG 3.87Å; Y149-Y176 HydrophobicContact CE2-CG 3.87Å; Y149-Y176 WeakPolarHBondContact OH-CB 3.39Å; Y149-L488 HydrophobicContact CD2-CD1 4.07Å; Y149-L488 HydrophobicContact CE1-CB 3.91Å; Y149-L488 HydrophobicContact CE2-CB 4.17Å; Y149-L488 HydrophobicContact CE2-CD1 3.77Å; Y149-L488 VanDerWaalsContact OH-CB 3.28Å; Y149-L488 WeakPolarHBondContact OH-CB 3.34Å; Y149-N489 PolarHBondContact OH-OD1 3Å; Y149-R677 VanDerWaalsContact O-CA 3.3Å; Y149-R677 WeakPolarHBondContact O-CA 3.08Å
150	R	83	Confident	88.9	Confident	86 Å²	86	41.1 Å²	41.1	33%	0.325	23%	0.225	S	C	.	.			trans	-132.4	126	171.5	-70.2	-173.1	179.1	-163.3	1.7	110.9	N144 I145 R677	N144-R150 HydrophobicContact CB-CG 4.15Å; N144-R150 PolarHBondContact O-N 2.82Å; I145-R150 HydrophobicContact CG1-CB 4.11Å; R150-R677 WeakPolarHBondContact CA-O 2.96Å
151	E	76.8	Confident	88.8	Confident	114 Å²	114	42.2 Å²	42.2	53%	0.533	23%	0.228	S	C	.	.			trans	-124.5	-41.1	177.6	-171.5	175.6	-165.1	0	0	112.4	G153 M154 L167 R677	E151-G153 PolarHBondContact O-N 2.79Å; E151-M154 WeakPolarHBondContact O-CB 3.47Å; E151-M154 PolarHBondContact O-N 3.48Å; E151-M154 VanDerWaalsContact O-N 3.12Å; E151-L167 HydrophobicContact CG-CD1 4.45Å; E151-L167 WeakPolarHBondContact OE2-CD1 3.48Å; E151-R677 PolarHBondContact N-O 3.01Å; E151-R677 VanDerWaalsContact N-O 3.15Å
152	T	79.1	Confident	88.5	Confident	100 Å²	100	43 Å²	43	61%	0.613	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	119.2	-173.7	59.1	0	0	0	0	111.6	Y99	Y99-T152 VanDerWaalsContact CE2-O 3.28Å; Y99-T152 WeakPolarHBondContact CE2-O 3.47Å
153	G	78.8	Confident	88.2	Confident	48 Å²	48	48.7 Å²	48.7	50%	0.495	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	5.5	179.8	0	0	0	0	0	114.8	E151	E151-G153 PolarHBondContact O-N 2.79Å
154	M	88.3	Confident	88	Confident	42 Å²	42	53.3 Å²	53.3	21%	0.207	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.3	169.9	-170	-90.9	-83.3	0	0	111	V97 S98 Y99 I145 E151 I158	V97-M154 HydrophobicContact CG1-CG 4.06Å; V97-M154 HydrophobicContact CG1-SD 4.35Å; S98-M154 CarbonylContact O-C 3.59Å; S98-M154 WeakPolarHBondContact O-CA 3.38Å; Y99-M154 HydrophobicContact CD2-CB 4.2Å; I145-M154 HydrophobicContact CG2-CE 4.4Å; I145-M154 HydrophobicContact CG2-CG 3.96Å; E151-M154 WeakPolarHBondContact O-CB 3.47Å; E151-M154 PolarHBondContact O-N 3.48Å; E151-M154 VanDerWaalsContact O-N 3.12Å; M154-I158 HydrophobicContact CE-CD1 3.7Å; M154-I158 HydrophobicContact CE-CG1 4.16Å
155	K	91.3	Very high	88	Confident	161 Å²	161	53.7 Å²	53.7	70%	0.7	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	156	169.2	-61.3	-176.8	178.9	-176.3	0	108.8	V97 S98	V97-K155 CarbonylContact C-O 3.6Å; V97-K155 VanDerWaalsContact CA-O 3.26Å; V97-K155 WeakPolarHBondContact CA-O 3.27Å; S98-K155 PolarHBondContact N-O 2.87Å; S98-K155 PolarHBondContact O-N 3.3Å
156	G	91	Very high	87.8	Confident	41 Å²	41	57.5 Å²	57.5	42%	0.423	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	101	-172.8	-174.7	0	0	0	0	0	111.4	K95	K95-G156 WeakPolarHBondContact O-CA 3.4Å
157	E	92.4	Very high	87.3	Confident	123 Å²	123	58.4 Å²	58.4	58%	0.575	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.6	-173.7	-64.8	-177.4	174.9	0	0	111.4	F94 K95	F94-E157 CarbonylContact C-O 3.45Å; F94-E157 WeakPolarHBondContact CA-O 3.43Å; K95-E157 PolarHBondContact N-O 3.17Å; K95-E157 PolarHBondContact O-N 3.28Å
158	I	93.8	Very high	86.8	Confident	9 Å²	9	66.1 Å²	66.1	5%	0.046	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.6	171.4	-59.6	171.9	0	0	0	107.2	I92 E93 F94 V97 I145 L146 M154 R165	I92-I158 HydrophobicContact CG2-CG2 4.4Å; E93-I158 CarbonylContact O-C 3.57Å; E93-I158 WeakPolarHBondContact O-CA 3.44Å; F94-I158 HydrophobicContact CB-CG1 4.19Å; V97-I158 HydrophobicContact CG2-CG1 4.24Å; I145-I158 HydrophobicContact CG2-CD1 3.78Å; L146-I158 HydrophobicContact CD2-CD1 4.36Å; M154-I158 HydrophobicContact CE-CD1 3.7Å; M154-I158 HydrophobicContact CE-CG1 4.16Å; I158-R165 HydrophobicContact CB-CB 4.34Å; I158-R165 HydrophobicContact CG2-CB 4.19Å; I158-R165 VanDerWaalsContact O-CB 3.31Å; I158-R165 WeakPolarHBondContact O-CB 3.19Å; I158-R165 PolarHBondContact O-N 3.23Å
159	L	92.4	Very high	86.6	Confident	16 Å²	16	67.7 Å²	67.7	8%	0.084	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.6	-176.8	-57.1	166.1	0	0	0	109.3	E93 K95 Q163 P164	E93-L159 HydrophobicContact CB-CB 4.22Å; E93-L159 HydrophobicContact CG-CD1 4.49Å; E93-L159 PolarHBondContact N-O 2.96Å; E93-L159 PolarHBondContact O-N 3.39Å; K95-L159 HydrophobicContact CD-CD1 4.1Å; L159-Q163 CarbonylContact C-O 3.57Å; L159-Q163 WeakPolarHBondContact CA-O 3.45Å; L159-P164 HydrophobicContact CD2-CG 4.46Å
160	I	91.9	Very high	86.8	Confident	20 Å²	20	67.3 Å²	67.3	10%	0.103	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.8	171.9	-54	-57.1	0	0	0	107.1	V90 N91 I92 G162 Q163 R165 F170	V90-I160 HydrophobicContact CG1-CG2 3.59Å; N91-I160 WeakPolarHBondContact O-CA 3.34Å; I92-I160 HydrophobicContact CB-CD1 4.48Å; I92-I160 HydrophobicContact CG1-CD1 3.96Å; I92-I160 HydrophobicContact CG2-CD1 4.31Å; I160-G162 PolarHBondContact O-N 2.95Å; I160-Q163 PolarHBondContact N-O 3.14Å; I160-Q163 PolarHBondContact O-N 3.42Å; I160-R165 HydrophobicContact CD1-CB 4.45Å; I160-R165 HydrophobicContact CD1-CG 4.22Å; I160-R165 HydrophobicContact CG1-CB 3.84Å; I160-R165 HydrophobicContact CG1-CG 3.78Å; I160-F170 HydrophobicContact CD1-CD2 3.58Å; I160-F170 HydrophobicContact CD1-CE2 3.4Å; I160-F170 HydrophobicContact CD1-CG 4.44Å; I160-F170 HydrophobicContact CD1-CZ 4.13Å; I160-F170 HydrophobicContact CG1-CD2 3.78Å; I160-F170 HydrophobicContact CG1-CE2 4.13Å; I160-F170 HydrophobicContact CG2-CD2 4.43Å
161	N	88.3	Confident	86.7	Confident	62 Å²	62	64.2 Å²	64.2	33%	0.332	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.1	-174	-69.4	-20.4	0	0	0	113.2	A89 N91 Q163 L378	A89-N161 PolarHBondContact O-ND2 2.59Å; N91-N161 WeakPolarHBondContact CB-OD1 3.44Å; N91-N161 PolarHBondContact N-OD1 3.21Å; N91-N161 PolarHBondContact O-N 2.89Å; N161-Q163 VanDerWaalsContact C-N 3.32Å; N161-Q163 PolarHBondContact O-N 2.71Å; N161-L378 WeakPolarHBondContact O-CD2 3.41Å
162	G	85.1	Confident	87	Confident	40 Å²	40	63.7 Å²	63.7	41%	0.412	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-4.4	179.2	0	0	0	0	0	115.7	I160	I160-G162 PolarHBondContact O-N 2.95Å
163	Q	87.9	Confident	87.3	Confident	118 Å²	118	60.7 Å²	60.7	55%	0.551	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	146.4	177.7	-65.7	-63.9	-26.4	0	0	111.7	L159 I160 N161 R165	L159-Q163 CarbonylContact C-O 3.57Å; L159-Q163 WeakPolarHBondContact CA-O 3.45Å; I160-Q163 PolarHBondContact N-O 3.14Å; I160-Q163 PolarHBondContact O-N 3.42Å; N161-Q163 VanDerWaalsContact C-N 3.32Å; N161-Q163 PolarHBondContact O-N 2.71Å; Q163-R165 PolarHBondContact O-N 2.98Å
164	P	90.8	Very high	87.8	Confident	97 Å²	97	59 Å²	59	63%	0.63	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.9	134.2	174.3	-25.6	34.3	0	0	0	112.2	L159 D166	L159-P164 HydrophobicContact CD2-CG 4.46Å; P164-D166 PolarHBondContact O-N 3.37Å; P164-D166 VanDerWaalsContact O-N 3.11Å
165	R	90.5	Very high	88	Confident	33 Å²	33	57.2 Å²	57.2	13%	0.125	30%	0.298	C	S	.	.			trans	-66.9	110.2	-177.1	-176.8	-176.9	67.9	174.1	-0.6	111.6	I145 L146 I158 I160 Q163 L167 F170	I145-R165 PolarHBondContact O-NH1 3.41Å; I145-R165 PolarHBondContact O-NH2 3.41Å; L146-R165 PolarHBondContact O-NH1 2.97Å; I158-R165 HydrophobicContact CB-CB 4.34Å; I158-R165 HydrophobicContact CG2-CB 4.19Å; I158-R165 VanDerWaalsContact O-CB 3.31Å; I158-R165 WeakPolarHBondContact O-CB 3.19Å; I158-R165 PolarHBondContact O-N 3.23Å; I160-R165 HydrophobicContact CD1-CB 4.45Å; I160-R165 HydrophobicContact CD1-CG 4.22Å; I160-R165 HydrophobicContact CG1-CB 3.84Å; I160-R165 HydrophobicContact CG1-CG 3.78Å; Q163-R165 PolarHBondContact O-N 2.98Å; R165-L167 PolarHBondContact O-N 3.32Å; R165-F170 HydrophobicContact CG-CB 3.95Å; R165-F170 HydrophobicContact CG-CD1 4.37Å; R165-F170 HydrophobicContact CG-CG 4.04Å
166	D	87.4	Confident	88	Confident	81 Å²	81	49.8 Å²	49.8	43%	0.433	27%	0.266	S	S	.	.			trans	-77.8	113.9	158.2	171.4	29.7	0	0	0	110.2	P164 R168 S169 F170	P164-D166 PolarHBondContact O-N 3.37Å; P164-D166 VanDerWaalsContact O-N 3.11Å; D166-R168 VanDerWaalsContact C-N 3.27Å; D166-R168 PolarHBondContact O-N 2.99Å; D166-R168 PolarHBondContact OD1-N 3.34Å; D166-S169 PolarHBondContact O-N 2.93Å; D166-S169 WeakPolarHBondContact OD2-CB 3.21Å; D166-S169 PolarHBondContact OD2-N 3.44Å; D166-S169 PolarHBondContact OD2-OG 2.92Å; D166-F170 WeakPolarHBondContact O-CB 3.31Å; D166-F170 PolarHBondContact O-N 3.35Å
167	L	82.7	Confident	88.1	Confident	20 Å²	20	48.2 Å²	48.2	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-35	-180	-76.4	174.2	0	0	0	113.3	E151 R165 R171	E151-L167 HydrophobicContact CG-CD1 4.45Å; E151-L167 WeakPolarHBondContact OE2-CD1 3.48Å; R165-L167 PolarHBondContact O-N 3.32Å; L167-R171 WeakPolarHBondContact O-CB 2.87Å; L167-R171 VanDerWaalsContact O-CG 3.23Å; L167-R171 WeakPolarHBondContact O-CG 3.43Å; L167-R171 PolarHBondContact O-N 3.3Å; L167-R171 VanDerWaalsContact O-N 3.11Å
168	R	80.1	Confident	87.9	Confident	163 Å²	163	45.7 Å²	45.7	62%	0.615	24%	0.237	S	C	*	.	H	α-helix	trans	-69.2	-46.1	-177.1	-68.3	-178.7	179.9	-174.1	0.4	110.7	D166	D166-R168 VanDerWaalsContact C-N 3.27Å; D166-R168 PolarHBondContact O-N 2.99Å; D166-R168 PolarHBondContact OD1-N 3.34Å
169	S	82.9	Confident	87.6	Confident	34 Å²	34	48.7 Å²	48.7	24%	0.238	25%	0.25	C	S	.	.	H	α-helix	trans	-71.7	-41	177.4	-58.2	0	0	0	0	111.8	D166 R171 K172	D166-S169 PolarHBondContact O-N 2.93Å; D166-S169 WeakPolarHBondContact OD2-CB 3.21Å; D166-S169 PolarHBondContact OD2-N 3.44Å; D166-S169 PolarHBondContact OD2-OG 2.92Å; S169-R171 PolarHBondContact O-N 2.78Å; S169-K172 WeakPolarHBondContact O-CB 3.45Å; S169-K172 PolarHBondContact O-N 3.15Å; S169-K172 VanDerWaalsContact O-N 3.16Å
170	F	87.4	Confident	87.2	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.022	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-43.3	179.8	-177.4	-110	0	0	0	112.4	I92 L146 I160 R165 D166 K172 V173 S174 V252 F254	I92-F170 HydrophobicContact CD1-CE2 4.14Å; I92-F170 HydrophobicContact CD1-CZ 3.85Å; I92-F170 HydrophobicContact CG1-CE2 4.41Å; L146-F170 WeakPolarHBondContact O-CE1 3.16Å; I160-F170 HydrophobicContact CD1-CD2 3.58Å; I160-F170 HydrophobicContact CD1-CE2 3.4Å; I160-F170 HydrophobicContact CD1-CG 4.44Å; I160-F170 HydrophobicContact CD1-CZ 4.13Å; I160-F170 HydrophobicContact CG1-CD2 3.78Å; I160-F170 HydrophobicContact CG1-CE2 4.13Å; I160-F170 HydrophobicContact CG2-CD2 4.43Å; R165-F170 HydrophobicContact CG-CB 3.95Å; R165-F170 HydrophobicContact CG-CD1 4.37Å; R165-F170 HydrophobicContact CG-CG 4.04Å; D166-F170 WeakPolarHBondContact O-CB 3.31Å; D166-F170 PolarHBondContact O-N 3.35Å; F170-K172 PolarHBondContact O-N 2.99Å; F170-V173 HydrophobicContact CD2-CG2 4.26Å; F170-V173 CarbonylContact O-C 3.12Å; F170-V173 WeakPolarHBondContact O-CG2 3.48Å; F170-V173 PolarHBondContact O-N 3.33Å; F170-S174 WeakPolarHBondContact O-CB 3.45Å; F170-S174 PolarHBondContact O-N 3.49Å; F170-S174 PolarHBondContact O-OG 2.87Å; F170-V252 HydrophobicContact CE2-CG2 4.3Å; F170-V252 HydrophobicContact CZ-CG1 4.22Å; F170-F254 HydrophobicContact CE1-CE2 4.16Å; F170-F254 HydrophobicContact CE1-CZ 4.46Å; F170-F254 AromaticContact CZ-CE2 3.98Å; F170-F254 HydrophobicContact CZ-CE2 3.98Å; F170-F254 HydrophobicContact CZ-CZ 4.11Å
171	R	82.8	Confident	86.6	Confident	21 Å²	21	54.3 Å²	54.3	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-21.5	179.1	-71.9	-178	-170.6	149.2	-4.1	114.1	G148 L167 S169 V173 S174 Y490	G148-R171 PolarHBondContact O-NH2 3.48Å; L167-R171 WeakPolarHBondContact O-CB 2.87Å; L167-R171 VanDerWaalsContact O-CG 3.23Å; L167-R171 WeakPolarHBondContact O-CG 3.43Å; L167-R171 PolarHBondContact O-N 3.3Å; L167-R171 VanDerWaalsContact O-N 3.11Å; S169-R171 PolarHBondContact O-N 2.78Å; R171-V173 VanDerWaalsContact C-N 3.28Å; R171-S174 VanDerWaalsContact O-O 3.13Å; R171-Y490 HydrophobicContact CB-CD2 3.76Å; R171-Y490 HydrophobicContact CB-CE2 3.48Å; R171-Y490 VanDerWaalsContact CB-CE2 3.48Å; R171-Y490 HydrophobicContact CG-CE2 4.09Å
172	K	81.4	Confident	86.3	Confident	104 Å²	104	53.9 Å²	53.9	45%	0.452	28%	0.277	S	S	.	.	H	α-helix	trans	-73.3	-23.1	172.5	-65.2	177.8	179.2	178.6	0	112.4	S169 F170 N248	S169-K172 WeakPolarHBondContact O-CB 3.45Å; S169-K172 PolarHBondContact O-N 3.15Å; S169-K172 VanDerWaalsContact O-N 3.16Å; F170-K172 PolarHBondContact O-N 2.99Å; K172-N248 PolarHBondContact O-ND2 3.46Å
173	V	85.8	Confident	86.6	Confident	37 Å²	37	53 Å²	53	22%	0.224	26%	0.264	C	S	.	.	H	α-helix	trans	-112.5	1.2	-176.2	-58.8	0	0	0	0	113.3	F170 R171 P251 V252	F170-V173 HydrophobicContact CD2-CG2 4.26Å; F170-V173 CarbonylContact O-C 3.12Å; F170-V173 WeakPolarHBondContact O-CG2 3.48Å; F170-V173 PolarHBondContact O-N 3.33Å; R171-V173 VanDerWaalsContact C-N 3.28Å; V173-P251 HydrophobicContact CB-CG 3.82Å; V173-P251 WeakPolarHBondContact O-CD 3.26Å; V173-P251 VanDerWaalsContact O-CG 3.28Å; V173-P251 WeakPolarHBondContact O-CG 3.42Å; V173-V252 PolarHBondContact O-N 3.01Å
174	S	90.2	Very high	86.8	Confident	12 Å²	12	49 Å²	49	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.2	177.1	71.9	0	0	0	0	111.5	F170 R171 V252	F170-S174 WeakPolarHBondContact O-CB 3.45Å; F170-S174 PolarHBondContact O-N 3.49Å; F170-S174 PolarHBondContact O-OG 2.87Å; R171-S174 VanDerWaalsContact O-O 3.13Å; S174-V252 CarbonylContact C-O 3.57Å; S174-V252 VanDerWaalsContact CA-O 3.31Å; S174-V252 WeakPolarHBondContact CA-O 3.48Å
175	C	91.9	Very high	86.8	Confident	5 Å²	5	47 Å²	47	3%	0.034	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.8	167.1	69.2	0	0	0	0	111.5	E245 P250 V252 M253 F254	C175-E245 HydrophobicContact CB-CB 4.2Å; C175-E245 HydrophobicContact CB-CG 4.39Å; C175-P250 HydrophobicContact CB-CB 4.42Å; C175-P250 HydrophobicContact CB-CG 4.07Å; C175-P250 VanDerWaalsContact SG-CG 3.57Å; C175-V252 PolarHBondContact N-O 3.49Å; C175-M253 VanDerWaalsContact SG-CE 3.58Å; C175-F254 PolarHBondContact O-N 2.92Å
176	Y	92.3	Very high	86.9	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.4	173.5	-170.6	-77.8	0	0	0	110.5	M143 N144 A147 Y149 M178 F254 D256 N489	M143-Y176 HydrophobicContact CB-CE2 4.42Å; M143-Y176 HydrophobicContact CG-CD2 4.46Å; M143-Y176 HydrophobicContact CG-CE2 3.69Å; M143-Y176 HydrophobicContact SD-CE2 3.85Å; N144-Y176 WeakPolarHBondContact OD1-CE2 3.43Å; N144-Y176 PolarHBondContact OD1-OH 3.28Å; N144-Y176 VanDerWaalsContact OD1-OH 3.11Å; A147-Y176 HydrophobicContact CB-CD2 3.52Å; A147-Y176 HydrophobicContact CB-CE2 4.16Å; A147-Y176 HydrophobicContact CB-CG 4.46Å; Y149-Y176 HydrophobicContact CD2-CG 4.41Å; Y149-Y176 AromaticContact CE2-CD1 3.9Å; Y149-Y176 HydrophobicContact CE2-CD1 3.9Å; Y149-Y176 HydrophobicContact CE2-CD2 4.47Å; Y149-Y176 AromaticContact CE2-CG 3.87Å; Y149-Y176 HydrophobicContact CE2-CG 3.87Å; Y149-Y176 WeakPolarHBondContact OH-CB 3.39Å; Y176-M178 HydrophobicContact CD1-CG 3.81Å; Y176-M178 HydrophobicContact CE1-CB 4.29Å; Y176-M178 HydrophobicContact CE1-CG 3.78Å; Y176-F254 HydrophobicContact CD2-CB 3.67Å; Y176-F254 HydrophobicContact CD2-CG 4.3Å; Y176-F254 HydrophobicContact CE2-CB 4.27Å; Y176-F254 HydrophobicContact CG-CB 4.29Å; Y176-D256 HydrophobicContact CE1-CB 4.27Å; Y176-D256 WeakPolarHBondContact OH-CB 3.47Å; Y176-D256 PolarHBondContact OH-OD2 2.86Å; Y176-N489 PolarHBondContact N-OD1 3.24Å; Y176-N489 PolarHBondContact O-ND2 3.38Å; Y176-N489 PolarHBondContact O-OD1 2.94Å
177	I	92.1	Very high	87.3	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.046	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.7	177.5	-65.4	161	0	0	0	107.4	I242 E245 M253 F254 F255 D256	I177-I242 HydrophobicContact CD1-CG1 4.3Å; I177-E245 HydrophobicContact CD1-CB 4.37Å; I177-E245 HydrophobicContact CD1-CG 4.34Å; I177-E245 HydrophobicContact CG1-CG 4.06Å; I177-M253 HydrophobicContact CD1-CE 4.25Å; I177-F254 PolarHBondContact N-O 3.36Å; I177-F255 HydrophobicContact CB-CD1 3.95Å; I177-F255 HydrophobicContact CB-CE1 4.35Å; I177-F255 HydrophobicContact CD1-CD1 3.69Å; I177-F255 HydrophobicContact CD1-CE1 3.18Å; I177-F255 HydrophobicContact CD1-CZ 3.74Å; I177-F255 HydrophobicContact CG1-CD1 4.41Å; I177-F255 HydrophobicContact CG1-CE1 4.32Å; I177-F255 HydrophobicContact CG2-CD1 4.16Å; I177-D256 PolarHBondContact O-N 3.05Å
178	M	88.3	Confident	88	Confident	69 Å²	69	43.6 Å²	43.6	34%	0.34	22%	0.216	S	C	.	.			trans	-75.7	164.2	-176.5	-49.6	-175	93.3	0	0	111.5	Y176 R485	Y176-M178 HydrophobicContact CD1-CG 3.81Å; Y176-M178 HydrophobicContact CE1-CB 4.29Å; Y176-M178 HydrophobicContact CE1-CG 3.78Å; M178-R485 HydrophobicContact SD-CB 4.24Å; M178-R485 HydrophobicContact SD-CG 4.38Å
179	Q	88.1	Confident	88.8	Confident	72 Å²	72	35.9 Å²	35.9	34%	0.336	19%	0.187	S	C	.	.	S	Bend	trans	-58.1	-48.1	177.1	178.4	172	6.9	0	0	112.4	K238 D256 E257 S260	Q179-K238 PolarHBondContact O-NZ 3.17Å; Q179-D256 VanDerWaalsContact CA-O 3.24Å; Q179-D256 WeakPolarHBondContact CA-O 3.26Å; Q179-D256 PolarHBondContact N-O 3.24Å; Q179-E257 HydrophobicContact CG-CB 4.21Å; Q179-E257 PolarHBondContact NE2-OE2 2.9Å; Q179-S260 PolarHBondContact NE2-OG 3.39Å
180	D	83.6	Confident	89.4	Confident	115 Å²	115	37.9 Å²	37.9	62%	0.615	19%	0.193	S	C	*	.	S	Bend	trans	-80.7	131.5	177	-68.6	-33.8	0	0	0	111.5	M182	D180-M182 VanDerWaalsContact C-N 3.25Å; D180-M182 HydrophobicContact CB-CG 4.26Å; D180-M182 HydrophobicContact CB-SD 3.93Å; D180-M182 PolarHBondContact O-N 3.07Å
181	D	79.4	Confident	89.9	Confident	39 Å²	39	40 Å²	40	21%	0.209	20%	0.203	C	C	.	.			trans	-77	76.1	178	-61.2	-34.9	0	0	0	110.2	L183 R237 K238	D181-L183 VanDerWaalsContact C-N 3.29Å; D181-L183 PolarHBondContact O-N 3.25Å; D181-R237 HydrophobicContact CB-CB 4.3Å; D181-K238 WeakPolarHBondContact OD1-CD 3.49Å; D181-K238 VanDerWaalsContact OD1-CE 3.23Å; D181-K238 WeakPolarHBondContact OD1-CE 3.4Å; D181-K238 IonicContact OD1-NZ 3.75Å; D181-K238 PolarHBondContact OD1-NZ 3.36Å; D181-K238 PolarHBondContact OD2-N 2.96Å; D181-K238 IonicContact OD2-NZ 2.78Å
182	M	82.3	Confident	90.5	Very high	53 Å²	53	39.5 Å²	39.5	26%	0.261	20%	0.203	S	C	.	.			trans	-70.3	76.5	-177.1	-60	-57.2	-88.5	0	0	112	D180 V482 R485	D180-M182 VanDerWaalsContact C-N 3.25Å; D180-M182 HydrophobicContact CB-CG 4.26Å; D180-M182 HydrophobicContact CB-SD 3.93Å; D180-M182 PolarHBondContact O-N 3.07Å; M182-V482 HydrophobicContact CB-CG2 4.07Å; M182-R485 PolarHBondContact O-NH1 3.22Å; M182-R485 PolarHBondContact O-NH2 3.28Å
183	L	91.2	Very high	91.2	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.12	18%	0.182	C	C	.	.			trans	-107.5	148.6	-178.9	-60.6	174.1	0	0	0	111.6	D181 P185 R237 L240 L244	D181-L183 VanDerWaalsContact C-N 3.29Å; D181-L183 PolarHBondContact O-N 3.25Å; L183-P185 WeakPolarHBondContact O-CD 3.46Å; L183-R237 HydrophobicContact CD1-CB 4.17Å; L183-R237 HydrophobicContact CD1-CG 4.37Å; L183-L240 HydrophobicContact CD1-CB 4.47Å; L183-L240 HydrophobicContact CD1-CD2 4.07Å; L183-L240 HydrophobicContact CD1-CG 4.35Å; L183-L244 HydrophobicContact CD2-CD1 3.46Å; L183-L244 VanDerWaalsContact CD2-CD1 3.46Å
184	L	92.1	Very high	91.7	Very high	32 Å²	32	34.6 Å²	34.6	17%	0.168	18%	0.18	C	C	.	.			trans	-74.9	116.2	174	-67.2	174.1	0	0	0	109.9	H186 L187 T229 R410 V482	L184-H186 PolarHBondContact O-N 3.08Å; L184-L187 HydrophobicContact CB-CD1 3.97Å; L184-L187 HydrophobicContact CB-CG 4.16Å; L184-L187 HydrophobicContact CD1-CD1 3.71Å; L184-L187 HydrophobicContact CG-CD1 4.48Å; L184-T229 PolarHBondContact O-OG1 3.13Å; L184-R410 HydrophobicContact CD1-CG 4.13Å; L184-V482 HydrophobicContact CD2-CB 4.44Å; L184-V482 HydrophobicContact CD2-CG1 4.05Å; L184-V482 HydrophobicContact CD2-CG2 4.38Å; L184-V482 HydrophobicContact CG-CG1 4.07Å
185	P	91.1	Very high	92	Very high	56 Å²	56	34.9 Å²	34.9	36%	0.364	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-28	-166.2	23.2	-33	0	0	0	114.8	L183 T229 S230	L183-P185 WeakPolarHBondContact O-CD 3.46Å; P185-T229 VanDerWaalsContact C-OG1 3.24Å; P185-T229 WeakPolarHBondContact CA-OG1 3.43Å; P185-T229 PolarHBondContact O-OG1 2.96Å; P185-T229 VanDerWaalsContact O-OG1 3.14Å; P185-S230 WeakPolarHBondContact O-CB 3.13Å; P185-S230 PolarHBondContact O-N 3.36Å; P185-S230 PolarHBondContact O-OG 3.48Å
186	H	92.6	Very high	92.1	Very high	39 Å²	39	34.7 Å²	34.7	18%	0.181	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.7	-171.9	-56	-66.4	0	0	0	114.6	L184 R417 D418	L184-H186 PolarHBondContact O-N 3.08Å; H186-R417 HydrophobicContact CB-CB 4.08Å; H186-R417 PolarHBondContact O-NH1 3.29Å; H186-D418 IonicContact CE1-OD1 3.01Å; H186-D418 IonicContact NE2-OD2 3.37Å
187	L	95.2	Very high	92.2	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	18%	0.179	C	C	.	.	S	Bend	trans	-88.2	150.1	175.1	-60.3	-177.6	0	0	0	110.6	L184 E191 A192 R228 T229 R410 L413	L184-L187 HydrophobicContact CB-CD1 3.97Å; L184-L187 HydrophobicContact CB-CG 4.16Å; L184-L187 HydrophobicContact CD1-CD1 3.71Å; L184-L187 HydrophobicContact CG-CD1 4.48Å; L187-E191 HydrophobicContact CB-CB 4.39Å; L187-A192 HydrophobicContact CB-CB 4.49Å; L187-R228 WeakPolarHBondContact O-CA 3.07Å; L187-T229 WeakPolarHBondContact O-CG2 3.5Å; L187-T229 PolarHBondContact O-N 2.82Å; L187-T229 PolarHBondContact O-OG1 3.22Å; L187-R410 HydrophobicContact CD1-CG 3.84Å; L187-R410 HydrophobicContact CD2-CG 4.46Å; L187-L413 HydrophobicContact CD2-CD2 4.37Å
188	T	96.9	Very high	92.2	Very high	19 Å²	19	35.8 Å²	35.8	12%	0.117	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-77.9	161.6	166.4	68.7	0	0	0	0	111	Q190 E191 A192 K226 T227	T188-Q190 VanDerWaalsContact C-N 3.28Å; T188-Q190 PolarHBondContact O-N 2.88Å; T188-E191 PolarHBondContact N-OE2 2.77Å; T188-E191 PolarHBondContact O-N 3.05Å; T188-E191 WeakPolarHBondContact OG1-CB 3.37Å; T188-E191 VanDerWaalsContact OG1-CD 3.26Å; T188-E191 WeakPolarHBondContact OG1-CG 3.41Å; T188-E191 PolarHBondContact OG1-N 3.05Å; T188-E191 PolarHBondContact OG1-OE2 2.75Å; T188-A192 WeakPolarHBondContact O-CB 3.15Å; T188-A192 PolarHBondContact O-N 3.45Å; T188-K226 WeakPolarHBondContact CG2-O 3.44Å; T188-T227 CarbonylContact C-O 3.58Å; T188-T227 VanDerWaalsContact CA-O 3.24Å; T188-T227 WeakPolarHBondContact CA-O 3.34Å
189	V	97.2	Very high	92.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-52.3	-48	174.2	174.8	0	0	0	0	111.3	A192 M193 L216 C224 T227 L232 L240	V189-A192 PolarHBondContact O-N 3.06Å; V189-M193 WeakPolarHBondContact O-CB 3.38Å; V189-M193 VanDerWaalsContact O-CG 3.3Å; V189-M193 WeakPolarHBondContact O-CG 3.25Å; V189-M193 PolarHBondContact O-N 3.42Å; V189-L216 HydrophobicContact CG1-CD1 4.37Å; V189-L216 HydrophobicContact CG1-CD2 3.55Å; V189-C224 WeakPolarHBondContact CB-O 3.47Å; V189-C224 WeakPolarHBondContact CG2-O 3.12Å; V189-T227 PolarHBondContact N-O 3.31Å; V189-L232 HydrophobicContact CG2-CD1 3.81Å; V189-L232 HydrophobicContact CG2-CD2 3.93Å; V189-L232 HydrophobicContact CG2-CG 4.34Å; V189-L240 HydrophobicContact CB-CD2 4.44Å; V189-L240 HydrophobicContact CG1-CD1 3.85Å; V189-L240 HydrophobicContact CG1-CD2 4.37Å; V189-L240 HydrophobicContact CG2-CD2 3.97Å
190	Q	96.6	Very high	92.5	Very high	77 Å²	77	29.9 Å²	29.9	36%	0.36	16%	0.157	S	C	.	.	H	α-helix	trans	-64.3	-41.6	179.2	-173.6	172.3	25.6	0	0	112.1	T188 M193 M194 A225	T188-Q190 VanDerWaalsContact C-N 3.28Å; T188-Q190 PolarHBondContact O-N 2.88Å; Q190-M193 PolarHBondContact O-N 3.17Å; Q190-M194 WeakPolarHBondContact O-CB 3.37Å; Q190-M194 VanDerWaalsContact O-CG 3.28Å; Q190-M194 WeakPolarHBondContact O-CG 3.45Å; Q190-M194 PolarHBondContact O-N 3.41Å; Q190-A225 HydrophobicContact CB-CB 4.36Å; Q190-A225 WeakPolarHBondContact CB-O 3.31Å; Q190-A225 PolarHBondContact N-O 2.62Å
191	E	96.6	Very high	92.7	Very high	49 Å²	49	25.1 Å²	25.1	23%	0.229	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-43.7	177.6	-73.6	165.4	175.8	0	0	112.1	L187 T188 M193 M194 V195 R417	L187-E191 HydrophobicContact CB-CB 4.39Å; T188-E191 PolarHBondContact N-OE2 2.77Å; T188-E191 PolarHBondContact O-N 3.05Å; T188-E191 WeakPolarHBondContact OG1-CB 3.37Å; T188-E191 VanDerWaalsContact OG1-CD 3.26Å; T188-E191 WeakPolarHBondContact OG1-CG 3.41Å; T188-E191 PolarHBondContact OG1-N 3.05Å; T188-E191 PolarHBondContact OG1-OE2 2.75Å; E191-M193 VanDerWaalsContact C-N 3.33Å; E191-M193 PolarHBondContact O-N 3.11Å; E191-M194 PolarHBondContact O-N 3.11Å; E191-V195 WeakPolarHBondContact O-CG2 3.28Å; E191-V195 PolarHBondContact O-N 2.85Å; E191-R417 IonicContact OE1-CZ 2.65Å; E191-R417 VanDerWaalsContact OE1-CZ 3.25Å; E191-R417 IonicContact OE1-NH1 3.69Å; E191-R417 PolarHBondContact OE1-NH1 3.39Å; E191-R417 IonicContact OE1-NH2 3.66Å; E191-R417 PolarHBondContact OE1-NH2 2.93Å; E191-R417 IonicContact OE2-CZ 3.23Å; E191-R417 IonicContact OE2-NH1 3.99Å; E191-R417 PolarHBondContact OE2-NH1 2.88Å; E191-R417 IonicContact OE2-NH2 3.1Å
192	A	96.4	Very high	92.9	Very high	11 Å²	11	30.6 Å²	30.6	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-44.1	176.6	0	0	0	0	0	111.2	L187 T188 V189 V195 S196 L244	L187-A192 HydrophobicContact CB-CB 4.49Å; T188-A192 WeakPolarHBondContact O-CB 3.15Å; T188-A192 PolarHBondContact O-N 3.45Å; V189-A192 PolarHBondContact O-N 3.06Å; A192-V195 PolarHBondContact O-N 3.16Å; A192-S196 PolarHBondContact O-N 3.42Å; A192-L244 HydrophobicContact CB-CD2 4.05Å; A192-L244 WeakPolarHBondContact O-CD2 3.43Å
193	M	96.4	Very high	93	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-44	175.1	-73	-62.2	-67.5	0	0	112.4	V189 Q190 E191 V195 S196 A197 V212 I215 L216 L240 A243 L244 V247	V189-M193 WeakPolarHBondContact O-CB 3.38Å; V189-M193 VanDerWaalsContact O-CG 3.3Å; V189-M193 WeakPolarHBondContact O-CG 3.25Å; V189-M193 PolarHBondContact O-N 3.42Å; Q190-M193 PolarHBondContact O-N 3.17Å; E191-M193 VanDerWaalsContact C-N 3.33Å; E191-M193 PolarHBondContact O-N 3.11Å; M193-V195 VanDerWaalsContact C-N 3.34Å; M193-V195 PolarHBondContact O-N 3.17Å; M193-S196 WeakPolarHBondContact O-CB 3.47Å; M193-S196 PolarHBondContact O-N 3.31Å; M193-A197 WeakPolarHBondContact O-CB 3.41Å; M193-A197 PolarHBondContact O-N 2.86Å; M193-V212 HydrophobicContact CB-CB 4.48Å; M193-V212 HydrophobicContact CB-CG1 3.55Å; M193-V212 HydrophobicContact CB-CG2 4.11Å; M193-V212 HydrophobicContact CE-CG2 4.49Å; M193-V212 HydrophobicContact CG-CG1 4.29Å; M193-I215 HydrophobicContact CE-CB 4.13Å; M193-I215 HydrophobicContact CE-CD1 4.39Å; M193-I215 HydrophobicContact CE-CG2 3.74Å; M193-L216 HydrophobicContact CG-CD1 4.34Å; M193-L216 HydrophobicContact CG-CD2 3.93Å; M193-L216 HydrophobicContact CG-CG 4.25Å; M193-L240 HydrophobicContact CG-CD1 4.16Å; M193-L240 HydrophobicContact SD-CD1 4.08Å; M193-A243 HydrophobicContact CE-CB 4.06Å; M193-A243 HydrophobicContact SD-CB 3.61Å; M193-L244 HydrophobicContact CG-CD2 4.41Å; M193-L244 HydrophobicContact SD-CD2 3.75Å; M193-L244 HydrophobicContact SD-CG 4.25Å; M193-V247 HydrophobicContact CE-CG2 3.72Å
194	M	96.1	Very high	92.9	Very high	37 Å²	37	39.6 Å²	39.6	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-36.1	177.2	-73.5	-56.9	-56.5	0	0	112.3	Q190 E191 A197 N198 V212	Q190-M194 WeakPolarHBondContact O-CB 3.37Å; Q190-M194 VanDerWaalsContact O-CG 3.28Å; Q190-M194 WeakPolarHBondContact O-CG 3.45Å; Q190-M194 PolarHBondContact O-N 3.41Å; E191-M194 PolarHBondContact O-N 3.11Å; M194-A197 PolarHBondContact O-N 2.91Å; M194-N198 VanDerWaalsContact O-CB 3.26Å; M194-N198 WeakPolarHBondContact O-CB 3.34Å; M194-N198 PolarHBondContact O-N 2.98Å; M194-N198 PolarHBondContact O-ND2 3.26Å; M194-N198 PolarHBondContact O-OD1 2.99Å; M194-V212 HydrophobicContact SD-CB 4.31Å; M194-V212 HydrophobicContact SD-CG1 4.45Å; M194-V212 HydrophobicContact SD-CG2 3.96Å
195	V	95.6	Very high	92.7	Very high	19 Å²	19	42 Å²	42	12%	0.115	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-48.6	172.1	165.3	0	0	0	0	110.3	E191 A192 M193 N198 L199 I406 R410	E191-V195 WeakPolarHBondContact O-CG2 3.28Å; E191-V195 PolarHBondContact O-N 2.85Å; A192-V195 PolarHBondContact O-N 3.16Å; M193-V195 VanDerWaalsContact C-N 3.34Å; M193-V195 PolarHBondContact O-N 3.17Å; V195-N198 PolarHBondContact O-N 2.94Å; V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 WeakPolarHBondContact O-CD1 3.42Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.48Å; V195-L199 PolarHBondContact O-N 3.22Å; V195-I406 HydrophobicContact CG1-CG2 4.31Å; V195-R410 HydrophobicContact CG2-CB 4.38Å; V195-R410 HydrophobicContact CG2-CG 4.22Å
196	S	94.3	Very high	92.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-50	176.8	-175.1	0	0	0	0	111.5	A192 M193 N198 L199 K200 L244	A192-S196 PolarHBondContact O-N 3.42Å; M193-S196 WeakPolarHBondContact O-CB 3.47Å; M193-S196 PolarHBondContact O-N 3.31Å; S196-N198 PolarHBondContact O-N 3.41Å; S196-L199 PolarHBondContact O-N 3.23Å; S196-K200 WeakPolarHBondContact O-CB 3.45Å; S196-K200 WeakPolarHBondContact O-CG 3.48Å; S196-K200 PolarHBondContact O-N 2.77Å; S196-K200 WeakPolarHBondContact OG-CD 3.22Å; S196-L244 PolarHBondContact OG-O 2.85Å
197	A	93.8	Very high	92.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.5	-47.1	177.2	0	0	0	0	0	112.3	M193 M194 L199 K200 L201 R208 V212 V247	M193-A197 WeakPolarHBondContact O-CB 3.41Å; M193-A197 PolarHBondContact O-N 2.86Å; M194-A197 PolarHBondContact O-N 2.91Å; A197-L199 PolarHBondContact O-N 2.83Å; A197-K200 PolarHBondContact O-N 3.42Å; A197-L201 HydrophobicContact CB-CD1 4.17Å; A197-L201 WeakPolarHBondContact O-CB 3.36Å; A197-L201 PolarHBondContact O-N 3.23Å; A197-R208 HydrophobicContact CB-CB 4.29Å; A197-R208 HydrophobicContact CB-CG 4.35Å; A197-V212 HydrophobicContact CB-CG2 3.85Å; A197-V247 HydrophobicContact CB-CG1 4.12Å
198	N	93.6	Very high	92.4	Very high	37 Å²	37	46.2 Å²	46.2	20%	0.198	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-22	-178.7	-64.4	-22.3	0	0	0	113.8	M194 V195 S196 R208 I406	M194-N198 VanDerWaalsContact O-CB 3.26Å; M194-N198 WeakPolarHBondContact O-CB 3.34Å; M194-N198 PolarHBondContact O-N 2.98Å; M194-N198 PolarHBondContact O-ND2 3.26Å; M194-N198 PolarHBondContact O-OD1 2.99Å; V195-N198 PolarHBondContact O-N 2.94Å; S196-N198 PolarHBondContact O-N 3.41Å; N198-R208 PolarHBondContact OD1-NH1 3.4Å; N198-I406 HydrophobicContact CB-CD1 3.59Å; N198-I406 HydrophobicContact CB-CG1 4.24Å; N198-I406 WeakPolarHBondContact O-CD1 3.26Å
199	L	92.3	Very high	92.2	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-91.5	-33.8	179.2	-71	166.4	0	0	0	112.6	V195 S196 A197 Q403 I406 L407 W491 Y492	V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 WeakPolarHBondContact O-CD1 3.42Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.48Å; V195-L199 PolarHBondContact O-N 3.22Å; S196-L199 PolarHBondContact O-N 3.23Å; A197-L199 PolarHBondContact O-N 2.83Å; L199-Q403 HydrophobicContact CD2-CB 4.4Å; L199-Q403 HydrophobicContact CD2-CG 4.26Å; L199-I406 HydrophobicContact CD1-CG2 4.34Å; L199-I406 HydrophobicContact CD2-CB 4.22Å; L199-I406 HydrophobicContact CD2-CD1 3.93Å; L199-I406 HydrophobicContact CD2-CG2 4.15Å; L199-I406 HydrophobicContact CG-CD1 4.25Å; L199-I406 HydrophobicContact CG-CG2 4.06Å; L199-L407 HydrophobicContact CD1-CD2 4.37Å; L199-W491 HydrophobicContact CD1-CE3 3.99Å; L199-Y492 HydrophobicContact CD1-CD1 3.96Å; L199-Y492 HydrophobicContact CD1-CE1 4.46Å
200	K	89.3	Confident	91.9	Very high	14 Å²	14	57.1 Å²	57.1	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-98.3	-23.7	-173	-66.4	178.5	172.8	-175.7	0	114.1	S196 A197 L244 E245 V247 N248 S397 W491	S196-K200 WeakPolarHBondContact O-CB 3.45Å; S196-K200 WeakPolarHBondContact O-CG 3.48Å; S196-K200 PolarHBondContact O-N 2.77Å; S196-K200 WeakPolarHBondContact OG-CD 3.22Å; A197-K200 PolarHBondContact O-N 3.42Å; K200-L244 PolarHBondContact NZ-O 3Å; K200-E245 IonicContact NZ-OE1 2.75Å; K200-E245 IonicContact NZ-OE2 3.46Å; K200-E245 PolarHBondContact NZ-OE2 2.95Å; K200-V247 HydrophobicContact CB-CG1 4.33Å; K200-V247 HydrophobicContact CD-CB 4.46Å; K200-V247 HydrophobicContact CD-CG1 4.47Å; K200-N248 HydrophobicContact CD-CB 4.21Å; K200-S397 WeakPolarHBondContact O-CB 3.25Å; K200-S397 PolarHBondContact O-OG 2.96Å; K200-W491 VanDerWaalsContact NZ-CE2 3.33Å
201	L	87.6	Confident	91.6	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.084	27%	0.267	C	S	.	.			trans	-112.3	142.8	-173.4	-62.2	179.8	0	0	0	111.4	A197 E203 R208 M211 V247	A197-L201 HydrophobicContact CB-CD1 4.17Å; A197-L201 WeakPolarHBondContact O-CB 3.36Å; A197-L201 PolarHBondContact O-N 3.23Å; L201-E203 WeakPolarHBondContact CA-OE2 3.28Å; L201-E203 WeakPolarHBondContact CB-OE2 3.43Å; L201-R208 HydrophobicContact CB-CG 4.03Å; L201-R208 HydrophobicContact CD1-CG 4.07Å; L201-M211 HydrophobicContact CD1-CE 4.02Å; L201-M211 HydrophobicContact CD1-SD 3.47Å; L201-M211 WeakPolarHBondContact CD1-SD 3.37Å; L201-M211 HydrophobicContact CD2-SD 4.47Å; L201-V247 HydrophobicContact CD1-CG1 3.67Å; L201-V247 HydrophobicContact CD2-CG1 4.44Å; L201-V247 HydrophobicContact CG-CG1 3.85Å
202	Q	84.6	Confident	91.4	Very high	154 Å²	154	53.4 Å²	53.4	72%	0.72	26%	0.258	S	S	*	.			trans	-98.5	-6.1	177.5	-62.4	-173.5	-7.7	0	0	112.5	S397	Q202-S397 WeakPolarHBondContact CG-O 3.24Å; Q202-S397 VanDerWaalsContact CG-OG 3.32Å; Q202-S397 WeakPolarHBondContact CG-OG 3.48Å; Q202-S397 PolarHBondContact NE2-O 2.93Å
203	E	83.8	Confident	91.3	Very high	87 Å²	87	57.9 Å²	57.9	41%	0.407	28%	0.277	S	S	.	.	S	Bend	trans	-65.5	165.2	-174.6	-68.8	84.7	159.4	0	0	112.3	L201 A207 R208	L201-E203 WeakPolarHBondContact CA-OE2 3.28Å; L201-E203 WeakPolarHBondContact CB-OE2 3.43Å; E203-A207 HydrophobicContact CB-CB 4.19Å; E203-R208 HydrophobicContact CB-CG 4.41Å; E203-R208 PolarHBondContact O-NE 2.93Å; E203-R208 PolarHBondContact O-NH2 2.82Å
204	K	88.3	Confident	91	Very high	178 Å²	178	62.3 Å²	62.3	77%	0.774	30%	0.297	S	S	*	.			trans	-61	154.3	173.7	-66.6	-177.2	-178.5	177	0	110.8	E206 A207 R208	K204-E206 PolarHBondContact O-N 3.47Å; K204-A207 PolarHBondContact O-N 3.18Å; K204-R208 PolarHBondContact O-N 3.15Å
205	V	88.9	Confident	90.8	Very high	81 Å²	81	60.7 Å²	60.7	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-57.3	-37	-176.8	178.6	0	0	0	0	111.9	R208 R209	V205-R208 WeakPolarHBondContact O-CB 3.41Å; V205-R208 PolarHBondContact O-N 2.93Å; V205-R209 PolarHBondContact O-N 3.05Å
206	E	90.4	Very high	90.7	Very high	102 Å²	102	60 Å²	60	48%	0.477	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-47.7	179	-60.5	-55.7	158.7	0	0	112.6	K204 R208 R209 E210	K204-E206 PolarHBondContact O-N 3.47Å; E206-R208 VanDerWaalsContact C-N 3.29Å; E206-R208 PolarHBondContact O-N 2.76Å; E206-R209 WeakPolarHBondContact O-CB 3.41Å; E206-R209 PolarHBondContact O-N 2.63Å; E206-R209 IonicContact OE1-NH2 3.98Å; E206-R209 IonicContact OE2-CZ 2.63Å; E206-R209 VanDerWaalsContact OE2-CZ 3.24Å; E206-R209 IonicContact OE2-NE 3.71Å; E206-R209 PolarHBondContact OE2-NE 3.4Å; E206-R209 IonicContact OE2-NH2 2.67Å; E206-R209 PolarHBondContact OE2-NH2 3.22Å; E206-E210 PolarHBondContact O-N 2.92Å
207	A	89.3	Confident	90.5	Very high	42 Å²	42	63 Å²	63	35%	0.347	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-38.3	175.8	0	0	0	0	0	111.9	E203 K204 R209 E210 M211	E203-A207 HydrophobicContact CB-CB 4.19Å; K204-A207 PolarHBondContact O-N 3.18Å; A207-R209 VanDerWaalsContact C-N 3.33Å; A207-R209 PolarHBondContact O-N 2.95Å; A207-E210 PolarHBondContact O-N 3.01Å; A207-M211 WeakPolarHBondContact O-CB 3.49Å; A207-M211 PolarHBondContact O-N 3.44Å
208	R	91.6	Very high	90.2	Very high	45 Å²	45	63.6 Å²	63.6	17%	0.17	31%	0.309	C	S	.	.	H	α-helix	trans	-60.4	-42.6	172.5	-78	179.6	-91.2	169.3	-16.9	111.8	A197 N198 L201 E203 K204 V205 E206 V212	A197-R208 HydrophobicContact CB-CB 4.29Å; A197-R208 HydrophobicContact CB-CG 4.35Å; N198-R208 PolarHBondContact OD1-NH1 3.4Å; L201-R208 HydrophobicContact CB-CG 4.03Å; L201-R208 HydrophobicContact CD1-CG 4.07Å; E203-R208 HydrophobicContact CB-CG 4.41Å; E203-R208 PolarHBondContact O-NE 2.93Å; E203-R208 PolarHBondContact O-NH2 2.82Å; K204-R208 PolarHBondContact O-N 3.15Å; V205-R208 WeakPolarHBondContact O-CB 3.41Å; V205-R208 PolarHBondContact O-N 2.93Å; E206-R208 VanDerWaalsContact C-N 3.29Å; E206-R208 PolarHBondContact O-N 2.76Å; R208-V212 WeakPolarHBondContact O-CB 3.36Å; R208-V212 VanDerWaalsContact O-CG2 3.27Å; R208-V212 WeakPolarHBondContact O-CG2 3.32Å; R208-V212 PolarHBondContact O-N 3.22Å
209	R	92.9	Very high	90	Very high	127 Å²	127	62.2 Å²	62.2	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-42.4	-179.9	-175.8	170.9	65.6	153.9	0.4	111.9	V205 E206 A207 V212 Q213	V205-R209 PolarHBondContact O-N 3.05Å; E206-R209 WeakPolarHBondContact O-CB 3.41Å; E206-R209 PolarHBondContact O-N 2.63Å; E206-R209 IonicContact OE1-NH2 3.98Å; E206-R209 IonicContact OE2-CZ 2.63Å; E206-R209 VanDerWaalsContact OE2-CZ 3.24Å; E206-R209 IonicContact OE2-NE 3.71Å; E206-R209 PolarHBondContact OE2-NE 3.4Å; E206-R209 IonicContact OE2-NH2 2.67Å; E206-R209 PolarHBondContact OE2-NH2 3.22Å; A207-R209 VanDerWaalsContact C-N 3.33Å; A207-R209 PolarHBondContact O-N 2.95Å; R209-V212 PolarHBondContact O-N 3.17Å; R209-Q213 WeakPolarHBondContact O-CB 3.29Å; R209-Q213 PolarHBondContact O-N 2.86Å
210	E	91.4	Very high	89.9	Confident	121 Å²	121	64.2 Å²	64.2	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-61.3	-49	175.3	-72	173.4	178	0	0	111	E206 A207 V212 Q213 E214	E206-E210 PolarHBondContact O-N 2.92Å; A207-E210 PolarHBondContact O-N 3.01Å; E210-V212 VanDerWaalsContact C-N 3.34Å; E210-V212 PolarHBondContact O-N 3.39Å; E210-Q213 WeakPolarHBondContact O-CB 3.46Å; E210-Q213 PolarHBondContact O-N 2.63Å; E210-Q213 VanDerWaalsContact O-N 3.1Å; E210-E214 PolarHBondContact O-N 3.48Å
211	M	89.8	Confident	90.1	Very high	44 Å²	44	63.5 Å²	63.5	22%	0.217	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-43	176.6	-173.5	-173.5	-63.9	0	0	112.5	L201 A207 Q213 E214 I215	L201-M211 HydrophobicContact CD1-CE 4.02Å; L201-M211 HydrophobicContact CD1-SD 3.47Å; L201-M211 WeakPolarHBondContact CD1-SD 3.37Å; L201-M211 HydrophobicContact CD2-SD 4.47Å; A207-M211 WeakPolarHBondContact O-CB 3.49Å; A207-M211 PolarHBondContact O-N 3.44Å; M211-Q213 VanDerWaalsContact C-N 3.3Å; M211-Q213 PolarHBondContact O-N 2.97Å; M211-E214 PolarHBondContact O-N 2.67Å; M211-I215 HydrophobicContact CG-CD1 4.01Å; M211-I215 WeakPolarHBondContact O-CG1 3.37Å; M211-I215 PolarHBondContact O-N 3.17Å
212	V	94	Very high	90.4	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.024	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-43	175.7	163.5	0	0	0	0	110.9	M193 M194 A197 R208 R209 E210 I215 L216	M193-V212 HydrophobicContact CB-CB 4.48Å; M193-V212 HydrophobicContact CB-CG1 3.55Å; M193-V212 HydrophobicContact CB-CG2 4.11Å; M193-V212 HydrophobicContact CE-CG2 4.49Å; M193-V212 HydrophobicContact CG-CG1 4.29Å; M194-V212 HydrophobicContact SD-CB 4.31Å; M194-V212 HydrophobicContact SD-CG1 4.45Å; M194-V212 HydrophobicContact SD-CG2 3.96Å; A197-V212 HydrophobicContact CB-CG2 3.85Å; R208-V212 WeakPolarHBondContact O-CB 3.36Å; R208-V212 VanDerWaalsContact O-CG2 3.27Å; R208-V212 WeakPolarHBondContact O-CG2 3.32Å; R208-V212 PolarHBondContact O-N 3.22Å; R209-V212 PolarHBondContact O-N 3.17Å; E210-V212 VanDerWaalsContact C-N 3.34Å; E210-V212 PolarHBondContact O-N 3.39Å; V212-I215 PolarHBondContact O-N 3.49Å; V212-L216 HydrophobicContact CG1-CD1 3.92Å; V212-L216 HydrophobicContact CG1-CG 4.45Å; V212-L216 WeakPolarHBondContact O-CB 3.45Å; V212-L216 VanDerWaalsContact O-CG 3.27Å; V212-L216 WeakPolarHBondContact O-CG 3.48Å; V212-L216 PolarHBondContact O-N 2.95Å
213	Q	93	Very high	90.7	Very high	106 Å²	106	66.4 Å²	66.4	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-44.5	178.2	-174.3	171.7	-17.9	0	0	111.4	R209 E210 M211 I215 L216 T217 L222	R209-Q213 WeakPolarHBondContact O-CB 3.29Å; R209-Q213 PolarHBondContact O-N 2.86Å; E210-Q213 WeakPolarHBondContact O-CB 3.46Å; E210-Q213 PolarHBondContact O-N 2.63Å; E210-Q213 VanDerWaalsContact O-N 3.1Å; M211-Q213 VanDerWaalsContact C-N 3.3Å; M211-Q213 PolarHBondContact O-N 2.97Å; Q213-I215 PolarHBondContact O-N 3.14Å; Q213-L216 PolarHBondContact O-N 3Å; Q213-T217 WeakPolarHBondContact O-CB 3.22Å; Q213-T217 PolarHBondContact O-N 3.38Å; Q213-T217 PolarHBondContact O-OG1 3.42Å; Q213-T217 VanDerWaalsContact O-OG1 3.05Å; Q213-L222 HydrophobicContact CG-CD1 4.11Å
214	E	90.4	Very high	91.2	Very high	92 Å²	92	63 Å²	63	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-47.8	175.8	-73.2	-175	-165.1	0	0	112.4	S83 E210 M211 L216 T217 A218	S83-E214 WeakPolarHBondContact CB-OE2 3.42Å; S83-E214 PolarHBondContact OG-OE2 3.39Å; E210-E214 PolarHBondContact O-N 3.48Å; M211-E214 PolarHBondContact O-N 2.67Å; E214-L216 PolarHBondContact O-N 3.23Å; E214-T217 PolarHBondContact O-N 2.86Å; E214-A218 WeakPolarHBondContact O-CB 3.3Å; E214-A218 PolarHBondContact O-N 3.49Å
215	I	91.8	Very high	91.6	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-44.4	179.1	-67.8	168.8	0	0	0	110.6	M193 M211 V212 Q213 T217 A218 L219 A243 V247	M193-I215 HydrophobicContact CE-CB 4.13Å; M193-I215 HydrophobicContact CE-CD1 4.39Å; M193-I215 HydrophobicContact CE-CG2 3.74Å; M211-I215 HydrophobicContact CG-CD1 4.01Å; M211-I215 WeakPolarHBondContact O-CG1 3.37Å; M211-I215 PolarHBondContact O-N 3.17Å; V212-I215 PolarHBondContact O-N 3.49Å; Q213-I215 PolarHBondContact O-N 3.14Å; I215-T217 VanDerWaalsContact C-N 3.34Å; I215-T217 PolarHBondContact O-N 2.77Å; I215-A218 PolarHBondContact O-N 2.91Å; I215-L219 HydrophobicContact CG2-CD1 3.75Å; I215-L219 WeakPolarHBondContact O-CB 3.32Å; I215-L219 WeakPolarHBondContact O-CG 3.33Å; I215-L219 PolarHBondContact O-N 3.15Å; I215-L219 VanDerWaalsContact O-N 3.07Å; I215-A243 HydrophobicContact CG2-CB 4.02Å; I215-V247 HydrophobicContact CD1-CG2 4.14Å
216	L	93.4	Very high	91.9	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-37.6	178.4	-72.2	176.5	0	0	0	112.2	V189 M193 V212 Q213 E214 G220 L221 L222 A225	V189-L216 HydrophobicContact CG1-CD1 4.37Å; V189-L216 HydrophobicContact CG1-CD2 3.55Å; M193-L216 HydrophobicContact CG-CD1 4.34Å; M193-L216 HydrophobicContact CG-CD2 3.93Å; M193-L216 HydrophobicContact CG-CG 4.25Å; V212-L216 HydrophobicContact CG1-CD1 3.92Å; V212-L216 HydrophobicContact CG1-CG 4.45Å; V212-L216 WeakPolarHBondContact O-CB 3.45Å; V212-L216 VanDerWaalsContact O-CG 3.27Å; V212-L216 WeakPolarHBondContact O-CG 3.48Å; V212-L216 PolarHBondContact O-N 2.95Å; Q213-L216 PolarHBondContact O-N 3Å; E214-L216 PolarHBondContact O-N 3.23Å; L216-G220 PolarHBondContact O-N 3.1Å; L216-L221 HydrophobicContact CD2-CB 3.72Å; L216-L221 HydrophobicContact CD2-CD1 4.24Å; L216-L221 PolarHBondContact O-N 3.28Å; L216-L222 HydrophobicContact CB-CD1 4.45Å; L216-L222 PolarHBondContact O-N 2.89Å; L216-A225 HydrophobicContact CD1-CB 4.37Å
217	T	91.2	Very high	92.2	Very high	64 Å²	64	57.2 Å²	57.2	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-47.1	173.9	-62.6	0	0	0	0	111.3	Q213 E214 I215 L219 G220	Q213-T217 WeakPolarHBondContact O-CB 3.22Å; Q213-T217 PolarHBondContact O-N 3.38Å; Q213-T217 PolarHBondContact O-OG1 3.42Å; Q213-T217 VanDerWaalsContact O-OG1 3.05Å; E214-T217 PolarHBondContact O-N 2.86Å; I215-T217 VanDerWaalsContact C-N 3.34Å; I215-T217 PolarHBondContact O-N 2.77Å; T217-L219 PolarHBondContact O-N 2.99Å; T217-G220 PolarHBondContact O-N 3.28Å; T217-G220 VanDerWaalsContact O-N 3.08Å
218	A	87	Confident	92.5	Very high	13 Å²	13	59.4 Å²	59.4	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-35.6	-179.7	0	0	0	0	0	112.6	R80 F81 E214 I215	R80-A218 HydrophobicContact CB-CB 4.17Å; R80-A218 WeakPolarHBondContact CD-O 3.25Å; F81-A218 HydrophobicContact CD1-CB 4.15Å; F81-A218 HydrophobicContact CE1-CB 3.56Å; F81-A218 HydrophobicContact CZ-CB 3.92Å; E214-A218 WeakPolarHBondContact O-CB 3.3Å; E214-A218 PolarHBondContact O-N 3.49Å; I215-A218 PolarHBondContact O-N 2.91Å
219	L	89.4	Confident	92.6	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.042	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.1	179.7	-65.1	172.8	0	0	0	114.5	F81 I215 T217 L221 R239 A243 L246 L273	F81-L219 HydrophobicContact CE1-CD2 4.42Å; F81-L219 HydrophobicContact CZ-CD2 4Å; I215-L219 HydrophobicContact CG2-CD1 3.75Å; I215-L219 WeakPolarHBondContact O-CB 3.32Å; I215-L219 WeakPolarHBondContact O-CG 3.33Å; I215-L219 PolarHBondContact O-N 3.15Å; I215-L219 VanDerWaalsContact O-N 3.07Å; T217-L219 PolarHBondContact O-N 2.99Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 HydrophobicContact CB-CD1 4.09Å; L219-L221 HydrophobicContact CB-CG 4.13Å; L219-L221 HydrophobicContact CD1-CD1 4.48Å; L219-L221 PolarHBondContact O-N 3.1Å; L219-R239 WeakPolarHBondContact O-CD 3.48Å; L219-R239 PolarHBondContact O-NE 3.28Å; L219-A243 HydrophobicContact CD1-CB 3.26Å; L219-L246 HydrophobicContact CD1-CD1 4.2Å; L219-L246 HydrophobicContact CD2-CD1 4.4Å; L219-L273 HydrophobicContact CD2-CD1 3.4Å; L219-L273 VanDerWaalsContact CD2-CD1 3.4Å; L219-L273 HydrophobicContact CD2-CD2 3.26Å; L219-L273 HydrophobicContact CD2-CG 3.95Å
220	G	89.7	Confident	92.5	Very high	43 Å²	43	54.2 Å²	54.2	44%	0.443	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	38	-177.5	0	0	0	0	0	113	L216 T217	L216-G220 PolarHBondContact O-N 3.1Å; T217-G220 PolarHBondContact O-N 3.28Å; T217-G220 VanDerWaalsContact O-N 3.08Å
221	L	93.6	Very high	92.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.			trans	-112.6	-0.5	179.5	-67	177.2	0	0	0	113.1	L216 L219 D223 C224 A225 Q236 R239 L240 A243	L216-L221 HydrophobicContact CD2-CB 3.72Å; L216-L221 HydrophobicContact CD2-CD1 4.24Å; L216-L221 PolarHBondContact O-N 3.28Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 HydrophobicContact CB-CD1 4.09Å; L219-L221 HydrophobicContact CB-CG 4.13Å; L219-L221 HydrophobicContact CD1-CD1 4.48Å; L219-L221 PolarHBondContact O-N 3.1Å; L221-D223 VanDerWaalsContact C-N 3.32Å; L221-D223 PolarHBondContact O-N 3.4Å; L221-C224 CarbonylContact O-C 3.53Å; L221-C224 WeakPolarHBondContact O-CA 3.37Å; L221-C224 PolarHBondContact O-N 3.24Å; L221-A225 PolarHBondContact O-N 3.04Å; L221-Q236 HydrophobicContact CD2-CB 4.15Å; L221-Q236 HydrophobicContact CD2-CG 4.21Å; L221-R239 HydrophobicContact CD1-CB 3.98Å; L221-R239 HydrophobicContact CD2-CB 4.25Å; L221-R239 HydrophobicContact CG-CB 4.33Å; L221-L240 HydrophobicContact CD1-CB 4.15Å; L221-A243 HydrophobicContact CD1-CB 4.43Å
222	L	92.9	Very high	92.9	Very high	73 Å²	73	53 Å²	53	38%	0.382	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-59.9	-41.1	-176.8	-171.1	69.4	0	0	0	112.4	Q213 L216 C224 A225	Q213-L222 HydrophobicContact CG-CD1 4.11Å; L216-L222 HydrophobicContact CB-CD1 4.45Å; L216-L222 PolarHBondContact O-N 2.89Å; L222-C224 PolarHBondContact O-N 3.43Å; L222-A225 WeakPolarHBondContact O-CB 3.41Å; L222-A225 PolarHBondContact O-N 2.9Å
223	D	92.7	Very high	92.8	Very high	157 Å²	157	55.6 Å²	55.6	84%	0.84	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-63.6	-27.5	177.9	-58.7	-33.9	0	0	0	112.1	L221	L221-D223 VanDerWaalsContact C-N 3.32Å; L221-D223 PolarHBondContact O-N 3.4Å
224	C	94.3	Very high	92.6	Very high	16 Å²	16	51.5 Å²	51.5	11%	0.108	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-92.9	5.7	178	-52.7	0	0	0	0	113.1	V189 L221 L222 K226 T227 L232 Q236	V189-C224 WeakPolarHBondContact CB-O 3.47Å; V189-C224 WeakPolarHBondContact CG2-O 3.12Å; L221-C224 CarbonylContact O-C 3.53Å; L221-C224 WeakPolarHBondContact O-CA 3.37Å; L221-C224 PolarHBondContact O-N 3.24Å; L222-C224 PolarHBondContact O-N 3.43Å; C224-K226 PolarHBondContact O-N 3.3Å; C224-K226 VanDerWaalsContact O-N 3.1Å; C224-T227 VanDerWaalsContact O-CB 3.3Å; C224-T227 WeakPolarHBondContact O-CB 3.5Å; C224-T227 PolarHBondContact O-N 3.48Å; C224-T227 PolarHBondContact O-OG1 2.99Å; C224-L232 HydrophobicContact CB-CD2 3.96Å; C224-Q236 PolarHBondContact SG-NE2 3.26Å; C224-Q236 VanDerWaalsContact SG-NE2 3.37Å
225	A	95.2	Very high	92.6	Very high	12 Å²	12	47.2 Å²	47.2	10%	0.099	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.4	-172.8	0	0	0	0	0	113.5	Q190 L216 L221 L222	Q190-A225 HydrophobicContact CB-CB 4.36Å; Q190-A225 WeakPolarHBondContact CB-O 3.31Å; Q190-A225 PolarHBondContact N-O 2.62Å; L216-A225 HydrophobicContact CD1-CB 4.37Å; L221-A225 PolarHBondContact O-N 3.04Å; L222-A225 WeakPolarHBondContact O-CB 3.41Å; L222-A225 PolarHBondContact O-N 2.9Å
226	K	96.1	Very high	92.7	Very high	177 Å²	177	49.4 Å²	49.4	77%	0.77	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.1	179.8	-63.1	-178.9	-178	176.4	0	113.7	T188 C224	T188-K226 WeakPolarHBondContact CG2-O 3.44Å; C224-K226 PolarHBondContact O-N 3.3Å; C224-K226 VanDerWaalsContact O-N 3.1Å
227	T	96	Very high	92.7	Very high	50 Å²	50	53.8 Å²	53.8	31%	0.307	29%	0.292	S	S	.	.	S	Bend	trans	-77.4	141.4	-179.6	-52.8	0	0	0	0	110	T188 V189 C224 H231 L232	T188-T227 CarbonylContact C-O 3.58Å; T188-T227 VanDerWaalsContact CA-O 3.24Å; T188-T227 WeakPolarHBondContact CA-O 3.34Å; V189-T227 PolarHBondContact N-O 3.31Å; C224-T227 VanDerWaalsContact O-CB 3.3Å; C224-T227 WeakPolarHBondContact O-CB 3.5Å; C224-T227 PolarHBondContact O-N 3.48Å; C224-T227 PolarHBondContact O-OG1 2.99Å; T227-H231 HydrophobicContact CG2-CB 4.02Å; T227-L232 HydrophobicContact CG2-CD2 4.06Å
228	R	95.3	Very high	92.7	Very high	89 Å²	89	50.9 Å²	50.9	34%	0.336	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-68.6	143.1	172.9	-65.7	-177.2	-177.2	-173.7	-1.2	110.4	L187 S230 H231	L187-R228 WeakPolarHBondContact O-CA 3.07Å; R228-S230 PolarHBondContact O-N 3.1Å; R228-H231 PolarHBondContact O-N 2.88Å
229	T	94.3	Very high	93	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.025	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-57.6	-31	179.2	55.7	0	0	0	0	112.9	L184 P185 L187 H231 L232 L240	L184-T229 PolarHBondContact O-OG1 3.13Å; P185-T229 VanDerWaalsContact C-OG1 3.24Å; P185-T229 WeakPolarHBondContact CA-OG1 3.43Å; P185-T229 PolarHBondContact O-OG1 2.96Å; P185-T229 VanDerWaalsContact O-OG1 3.14Å; L187-T229 WeakPolarHBondContact O-CG2 3.5Å; L187-T229 PolarHBondContact O-N 2.82Å; L187-T229 PolarHBondContact O-OG1 3.22Å; T229-H231 PolarHBondContact O-N 3.31Å; T229-L232 PolarHBondContact O-N 3.43Å; T229-L240 HydrophobicContact CG2-CD2 3.71Å
230	S	91.6	Very high	93.3	Very high	58 Å²	58	51.4 Å²	51.4	41%	0.406	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-63.3	-23.8	174.9	65.2	0	0	0	0	114.5	P185 R228	P185-S230 WeakPolarHBondContact O-CB 3.13Å; P185-S230 PolarHBondContact O-N 3.36Å; P185-S230 PolarHBondContact O-OG 3.48Å; R228-S230 PolarHBondContact O-N 3.1Å
231	H	93.9	Very high	93.5	Very high	134 Å²	134	49.5 Å²	49.5	62%	0.62	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-103.5	9.5	-176.7	-59.3	131.8	0	0	0	113.2	T227 R228 T229	T227-H231 HydrophobicContact CG2-CB 4.02Å; R228-H231 PolarHBondContact O-N 2.88Å; T229-H231 PolarHBondContact O-N 3.31Å
232	L	94.1	Very high	93.5	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	25%	0.253	C	S	.	.	S	Bend	trans	-81.4	146.3	176.4	-64.7	177.6	0	0	0	111.2	V189 C224 T227 T229 Q236 R237 L240	V189-L232 HydrophobicContact CG2-CD1 3.81Å; V189-L232 HydrophobicContact CG2-CD2 3.93Å; V189-L232 HydrophobicContact CG2-CG 4.34Å; C224-L232 HydrophobicContact CB-CD2 3.96Å; T227-L232 HydrophobicContact CG2-CD2 4.06Å; T229-L232 PolarHBondContact O-N 3.43Å; L232-Q236 HydrophobicContact CB-CB 4Å; L232-Q236 HydrophobicContact CD2-CB 4.25Å; L232-R237 HydrophobicContact CB-CG 3.52Å; L232-R237 HydrophobicContact CD1-CG 4.25Å; L232-R237 PolarHBondContact O-NH1 3.23Å; L232-L240 HydrophobicContact CD1-CB 4.48Å; L232-L240 HydrophobicContact CD1-CD2 3.63Å
233	S	92.6	Very high	93.6	Very high	58 Å²	58	46 Å²	46	41%	0.406	24%	0.235	S	C	.	.			trans	-64.2	161	169.1	77.2	0	0	0	0	111.2	G235 Q236 R237	S233-G235 VanDerWaalsContact C-N 3.32Å; S233-G235 PolarHBondContact O-N 3.2Å; S233-Q236 PolarHBondContact O-N 3.24Å; S233-Q236 VanDerWaalsContact O-N 3.12Å; S233-Q236 VanDerWaalsContact OG-CG 3.28Å; S233-Q236 WeakPolarHBondContact OG-CG 3.25Å; S233-Q236 PolarHBondContact OG-N 3.07Å; S233-Q236 PolarHBondContact OG-OE1 3.39Å; S233-R237 WeakPolarHBondContact O-CG 3.23Å; S233-R237 PolarHBondContact O-N 2.93Å
234	G	90.2	Very high	93.7	Very high	21 Å²	21	38.8 Å²	38.8	22%	0.216	20%	0.196	C	C	.	.	H	α-helix	trans	-53.6	-47.8	178.4	0	0	0	0	0	112.6	Q236 R237 K238	G234-Q236 PolarHBondContact O-N 3.09Å; G234-R237 PolarHBondContact O-N 3.39Å; G234-K238 PolarHBondContact O-N 3.39Å
235	G	89.9	Confident	93.6	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-38.2	177.4	0	0	0	0	0	113.4	S233 R239 L262	S233-G235 VanDerWaalsContact C-N 3.32Å; S233-G235 PolarHBondContact O-N 3.2Å; G235-R239 WeakPolarHBondContact O-CG 3.49Å; G235-R239 PolarHBondContact O-N 3.04Å; G235-L262 VanDerWaalsContact N-CD2 3.32Å
236	Q	92.8	Very high	93.4	Very high	49 Å²	49	37.8 Å²	37.8	23%	0.229	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-41.3	175.6	-72.9	168.4	-10.9	0	0	112.2	L221 C224 L232 S233 G234 R239 L240	L221-Q236 HydrophobicContact CD2-CB 4.15Å; L221-Q236 HydrophobicContact CD2-CG 4.21Å; C224-Q236 PolarHBondContact SG-NE2 3.26Å; C224-Q236 VanDerWaalsContact SG-NE2 3.37Å; L232-Q236 HydrophobicContact CB-CB 4Å; L232-Q236 HydrophobicContact CD2-CB 4.25Å; S233-Q236 PolarHBondContact O-N 3.24Å; S233-Q236 VanDerWaalsContact O-N 3.12Å; S233-Q236 VanDerWaalsContact OG-CG 3.28Å; S233-Q236 WeakPolarHBondContact OG-CG 3.25Å; S233-Q236 PolarHBondContact OG-N 3.07Å; S233-Q236 PolarHBondContact OG-OE1 3.39Å; G234-Q236 PolarHBondContact O-N 3.09Å; Q236-R239 PolarHBondContact O-N 2.88Å; Q236-L240 WeakPolarHBondContact O-CB 3.35Å; Q236-L240 PolarHBondContact O-N 3.23Å
237	R	93.4	Very high	93.1	Very high	96 Å²	96	29.5 Å²	29.5	36%	0.362	15%	0.152	S	C	.	.	H	α-helix	trans	-61.4	-46	175.2	-71.8	-168.3	-56.5	-114.2	9.6	111.3	D181 L183 L232 S233 G234 L240 A241	D181-R237 HydrophobicContact CB-CB 4.3Å; L183-R237 HydrophobicContact CD1-CB 4.17Å; L183-R237 HydrophobicContact CD1-CG 4.37Å; L232-R237 HydrophobicContact CB-CG 3.52Å; L232-R237 HydrophobicContact CD1-CG 4.25Å; L232-R237 PolarHBondContact O-NH1 3.23Å; S233-R237 WeakPolarHBondContact O-CG 3.23Å; S233-R237 PolarHBondContact O-N 2.93Å; G234-R237 PolarHBondContact O-N 3.39Å; R237-L240 PolarHBondContact O-N 3.24Å; R237-A241 PolarHBondContact O-N 3.05Å
238	K	92.3	Very high	92.6	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.013	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-52	176.1	-169.3	68.6	67.2	-166.7	0	110.4	Q179 D181 G234 L240 A241 I242 P258 L262 V270	Q179-K238 PolarHBondContact O-NZ 3.17Å; D181-K238 WeakPolarHBondContact OD1-CD 3.49Å; D181-K238 VanDerWaalsContact OD1-CE 3.23Å; D181-K238 WeakPolarHBondContact OD1-CE 3.4Å; D181-K238 IonicContact OD1-NZ 3.75Å; D181-K238 PolarHBondContact OD1-NZ 3.36Å; D181-K238 PolarHBondContact OD2-N 2.96Å; D181-K238 IonicContact OD2-NZ 2.78Å; G234-K238 PolarHBondContact O-N 3.39Å; K238-L240 VanDerWaalsContact C-N 3.28Å; K238-L240 PolarHBondContact O-N 3.05Å; K238-A241 WeakPolarHBondContact O-CB 3.42Å; K238-A241 PolarHBondContact O-N 3.38Å; K238-A241 VanDerWaalsContact O-N 3.07Å; K238-I242 WeakPolarHBondContact O-CG1 3.19Å; K238-I242 PolarHBondContact O-N 3.45Å; K238-I242 VanDerWaalsContact O-N 3.11Å; K238-P258 WeakPolarHBondContact CE-O 3.45Å; K238-L262 HydrophobicContact CB-CD1 4.46Å; K238-L262 HydrophobicContact CG-CD1 4.4Å; K238-V270 HydrophobicContact CG-CG1 4.33Å; K238-V270 HydrophobicContact CG-CG2 4.22Å
239	R	93.1	Very high	92.1	Very high	32 Å²	32	25.7 Å²	25.7	12%	0.121	14%	0.136	C	C	.	.	H	α-helix	trans	-58.1	-37.5	176.7	-72.9	-164.5	-65.5	-98	9.6	113.1	L219 L221 G235 Q236 I242 A243 V270 L273	L219-R239 WeakPolarHBondContact O-CD 3.48Å; L219-R239 PolarHBondContact O-NE 3.28Å; L221-R239 HydrophobicContact CD1-CB 3.98Å; L221-R239 HydrophobicContact CD2-CB 4.25Å; L221-R239 HydrophobicContact CG-CB 4.33Å; G235-R239 WeakPolarHBondContact O-CG 3.49Å; G235-R239 PolarHBondContact O-N 3.04Å; Q236-R239 PolarHBondContact O-N 2.88Å; R239-I242 PolarHBondContact O-N 3.3Å; R239-A243 WeakPolarHBondContact O-CB 3.45Å; R239-A243 PolarHBondContact O-N 2.65Å; R239-V270 HydrophobicContact CG-CG2 4.39Å; R239-L273 HydrophobicContact CG-CD2 4.38Å
240	L	95.4	Very high	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-41.2	175.1	178.7	56.5	0	0	0	111.9	L183 V189 M193 L221 T229 L232 Q236 R237 K238 I242 A243 L244	L183-L240 HydrophobicContact CD1-CB 4.47Å; L183-L240 HydrophobicContact CD1-CD2 4.07Å; L183-L240 HydrophobicContact CD1-CG 4.35Å; V189-L240 HydrophobicContact CB-CD2 4.44Å; V189-L240 HydrophobicContact CG1-CD1 3.85Å; V189-L240 HydrophobicContact CG1-CD2 4.37Å; V189-L240 HydrophobicContact CG2-CD2 3.97Å; M193-L240 HydrophobicContact CG-CD1 4.16Å; M193-L240 HydrophobicContact SD-CD1 4.08Å; L221-L240 HydrophobicContact CD1-CB 4.15Å; T229-L240 HydrophobicContact CG2-CD2 3.71Å; L232-L240 HydrophobicContact CD1-CB 4.48Å; L232-L240 HydrophobicContact CD1-CD2 3.63Å; Q236-L240 WeakPolarHBondContact O-CB 3.35Å; Q236-L240 PolarHBondContact O-N 3.23Å; R237-L240 PolarHBondContact O-N 3.24Å; K238-L240 VanDerWaalsContact C-N 3.28Å; K238-L240 PolarHBondContact O-N 3.05Å; L240-I242 PolarHBondContact O-N 3.27Å; L240-A243 HydrophobicContact CD1-CB 4.26Å; L240-A243 WeakPolarHBondContact O-CB 3.46Å; L240-A243 PolarHBondContact O-N 3.15Å; L240-A243 VanDerWaalsContact O-N 3.1Å; L240-L244 HydrophobicContact CD1-CD2 4.43Å; L240-L244 HydrophobicContact CD1-CG 4.2Å; L240-L244 HydrophobicContact CG-CD1 4.46Å; L240-L244 HydrophobicContact CG-CG 4.48Å; L240-L244 VanDerWaalsContact O-CG 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 3.45Å
241	A	94.4	Very high	91.9	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-58.1	-39.7	174.6	0	0	0	0	0	111.6	R237 K238	R237-A241 PolarHBondContact O-N 3.05Å; K238-A241 WeakPolarHBondContact O-CB 3.42Å; K238-A241 PolarHBondContact O-N 3.38Å; K238-A241 VanDerWaalsContact O-N 3.07Å
242	I	93.8	Very high	91.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.7	-46.3	172.6	-51.5	-177.7	0	0	0	110.8	I177 K238 R239 L240 L244 E245 L246 M253 F255 V270 L273 L274 L277	I177-I242 HydrophobicContact CD1-CG1 4.3Å; K238-I242 WeakPolarHBondContact O-CG1 3.19Å; K238-I242 PolarHBondContact O-N 3.45Å; K238-I242 VanDerWaalsContact O-N 3.11Å; R239-I242 PolarHBondContact O-N 3.3Å; L240-I242 PolarHBondContact O-N 3.27Å; I242-L244 VanDerWaalsContact C-N 3.3Å; I242-L244 PolarHBondContact O-N 3.09Å; I242-E245 PolarHBondContact O-N 3.08Å; I242-E245 VanDerWaalsContact O-N 3.1Å; I242-L246 HydrophobicContact CG2-CD1 3.87Å; I242-L246 HydrophobicContact CG2-CG 4.1Å; I242-L246 WeakPolarHBondContact O-CG 3.33Å; I242-L246 PolarHBondContact O-N 2.93Å; I242-M253 HydrophobicContact CG2-CE 4.44Å; I242-F255 HydrophobicContact CD1-CD1 4.49Å; I242-F255 HydrophobicContact CD1-CE1 3.84Å; I242-F255 HydrophobicContact CG1-CE1 3.83Å; I242-F255 HydrophobicContact CG2-CE1 4.17Å; I242-F255 HydrophobicContact CG2-CZ 4.38Å; I242-V270 HydrophobicContact CD1-CG1 4.3Å; I242-L273 HydrophobicContact CD1-CD2 3.95Å; I242-L273 HydrophobicContact CG2-CD2 4.48Å; I242-L274 HydrophobicContact CD1-CD2 4.15Å; I242-L277 HydrophobicContact CG2-CD1 4.2Å
243	A	94	Very high	91.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-54.4	-44.7	-179.9	0	0	0	0	0	112.6	M193 I215 L219 L221 R239 L240 E245 L246 V247	M193-A243 HydrophobicContact CE-CB 4.06Å; M193-A243 HydrophobicContact SD-CB 3.61Å; I215-A243 HydrophobicContact CG2-CB 4.02Å; L219-A243 HydrophobicContact CD1-CB 3.26Å; L221-A243 HydrophobicContact CD1-CB 4.43Å; R239-A243 WeakPolarHBondContact O-CB 3.45Å; R239-A243 PolarHBondContact O-N 2.65Å; L240-A243 HydrophobicContact CD1-CB 4.26Å; L240-A243 WeakPolarHBondContact O-CB 3.46Å; L240-A243 PolarHBondContact O-N 3.15Å; L240-A243 VanDerWaalsContact O-N 3.1Å; A243-E245 PolarHBondContact O-N 3.11Å; A243-L246 PolarHBondContact O-N 2.94Å; A243-V247 PolarHBondContact O-N 3.42Å
244	L	94.7	Very high	92.1	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-62.1	-30	-178.8	-68.9	171.6	0	0	0	112.7	L183 A192 M193 S196 K200 L240 I242 W491	L183-L244 HydrophobicContact CD2-CD1 3.46Å; L183-L244 VanDerWaalsContact CD2-CD1 3.46Å; A192-L244 HydrophobicContact CB-CD2 4.05Å; A192-L244 WeakPolarHBondContact O-CD2 3.43Å; M193-L244 HydrophobicContact CG-CD2 4.41Å; M193-L244 HydrophobicContact SD-CD2 3.75Å; M193-L244 HydrophobicContact SD-CG 4.25Å; S196-L244 PolarHBondContact OG-O 2.85Å; K200-L244 PolarHBondContact NZ-O 3Å; L240-L244 HydrophobicContact CD1-CD2 4.43Å; L240-L244 HydrophobicContact CD1-CG 4.2Å; L240-L244 HydrophobicContact CG-CD1 4.46Å; L240-L244 HydrophobicContact CG-CG 4.48Å; L240-L244 VanDerWaalsContact O-CG 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 3.45Å; I242-L244 VanDerWaalsContact C-N 3.3Å; I242-L244 PolarHBondContact O-N 3.09Å; L244-W491 HydrophobicContact CB-CH2 3.88Å; L244-W491 HydrophobicContact CB-CZ2 3.89Å; L244-W491 HydrophobicContact CD1-CH2 4.28Å; L244-W491 HydrophobicContact CD2-CH2 4.11Å; L244-W491 HydrophobicContact CG-CH2 4.31Å
245	E	92.3	Very high	92.3	Very high	7 Å²	7	12.9 Å²	12.9	3%	0.033	6%	0.059	C	C	.	.	H	α-helix	trans	-87	-31.6	177.1	-62	-56.5	158.2	0	0	112.8	C175 I177 K200 I242 A243 V247 N248 P250 N489 W491	C175-E245 HydrophobicContact CB-CB 4.2Å; C175-E245 HydrophobicContact CB-CG 4.39Å; I177-E245 HydrophobicContact CD1-CB 4.37Å; I177-E245 HydrophobicContact CD1-CG 4.34Å; I177-E245 HydrophobicContact CG1-CG 4.06Å; K200-E245 IonicContact NZ-OE1 2.75Å; K200-E245 IonicContact NZ-OE2 3.46Å; K200-E245 PolarHBondContact NZ-OE2 2.95Å; I242-E245 PolarHBondContact O-N 3.08Å; I242-E245 VanDerWaalsContact O-N 3.1Å; A243-E245 PolarHBondContact O-N 3.11Å; E245-V247 PolarHBondContact O-N 3.37Å; E245-V247 VanDerWaalsContact O-N 3.14Å; E245-N248 PolarHBondContact O-N 2.81Å; E245-P250 WeakPolarHBondContact O-CD 3.33Å; E245-N489 VanDerWaalsContact CD-ND2 3.25Å; E245-N489 PolarHBondContact OE1-ND2 2.99Å; E245-W491 PolarHBondContact OE1-NE1 3.44Å; E245-W491 PolarHBondContact OE2-NE1 3.15Å
246	L	90.9	Very high	92.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.1	-18.6	177.1	-74.5	175.2	0	0	0	114.4	F81 L219 I242 A243 N248 N249 M253 L277	F81-L246 HydrophobicContact CE1-CD1 4.4Å; L219-L246 HydrophobicContact CD1-CD1 4.2Å; L219-L246 HydrophobicContact CD2-CD1 4.4Å; I242-L246 HydrophobicContact CG2-CD1 3.87Å; I242-L246 HydrophobicContact CG2-CG 4.1Å; I242-L246 WeakPolarHBondContact O-CG 3.33Å; I242-L246 PolarHBondContact O-N 2.93Å; A243-L246 PolarHBondContact O-N 2.94Å; L246-N248 VanDerWaalsContact C-N 3.28Å; L246-N248 PolarHBondContact O-N 2.89Å; L246-N249 WeakPolarHBondContact O-CA 3.46Å; L246-N249 PolarHBondContact O-N 3.33Å; L246-M253 HydrophobicContact CD2-CE 3.69Å; L246-M253 HydrophobicContact CD2-SD 3.89Å; L246-M253 HydrophobicContact CG-CE 4.19Å; L246-L277 HydrophobicContact CD1-CD1 4.31Å; L246-L277 HydrophobicContact CD1-CD2 4.11Å; L246-L277 HydrophobicContact CD2-CD1 4.11Å; L246-L277 HydrophobicContact CD2-CD2 3.67Å
247	V	90.3	Very high	92.4	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.018	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-40.3	176	174	0	0	0	0	112.8	M193 A197 K200 L201 I215 A243 E245 N249	M193-V247 HydrophobicContact CE-CG2 3.72Å; A197-V247 HydrophobicContact CB-CG1 4.12Å; K200-V247 HydrophobicContact CB-CG1 4.33Å; K200-V247 HydrophobicContact CD-CB 4.46Å; K200-V247 HydrophobicContact CD-CG1 4.47Å; L201-V247 HydrophobicContact CD1-CG1 3.67Å; L201-V247 HydrophobicContact CD2-CG1 4.44Å; L201-V247 HydrophobicContact CG-CG1 3.85Å; I215-V247 HydrophobicContact CD1-CG2 4.14Å; A243-V247 PolarHBondContact O-N 3.42Å; E245-V247 PolarHBondContact O-N 3.37Å; E245-V247 VanDerWaalsContact O-N 3.14Å; V247-N249 PolarHBondContact O-N 2.73Å
248	N	84.6	Confident	92.4	Very high	53 Å²	53	8.3 Å²	8.3	28%	0.283	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.5	176.9	-169.5	28.7	0	0	0	112.8	R87 K172 K200 E245 L246	R87-N248 PolarHBondContact NH2-O 3.41Å; R87-N248 VanDerWaalsContact NH2-O 3.15Å; K172-N248 PolarHBondContact O-ND2 3.46Å; K200-N248 HydrophobicContact CD-CB 4.21Å; E245-N248 PolarHBondContact O-N 2.81Å; L246-N248 VanDerWaalsContact C-N 3.28Å; L246-N248 PolarHBondContact O-N 2.89Å
249	N	86.7	Confident	92.3	Very high	6 Å²	6	9.2 Å²	9.2	3%	0.032	5%	0.048	C	C	.	.			trans	48	63.4	-174.3	-175	26	0	0	0	112.5	P85 R87 L246 V247 R282	P85-N249 PolarHBondContact O-ND2 2.87Å; R87-N249 WeakPolarHBondContact CG-O 3.46Å; R87-N249 PolarHBondContact NE-O 3.48Å; L246-N249 WeakPolarHBondContact O-CA 3.46Å; L246-N249 PolarHBondContact O-N 3.33Å; V247-N249 PolarHBondContact O-N 2.73Å; N249-R282 PolarHBondContact OD1-NE 3.08Å; N249-R282 PolarHBondContact OD1-NH2 2.98Å
250	P	90	Very high	92.1	Very high	4 Å²	4	10.1 Å²	10.1	3%	0.026	6%	0.059	C	C	.	.			trans	-70.5	136.3	-178.6	28.4	-33.4	0	0	0	111.6	C175 E245 V252 M253	C175-P250 HydrophobicContact CB-CB 4.42Å; C175-P250 HydrophobicContact CB-CG 4.07Å; C175-P250 VanDerWaalsContact SG-CG 3.57Å; E245-P250 WeakPolarHBondContact O-CD 3.33Å; P250-V252 VanDerWaalsContact C-N 3.34Å; P250-M253 HydrophobicContact CG-CE 4.28Å; P250-M253 HydrophobicContact CG-CG 4.08Å; P250-M253 HydrophobicContact CG-SD 4.44Å
251	P	90.6	Very high	91.6	Very high	7 Å²	7	14 Å²	14	5%	0.045	10%	0.098	C	C	.	.	S	Bend	trans	-72.4	-22.5	175.6	27.2	-36.3	0	0	0	114.1	R87 V90 V173 R282 T283	R87-P251 HydrophobicContact CB-CB 4.18Å; V90-P251 HydrophobicContact CB-CB 4.26Å; V90-P251 HydrophobicContact CB-CG 4.44Å; V90-P251 HydrophobicContact CG2-CB 3.75Å; V90-P251 HydrophobicContact CG2-CG 3.66Å; V173-P251 HydrophobicContact CB-CG 3.82Å; V173-P251 WeakPolarHBondContact O-CD 3.26Å; V173-P251 VanDerWaalsContact O-CG 3.28Å; V173-P251 WeakPolarHBondContact O-CG 3.42Å; P251-R282 CarbonylContact O-C 3.58Å; P251-R282 WeakPolarHBondContact O-CA 3.35Å; P251-T283 PolarHBondContact O-N 3.03Å
252	V	93.4	Very high	91.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.4	176.6	178.6	0	0	0	0	110.2	V90 I92 F170 V173 S174 C175 P250 F254	V90-V252 HydrophobicContact CB-CG2 3.7Å; V90-V252 HydrophobicContact CG1-CG2 3.48Å; V90-V252 VanDerWaalsContact CG1-CG2 3.48Å; I92-V252 HydrophobicContact CD1-CG1 3.55Å; I92-V252 HydrophobicContact CD1-CG2 4.19Å; F170-V252 HydrophobicContact CE2-CG2 4.3Å; F170-V252 HydrophobicContact CZ-CG1 4.22Å; V173-V252 PolarHBondContact O-N 3.01Å; S174-V252 CarbonylContact C-O 3.57Å; S174-V252 VanDerWaalsContact CA-O 3.31Å; S174-V252 WeakPolarHBondContact CA-O 3.48Å; C175-V252 PolarHBondContact N-O 3.49Å; P250-V252 VanDerWaalsContact C-N 3.34Å; V252-F254 HydrophobicContact CG1-CD2 4.12Å; V252-F254 HydrophobicContact CG1-CE2 3.5Å; V252-F254 VanDerWaalsContact CG1-CE2 3.5Å; V252-F254 HydrophobicContact CG1-CZ 3.82Å
253	M	94.8	Very high	91.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.4	179.5	-54	-172.6	79.4	0	0	111.3	C175 I177 I242 L246 P250 F255 L277 T283 I285	C175-M253 VanDerWaalsContact SG-CE 3.58Å; I177-M253 HydrophobicContact CD1-CE 4.25Å; I242-M253 HydrophobicContact CG2-CE 4.44Å; L246-M253 HydrophobicContact CD2-CE 3.69Å; L246-M253 HydrophobicContact CD2-SD 3.89Å; L246-M253 HydrophobicContact CG-CE 4.19Å; P250-M253 HydrophobicContact CG-CE 4.28Å; P250-M253 HydrophobicContact CG-CG 4.08Å; P250-M253 HydrophobicContact CG-SD 4.44Å; M253-F255 HydrophobicContact CB-CD2 4.31Å; M253-F255 HydrophobicContact CB-CE2 3.41Å; M253-F255 VanDerWaalsContact CB-CE2 3.41Å; M253-F255 HydrophobicContact CB-CZ 3.95Å; M253-F255 HydrophobicContact CE-CZ 3.83Å; M253-F255 HydrophobicContact SD-CE2 4.48Å; M253-F255 HydrophobicContact SD-CZ 4.23Å; M253-L277 HydrophobicContact SD-CD1 4.19Å; M253-T283 PolarHBondContact N-O 3.32Å; M253-I285 PolarHBondContact O-N 3.07Å
254	F	95.9	Very high	90.9	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.7	173.9	-59.9	-85.6	0	0	0	110.3	I92 M143 L146 A147 F170 C175 Y176 I177 V252 I285	I92-F254 HydrophobicContact CD1-CE1 4.4Å; I92-F254 HydrophobicContact CD1-CZ 3.74Å; M143-F254 HydrophobicContact CG-CB 4.17Å; M143-F254 HydrophobicContact CG-CD1 3.91Å; M143-F254 HydrophobicContact CG-CG 4.4Å; M143-F254 HydrophobicContact SD-CB 4.2Å; L146-F254 HydrophobicContact CB-CE1 3.74Å; L146-F254 HydrophobicContact CB-CZ 4.01Å; A147-F254 HydrophobicContact CB-CD2 3.8Å; A147-F254 HydrophobicContact CB-CE2 3.89Å; A147-F254 HydrophobicContact CB-CG 4.17Å; A147-F254 HydrophobicContact CB-CZ 4.33Å; F170-F254 HydrophobicContact CE1-CE2 4.16Å; F170-F254 HydrophobicContact CE1-CZ 4.46Å; F170-F254 AromaticContact CZ-CE2 3.98Å; F170-F254 HydrophobicContact CZ-CE2 3.98Å; F170-F254 HydrophobicContact CZ-CZ 4.11Å; C175-F254 PolarHBondContact O-N 2.92Å; Y176-F254 HydrophobicContact CD2-CB 3.67Å; Y176-F254 HydrophobicContact CD2-CG 4.3Å; Y176-F254 HydrophobicContact CE2-CB 4.27Å; Y176-F254 HydrophobicContact CG-CB 4.29Å; I177-F254 PolarHBondContact N-O 3.36Å; V252-F254 HydrophobicContact CG1-CD2 4.12Å; V252-F254 HydrophobicContact CG1-CE2 3.5Å; V252-F254 VanDerWaalsContact CG1-CE2 3.5Å; V252-F254 HydrophobicContact CG1-CZ 3.82Å; F254-I285 CarbonylContact C-O 3.6Å; F254-I285 WeakPolarHBondContact CA-O 3.4Å; F254-I285 HydrophobicContact CD1-CB 4.02Å; F254-I285 HydrophobicContact CD1-CD1 3.94Å; F254-I285 HydrophobicContact CD1-CG2 4.26Å; F254-I285 HydrophobicContact CE1-CB 4.39Å; F254-I285 HydrophobicContact CE1-CD1 3.46Å; F254-I285 VanDerWaalsContact CE1-CD1 3.46Å; F254-I285 HydrophobicContact CZ-CD1 4.15Å
255	F	95.4	Very high	90.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112	178.8	-60.5	-97.5	0	0	0	110.7	M143 I177 I242 M253 P258 L274 V284 I285 C286 T287	M143-F255 VanDerWaalsContact CE-O 3.31Å; M143-F255 WeakPolarHBondContact CE-O 3.46Å; I177-F255 HydrophobicContact CB-CD1 3.95Å; I177-F255 HydrophobicContact CB-CE1 4.35Å; I177-F255 HydrophobicContact CD1-CD1 3.69Å; I177-F255 HydrophobicContact CD1-CE1 3.18Å; I177-F255 HydrophobicContact CD1-CZ 3.74Å; I177-F255 HydrophobicContact CG1-CD1 4.41Å; I177-F255 HydrophobicContact CG1-CE1 4.32Å; I177-F255 HydrophobicContact CG2-CD1 4.16Å; I242-F255 HydrophobicContact CD1-CD1 4.49Å; I242-F255 HydrophobicContact CD1-CE1 3.84Å; I242-F255 HydrophobicContact CG1-CE1 3.83Å; I242-F255 HydrophobicContact CG2-CE1 4.17Å; I242-F255 HydrophobicContact CG2-CZ 4.38Å; M253-F255 HydrophobicContact CB-CD2 4.31Å; M253-F255 HydrophobicContact CB-CE2 3.41Å; M253-F255 VanDerWaalsContact CB-CE2 3.41Å; M253-F255 HydrophobicContact CB-CZ 3.95Å; M253-F255 HydrophobicContact CE-CZ 3.83Å; M253-F255 HydrophobicContact SD-CE2 4.48Å; M253-F255 HydrophobicContact SD-CZ 4.23Å; F255-P258 HydrophobicContact CB-CB 4.11Å; F255-P258 HydrophobicContact CB-CG 3.94Å; F255-L274 HydrophobicContact CD1-CD1 4.5Å; F255-L274 HydrophobicContact CD1-CD2 3.93Å; F255-L274 HydrophobicContact CD2-CD1 4.34Å; F255-L274 HydrophobicContact CD2-CD2 4.04Å; F255-L274 HydrophobicContact CE1-CD2 3.41Å; F255-L274 VanDerWaalsContact CE1-CD2 3.41Å; F255-L274 HydrophobicContact CE2-CD2 3.58Å; F255-L274 HydrophobicContact CG-CD1 4.28Å; F255-L274 HydrophobicContact CG-CD2 4.22Å; F255-L274 HydrophobicContact CZ-CD2 3.25Å; F255-V284 HydrophobicContact CD2-CG1 3.86Å; F255-V284 HydrophobicContact CE2-CG1 3.61Å; F255-I285 PolarHBondContact N-O 2.91Å; F255-C286 HydrophobicContact CB-CB 3.77Å; F255-C286 CarbonylContact O-C 3.57Å; F255-C286 WeakPolarHBondContact O-CA 3.31Å; F255-C286 WeakPolarHBondContact O-CB 3.4Å; F255-T287 PolarHBondContact O-N 3.28Å
256	D	93.1	Very high	90.4	Very high	16 Å²	16	27.2 Å²	27.2	9%	0.086	18%	0.183	C	C	.	.	S	Bend	trans	-86	114.9	175.1	-153.9	11.7	0	0	0	109.8	S140 M143 Y176 I177 Q179 T287	S140-D256 PolarHBondContact OG-OD1 3.46Å; S140-D256 PolarHBondContact OG-OD2 3.05Å; M143-D256 HydrophobicContact SD-CB 4.09Å; Y176-D256 HydrophobicContact CE1-CB 4.27Å; Y176-D256 WeakPolarHBondContact OH-CB 3.47Å; Y176-D256 PolarHBondContact OH-OD2 2.86Å; I177-D256 PolarHBondContact O-N 3.05Å; Q179-D256 VanDerWaalsContact CA-O 3.24Å; Q179-D256 WeakPolarHBondContact CA-O 3.26Å; Q179-D256 PolarHBondContact N-O 3.24Å; D256-T287 VanDerWaalsContact CA-OG1 3.31Å; D256-T287 WeakPolarHBondContact CA-OG1 3.42Å; D256-T287 PolarHBondContact OD1-OG1 2.9Å
257	E	91.9	Very high	90.4	Very high	32 Å²	32	27.8 Å²	27.8	15%	0.15	19%	0.187	C	C	.	.	S	Bend	trans	44.1	57.9	179.3	-58	-164.8	174	0	0	114.7	Q179 T259 S260 T287	Q179-E257 HydrophobicContact CG-CB 4.21Å; Q179-E257 PolarHBondContact NE2-OE2 2.9Å; E257-T259 PolarHBondContact O-N 3.08Å; E257-S260 WeakPolarHBondContact O-CB 3.42Å; E257-S260 PolarHBondContact O-N 3.1Å; E257-T287 WeakPolarHBondContact CA-O 3.43Å; E257-T287 PolarHBondContact N-O 3.38Å; E257-T287 PolarHBondContact N-OG1 2.85Å
258	P	92.3	Very high	90.5	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.019	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.6	-174.4	27.6	-34.7	0	0	0	114.1	K238 F255 V270 L274 C286 T287	K238-P258 WeakPolarHBondContact CE-O 3.45Å; F255-P258 HydrophobicContact CB-CB 4.11Å; F255-P258 HydrophobicContact CB-CG 3.94Å; P258-V270 HydrophobicContact CB-CG1 4.26Å; P258-L274 HydrophobicContact CB-CD1 4.42Å; P258-L274 HydrophobicContact CG-CD1 4.07Å; P258-C286 HydrophobicContact CG-CB 3.98Å; P258-T287 WeakPolarHBondContact CD-O 3.18Å
259	T	91.7	Very high	90.7	Very high	23 Å²	23	32.6 Å²	32.6	14%	0.141	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.5	178.8	55.1	0	0	0	0	113.5	E257 C267 V271	E257-T259 PolarHBondContact O-N 3.08Å; T259-C267 HydrophobicContact CG2-CB 4.27Å; T259-C267 PolarHBondContact O-SG 3.12Å; T259-V271 HydrophobicContact CG2-CG2 3.74Å
260	S	88.9	Confident	91	Very high	50 Å²	50	32.3 Å²	32.3	35%	0.35	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	134.5	-177.2	-161.7	0	0	0	0	111.5	Q179 E257 L262	Q179-S260 PolarHBondContact NE2-OG 3.39Å; E257-S260 WeakPolarHBondContact O-CB 3.42Å; E257-S260 PolarHBondContact O-N 3.1Å; S260-L262 VanDerWaalsContact C-N 3.27Å; S260-L262 PolarHBondContact O-N 3.36Å
261	G	84.6	Confident	91.1	Very high	81 Å²	81	32.1 Å²	32.1	84%	0.835	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	16	178.1	0	0	0	0	0	115.6
262	L	89	Confident	91.2	Very high	30 Å²	30	32 Å²	32	16%	0.157	20%	0.204	C	C	.	.			trans	-108.7	151.1	178.2	-64	-175.7	0	0	0	111.9	G235 K238 S260 C267 V270	G235-L262 VanDerWaalsContact N-CD2 3.32Å; K238-L262 HydrophobicContact CB-CD1 4.46Å; K238-L262 HydrophobicContact CG-CD1 4.4Å; S260-L262 VanDerWaalsContact C-N 3.27Å; S260-L262 PolarHBondContact O-N 3.36Å; L262-C267 VanDerWaalsContact CB-SG 3.52Å; L262-V270 HydrophobicContact CD1-CG2 3.96Å
263	D	89.4	Confident	91.1	Very high	81 Å²	81	32.7 Å²	32.7	43%	0.433	21%	0.207	S	C	.	.			trans	-72.7	161.3	168.2	68.4	-77.1	0	0	0	111.2	S265 S266 C267	D263-S265 PolarHBondContact O-N 2.9Å; D263-S265 WeakPolarHBondContact OD2-CB 3.26Å; D263-S265 PolarHBondContact OD2-N 3.35Å; D263-S265 VanDerWaalsContact OD2-N 3.13Å; D263-S265 PolarHBondContact OD2-OG 3.1Å; D263-S266 PolarHBondContact O-N 3.3Å; D263-S266 VanDerWaalsContact O-N 3.14Å; D263-S266 WeakPolarHBondContact OD1-CB 3.41Å; D263-S266 PolarHBondContact OD1-OG 3.32Å; D263-S266 PolarHBondContact OD2-N 2.97Å; D263-S266 VanDerWaalsContact OD2-N 3.09Å; D263-C267 PolarHBondContact O-N 2.91Å; D263-C267 PolarHBondContact O-SG 3.47Å; D263-C267 VanDerWaalsContact O-SG 3.39Å
264	S	87.6	Confident	91.1	Very high	104 Å²	104	32.7 Å²	32.7	73%	0.727	21%	0.207	S	C	*	.	H	α-helix	trans	-57.6	-34.3	-174.7	57.9	0	0	0	0	113.7	F268	S264-F268 PolarHBondContact O-N 3Å
265	S	88.1	Confident	90.9	Very high	65 Å²	65	33.7 Å²	33.7	46%	0.455	21%	0.212	S	C	.	.	H	α-helix	trans	-73.3	-43	178.9	82.2	0	0	0	0	111.5	D263 F268 Q269	D263-S265 PolarHBondContact O-N 2.9Å; D263-S265 WeakPolarHBondContact OD2-CB 3.26Å; D263-S265 PolarHBondContact OD2-N 3.35Å; D263-S265 VanDerWaalsContact OD2-N 3.13Å; D263-S265 PolarHBondContact OD2-OG 3.1Å; S265-F268 PolarHBondContact O-N 3.49Å; S265-Q269 WeakPolarHBondContact O-CG 3.31Å; S265-Q269 PolarHBondContact O-N 2.93Å; S265-Q269 VanDerWaalsContact O-N 3.09Å
266	S	89.1	Confident	90.7	Very high	13 Å²	13	33.9 Å²	33.9	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-40.5	174.7	-67.3	0	0	0	0	112	D263 F268 Q269 V270	D263-S266 PolarHBondContact O-N 3.3Å; D263-S266 VanDerWaalsContact O-N 3.14Å; D263-S266 WeakPolarHBondContact OD1-CB 3.41Å; D263-S266 PolarHBondContact OD1-OG 3.32Å; D263-S266 PolarHBondContact OD2-N 2.97Å; D263-S266 VanDerWaalsContact OD2-N 3.09Å; S266-F268 VanDerWaalsContact C-N 3.33Å; S266-F268 PolarHBondContact O-N 3.28Å; S266-Q269 PolarHBondContact O-N 3.42Å; S266-V270 WeakPolarHBondContact O-CG2 3.31Å; S266-V270 PolarHBondContact O-N 3.04Å
267	C	91.1	Very high	90.6	Very high	11 Å²	11	33.1 Å²	33.1	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-55.8	-48.3	173.9	-75.1	0	0	0	0	111.4	T259 L262 D263 Q269 V270 V271 L295	T259-C267 HydrophobicContact CG2-CB 4.27Å; T259-C267 PolarHBondContact O-SG 3.12Å; L262-C267 VanDerWaalsContact CB-SG 3.52Å; D263-C267 PolarHBondContact O-N 2.91Å; D263-C267 PolarHBondContact O-SG 3.47Å; D263-C267 VanDerWaalsContact O-SG 3.39Å; C267-Q269 PolarHBondContact O-N 3.45Å; C267-V270 PolarHBondContact O-N 3.06Å; C267-V271 WeakPolarHBondContact O-CG2 3.33Å; C267-V271 PolarHBondContact O-N 2.94Å; C267-L295 HydrophobicContact CB-CD1 3.86Å
268	F	91.4	Very high	90.6	Very high	69 Å²	69	31.6 Å²	31.6	30%	0.303	20%	0.202	S	C	.	.	H	α-helix	trans	-60.3	-46	178.2	-175	-95.3	0	0	0	111.7	S264 S265 S266 V270 V271 S272 K294 L295 L298	S264-F268 PolarHBondContact O-N 3Å; S265-F268 PolarHBondContact O-N 3.49Å; S266-F268 VanDerWaalsContact C-N 3.33Å; S266-F268 PolarHBondContact O-N 3.28Å; F268-V270 VanDerWaalsContact C-N 3.33Å; F268-V270 PolarHBondContact O-N 3.37Å; F268-V271 PolarHBondContact O-N 2.88Å; F268-S272 VanDerWaalsContact O-CB 3.25Å; F268-S272 WeakPolarHBondContact O-CB 3.29Å; F268-S272 PolarHBondContact O-N 2.94Å; F268-S272 PolarHBondContact O-OG 3.34Å; F268-K294 HydrophobicContact CD2-CD 4.36Å; F268-K294 HydrophobicContact CD2-CG 4.49Å; F268-K294 HydrophobicContact CE2-CD 4.25Å; F268-K294 HydrophobicContact CE2-CG 4.27Å; F268-L295 HydrophobicContact CB-CD2 4.02Å; F268-L295 HydrophobicContact CD2-CD2 3.98Å; F268-L295 HydrophobicContact CG-CD2 4.48Å; F268-L298 HydrophobicContact CD2-CD1 4.07Å; F268-L298 HydrophobicContact CE2-CD1 3.88Å
269	Q	89.8	Confident	90.5	Very high	88 Å²	88	39.6 Å²	39.6	41%	0.411	23%	0.232	S	C	.	.	H	α-helix	trans	-60.4	-41.2	177.3	-69.2	173.8	4.9	0	0	112.7	S265 S266 C267 L273	S265-Q269 WeakPolarHBondContact O-CG 3.31Å; S265-Q269 PolarHBondContact O-N 2.93Å; S265-Q269 VanDerWaalsContact O-N 3.09Å; S266-Q269 PolarHBondContact O-N 3.42Å; C267-Q269 PolarHBondContact O-N 3.45Å; Q269-L273 WeakPolarHBondContact O-CB 3.41Å; Q269-L273 PolarHBondContact O-N 2.84Å
270	V	91.9	Very high	90.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-47.7	178.7	172.2	0	0	0	0	110.8	K238 R239 I242 P258 L262 S266 C267 F268 L273 L274	K238-V270 HydrophobicContact CG-CG1 4.33Å; K238-V270 HydrophobicContact CG-CG2 4.22Å; R239-V270 HydrophobicContact CG-CG2 4.39Å; I242-V270 HydrophobicContact CD1-CG1 4.3Å; P258-V270 HydrophobicContact CB-CG1 4.26Å; L262-V270 HydrophobicContact CD1-CG2 3.96Å; S266-V270 WeakPolarHBondContact O-CG2 3.31Å; S266-V270 PolarHBondContact O-N 3.04Å; C267-V270 PolarHBondContact O-N 3.06Å; F268-V270 VanDerWaalsContact C-N 3.33Å; F268-V270 PolarHBondContact O-N 3.37Å; V270-L273 WeakPolarHBondContact O-CB 3.5Å; V270-L273 PolarHBondContact O-N 2.82Å; V270-L274 WeakPolarHBondContact O-CG 3.45Å; V270-L274 PolarHBondContact O-N 3.42Å
271	V	93.9	Very high	90.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-39.5	-179.5	177.9	0	0	0	0	111.6	L128 T259 C267 F268 L273 L274 K275 L295 L298 F299	L128-V271 HydrophobicContact CD2-CG1 4.24Å; T259-V271 HydrophobicContact CG2-CG2 3.74Å; C267-V271 WeakPolarHBondContact O-CG2 3.33Å; C267-V271 PolarHBondContact O-N 2.94Å; F268-V271 PolarHBondContact O-N 2.88Å; V271-L273 VanDerWaalsContact C-N 3.3Å; V271-L273 PolarHBondContact O-N 2.9Å; V271-L274 WeakPolarHBondContact O-CB 3.45Å; V271-L274 PolarHBondContact O-N 3.02Å; V271-L274 VanDerWaalsContact O-N 3.13Å; V271-K275 PolarHBondContact O-N 3.33Å; V271-L295 HydrophobicContact CB-CD2 4.23Å; V271-L295 HydrophobicContact CG2-CD2 4.24Å; V271-L298 HydrophobicContact CB-CD1 4.15Å; V271-L298 HydrophobicContact CG1-CB 3.92Å; V271-L298 HydrophobicContact CG1-CD1 3.64Å; V271-L298 HydrophobicContact CG1-CG 4.44Å; V271-F299 HydrophobicContact CG1-CE1 4.36Å; V271-F299 HydrophobicContact CG1-CE2 3.97Å; V271-F299 HydrophobicContact CG1-CZ 3.55Å; V271-F299 HydrophobicContact CG2-CZ 4.3Å
272	S	92.2	Very high	90.4	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-38.9	173.6	-65.5	0	0	0	0	112.1	E77 F268 K275 A276	E77-S272 WeakPolarHBondContact OE2-CB 3.17Å; F268-S272 VanDerWaalsContact O-CB 3.25Å; F268-S272 WeakPolarHBondContact O-CB 3.29Å; F268-S272 PolarHBondContact O-N 2.94Å; F268-S272 PolarHBondContact O-OG 3.34Å; S272-K275 WeakPolarHBondContact O-CB 3.48Å; S272-K275 PolarHBondContact O-N 3.28Å; S272-A276 PolarHBondContact O-N 3.25Å
273	L	90.9	Very high	90.6	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.073	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-47.6	170.4	165.8	65.4	0	0	0	111.9	F81 L219 R239 I242 Q269 V270 V271 K275 A276 L277	F81-L273 HydrophobicContact CE1-CD1 4.35Å; F81-L273 HydrophobicContact CE2-CD1 3.45Å; F81-L273 VanDerWaalsContact CE2-CD1 3.45Å; F81-L273 HydrophobicContact CZ-CD1 3.25Å; L219-L273 HydrophobicContact CD2-CD1 3.4Å; L219-L273 VanDerWaalsContact CD2-CD1 3.4Å; L219-L273 HydrophobicContact CD2-CD2 3.26Å; L219-L273 HydrophobicContact CD2-CG 3.95Å; R239-L273 HydrophobicContact CG-CD2 4.38Å; I242-L273 HydrophobicContact CD1-CD2 3.95Å; I242-L273 HydrophobicContact CG2-CD2 4.48Å; Q269-L273 WeakPolarHBondContact O-CB 3.41Å; Q269-L273 PolarHBondContact O-N 2.84Å; V270-L273 WeakPolarHBondContact O-CB 3.5Å; V270-L273 PolarHBondContact O-N 2.82Å; V271-L273 VanDerWaalsContact C-N 3.3Å; V271-L273 PolarHBondContact O-N 2.9Å; L273-K275 PolarHBondContact O-N 3.09Å; L273-A276 PolarHBondContact O-N 2.95Å; L273-A276 VanDerWaalsContact O-N 3.15Å; L273-L277 HydrophobicContact CD1-CD1 4.26Å; L273-L277 HydrophobicContact CD1-CG 4.19Å; L273-L277 HydrophobicContact CG-CD1 4.31Å; L273-L277 WeakPolarHBondContact O-CG 3.38Å; L273-L277 PolarHBondContact O-N 3.44Å
274	L	93.7	Very high	90.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-39.8	176.8	-63.3	-171.9	0	0	0	111.5	L128 I242 F255 P258 V270 V271 L277 A278 V284	L128-L274 HydrophobicContact CD1-CB 3.85Å; L128-L274 HydrophobicContact CD2-CB 4.44Å; I242-L274 HydrophobicContact CD1-CD2 4.15Å; F255-L274 HydrophobicContact CD1-CD1 4.5Å; F255-L274 HydrophobicContact CD1-CD2 3.93Å; F255-L274 HydrophobicContact CD2-CD1 4.34Å; F255-L274 HydrophobicContact CD2-CD2 4.04Å; F255-L274 HydrophobicContact CE1-CD2 3.41Å; F255-L274 VanDerWaalsContact CE1-CD2 3.41Å; F255-L274 HydrophobicContact CE2-CD2 3.58Å; F255-L274 HydrophobicContact CG-CD1 4.28Å; F255-L274 HydrophobicContact CG-CD2 4.22Å; F255-L274 HydrophobicContact CZ-CD2 3.25Å; P258-L274 HydrophobicContact CB-CD1 4.42Å; P258-L274 HydrophobicContact CG-CD1 4.07Å; V270-L274 WeakPolarHBondContact O-CG 3.45Å; V270-L274 PolarHBondContact O-N 3.42Å; V271-L274 WeakPolarHBondContact O-CB 3.45Å; V271-L274 PolarHBondContact O-N 3.02Å; V271-L274 VanDerWaalsContact O-N 3.13Å; L274-L277 HydrophobicContact CD2-CD1 4.41Å; L274-L277 PolarHBondContact O-N 2.65Å; L274-A278 PolarHBondContact O-N 2.83Å; L274-V284 HydrophobicContact CB-CG1 4.15Å; L274-V284 HydrophobicContact CD2-CG1 4.41Å
275	K	93.8	Very high	91.4	Very high	21 Å²	21	26 Å²	26	9%	0.091	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-43.8	174.9	-174.9	62.8	167.2	-155.2	0	112.2	L128 V271 S272 L273 L277 A278 R279 L298 D300	L128-K275 HydrophobicContact CB-CD 4.14Å; L128-K275 HydrophobicContact CD2-CB 4.02Å; L128-K275 HydrophobicContact CD2-CD 4.09Å; V271-K275 PolarHBondContact O-N 3.33Å; S272-K275 WeakPolarHBondContact O-CB 3.48Å; S272-K275 PolarHBondContact O-N 3.28Å; L273-K275 PolarHBondContact O-N 3.09Å; K275-L277 VanDerWaalsContact C-N 3.34Å; K275-A278 PolarHBondContact O-N 2.85Å; K275-R279 WeakPolarHBondContact O-CG 3.33Å; K275-R279 PolarHBondContact O-N 2.95Å; K275-L298 WeakPolarHBondContact CD-O 3.14Å; K275-L298 WeakPolarHBondContact CE-O 3.43Å; K275-L298 PolarHBondContact NZ-O 3.03Å; K275-D300 IonicContact NZ-OD1 3.66Å; K275-D300 PolarHBondContact NZ-OD1 2.96Å; K275-D300 IonicContact NZ-OD2 2.71Å; K275-D300 PolarHBondContact NZ-OD2 2.89Å
276	A	90.3	Very high	91.7	Very high	5 Å²	5	23 Å²	23	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-40	176.5	0	0	0	0	0	111.8	E77 F81 S272 L273 R279 G280	E77-A276 HydrophobicContact CB-CB 4.2Å; F81-A276 HydrophobicContact CD2-CB 4.18Å; F81-A276 HydrophobicContact CE2-CB 4.21Å; S272-A276 PolarHBondContact O-N 3.25Å; L273-A276 PolarHBondContact O-N 2.95Å; L273-A276 VanDerWaalsContact O-N 3.15Å; A276-R279 PolarHBondContact O-N 3.33Å; A276-G280 PolarHBondContact O-N 3.43Å; A276-G280 VanDerWaalsContact O-N 3.12Å
277	L	90.3	Very high	92	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-43.4	175.4	-70.8	173.8	0	0	0	112.1	F81 I242 L246 M253 L273 L274 K275 G280 R282 V284	F81-L277 HydrophobicContact CD1-CD2 4.07Å; F81-L277 HydrophobicContact CD2-CD2 4.2Å; F81-L277 HydrophobicContact CE1-CD2 4.19Å; F81-L277 HydrophobicContact CE2-CD2 4.33Å; F81-L277 HydrophobicContact CG-CD2 4.07Å; F81-L277 HydrophobicContact CZ-CD2 4.34Å; I242-L277 HydrophobicContact CG2-CD1 4.2Å; L246-L277 HydrophobicContact CD1-CD1 4.31Å; L246-L277 HydrophobicContact CD1-CD2 4.11Å; L246-L277 HydrophobicContact CD2-CD1 4.11Å; L246-L277 HydrophobicContact CD2-CD2 3.67Å; M253-L277 HydrophobicContact SD-CD1 4.19Å; L273-L277 HydrophobicContact CD1-CD1 4.26Å; L273-L277 HydrophobicContact CD1-CG 4.19Å; L273-L277 HydrophobicContact CG-CD1 4.31Å; L273-L277 WeakPolarHBondContact O-CG 3.38Å; L273-L277 PolarHBondContact O-N 3.44Å; L274-L277 HydrophobicContact CD2-CD1 4.41Å; L274-L277 PolarHBondContact O-N 2.65Å; K275-L277 VanDerWaalsContact C-N 3.34Å; L277-G280 PolarHBondContact O-N 2.86Å; L277-R282 WeakPolarHBondContact O-CB 3.35Å; L277-R282 PolarHBondContact O-NH1 3.44Å; L277-V284 HydrophobicContact CB-CG2 4.31Å
278	A	92.2	Very high	92.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.9	-50.6	175.6	0	0	0	0	0	111.3	G126 L128 L274 K275 G280 G281 R282 V284	G126-A278 VanDerWaalsContact CA-O 3.28Å; G126-A278 WeakPolarHBondContact CA-O 3.41Å; G126-A278 CarbonylContact O-C 3.59Å; L128-A278 HydrophobicContact CB-CB 4.11Å; L274-A278 PolarHBondContact O-N 2.83Å; K275-A278 PolarHBondContact O-N 2.85Å; A278-G280 PolarHBondContact O-N 2.87Å; A278-G281 PolarHBondContact O-N 3.35Å; A278-R282 PolarHBondContact O-N 2.8Å; A278-V284 HydrophobicContact CB-CB 4.16Å; A278-V284 HydrophobicContact CB-CG2 3.9Å
279	R	90.2	Very high	91.7	Very high	171 Å²	171	22.2 Å²	22.2	65%	0.645	12%	0.117	S	C	*	.	H	α-helix	trans	-56.7	-24.8	174.9	-74.7	179.2	173.7	171.7	1	113.7	K275 A276 G281	K275-R279 WeakPolarHBondContact O-CG 3.33Å; K275-R279 PolarHBondContact O-N 2.95Å; A276-R279 PolarHBondContact O-N 3.33Å; R279-G281 PolarHBondContact O-N 3.48Å
280	G	85.4	Confident	91.5	Very high	44 Å²	44	23.1 Å²	23.1	45%	0.454	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	5.6	171.1	0	0	0	0	0	115.2	A276 L277 A278	A276-G280 PolarHBondContact O-N 3.43Å; A276-G280 VanDerWaalsContact O-N 3.12Å; L277-G280 PolarHBondContact O-N 2.86Å; A278-G280 PolarHBondContact O-N 2.87Å
281	G	86.4	Confident	91.5	Very high	29 Å²	29	23.5 Å²	23.5	30%	0.299	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	19.5	-179.9	0	0	0	0	0	114.3	S125 A278 R279	S125-G281 VanDerWaalsContact OG-C 3.25Å; S125-G281 PolarHBondContact OG-O 3.01Å; A278-G281 PolarHBondContact O-N 3.35Å; R279-G281 PolarHBondContact O-N 3.48Å
282	R	90.8	Very high	91.4	Very high	11 Å²	11	26.5 Å²	26.5	4%	0.042	15%	0.145	C	C	.	.			trans	-96.9	153	176.7	-61.7	175.6	-171.7	75.9	2.5	110.6	L84 G126 N249 P251 L277 A278 V284	L84-R282 VanDerWaalsContact CD1-NH2 3.33Å; G126-R282 PolarHBondContact N-O 2.67Å; N249-R282 PolarHBondContact OD1-NE 3.08Å; N249-R282 PolarHBondContact OD1-NH2 2.98Å; P251-R282 CarbonylContact O-C 3.58Å; P251-R282 WeakPolarHBondContact O-CA 3.35Å; L277-R282 WeakPolarHBondContact O-CB 3.35Å; L277-R282 PolarHBondContact O-NH1 3.44Å; A278-R282 PolarHBondContact O-N 2.8Å; R282-V284 HydrophobicContact CB-CG2 4.16Å
283	T	94.1	Very high	91.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	107.6	169.3	-56.4	0	0	0	0	107.5	V90 F123 S125 P251 M253 I285	V90-T283 PolarHBondContact O-OG1 3.09Å; F123-T283 HydrophobicContact CB-CG2 4.1Å; S125-T283 WeakPolarHBondContact CA-OG1 3.46Å; S125-T283 PolarHBondContact N-OG1 3.34Å; P251-T283 PolarHBondContact O-N 3.03Å; M253-T283 PolarHBondContact N-O 3.32Å; T283-I285 HydrophobicContact CG2-CD1 4.08Å; T283-I285 HydrophobicContact CG2-CG1 4.24Å
284	V	96.4	Very high	91.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.4	-176.7	-179.7	0	0	0	0	109.3	D127 L128 V129 F255 L274 L277 A278 R282	D127-V284 PolarHBondContact O-N 3.11Å; L128-V284 HydrophobicContact CD1-CB 3.88Å; L128-V284 HydrophobicContact CD1-CG1 3.43Å; L128-V284 VanDerWaalsContact CD1-CG1 3.43Å; V129-V284 PolarHBondContact N-O 3.35Å; F255-V284 HydrophobicContact CD2-CG1 3.86Å; F255-V284 HydrophobicContact CE2-CG1 3.61Å; L274-V284 HydrophobicContact CB-CG1 4.15Å; L274-V284 HydrophobicContact CD2-CG1 4.41Å; L277-V284 HydrophobicContact CB-CG2 4.31Å; A278-V284 HydrophobicContact CB-CB 4.16Å; A278-V284 HydrophobicContact CB-CG2 3.9Å; R282-V284 HydrophobicContact CB-CG2 4.16Å
285	I	96.9	Very high	91.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126	-176.5	-58	155.7	0	0	0	108	I92 F123 V129 I131 M143 M253 F254 F255 T283	I92-I285 HydrophobicContact CD1-CD1 4.03Å; F123-I285 HydrophobicContact CB-CD1 4.16Å; F123-I285 HydrophobicContact CB-CG1 4.37Å; F123-I285 HydrophobicContact CD2-CD1 3.46Å; F123-I285 VanDerWaalsContact CD2-CD1 3.46Å; F123-I285 HydrophobicContact CD2-CG1 3.86Å; F123-I285 HydrophobicContact CD2-CG2 4.47Å; F123-I285 HydrophobicContact CE2-CD1 4.19Å; F123-I285 HydrophobicContact CE2-CG1 4.43Å; F123-I285 HydrophobicContact CE2-CG2 4.23Å; F123-I285 HydrophobicContact CG-CD1 4.15Å; F123-I285 HydrophobicContact CG-CG1 4.27Å; V129-I285 HydrophobicContact CB-CG1 4.38Å; I131-I285 HydrophobicContact CD1-CG2 3.63Å; I131-I285 HydrophobicContact CG1-CG2 4.13Å; M143-I285 HydrophobicContact CE-CG2 4.12Å; M253-I285 PolarHBondContact O-N 3.07Å; F254-I285 CarbonylContact C-O 3.6Å; F254-I285 WeakPolarHBondContact CA-O 3.4Å; F254-I285 HydrophobicContact CD1-CB 4.02Å; F254-I285 HydrophobicContact CD1-CD1 3.94Å; F254-I285 HydrophobicContact CD1-CG2 4.26Å; F254-I285 HydrophobicContact CE1-CB 4.39Å; F254-I285 HydrophobicContact CE1-CD1 3.46Å; F254-I285 VanDerWaalsContact CE1-CD1 3.46Å; F254-I285 HydrophobicContact CZ-CD1 4.15Å; F255-I285 PolarHBondContact N-O 2.91Å; T283-I285 HydrophobicContact CG2-CD1 4.08Å; T283-I285 HydrophobicContact CG2-CG1 4.24Å
286	C	95.8	Very high	91.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.3	177.4	62.6	0	0	0	0	113.2	V129 A130 I131 F255 P258 F299	V129-C286 PolarHBondContact O-N 3.27Å; A130-C286 CarbonylContact C-O 3.56Å; A130-C286 WeakPolarHBondContact CA-O 3.36Å; I131-C286 PolarHBondContact N-O 3.21Å; F255-C286 HydrophobicContact CB-CB 3.77Å; F255-C286 CarbonylContact O-C 3.57Å; F255-C286 WeakPolarHBondContact O-CA 3.31Å; F255-C286 WeakPolarHBondContact O-CB 3.4Å; P258-C286 HydrophobicContact CG-CB 3.98Å; C286-F299 WeakPolarHBondContact SG-CE1 3.21Å
287	T	95.3	Very high	91.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.5	168.4	51.2	0	0	0	0	108.3	I131 K139 M143 F255 D256 E257 P258	I131-T287 HydrophobicContact CB-CG2 4.22Å; I131-T287 HydrophobicContact CG2-CG2 4.42Å; I131-T287 WeakPolarHBondContact O-CA 3.4Å; K139-T287 HydrophobicContact CB-CG2 3.88Å; M143-T287 HydrophobicContact CB-CG2 4.5Å; M143-T287 HydrophobicContact CE-CG2 3.58Å; M143-T287 VanDerWaalsContact CE-N 3.33Å; M143-T287 HydrophobicContact SD-CG2 4.15Å; F255-T287 PolarHBondContact O-N 3.28Å; D256-T287 VanDerWaalsContact CA-OG1 3.31Å; D256-T287 WeakPolarHBondContact CA-OG1 3.42Å; D256-T287 PolarHBondContact OD1-OG1 2.9Å; E257-T287 WeakPolarHBondContact CA-O 3.43Å; E257-T287 PolarHBondContact N-O 3.38Å; E257-T287 PolarHBondContact N-OG1 2.85Å; P258-T287 WeakPolarHBondContact CD-O 3.18Å
288	I	91.9	Very high	91.6	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	23%	0.228	C	C	.	.			trans	-135.2	136.2	178.6	-60.9	-177.1	0	0	0	109.9	I131 P291 F299	I131-I288 PolarHBondContact O-N 3.03Å; I131-I288 VanDerWaalsContact O-N 3.08Å; I288-P291 HydrophobicContact CG2-CB 3.79Å; I288-P291 HydrophobicContact CG2-CG 3.84Å; I288-F299 HydrophobicContact CD1-CD1 4.46Å; I288-F299 HydrophobicContact CD1-CD2 4.4Å; I288-F299 HydrophobicContact CD1-CE1 3.51Å; I288-F299 HydrophobicContact CD1-CE2 3.4Å; I288-F299 VanDerWaalsContact CD1-CE2 3.4Å; I288-F299 HydrophobicContact CD1-CZ 2.91Å; I288-F299 HydrophobicContact CG1-CZ 4.38Å
289	H	83.6	Confident	91.8	Very high	75 Å²	75	43.4 Å²	43.4	35%	0.347	23%	0.229	S	C	.	.	S	Bend	trans	-102.8	117.1	172.7	-167.2	-76.3	0	0	0	108.9
290	Q	84.8	Confident	92.1	Very high	106 Å²	106	37.8 Å²	37.8	50%	0.495	21%	0.212	S	C	.	.	S	Bend	trans	38.1	73	173.8	-68.6	175.8	-41.8	0	0	115.1
291	P	91.9	Very high	92.6	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.058	20%	0.2	C	C	.	.			trans	-74.2	151.1	176.4	29.9	-29.9	0	0	0	111.8	M132 I288 L295 F296 N335 A337	M132-P291 HydrophobicContact CE-CG 4.19Å; M132-P291 HydrophobicContact SD-CG 4.25Å; I288-P291 HydrophobicContact CG2-CB 3.79Å; I288-P291 HydrophobicContact CG2-CG 3.84Å; P291-L295 HydrophobicContact CB-CB 4.1Å; P291-F296 HydrophobicContact CG-CB 4.16Å; P291-F296 HydrophobicContact CG-CD2 4.08Å; P291-N335 PolarHBondContact O-ND2 2.94Å; P291-A337 HydrophobicContact CG-CB 4.01Å
292	S	91.7	Very high	93	Very high	64 Å²	64	36.8 Å²	36.8	45%	0.448	19%	0.187	S	C	.	.			trans	-62.7	151.9	166.6	66.6	0	0	0	0	111	K294 L295 F296	S292-K294 PolarHBondContact O-N 2.71Å; S292-K294 VanDerWaalsContact O-N 3.15Å; S292-L295 WeakPolarHBondContact O-CA 3.43Å; S292-L295 WeakPolarHBondContact O-CB 3.41Å; S292-L295 PolarHBondContact O-N 3.19Å; S292-L295 WeakPolarHBondContact OG-CG 3.41Å; S292-F296 PolarHBondContact O-N 3.18Å
293	A	90.9	Very high	93.3	Very high	43 Å²	43	36.5 Å²	36.5	36%	0.355	19%	0.186	S	C	.	.	H	α-helix	trans	-50.9	-42.5	-179	0	0	0	0	0	112.9	L295 F296 E297	A293-L295 VanDerWaalsContact C-N 3.33Å; A293-L295 PolarHBondContact O-N 3.43Å; A293-F296 WeakPolarHBondContact O-CB 3.39Å; A293-F296 PolarHBondContact O-N 2.9Å; A293-F296 VanDerWaalsContact O-N 3.17Å; A293-E297 WeakPolarHBondContact O-CG 3.38Å; A293-E297 PolarHBondContact O-N 3.35Å
294	K	90.7	Very high	93.4	Very high	136 Å²	136	36.5 Å²	36.5	59%	0.591	19%	0.186	S	C	*	.	H	α-helix	trans	-61.1	-37.6	176.9	-172	179.9	-177.3	-177	0	113.3	F268 S292	F268-K294 HydrophobicContact CD2-CD 4.36Å; F268-K294 HydrophobicContact CD2-CG 4.49Å; F268-K294 HydrophobicContact CE2-CD 4.25Å; F268-K294 HydrophobicContact CE2-CG 4.27Å; S292-K294 PolarHBondContact O-N 2.71Å; S292-K294 VanDerWaalsContact O-N 3.15Å
295	L	92.8	Very high	93.3	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-74.7	-38.9	175.7	-68.2	175	0	0	0	110.8	C267 F268 V271 P291 S292 A293 E297 L298 F299	C267-L295 HydrophobicContact CB-CD1 3.86Å; F268-L295 HydrophobicContact CB-CD2 4.02Å; F268-L295 HydrophobicContact CD2-CD2 3.98Å; F268-L295 HydrophobicContact CG-CD2 4.48Å; V271-L295 HydrophobicContact CB-CD2 4.23Å; V271-L295 HydrophobicContact CG2-CD2 4.24Å; P291-L295 HydrophobicContact CB-CB 4.1Å; S292-L295 WeakPolarHBondContact O-CA 3.43Å; S292-L295 WeakPolarHBondContact O-CB 3.41Å; S292-L295 PolarHBondContact O-N 3.19Å; S292-L295 WeakPolarHBondContact OG-CG 3.41Å; A293-L295 VanDerWaalsContact C-N 3.33Å; A293-L295 PolarHBondContact O-N 3.43Å; L295-E297 VanDerWaalsContact C-N 3.29Å; L295-E297 PolarHBondContact O-N 2.85Å; L295-L298 HydrophobicContact CD2-CD1 4.31Å; L295-L298 WeakPolarHBondContact O-CB 3.41Å; L295-L298 PolarHBondContact O-N 2.89Å; L295-L298 VanDerWaalsContact O-N 3.09Å; L295-F299 VanDerWaalsContact O-CD2 3.29Å; L295-F299 WeakPolarHBondContact O-CD2 3.48Å; L295-F299 WeakPolarHBondContact O-CE2 3.4Å
296	F	94.8	Very high	93.1	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-39.6	-179.6	-176	-116.8	0	0	0	112.4	M132 P291 S292 A293 L298 F299 L302 V316 L319 P336 A337	M132-F296 HydrophobicContact SD-CD2 4.21Å; M132-F296 HydrophobicContact SD-CE2 3.93Å; P291-F296 HydrophobicContact CG-CB 4.16Å; P291-F296 HydrophobicContact CG-CD2 4.08Å; S292-F296 PolarHBondContact O-N 3.18Å; A293-F296 WeakPolarHBondContact O-CB 3.39Å; A293-F296 PolarHBondContact O-N 2.9Å; A293-F296 VanDerWaalsContact O-N 3.17Å; F296-L298 PolarHBondContact O-N 3.2Å; F296-F299 WeakPolarHBondContact O-CD2 3.49Å; F296-F299 PolarHBondContact O-N 3.42Å; F296-L302 HydrophobicContact CE2-CD1 4.16Å; F296-L302 HydrophobicContact CE2-CD2 3.98Å; F296-L302 HydrophobicContact CZ-CD2 3.9Å; F296-V316 HydrophobicContact CD1-CG1 3.9Å; F296-V316 HydrophobicContact CE1-CG1 3.47Å; F296-V316 VanDerWaalsContact CE1-CG1 3.47Å; F296-V316 HydrophobicContact CE2-CG1 4.32Å; F296-V316 HydrophobicContact CG-CG1 4.49Å; F296-V316 HydrophobicContact CZ-CG1 3.72Å; F296-L319 HydrophobicContact CE1-CD2 4.22Å; F296-L319 HydrophobicContact CZ-CD2 3.73Å; F296-P336 HydrophobicContact CE1-CB 3.99Å; F296-A337 HydrophobicContact CB-CB 4.19Å; F296-A337 HydrophobicContact CD1-CB 4.1Å; F296-A337 HydrophobicContact CD2-CB 3.65Å; F296-A337 HydrophobicContact CE1-CB 4.37Å; F296-A337 HydrophobicContact CE2-CB 3.96Å; F296-A337 HydrophobicContact CG-CB 3.71Å; F296-A337 HydrophobicContact CZ-CB 4.3Å
297	E	92.8	Very high	92.9	Very high	154 Å²	154	42.6 Å²	42.6	72%	0.72	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.6	176.2	-73.1	176.6	-178.8	0	0	114.4	A293 L295 F299	A293-E297 WeakPolarHBondContact O-CG 3.38Å; A293-E297 PolarHBondContact O-N 3.35Å; L295-E297 VanDerWaalsContact C-N 3.29Å; L295-E297 PolarHBondContact O-N 2.85Å; E297-F299 VanDerWaalsContact C-N 3.29Å; E297-F299 PolarHBondContact O-N 3Å
298	L	94.6	Very high	92.7	Very high	39 Å²	39	42.6 Å²	42.6	20%	0.204	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.2	178.3	-64.1	174.3	0	0	0	112.7	F268 V271 K275 L295 F296	F268-L298 HydrophobicContact CD2-CD1 4.07Å; F268-L298 HydrophobicContact CE2-CD1 3.88Å; V271-L298 HydrophobicContact CB-CD1 4.15Å; V271-L298 HydrophobicContact CG1-CB 3.92Å; V271-L298 HydrophobicContact CG1-CD1 3.64Å; V271-L298 HydrophobicContact CG1-CG 4.44Å; K275-L298 WeakPolarHBondContact CD-O 3.14Å; K275-L298 WeakPolarHBondContact CE-O 3.43Å; K275-L298 PolarHBondContact NZ-O 3.03Å; L295-L298 HydrophobicContact CD2-CD1 4.31Å; L295-L298 WeakPolarHBondContact O-CB 3.41Å; L295-L298 PolarHBondContact O-N 2.89Å; L295-L298 VanDerWaalsContact O-N 3.09Å; F296-L298 PolarHBondContact O-N 3.2Å
299	F	96.1	Very high	92.8	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.026	23%	0.226	C	C	.	.			trans	-77.6	137.4	-178.6	-66.6	-78.6	0	0	0	111.5	L128 A130 V271 C286 I288 L295 F296 E297 V316	L128-F299 HydrophobicContact CD1-CD1 4.38Å; L128-F299 HydrophobicContact CD1-CE1 4.07Å; L128-F299 HydrophobicContact CD2-CD1 3.78Å; L128-F299 HydrophobicContact CD2-CE1 3.62Å; L128-F299 HydrophobicContact CD2-CZ 4.29Å; L128-F299 HydrophobicContact CG-CD1 3.57Å; L128-F299 HydrophobicContact CG-CE1 3.65Å; A130-F299 HydrophobicContact CB-CB 4.25Å; A130-F299 HydrophobicContact CB-CD1 3.52Å; A130-F299 HydrophobicContact CB-CD2 4.29Å; A130-F299 HydrophobicContact CB-CE1 4.08Å; A130-F299 HydrophobicContact CB-CG 3.71Å; V271-F299 HydrophobicContact CG1-CE1 4.36Å; V271-F299 HydrophobicContact CG1-CE2 3.97Å; V271-F299 HydrophobicContact CG1-CZ 3.55Å; V271-F299 HydrophobicContact CG2-CZ 4.3Å; C286-F299 WeakPolarHBondContact SG-CE1 3.21Å; I288-F299 HydrophobicContact CD1-CD1 4.46Å; I288-F299 HydrophobicContact CD1-CD2 4.4Å; I288-F299 HydrophobicContact CD1-CE1 3.51Å; I288-F299 HydrophobicContact CD1-CE2 3.4Å; I288-F299 VanDerWaalsContact CD1-CE2 3.4Å; I288-F299 HydrophobicContact CD1-CZ 2.91Å; I288-F299 HydrophobicContact CG1-CZ 4.38Å; L295-F299 VanDerWaalsContact O-CD2 3.29Å; L295-F299 WeakPolarHBondContact O-CD2 3.48Å; L295-F299 WeakPolarHBondContact O-CE2 3.4Å; F296-F299 WeakPolarHBondContact O-CD2 3.49Å; F296-F299 PolarHBondContact O-N 3.42Å; E297-F299 VanDerWaalsContact C-N 3.29Å; E297-F299 PolarHBondContact O-N 3Å; F299-V316 HydrophobicContact CB-CG2 3.75Å; F299-V316 WeakPolarHBondContact O-CG2 3.45Å
300	D	95.7	Very high	93.3	Very high	52 Å²	52	42.1 Å²	42.1	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	-80.8	-44.9	176	-63.5	-60.9	0	0	0	110.5	D127 L128 K275 K315 V316	D127-D300 HydrophobicContact CB-CB 4.16Å; L128-D300 PolarHBondContact N-OD2 3.47Å; L128-D300 PolarHBondContact O-N 3Å; K275-D300 IonicContact NZ-OD1 3.66Å; K275-D300 PolarHBondContact NZ-OD1 2.96Å; K275-D300 IonicContact NZ-OD2 2.71Å; K275-D300 PolarHBondContact NZ-OD2 2.89Å; D300-K315 WeakPolarHBondContact O-CA 3.37Å; D300-V316 PolarHBondContact O-N 3.28Å
301	K	95.9	Very high	93.8	Very high	51 Å²	51	37.1 Å²	37.1	22%	0.222	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.3	-175.4	-71.3	179.1	175.1	167.6	0	111.1	T124 D127 L128 V129 A130 G314	T124-K301 PolarHBondContact OG1-NZ 3.25Å; D127-K301 HydrophobicContact CB-CD 4.31Å; D127-K301 WeakPolarHBondContact OD2-CD 3.16Å; D127-K301 WeakPolarHBondContact OD2-CE 3.37Å; D127-K301 IonicContact OD2-NZ 3.25Å; D127-K301 PolarHBondContact OD2-NZ 3.1Å; L128-K301 PolarHBondContact O-N 2.9Å; V129-K301 WeakPolarHBondContact CA-O 3.16Å; V129-K301 HydrophobicContact CG1-CB 4.36Å; V129-K301 HydrophobicContact CG2-CB 4.2Å; A130-K301 PolarHBondContact N-O 2.91Å; K301-G314 CarbonylContact C-O 3.59Å; K301-G314 VanDerWaalsContact CA-O 3.25Å; K301-G314 WeakPolarHBondContact CA-O 3.48Å
302	L	96.2	Very high	93.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.2	178.4	-179.6	66.9	0	0	0	109.4	A130 M132 F296 V304 Y312 R313 G314 V316 L319	A130-L302 HydrophobicContact CB-CD1 4.02Å; A130-L302 WeakPolarHBondContact O-CA 3.18Å; M132-L302 HydrophobicContact CB-CD1 4.01Å; M132-L302 HydrophobicContact CG-CD1 3.71Å; M132-L302 HydrophobicContact SD-CD1 3.55Å; M132-L302 VanDerWaalsContact SD-CD1 3.55Å; F296-L302 HydrophobicContact CE2-CD1 4.16Å; F296-L302 HydrophobicContact CE2-CD2 3.98Å; F296-L302 HydrophobicContact CZ-CD2 3.9Å; L302-V304 HydrophobicContact CD1-CG2 4.02Å; L302-V304 HydrophobicContact CD2-CG2 3.6Å; L302-V304 HydrophobicContact CG-CG2 3.56Å; L302-Y312 HydrophobicContact CB-CD1 4.23Å; L302-Y312 HydrophobicContact CB-CE1 4.03Å; L302-Y312 HydrophobicContact CD2-CD1 3.82Å; L302-Y312 HydrophobicContact CD2-CE1 3.99Å; L302-Y312 HydrophobicContact CG-CD1 4.07Å; L302-Y312 HydrophobicContact CG-CE1 4.31Å; L302-R313 WeakPolarHBondContact O-CA 3.37Å; L302-G314 PolarHBondContact N-O 3.13Å; L302-G314 PolarHBondContact O-N 3.17Å; L302-V316 HydrophobicContact CB-CG2 4.1Å; L302-L319 HydrophobicContact CD2-CD1 4.33Å; L302-L319 HydrophobicContact CD2-CD2 3.83Å
303	Y	96.3	Very high	94	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	109.5	173.7	-166.2	-82.3	0	0	0	108.6	F94 S120 F123 A130 I131 M132 L142 L305 C310 R313	F94-Y303 HydrophobicContact CE2-CE2 4.29Å; F94-Y303 AromaticContact CE2-CZ 3.98Å; F94-Y303 WeakPolarHBondContact CE2-OH 3.46Å; F94-Y303 HydrophobicContact CZ-CD2 4.45Å; F94-Y303 HydrophobicContact CZ-CE1 4.47Å; F94-Y303 AromaticContact CZ-CE2 3.73Å; F94-Y303 HydrophobicContact CZ-CE2 3.73Å; F94-Y303 AromaticContact CZ-CZ 3.75Å; S120-Y303 PolarHBondContact O-OH 2.95Å; F123-Y303 HydrophobicContact CE1-CD2 4.03Å; F123-Y303 HydrophobicContact CE1-CG 4.3Å; F123-Y303 HydrophobicContact CZ-CD2 4.24Å; F123-Y303 HydrophobicContact CZ-CG 4.24Å; A130-Y303 PolarHBondContact O-N 3.15Å; I131-Y303 VanDerWaalsContact CA-O 3.31Å; I131-Y303 WeakPolarHBondContact CA-O 3.42Å; M132-Y303 PolarHBondContact N-O 3.13Å; L142-Y303 HydrophobicContact CD2-CD1 4.16Å; L142-Y303 HydrophobicContact CD2-CE1 3.83Å; Y303-L305 HydrophobicContact CD1-CD2 4.41Å; Y303-L305 HydrophobicContact CD1-CG 4.19Å; Y303-L305 HydrophobicContact CE1-CD2 3.71Å; Y303-L305 HydrophobicContact CE1-CG 3.96Å; Y303-C310 HydrophobicContact CE1-CB 4.32Å; Y303-R313 HydrophobicContact CD2-CB 3.8Å; Y303-R313 HydrophobicContact CE2-CB 4.02Å
304	V	95.7	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126	-173.4	-166.5	0	0	0	0	110.6	M132 L302 C310 I311 Y312 I340	M132-V304 WeakPolarHBondContact O-CA 3.03Å; L302-V304 HydrophobicContact CD1-CG2 4.02Å; L302-V304 HydrophobicContact CD2-CG2 3.6Å; L302-V304 HydrophobicContact CG-CG2 3.56Å; V304-C310 WeakPolarHBondContact O-CA 3.32Å; V304-I311 HydrophobicContact CB-CD1 4.25Å; V304-I311 HydrophobicContact CB-CG1 3.71Å; V304-I311 HydrophobicContact CG1-CD1 3.59Å; V304-I311 HydrophobicContact CG1-CG1 3.61Å; V304-I311 PolarHBondContact O-N 3.44Å; V304-Y312 HydrophobicContact CG2-CD1 4.15Å; V304-Y312 PolarHBondContact N-O 3.14Å; V304-I340 HydrophobicContact CG1-CG1 4.07Å; V304-I340 HydrophobicContact CG2-CG1 4.16Å
305	L	94.6	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.4	176.8	-72.3	172.9	0	0	0	110.9	I119 I131 M132 G133 P134 A137 L142 Y303 Q309	I119-L305 HydrophobicContact CD1-CD2 4.33Å; I119-L305 HydrophobicContact CG2-CD2 4.29Å; I131-L305 HydrophobicContact CG2-CD1 4.21Å; M132-L305 PolarHBondContact O-N 3.39Å; G133-L305 WeakPolarHBondContact CA-O 3.3Å; P134-L305 WeakPolarHBondContact CD-O 3.28Å; A137-L305 HydrophobicContact CB-CB 4.17Å; A137-L305 WeakPolarHBondContact CB-O 3.19Å; L142-L305 HydrophobicContact CB-CD1 4.21Å; L142-L305 HydrophobicContact CD2-CD1 3.83Å; Y303-L305 HydrophobicContact CD1-CD2 4.41Å; Y303-L305 HydrophobicContact CD1-CG 4.19Å; Y303-L305 HydrophobicContact CE1-CD2 3.71Å; Y303-L305 HydrophobicContact CE1-CG 3.96Å; L305-Q309 CarbonylContact C-O 3.54Å; L305-Q309 VanDerWaalsContact CA-O 3.3Å; L305-Q309 WeakPolarHBondContact CA-O 3.26Å; L305-Q309 WeakPolarHBondContact CD2-O 3.1Å
306	S	93.6	Very high	94.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.5	162	-169.6	0	0	0	0	110.1	G308 Q309 A344 M352	S306-G308 PolarHBondContact O-N 3.45Å; S306-Q309 PolarHBondContact N-O 2.89Å; S306-Q309 PolarHBondContact O-N 3.12Å; S306-A344 PolarHBondContact OG-O 3.32Å; S306-M352 WeakPolarHBondContact CB-SD 3.37Å; S306-M352 PolarHBondContact OG-SD 2.92Å
307	Q	90.8	Very high	94.3	Very high	127 Å²	127	39.8 Å²	39.8	59%	0.593	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.7	35.7	-179.7	-53.1	-174.6	18.4	0	0	115.1	K117 Q309	K117-Q307 WeakPolarHBondContact CE-O 3.4Å; K117-Q307 PolarHBondContact NZ-O 2.97Å; K117-Q307 VanDerWaalsContact NZ-O 3.11Å; Q307-Q309 VanDerWaalsContact C-N 3.35Å
308	G	91.6	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	6.2	-179.3	0	0	0	0	0	115.8	L115 K117 I119 A137 S306	L115-G308 WeakPolarHBondContact O-CA 3.17Å; K117-G308 PolarHBondContact N-O 3.29Å; I119-G308 WeakPolarHBondContact CG2-O 3.27Å; A137-G308 WeakPolarHBondContact O-CA 3.4Å; A137-G308 PolarHBondContact O-N 3.1Å; A137-G308 VanDerWaalsContact O-N 3.15Å; S306-G308 PolarHBondContact O-N 3.45Å
309	Q	93.8	Very high	94.3	Very high	56 Å²	56	33.3 Å²	33.3	26%	0.262	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	154.1	178.1	-69.6	174.7	-44.5	0	0	111.1	K117 L305 S306 Q307 V356	K117-Q309 HydrophobicContact CB-CG 3.83Å; K117-Q309 HydrophobicContact CD-CG 3.89Å; K117-Q309 HydrophobicContact CG-CG 4.41Å; L305-Q309 CarbonylContact C-O 3.54Å; L305-Q309 VanDerWaalsContact CA-O 3.3Å; L305-Q309 WeakPolarHBondContact CA-O 3.26Å; L305-Q309 WeakPolarHBondContact CD2-O 3.1Å; S306-Q309 PolarHBondContact N-O 2.89Å; S306-Q309 PolarHBondContact O-N 3.12Å; Q307-Q309 VanDerWaalsContact C-N 3.35Å; Q309-V356 HydrophobicContact CB-CG2 3.84Å
310	C	94.5	Very high	94.3	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.081	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.1	174.3	-176.4	0	0	0	0	109.9	I119 Y303 V304 Y312 V359	I119-C310 HydrophobicContact CG2-CB 4.41Å; Y303-C310 HydrophobicContact CE1-CB 4.32Å; V304-C310 WeakPolarHBondContact O-CA 3.32Å; C310-Y312 PolarHBondContact SG-O 2.59Å; C310-V359 HydrophobicContact CB-CG1 4.45Å
311	I	94.1	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-19.7	179.7	67.2	171.5	0	0	0	112.8	V304 Y322 I340 A344 M352 L355 V356 V359	V304-I311 HydrophobicContact CB-CD1 4.25Å; V304-I311 HydrophobicContact CB-CG1 3.71Å; V304-I311 HydrophobicContact CG1-CD1 3.59Å; V304-I311 HydrophobicContact CG1-CG1 3.61Å; V304-I311 PolarHBondContact O-N 3.44Å; I311-Y322 PolarHBondContact O-OH 3.35Å; I311-I340 HydrophobicContact CD1-CD1 4.16Å; I311-A344 HydrophobicContact CD1-CB 3.61Å; I311-M352 HydrophobicContact CB-CE 4.42Å; I311-M352 HydrophobicContact CD1-CE 3.96Å; I311-M352 HydrophobicContact CG2-CE 3.68Å; I311-M352 HydrophobicContact CG2-SD 4.25Å; I311-L355 HydrophobicContact CB-CB 4.06Å; I311-L355 HydrophobicContact CG2-CB 4.47Å; I311-V356 HydrophobicContact CG2-CG2 4.15Å; I311-V359 WeakPolarHBondContact O-CG2 3.35Å
312	Y	94.6	Very high	94.1	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	139.7	172.8	179.3	-105.7	0	0	0	110.4	L302 V304 C310 K315 S318 L319 Y322	L302-Y312 HydrophobicContact CB-CD1 4.23Å; L302-Y312 HydrophobicContact CB-CE1 4.03Å; L302-Y312 HydrophobicContact CD2-CD1 3.82Å; L302-Y312 HydrophobicContact CD2-CE1 3.99Å; L302-Y312 HydrophobicContact CG-CD1 4.07Å; L302-Y312 HydrophobicContact CG-CE1 4.31Å; V304-Y312 HydrophobicContact CG2-CD1 4.15Å; V304-Y312 PolarHBondContact N-O 3.14Å; C310-Y312 PolarHBondContact SG-O 2.59Å; Y312-K315 PolarHBondContact OH-O 3.09Å; Y312-S318 VanDerWaalsContact OH-C 3.28Å; Y312-S318 WeakPolarHBondContact OH-CB 3.34Å; Y312-L319 HydrophobicContact CD1-CD1 3.8Å; Y312-L319 HydrophobicContact CD2-CD1 4.13Å; Y312-L319 HydrophobicContact CE1-CB 4.18Å; Y312-L319 HydrophobicContact CE1-CD1 3.93Å; Y312-L319 HydrophobicContact CE2-CD1 4.25Å; Y312-L319 HydrophobicContact CG-CD1 3.88Å; Y312-L319 PolarHBondContact OH-N 3.33Å; Y312-Y322 AromaticContact CD2-CD1 3.3Å; Y312-Y322 HydrophobicContact CD2-CD1 3.3Å; Y312-Y322 HydrophobicContact CD2-CD2 4.45Å; Y312-Y322 AromaticContact CD2-CE1 3.49Å; Y312-Y322 HydrophobicContact CD2-CE1 3.49Å; Y312-Y322 VanDerWaalsContact CD2-CE1 3.49Å; Y312-Y322 AromaticContact CD2-CG 3.8Å; Y312-Y322 HydrophobicContact CD2-CG 3.8Å; Y312-Y322 AromaticContact CE2-CD1 3.7Å; Y312-Y322 HydrophobicContact CE2-CD1 3.7Å; Y312-Y322 HydrophobicContact CE2-CE1 4.32Å; Y312-Y322 AromaticContact CE2-CG 3.78Å; Y312-Y322 HydrophobicContact CE2-CG 3.78Å; Y312-Y322 HydrophobicContact CG-CD1 4.3Å; Y312-Y322 HydrophobicContact CG-CE1 4.29Å
313	R	93.4	Very high	93.9	Very high	54 Å²	54	33.6 Å²	33.6	20%	0.204	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	131.2	169.3	66.1	-176.2	-162.3	176.2	8.1	108.5	S120 L302 Y303 V359 K363 E366	S120-R313 PolarHBondContact O-NH1 3.2Å; L302-R313 WeakPolarHBondContact O-CA 3.37Å; Y303-R313 HydrophobicContact CD2-CB 3.8Å; Y303-R313 HydrophobicContact CE2-CB 4.02Å; R313-V359 HydrophobicContact CG-CG1 4.29Å; R313-K363 VanDerWaalsContact NH2-CB 3.33Å; R313-E366 IonicContact CZ-OE2 3.81Å; R313-E366 IonicContact NE-OE2 2.94Å; R313-E366 IonicContact NH2-OE2 2.65Å; R313-E366 PolarHBondContact NH2-OE2 2.99Å
314	G	92.7	Very high	93.7	Very high	29 Å²	29	39.3 Å²	39.3	30%	0.299	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-164.2	-179.7	0	0	0	0	0	113.6	K301 L302	K301-G314 CarbonylContact C-O 3.59Å; K301-G314 VanDerWaalsContact CA-O 3.25Å; K301-G314 WeakPolarHBondContact CA-O 3.48Å; L302-G314 PolarHBondContact N-O 3.13Å; L302-G314 PolarHBondContact O-N 3.17Å
315	K	94.7	Very high	93.5	Very high	132 Å²	132	45.6 Å²	45.6	57%	0.574	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	149.3	175.1	-66.6	-177.1	-179.7	176.9	0	111	D300 Y312 S317 S318	D300-K315 WeakPolarHBondContact O-CA 3.37Å; Y312-K315 PolarHBondContact OH-O 3.09Å; K315-S317 VanDerWaalsContact C-N 3.31Å; K315-S317 PolarHBondContact O-N 2.57Å; K315-S318 PolarHBondContact O-N 2.86Å
316	V	94.4	Very high	93.2	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.109	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.1	-41.7	176.3	171.5	0	0	0	0	111.8	F296 F299 D300 L302 S318 L319	F296-V316 HydrophobicContact CD1-CG1 3.9Å; F296-V316 HydrophobicContact CE1-CG1 3.47Å; F296-V316 VanDerWaalsContact CE1-CG1 3.47Å; F296-V316 HydrophobicContact CE2-CG1 4.32Å; F296-V316 HydrophobicContact CG-CG1 4.49Å; F296-V316 HydrophobicContact CZ-CG1 3.72Å; F299-V316 HydrophobicContact CB-CG2 3.75Å; F299-V316 WeakPolarHBondContact O-CG2 3.45Å; D300-V316 PolarHBondContact O-N 3.28Å; L302-V316 HydrophobicContact CB-CG2 4.1Å; V316-S318 PolarHBondContact O-N 2.84Å; V316-S318 VanDerWaalsContact O-N 3.14Å; V316-L319 WeakPolarHBondContact O-CB 3.31Å; V316-L319 PolarHBondContact O-N 3.37Å; V316-L319 VanDerWaalsContact O-N 3.15Å
317	S	93.9	Very high	93	Very high	94 Å²	94	51 Å²	51	66%	0.657	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-60.6	-24	178.9	58.5	0	0	0	0	114.2	K315	K315-S317 VanDerWaalsContact C-N 3.31Å; K315-S317 PolarHBondContact O-N 2.57Å
318	S	94.2	Very high	93.1	Very high	56 Å²	56	45.8 Å²	45.8	39%	0.392	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-90.4	-3.8	-177.3	-59.6	0	0	0	0	113.4	Y312 K315 V316 Y322	Y312-S318 VanDerWaalsContact OH-C 3.28Å; Y312-S318 WeakPolarHBondContact OH-CB 3.34Å; K315-S318 PolarHBondContact O-N 2.86Å; V316-S318 PolarHBondContact O-N 2.84Å; V316-S318 VanDerWaalsContact O-N 3.14Å; S318-Y322 VanDerWaalsContact O-CB 3.28Å; S318-Y322 WeakPolarHBondContact O-CB 3.27Å; S318-Y322 PolarHBondContact O-N 3.24Å; S318-Y322 VanDerWaalsContact O-N 3.1Å
319	L	94.4	Very high	93	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-50.7	-176.9	176.2	64.9	0	0	0	112.3	F296 L302 Y312 V316 Y322 L323 P336 I340	F296-L319 HydrophobicContact CE1-CD2 4.22Å; F296-L319 HydrophobicContact CZ-CD2 3.73Å; L302-L319 HydrophobicContact CD2-CD1 4.33Å; L302-L319 HydrophobicContact CD2-CD2 3.83Å; Y312-L319 HydrophobicContact CD1-CD1 3.8Å; Y312-L319 HydrophobicContact CD2-CD1 4.13Å; Y312-L319 HydrophobicContact CE1-CB 4.18Å; Y312-L319 HydrophobicContact CE1-CD1 3.93Å; Y312-L319 HydrophobicContact CE2-CD1 4.25Å; Y312-L319 HydrophobicContact CG-CD1 3.88Å; Y312-L319 PolarHBondContact OH-N 3.33Å; V316-L319 WeakPolarHBondContact O-CB 3.31Å; V316-L319 PolarHBondContact O-N 3.37Å; V316-L319 VanDerWaalsContact O-N 3.15Å; L319-Y322 WeakPolarHBondContact O-CB 3.45Å; L319-Y322 PolarHBondContact O-N 2.93Å; L319-L323 HydrophobicContact CD1-CD1 3.98Å; L319-L323 HydrophobicContact CD1-CG 4.18Å; L319-L323 HydrophobicContact CG-CD1 4.08Å; L319-L323 WeakPolarHBondContact O-CG 3.37Å; L319-L323 PolarHBondContact O-N 3.21Å; L319-P336 HydrophobicContact CD2-CB 4.3Å; L319-I340 HydrophobicContact CD1-CB 4.47Å; L319-I340 HydrophobicContact CD1-CD1 4.28Å; L319-I340 HydrophobicContact CD1-CG1 4.26Å; L319-I340 HydrophobicContact CD2-CB 4.27Å; L319-I340 HydrophobicContact CD2-CG2 4.18Å
320	V	94.4	Very high	92.9	Very high	52 Å²	52	49.6 Å²	49.6	32%	0.315	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-46.9	-177.2	177.2	0	0	0	0	111.5	Y322 L323 Q324 C330 P336	V320-Y322 VanDerWaalsContact C-N 3.33Å; V320-Y322 PolarHBondContact O-N 3.1Å; V320-L323 PolarHBondContact O-N 3.5Å; V320-Q324 WeakPolarHBondContact O-CB 3.45Å; V320-Q324 PolarHBondContact O-N 2.86Å; V320-C330 HydrophobicContact CG1-CB 4.3Å; V320-P336 HydrophobicContact CG2-CB 3.9Å; V320-P336 HydrophobicContact CG2-CG 3.91Å
321	P	94.4	Very high	92.8	Very high	62 Å²	62	50.9 Å²	50.9	40%	0.403	30%	0.295	S	S	.	.	H	α-helix	trans	-57	-42.9	172.6	-26.4	34.6	0	0	0	113.5	L323 Q324 E325	P321-L323 VanDerWaalsContact C-N 3.34Å; P321-L323 PolarHBondContact O-N 2.75Å; P321-Q324 PolarHBondContact O-N 3.25Å; P321-E325 WeakPolarHBondContact O-CG 3.28Å; P321-E325 PolarHBondContact O-N 3.39Å
322	Y	92.9	Very high	92.5	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-43	177.6	167.5	-105.5	0	0	0	112.7	I311 Y312 S318 L319 V320 E325 L326 L355 A358 R362	I311-Y322 PolarHBondContact O-OH 3.35Å; Y312-Y322 AromaticContact CD2-CD1 3.3Å; Y312-Y322 HydrophobicContact CD2-CD1 3.3Å; Y312-Y322 HydrophobicContact CD2-CD2 4.45Å; Y312-Y322 AromaticContact CD2-CE1 3.49Å; Y312-Y322 HydrophobicContact CD2-CE1 3.49Å; Y312-Y322 VanDerWaalsContact CD2-CE1 3.49Å; Y312-Y322 AromaticContact CD2-CG 3.8Å; Y312-Y322 HydrophobicContact CD2-CG 3.8Å; Y312-Y322 AromaticContact CE2-CD1 3.7Å; Y312-Y322 HydrophobicContact CE2-CD1 3.7Å; Y312-Y322 HydrophobicContact CE2-CE1 4.32Å; Y312-Y322 AromaticContact CE2-CG 3.78Å; Y312-Y322 HydrophobicContact CE2-CG 3.78Å; Y312-Y322 HydrophobicContact CG-CD1 4.3Å; Y312-Y322 HydrophobicContact CG-CE1 4.29Å; S318-Y322 VanDerWaalsContact O-CB 3.28Å; S318-Y322 WeakPolarHBondContact O-CB 3.27Å; S318-Y322 PolarHBondContact O-N 3.24Å; S318-Y322 VanDerWaalsContact O-N 3.1Å; L319-Y322 WeakPolarHBondContact O-CB 3.45Å; L319-Y322 PolarHBondContact O-N 2.93Å; V320-Y322 VanDerWaalsContact C-N 3.33Å; V320-Y322 PolarHBondContact O-N 3.1Å; Y322-E325 PolarHBondContact O-N 3.03Å; Y322-L326 HydrophobicContact CD1-CD1 4.44Å; Y322-L326 HydrophobicContact CD2-CD1 4.34Å; Y322-L326 HydrophobicContact CE1-CD1 3.85Å; Y322-L326 HydrophobicContact CE2-CD1 3.77Å; Y322-L326 PolarHBondContact O-N 2.91Å; Y322-L355 HydrophobicContact CE1-CD2 3.7Å; Y322-L355 PolarHBondContact OH-O 3.42Å; Y322-A358 HydrophobicContact CE2-CB 4.16Å; Y322-R362 VanDerWaalsContact CD2-NH1 3.28Å
323	L	92.7	Very high	92.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-40.5	177.6	-68.3	176.5	0	0	0	111.3	L319 V320 P321 E325 L326 G327 L328 F339 I340 L355	L319-L323 HydrophobicContact CD1-CD1 3.98Å; L319-L323 HydrophobicContact CD1-CG 4.18Å; L319-L323 HydrophobicContact CG-CD1 4.08Å; L319-L323 WeakPolarHBondContact O-CG 3.37Å; L319-L323 PolarHBondContact O-N 3.21Å; V320-L323 PolarHBondContact O-N 3.5Å; P321-L323 VanDerWaalsContact C-N 3.34Å; P321-L323 PolarHBondContact O-N 2.75Å; L323-E325 PolarHBondContact O-N 3.35Å; L323-L326 CarbonylContact O-C 3.55Å; L323-L326 PolarHBondContact O-N 3.26Å; L323-L326 VanDerWaalsContact O-N 3.09Å; L323-G327 PolarHBondContact O-N 3.24Å; L323-L328 CarbonylContact C-O 3.47Å; L323-L328 HydrophobicContact CB-CB 4.06Å; L323-L328 WeakPolarHBondContact CB-O 3.32Å; L323-L328 HydrophobicContact CD2-CD1 3.98Å; L323-L328 CarbonylContact O-C 3.54Å; L323-L328 WeakPolarHBondContact O-CA 3.25Å; L323-L328 WeakPolarHBondContact O-CB 3.2Å; L323-L328 PolarHBondContact O-N 3.5Å; L323-F339 HydrophobicContact CB-CE1 4.44Å; L323-F339 HydrophobicContact CD1-CD1 3.64Å; L323-F339 HydrophobicContact CD1-CE1 3.83Å; L323-I340 HydrophobicContact CD1-CD1 4.23Å; L323-I340 HydrophobicContact CD2-CD1 3.92Å; L323-L355 HydrophobicContact CD2-CD2 4.22Å
324	Q	92.9	Very high	92.3	Very high	123 Å²	123	66.5 Å²	66.5	58%	0.575	37%	0.373	S	S	*	.	H	α-helix	trans	-61.7	-40.3	177	-175.2	172.5	1.6	0	0	112.5	V320 P321 L326 G327 L328	V320-Q324 WeakPolarHBondContact O-CB 3.45Å; V320-Q324 PolarHBondContact O-N 2.86Å; P321-Q324 PolarHBondContact O-N 3.25Å; Q324-L326 PolarHBondContact O-N 3.25Å; Q324-G327 PolarHBondContact O-N 2.89Å; Q324-L328 PolarHBondContact N-O 2.91Å
325	E	90.8	Very high	92.3	Very high	133 Å²	133	66.1 Å²	66.1	62%	0.621	37%	0.365	S	S	*	.	H	α-helix	trans	-60.2	-30.1	174.5	-74.5	169.9	179	0	0	112.9	P321 Y322 L323 G327 R362	P321-E325 WeakPolarHBondContact O-CG 3.28Å; P321-E325 PolarHBondContact O-N 3.39Å; Y322-E325 PolarHBondContact O-N 3.03Å; L323-E325 PolarHBondContact O-N 3.35Å; E325-G327 VanDerWaalsContact C-N 3.3Å; E325-R362 IonicContact OE2-CZ 3.24Å; E325-R362 IonicContact OE2-NH2 3.21Å; E325-R362 PolarHBondContact OE2-NH2 2.83Å
326	L	89.1	Confident	92.3	Very high	56 Å²	56	61.5 Å²	61.5	29%	0.293	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	7.3	177.3	-63.9	174.7	0	0	0	113.2	Y322 L323 Q324 L355 A358	Y322-L326 HydrophobicContact CD1-CD1 4.44Å; Y322-L326 HydrophobicContact CD2-CD1 4.34Å; Y322-L326 HydrophobicContact CE1-CD1 3.85Å; Y322-L326 HydrophobicContact CE2-CD1 3.77Å; Y322-L326 PolarHBondContact O-N 2.91Å; L323-L326 CarbonylContact O-C 3.55Å; L323-L326 PolarHBondContact O-N 3.26Å; L323-L326 VanDerWaalsContact O-N 3.09Å; Q324-L326 PolarHBondContact O-N 3.25Å; L326-L355 HydrophobicContact CD1-CD2 3.42Å; L326-L355 VanDerWaalsContact CD1-CD2 3.42Å; L326-L355 HydrophobicContact CD1-CG 4.3Å; L326-A358 HydrophobicContact CD1-CB 4.22Å; L326-A358 HydrophobicContact CD2-CB 4.04Å
327	G	89.6	Confident	92.3	Very high	60 Å²	60	60.7 Å²	60.7	62%	0.619	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	13.7	-179.4	0	0	0	0	0	114.4	L323 Q324 E325	L323-G327 PolarHBondContact O-N 3.24Å; Q324-G327 PolarHBondContact O-N 2.89Å; E325-G327 VanDerWaalsContact C-N 3.3Å
328	L	91.1	Very high	92.2	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.084	32%	0.323	C	S	.	.			trans	-101.6	94.9	177	-65.1	170.1	0	0	0	109.9	L323 Q324 C330 F339 V343 Q351	L323-L328 CarbonylContact C-O 3.47Å; L323-L328 HydrophobicContact CB-CB 4.06Å; L323-L328 WeakPolarHBondContact CB-O 3.32Å; L323-L328 HydrophobicContact CD2-CD1 3.98Å; L323-L328 CarbonylContact O-C 3.54Å; L323-L328 WeakPolarHBondContact O-CA 3.25Å; L323-L328 WeakPolarHBondContact O-CB 3.2Å; L323-L328 PolarHBondContact O-N 3.5Å; Q324-L328 PolarHBondContact N-O 2.91Å; L328-C330 PolarHBondContact O-N 3.38Å; L328-F339 HydrophobicContact CB-CE1 4.16Å; L328-F339 HydrophobicContact CB-CZ 4.24Å; L328-V343 HydrophobicContact CD1-CG1 3.77Å; L328-V343 HydrophobicContact CD1-CG2 4.21Å; L328-V343 HydrophobicContact CD2-CG2 4.44Å; L328-Q351 HydrophobicContact CD2-CG 4.4Å
329	N	91.3	Very high	92.2	Very high	111 Å²	111	55.8 Å²	55.8	59%	0.594	31%	0.305	S	S	*	.			trans	-85.1	111.3	-179.5	-68.5	-16.1	0	0	0	110.9	P331	N329-P331 WeakPolarHBondContact O-CD 3.49Å
330	C	90.9	Very high	92.2	Very high	25 Å²	25	55.8 Å²	55.8	17%	0.169	31%	0.305	C	S	.	.			trans	-74.1	121.7	172.7	-172.8	0	0	0	0	110	V320 L328 F339	V320-C330 HydrophobicContact CG1-CB 4.3Å; L328-C330 PolarHBondContact O-N 3.38Å; C330-F339 HydrophobicContact CB-CD1 3.65Å; C330-F339 HydrophobicContact CB-CE1 3.83Å; C330-F339 HydrophobicContact CB-CG 4.06Å; C330-F339 HydrophobicContact CB-CZ 4.37Å
331	P	91.6	Very high	92.1	Very high	39 Å²	39	53.6 Å²	53.6	25%	0.253	29%	0.291	S	S	.	.			trans	-62	148.5	173.4	-20.1	32.1	0	0	0	111.7	N329 Y333 H334	N329-P331 WeakPolarHBondContact O-CD 3.49Å; P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 HydrophobicContact CB-CD1 4.14Å; P331-Y333 HydrophobicContact CB-CD2 4.42Å; P331-Y333 HydrophobicContact CB-CE1 3.7Å; P331-Y333 HydrophobicContact CB-CE2 4Å; P331-Y333 HydrophobicContact CB-CG 4.49Å; P331-Y333 PolarHBondContact O-N 2.84Å; P331-H334 HydrophobicContact CB-CB 4.09Å; P331-H334 HydrophobicContact CG-CB 4.27Å; P331-H334 PolarHBondContact O-N 3.13Å; P331-H334 VanDerWaalsContact O-N 3.13Å
332	T	88.9	Confident	92	Very high	146 Å²	146	52.7 Å²	52.7	90%	0.896	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.7	-176.9	51.5	0	0	0	0	114.3	H334	T332-H334 VanDerWaalsContact C-N 3.33Å
333	Y	90.1	Very high	91.9	Very high	199 Å²	199	52.6 Å²	52.6	78%	0.78	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.4	177.4	55.7	-96.2	0	0	0	112.9	P331	P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 HydrophobicContact CB-CD1 4.14Å; P331-Y333 HydrophobicContact CB-CD2 4.42Å; P331-Y333 HydrophobicContact CB-CE1 3.7Å; P331-Y333 HydrophobicContact CB-CE2 4Å; P331-Y333 HydrophobicContact CB-CG 4.49Å; P331-Y333 PolarHBondContact O-N 2.84Å
334	H	92.7	Very high	91.8	Very high	42 Å²	42	52.8 Å²	52.8	19%	0.194	28%	0.283	C	S	.	.	S	Bend	trans	-101.5	142	-179.2	-162.1	-76.6	0	0	0	110	P331 T332 P336 F339 E342	P331-H334 HydrophobicContact CB-CB 4.09Å; P331-H334 HydrophobicContact CG-CB 4.27Å; P331-H334 PolarHBondContact O-N 3.13Å; P331-H334 VanDerWaalsContact O-N 3.13Å; T332-H334 VanDerWaalsContact C-N 3.33Å; H334-P336 WeakPolarHBondContact O-CD 3.47Å; H334-F339 PolarHBondContact CE1-N 3.04Å; H334-F339 VanDerWaalsContact CE1-N 3.26Å; H334-E342 IonicContact CE1-OE1 3.77Å; H334-E342 PolarHBondContact CE1-OE1 3.32Å; H334-E342 VanDerWaalsContact CE1-OE1 3.23Å; H334-E342 IonicContact CE1-OE2 3.25Å; H334-E342 IonicContact NE2-OE1 3.53Å; H334-E342 PolarHBondContact NE2-OE1 3.01Å; H334-E342 IonicContact NE2-OE2 2.84Å; H334-E342 PolarHBondContact NE2-OE2 3.17Å
335	N	93.8	Very high	91.7	Very high	21 Å²	21	50.2 Å²	50.2	11%	0.112	28%	0.279	C	S	.	.			trans	-74.7	121.2	179.8	175.6	10.5	0	0	0	109.1	P291 A337 D338 F339	P291-N335 PolarHBondContact O-ND2 2.94Å; N335-A337 PolarHBondContact O-N 3.31Å; N335-A337 WeakPolarHBondContact OD1-CB 3.49Å; N335-A337 PolarHBondContact OD1-N 2.93Å; N335-D338 HydrophobicContact CB-CB 4.15Å; N335-D338 VanDerWaalsContact CB-OD2 3.25Å; N335-D338 WeakPolarHBondContact CB-OD2 3.17Å; N335-D338 PolarHBondContact ND2-OD2 3.2Å; N335-D338 WeakPolarHBondContact O-CA 3.3Å; N335-D338 PolarHBondContact O-N 3.45Å; N335-F339 PolarHBondContact O-N 3.41Å
336	P	94.1	Very high	91.5	Very high	35 Å²	35	45.7 Å²	45.7	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-30.1	-178.7	-26.5	34.9	0	0	0	113.7	F296 L319 V320 H334 I340	F296-P336 HydrophobicContact CE1-CB 3.99Å; L319-P336 HydrophobicContact CD2-CB 4.3Å; V320-P336 HydrophobicContact CG2-CB 3.9Å; V320-P336 HydrophobicContact CG2-CG 3.91Å; H334-P336 WeakPolarHBondContact O-CD 3.47Å; P336-I340 WeakPolarHBondContact O-CG2 3.35Å; P336-I340 PolarHBondContact O-N 3.41Å; P336-I340 VanDerWaalsContact O-N 3.11Å
337	A	93.6	Very high	91.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-36.8	176	0	0	0	0	0	112.6	M132 P291 F296 N335 I340 M341	M132-A337 HydrophobicContact CE-CB 4.09Å; P291-A337 HydrophobicContact CG-CB 4.01Å; F296-A337 HydrophobicContact CB-CB 4.19Å; F296-A337 HydrophobicContact CD1-CB 4.1Å; F296-A337 HydrophobicContact CD2-CB 3.65Å; F296-A337 HydrophobicContact CE1-CB 4.37Å; F296-A337 HydrophobicContact CE2-CB 3.96Å; F296-A337 HydrophobicContact CG-CB 3.71Å; F296-A337 HydrophobicContact CZ-CB 4.3Å; N335-A337 PolarHBondContact O-N 3.31Å; N335-A337 WeakPolarHBondContact OD1-CB 3.49Å; N335-A337 PolarHBondContact OD1-N 2.93Å; A337-I340 VanDerWaalsContact O-CG2 3.31Å; A337-I340 WeakPolarHBondContact O-CG2 3.16Å; A337-M341 WeakPolarHBondContact O-CG 3.47Å
338	D	93.7	Very high	91.1	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-76.8	-40.4	175.9	-64.6	-38.4	0	0	0	109.8	N335 I340 M341 E342	N335-D338 HydrophobicContact CB-CB 4.15Å; N335-D338 VanDerWaalsContact CB-OD2 3.25Å; N335-D338 WeakPolarHBondContact CB-OD2 3.17Å; N335-D338 PolarHBondContact ND2-OD2 3.2Å; N335-D338 WeakPolarHBondContact O-CA 3.3Å; N335-D338 PolarHBondContact O-N 3.45Å; D338-I340 PolarHBondContact O-N 2.98Å; D338-M341 CarbonylContact O-C 3.5Å; D338-M341 WeakPolarHBondContact O-CA 3.49Å; D338-M341 WeakPolarHBondContact O-CB 3.27Å; D338-M341 PolarHBondContact O-N 3.23Å; D338-E342 WeakPolarHBondContact O-CG 3.15Å; D338-E342 PolarHBondContact O-N 2.91Å
339	F	94.1	Very high	90.7	Very high	2 Å²	2	52 Å²	52	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-48.1	179.9	-174.3	-110.7	0	0	0	112.2	L323 L328 C330 H334 N335 M341 E342 V343 Y348	L323-F339 HydrophobicContact CB-CE1 4.44Å; L323-F339 HydrophobicContact CD1-CD1 3.64Å; L323-F339 HydrophobicContact CD1-CE1 3.83Å; L328-F339 HydrophobicContact CB-CE1 4.16Å; L328-F339 HydrophobicContact CB-CZ 4.24Å; C330-F339 HydrophobicContact CB-CD1 3.65Å; C330-F339 HydrophobicContact CB-CE1 3.83Å; C330-F339 HydrophobicContact CB-CG 4.06Å; C330-F339 HydrophobicContact CB-CZ 4.37Å; H334-F339 PolarHBondContact CE1-N 3.04Å; H334-F339 VanDerWaalsContact CE1-N 3.26Å; N335-F339 PolarHBondContact O-N 3.41Å; F339-M341 PolarHBondContact O-N 2.94Å; F339-E342 PolarHBondContact O-N 3.44Å; F339-V343 HydrophobicContact CD1-CG2 4.47Å; F339-V343 HydrophobicContact CE1-CG2 4.21Å; F339-V343 HydrophobicContact CZ-CG2 4.26Å; F339-V343 VanDerWaalsContact O-CG2 3.29Å; F339-V343 WeakPolarHBondContact O-CG2 3.16Å; F339-V343 PolarHBondContact O-N 2.88Å; F339-Y348 HydrophobicContact CD2-CE2 4.22Å; F339-Y348 AromaticContact CD2-CZ 3.97Å; F339-Y348 HydrophobicContact CE2-CD1 4.48Å; F339-Y348 AromaticContact CE2-CE1 3.8Å; F339-Y348 HydrophobicContact CE2-CE1 3.8Å; F339-Y348 AromaticContact CE2-CE2 4Å; F339-Y348 HydrophobicContact CE2-CE2 4Å; F339-Y348 AromaticContact CE2-CZ 3.53Å
340	I	93.2	Very high	90.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-29	176.8	-172.9	60.1	0	0	0	112.2	V304 I311 L319 L323 P336 A337 D338 A344	V304-I340 HydrophobicContact CG1-CG1 4.07Å; V304-I340 HydrophobicContact CG2-CG1 4.16Å; I311-I340 HydrophobicContact CD1-CD1 4.16Å; L319-I340 HydrophobicContact CD1-CB 4.47Å; L319-I340 HydrophobicContact CD1-CD1 4.28Å; L319-I340 HydrophobicContact CD1-CG1 4.26Å; L319-I340 HydrophobicContact CD2-CB 4.27Å; L319-I340 HydrophobicContact CD2-CG2 4.18Å; L323-I340 HydrophobicContact CD1-CD1 4.23Å; L323-I340 HydrophobicContact CD2-CD1 3.92Å; P336-I340 WeakPolarHBondContact O-CG2 3.35Å; P336-I340 PolarHBondContact O-N 3.41Å; P336-I340 VanDerWaalsContact O-N 3.11Å; A337-I340 VanDerWaalsContact O-CG2 3.31Å; A337-I340 WeakPolarHBondContact O-CG2 3.16Å; D338-I340 PolarHBondContact O-N 2.98Å; I340-A344 WeakPolarHBondContact O-CB 3.2Å; I340-A344 PolarHBondContact O-N 2.84Å
341	M	92.5	Very high	89.8	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-75.3	-39.2	178.2	-69.6	-70.2	-56.3	0	0	112.1	M132 G133 P134 A337 D338 F339 A344 S345	M132-M341 HydrophobicContact CB-SD 4.41Å; M132-M341 HydrophobicContact CE-CG 3.92Å; M132-M341 HydrophobicContact CE-SD 4.1Å; G133-M341 VanDerWaalsContact CA-SD 3.58Å; G133-M341 PolarHBondContact N-SD 2.81Å; G133-M341 VanDerWaalsContact N-SD 3.42Å; G133-M341 WeakPolarHBondContact O-CE 3.41Å; P134-M341 HydrophobicContact CB-CE 4.48Å; A337-M341 WeakPolarHBondContact O-CG 3.47Å; D338-M341 CarbonylContact O-C 3.5Å; D338-M341 WeakPolarHBondContact O-CA 3.49Å; D338-M341 WeakPolarHBondContact O-CB 3.27Å; D338-M341 PolarHBondContact O-N 3.23Å; F339-M341 PolarHBondContact O-N 2.94Å; M341-A344 PolarHBondContact O-N 3.36Å; M341-S345 WeakPolarHBondContact O-CB 3.47Å; M341-S345 PolarHBondContact O-N 2.93Å; M341-S345 PolarHBondContact O-OG 2.54Å
342	E	91.8	Very high	89.4	Confident	44 Å²	44	52.1 Å²	52.1	21%	0.206	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-46	171.8	-66.8	170.6	-171.9	0	0	110.5	H334 D338 F339 A344 S345 G346 E347 Y348	H334-E342 IonicContact CE1-OE1 3.77Å; H334-E342 PolarHBondContact CE1-OE1 3.32Å; H334-E342 VanDerWaalsContact CE1-OE1 3.23Å; H334-E342 IonicContact CE1-OE2 3.25Å; H334-E342 IonicContact NE2-OE1 3.53Å; H334-E342 PolarHBondContact NE2-OE1 3.01Å; H334-E342 IonicContact NE2-OE2 2.84Å; H334-E342 PolarHBondContact NE2-OE2 3.17Å; D338-E342 WeakPolarHBondContact O-CG 3.15Å; D338-E342 PolarHBondContact O-N 2.91Å; F339-E342 PolarHBondContact O-N 3.44Å; E342-A344 VanDerWaalsContact C-N 3.34Å; E342-A344 PolarHBondContact O-N 3.42Å; E342-S345 PolarHBondContact O-N 3.34Å; E342-S345 VanDerWaalsContact O-N 3.14Å; E342-G346 PolarHBondContact O-N 2.89Å; E342-G346 VanDerWaalsContact O-N 3.14Å; E342-E347 HydrophobicContact CB-CB 4.3Å; E342-E347 PolarHBondContact O-N 3.28Å; E342-E347 VanDerWaalsContact O-N 3.11Å; E342-Y348 HydrophobicContact CB-CD2 4.16Å; E342-Y348 HydrophobicContact CB-CE2 3.65Å; E342-Y348 VanDerWaalsContact OE2-CE2 3.29Å; E342-Y348 WeakPolarHBondContact OE2-CE2 3.41Å; E342-Y348 PolarHBondContact OE2-OH 3.38Å
343	V	91.7	Very high	89.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-45.1	173.5	172.1	0	0	0	0	110.9	L328 F339 S345 G346 Y348 L355	L328-V343 HydrophobicContact CD1-CG1 3.77Å; L328-V343 HydrophobicContact CD1-CG2 4.21Å; L328-V343 HydrophobicContact CD2-CG2 4.44Å; F339-V343 HydrophobicContact CD1-CG2 4.47Å; F339-V343 HydrophobicContact CE1-CG2 4.21Å; F339-V343 HydrophobicContact CZ-CG2 4.26Å; F339-V343 VanDerWaalsContact O-CG2 3.29Å; F339-V343 WeakPolarHBondContact O-CG2 3.16Å; F339-V343 PolarHBondContact O-N 2.88Å; V343-S345 PolarHBondContact O-N 2.99Å; V343-G346 PolarHBondContact O-N 2.78Å; V343-Y348 HydrophobicContact CG2-CD2 3.71Å; V343-Y348 HydrophobicContact CG2-CE2 4.32Å; V343-Y348 HydrophobicContact CG2-CG 4.14Å; V343-L355 HydrophobicContact CG1-CD1 3.71Å
344	A	90.7	Very high	89.2	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-25.1	178.5	0	0	0	0	0	113.5	P134 S306 I311 I340 M341 E342	P134-A344 HydrophobicContact CG-CB 4.33Å; S306-A344 PolarHBondContact OG-O 3.32Å; I311-A344 HydrophobicContact CD1-CB 3.61Å; I340-A344 WeakPolarHBondContact O-CB 3.2Å; I340-A344 PolarHBondContact O-N 2.84Å; M341-A344 PolarHBondContact O-N 3.36Å; E342-A344 VanDerWaalsContact C-N 3.34Å; E342-A344 PolarHBondContact O-N 3.42Å
345	S	89.6	Confident	89.1	Confident	70 Å²	70	46.4 Å²	46.4	49%	0.49	25%	0.251	S	S	.	.	H	α-helix	trans	-88.9	-7.5	178.9	-55	0	0	0	0	113	M341 E342 V343	M341-S345 WeakPolarHBondContact O-CB 3.47Å; M341-S345 PolarHBondContact O-N 2.93Å; M341-S345 PolarHBondContact O-OG 2.54Å; E342-S345 PolarHBondContact O-N 3.34Å; E342-S345 VanDerWaalsContact O-N 3.14Å; V343-S345 PolarHBondContact O-N 2.99Å
346	G	87.7	Confident	88.9	Confident	37 Å²	37	46.1 Å²	46.1	38%	0.381	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	12.2	175.5	0	0	0	0	0	115.1	E342 V343 Y348 G349	E342-G346 PolarHBondContact O-N 2.89Å; E342-G346 VanDerWaalsContact O-N 3.14Å; V343-G346 PolarHBondContact O-N 2.78Å; G346-Y348 PolarHBondContact O-N 2.98Å; G346-G349 PolarHBondContact O-N 3.42Å; G346-G349 VanDerWaalsContact O-N 3.12Å
347	E	86	Confident	88.6	Confident	137 Å²	137	50.3 Å²	50.3	64%	0.64	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.4	-178.8	-64.7	-176.7	-162.3	0	0	112.7	E342	E342-E347 HydrophobicContact CB-CB 4.3Å; E342-E347 PolarHBondContact O-N 3.28Å; E342-E347 VanDerWaalsContact O-N 3.11Å
348	Y	83.6	Confident	88.4	Confident	94 Å²	94	51.1 Å²	51.1	37%	0.369	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	26.2	175.4	-64.2	-96.5	0	0	0	112.4	F339 E342 V343 G346	F339-Y348 HydrophobicContact CD2-CE2 4.22Å; F339-Y348 AromaticContact CD2-CZ 3.97Å; F339-Y348 HydrophobicContact CE2-CD1 4.48Å; F339-Y348 AromaticContact CE2-CE1 3.8Å; F339-Y348 HydrophobicContact CE2-CE1 3.8Å; F339-Y348 AromaticContact CE2-CE2 4Å; F339-Y348 HydrophobicContact CE2-CE2 4Å; F339-Y348 AromaticContact CE2-CZ 3.53Å; E342-Y348 HydrophobicContact CB-CD2 4.16Å; E342-Y348 HydrophobicContact CB-CE2 3.65Å; E342-Y348 VanDerWaalsContact OE2-CE2 3.29Å; E342-Y348 WeakPolarHBondContact OE2-CE2 3.41Å; E342-Y348 PolarHBondContact OE2-OH 3.38Å; V343-Y348 HydrophobicContact CG2-CD2 3.71Å; V343-Y348 HydrophobicContact CG2-CE2 4.32Å; V343-Y348 HydrophobicContact CG2-CG 4.14Å; G346-Y348 PolarHBondContact O-N 2.98Å
349	G	83.8	Confident	88.2	Confident	35 Å²	35	49.7 Å²	49.7	36%	0.361	26%	0.264	S	S	.	.			trans	81.4	175.4	-175.5	0	0	0	0	0	113.6	G346 Q351	G346-G349 PolarHBondContact O-N 3.42Å; G346-G349 VanDerWaalsContact O-N 3.12Å; G349-Q351 VanDerWaalsContact C-N 3.29Å; G349-Q351 PolarHBondContact O-N 3.44Å
350	D	79.7	Confident	87.7	Confident	123 Å²	123	54.9 Å²	54.9	66%	0.658	29%	0.288	S	S	*	.	S	Bend	trans	-76.9	79	179.9	-169.9	10.9	0	0	0	111.5	M352	D350-M352 VanDerWaalsContact C-N 3.31Å; D350-M352 WeakPolarHBondContact OD1-CB 3.34Å; D350-M352 WeakPolarHBondContact OD1-CG 3.28Å; D350-M352 PolarHBondContact OD1-N 3.33Å
351	Q	83.2	Confident	87.3	Confident	38 Å²	38	58.7 Å²	58.7	18%	0.178	31%	0.308	C	S	.	.			trans	-90.2	3.7	173.8	-55	-60.2	-25.8	0	0	112.3	L328 G349 V353 R354 L355	L328-Q351 HydrophobicContact CD2-CG 4.4Å; G349-Q351 VanDerWaalsContact C-N 3.29Å; G349-Q351 PolarHBondContact O-N 3.44Å; Q351-V353 PolarHBondContact O-N 2.84Å; Q351-R354 PolarHBondContact O-N 3.11Å; Q351-R354 VanDerWaalsContact O-N 3.17Å; Q351-L355 HydrophobicContact CB-CD1 4.26Å; Q351-L355 PolarHBondContact O-N 2.85Å
352	M	83.1	Confident	86.7	Confident	15 Å²	15	62.8 Å²	62.8	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-59.4	-46.9	-172.8	-67.8	-84.8	87.5	0	0	111.9	S306 I311 D350 R354 L355 V356	S306-M352 WeakPolarHBondContact CB-SD 3.37Å; S306-M352 PolarHBondContact OG-SD 2.92Å; I311-M352 HydrophobicContact CB-CE 4.42Å; I311-M352 HydrophobicContact CD1-CE 3.96Å; I311-M352 HydrophobicContact CG2-CE 3.68Å; I311-M352 HydrophobicContact CG2-SD 4.25Å; D350-M352 VanDerWaalsContact C-N 3.31Å; D350-M352 WeakPolarHBondContact OD1-CB 3.34Å; D350-M352 WeakPolarHBondContact OD1-CG 3.28Å; D350-M352 PolarHBondContact OD1-N 3.33Å; M352-R354 VanDerWaalsContact C-N 3.26Å; M352-R354 PolarHBondContact O-N 3.01Å; M352-L355 HydrophobicContact CE-CD1 3.98Å; M352-L355 PolarHBondContact O-N 3.22Å; M352-V356 WeakPolarHBondContact O-CB 3.39Å; M352-V356 VanDerWaalsContact O-CG2 3.27Å; M352-V356 WeakPolarHBondContact O-CG2 3.33Å; M352-V356 PolarHBondContact O-N 3.05Å
353	V	86.8	Confident	85.8	Confident	107 Å²	107	62.2 Å²	62.2	65%	0.648	32%	0.32	S	S	*	.	H	α-helix	trans	-59.7	-40.1	-179.6	-178.8	0	0	0	0	111.1	Q351 K357	Q351-V353 PolarHBondContact O-N 2.84Å; V353-K357 VanDerWaalsContact O-CB 3.27Å; V353-K357 WeakPolarHBondContact O-CB 3.24Å; V353-K357 PolarHBondContact O-N 3.39Å
354	R	89.1	Confident	84.5	Confident	160 Å²	160	65.7 Å²	65.7	60%	0.604	35%	0.345	S	S	*	.	H	α-helix	trans	-68.5	-45.6	179.2	-65.4	-174.7	-177.7	164.5	-9.6	111.7	Q351 M352 K357 A358	Q351-R354 PolarHBondContact O-N 3.11Å; Q351-R354 VanDerWaalsContact O-N 3.17Å; M352-R354 VanDerWaalsContact C-N 3.26Å; M352-R354 PolarHBondContact O-N 3.01Å; R354-K357 PolarHBondContact O-N 3.35Å; R354-A358 WeakPolarHBondContact O-CB 3.31Å; R354-A358 PolarHBondContact O-N 2.86Å
355	L	89.1	Confident	83.2	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-63.6	-44.7	178.3	-74	161.1	0	0	0	111.9	I311 Y322 L323 L326 V343 Q351 M352 K357 A358 V359	I311-L355 HydrophobicContact CB-CB 4.06Å; I311-L355 HydrophobicContact CG2-CB 4.47Å; Y322-L355 HydrophobicContact CE1-CD2 3.7Å; Y322-L355 PolarHBondContact OH-O 3.42Å; L323-L355 HydrophobicContact CD2-CD2 4.22Å; L326-L355 HydrophobicContact CD1-CD2 3.42Å; L326-L355 VanDerWaalsContact CD1-CD2 3.42Å; L326-L355 HydrophobicContact CD1-CG 4.3Å; V343-L355 HydrophobicContact CG1-CD1 3.71Å; Q351-L355 HydrophobicContact CB-CD1 4.26Å; Q351-L355 PolarHBondContact O-N 2.85Å; M352-L355 HydrophobicContact CE-CD1 3.98Å; M352-L355 PolarHBondContact O-N 3.22Å; L355-K357 VanDerWaalsContact C-N 3.35Å; L355-K357 PolarHBondContact O-N 3.37Å; L355-A358 PolarHBondContact O-N 2.91Å; L355-V359 WeakPolarHBondContact O-CG2 3.34Å; L355-V359 PolarHBondContact O-N 2.77Å; L355-V359 VanDerWaalsContact O-N 3.1Å
356	V	89.6	Confident	82.1	Confident	15 Å²	15	72.7 Å²	72.7	9%	0.091	37%	0.369	C	S	.	.	H	α-helix	trans	-63.6	-42.8	177.7	172.9	0	0	0	0	110.7	Q309 I311 M352 V359 Q360	Q309-V356 HydrophobicContact CB-CG2 3.84Å; I311-V356 HydrophobicContact CG2-CG2 4.15Å; M352-V356 WeakPolarHBondContact O-CB 3.39Å; M352-V356 VanDerWaalsContact O-CG2 3.27Å; M352-V356 WeakPolarHBondContact O-CG2 3.33Å; M352-V356 PolarHBondContact O-N 3.05Å; V356-V359 PolarHBondContact O-N 2.86Å; V356-Q360 WeakPolarHBondContact O-CG 3.38Å; V356-Q360 PolarHBondContact O-N 3.28Å; V356-Q360 VanDerWaalsContact O-N 3.08Å
357	K	88.9	Confident	80.8	Confident	123 Å²	123	75.2 Å²	75.2	54%	0.535	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-45.5	176.5	-172.2	180	177.4	-175.7	0	111.5	V353 R354 L355 V359 Q360 D361	V353-K357 VanDerWaalsContact O-CB 3.27Å; V353-K357 WeakPolarHBondContact O-CB 3.24Å; V353-K357 PolarHBondContact O-N 3.39Å; R354-K357 PolarHBondContact O-N 3.35Å; L355-K357 VanDerWaalsContact C-N 3.35Å; L355-K357 PolarHBondContact O-N 3.37Å; K357-V359 VanDerWaalsContact C-N 3.26Å; K357-V359 PolarHBondContact O-N 2.94Å; K357-Q360 PolarHBondContact O-N 2.92Å; K357-D361 VanDerWaalsContact O-CG 3.28Å; K357-D361 PolarHBondContact O-N 2.99Å
358	A	88.9	Confident	79.3	Confident	17 Å²	17	74.4 Å²	74.4	14%	0.14	37%	0.367	C	S	.	.	H	α-helix	trans	-59	-36.7	177.6	0	0	0	0	0	112.8	Y322 L326 R354 L355 R362	Y322-A358 HydrophobicContact CE2-CB 4.16Å; L326-A358 HydrophobicContact CD1-CB 4.22Å; L326-A358 HydrophobicContact CD2-CB 4.04Å; R354-A358 WeakPolarHBondContact O-CB 3.31Å; R354-A358 PolarHBondContact O-N 2.86Å; L355-A358 PolarHBondContact O-N 2.91Å; A358-R362 WeakPolarHBondContact O-CG 3.03Å; A358-R362 PolarHBondContact O-N 2.9Å
359	V	88.4	Confident	77.8	Confident	14 Å²	14	76.2 Å²	76.2	9%	0.085	38%	0.379	C	S	.	.	H	α-helix	trans	-68.3	-39.5	173.8	172.7	0	0	0	0	112	C310 I311 R313 L355 V356 K357 K363	C310-V359 HydrophobicContact CB-CG1 4.45Å; I311-V359 WeakPolarHBondContact O-CG2 3.35Å; R313-V359 HydrophobicContact CG-CG1 4.29Å; L355-V359 WeakPolarHBondContact O-CG2 3.34Å; L355-V359 PolarHBondContact O-N 2.77Å; L355-V359 VanDerWaalsContact O-N 3.1Å; V356-V359 PolarHBondContact O-N 2.86Å; K357-V359 VanDerWaalsContact C-N 3.26Å; K357-V359 PolarHBondContact O-N 2.94Å; V359-K363 WeakPolarHBondContact O-CB 3.31Å; V359-K363 PolarHBondContact O-N 3.35Å
360	Q	84.8	Confident	76.4	Confident	111 Å²	111	79.1 Å²	79.1	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-69.5	-40.7	178.9	-72.3	175.3	-10.8	0	0	112.4	V356 K357 K363 S364	V356-Q360 WeakPolarHBondContact O-CG 3.38Å; V356-Q360 PolarHBondContact O-N 3.28Å; V356-Q360 VanDerWaalsContact O-N 3.08Å; K357-Q360 PolarHBondContact O-N 2.92Å; Q360-K363 WeakPolarHBondContact O-CB 3.37Å; Q360-K363 PolarHBondContact O-N 2.64Å; Q360-S364 PolarHBondContact O-N 3.08Å; Q360-S364 VanDerWaalsContact O-N 3.17Å; Q360-S364 PolarHBondContact O-OG 3Å; Q360-S364 VanDerWaalsContact O-OG 3.06Å
361	D	84.1	Confident	75	Confident	80 Å²	80	80.9 Å²	80.9	43%	0.428	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-46.8	177.4	-66.1	-16.1	0	0	0	109.6	K357 K363 S364 E365	K357-D361 VanDerWaalsContact O-CG 3.28Å; K357-D361 PolarHBondContact O-N 2.99Å; D361-K363 PolarHBondContact O-N 3.42Å; D361-S364 WeakPolarHBondContact O-CB 3.29Å; D361-S364 PolarHBondContact O-N 3.42Å; D361-S364 VanDerWaalsContact O-N 3.17Å; D361-E365 PolarHBondContact O-N 2.88Å
362	R	80.9	Confident	73.3	Confident	92 Å²	92	85.2 Å²	85.2	35%	0.347	42%	0.418	S	S	.	.	H	α-helix	trans	-64.4	-34.2	174.6	-72.6	-177.1	-173.3	-167.8	-0.4	114	Y322 E325 A358 S364 E365 E366	Y322-R362 VanDerWaalsContact CD2-NH1 3.28Å; E325-R362 IonicContact OE2-CZ 3.24Å; E325-R362 IonicContact OE2-NH2 3.21Å; E325-R362 PolarHBondContact OE2-NH2 2.83Å; A358-R362 WeakPolarHBondContact O-CG 3.03Å; A358-R362 PolarHBondContact O-N 2.9Å; R362-S364 VanDerWaalsContact C-N 3.26Å; R362-S364 PolarHBondContact O-N 3.27Å; R362-E365 PolarHBondContact O-N 3.4Å; R362-E366 WeakPolarHBondContact O-CG 3.42Å; R362-E366 PolarHBondContact O-N 3.11Å
363	K	72.6	Confident	71.5	Confident	32 Å²	32	90.2 Å²	90.2	14%	0.139	45%	0.445	C	S	.	.	H	α-helix	trans	-58.1	-43.3	173.8	178.5	-176.7	170	-173.4	0	110.5	D96 S120 R313 V359 Q360 D361 E365 E366 E367	D96-K363 IonicContact OD1-NZ 3.28Å; D96-K363 PolarHBondContact OD1-NZ 2.67Å; D96-K363 IonicContact OD2-NZ 2.77Å; S120-K363 PolarHBondContact OG-NZ 3.47Å; R313-K363 VanDerWaalsContact NH2-CB 3.33Å; V359-K363 WeakPolarHBondContact O-CB 3.31Å; V359-K363 PolarHBondContact O-N 3.35Å; Q360-K363 WeakPolarHBondContact O-CB 3.37Å; Q360-K363 PolarHBondContact O-N 2.64Å; D361-K363 PolarHBondContact O-N 3.42Å; K363-E365 VanDerWaalsContact C-N 3.35Å; K363-E366 PolarHBondContact O-N 3.03Å; K363-E367 WeakPolarHBondContact CE-OE1 3.35Å; K363-E367 WeakPolarHBondContact CG-OE1 3.32Å; K363-E367 IonicContact NZ-OE1 3.64Å; K363-E367 WeakPolarHBondContact O-CB 3.23Å; K363-E367 WeakPolarHBondContact O-CG 3.45Å; K363-E367 PolarHBondContact O-N 3.31Å
364	S	63.6	Low	69.2	Low	75 Å²	75	88.3 Å²	88.3	52%	0.524	45%	0.447	S	S	.	.	H	α-helix	trans	-67.9	-36.5	-178.7	-51.2	0	0	0	0	111.7	Q360 D361 R362 H368	Q360-S364 PolarHBondContact O-N 3.08Å; Q360-S364 VanDerWaalsContact O-N 3.17Å; Q360-S364 PolarHBondContact O-OG 3Å; Q360-S364 VanDerWaalsContact O-OG 3.06Å; D361-S364 WeakPolarHBondContact O-CB 3.29Å; D361-S364 PolarHBondContact O-N 3.42Å; D361-S364 VanDerWaalsContact O-N 3.17Å; R362-S364 VanDerWaalsContact C-N 3.26Å; R362-S364 PolarHBondContact O-N 3.27Å; S364-H368 WeakPolarHBondContact O-CB 3.5Å; S364-H368 PolarHBondContact O-N 2.98Å; S364-H368 VanDerWaalsContact O-N 3.14Å
365	E	64.5	Low	66.8	Low	121 Å²	121	87.6 Å²	87.6	57%	0.565	46%	0.455	S	S	*	.	H	α-helix	trans	-68.1	-43.1	175.2	-67.7	174.3	171.1	0	0	112.8	D361 R362 K363 H368 Q369	D361-E365 PolarHBondContact O-N 2.88Å; R362-E365 PolarHBondContact O-N 3.4Å; K363-E365 VanDerWaalsContact C-N 3.35Å; E365-H368 PolarHBondContact O-N 2.94Å; E365-Q369 WeakPolarHBondContact O-CG 3.26Å; E365-Q369 PolarHBondContact O-N 3.42Å; E365-Q369 VanDerWaalsContact O-N 3.1Å
366	E	65.9	Low	64.4	Low	100 Å²	100	91.9 Å²	91.9	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-42.9	177	-73.2	175.2	159.7	0	0	111.7	R313 R362 K363 Q369 T370	R313-E366 IonicContact CZ-OE2 3.81Å; R313-E366 IonicContact NE-OE2 2.94Å; R313-E366 IonicContact NH2-OE2 2.65Å; R313-E366 PolarHBondContact NH2-OE2 2.99Å; R362-E366 WeakPolarHBondContact O-CG 3.42Å; R362-E366 PolarHBondContact O-N 3.11Å; K363-E366 PolarHBondContact O-N 3.03Å; E366-Q369 PolarHBondContact O-N 2.75Å; E366-T370 PolarHBondContact O-N 3.04Å; E366-T370 VanDerWaalsContact O-N 3.09Å; E366-T370 PolarHBondContact O-OG1 2.88Å
367	E	59.7	Low	61.9	Low	90 Å²	90	97.9 Å²	97.9	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-63.9	-41.7	177.4	-74.4	172.5	-178.7	0	0	111.3	K363 Q369 T370 E371	K363-E367 WeakPolarHBondContact CE-OE1 3.35Å; K363-E367 WeakPolarHBondContact CG-OE1 3.32Å; K363-E367 IonicContact NZ-OE1 3.64Å; K363-E367 WeakPolarHBondContact O-CB 3.23Å; K363-E367 WeakPolarHBondContact O-CG 3.45Å; K363-E367 PolarHBondContact O-N 3.31Å; E367-Q369 PolarHBondContact O-N 2.76Å; E367-T370 PolarHBondContact O-N 3.05Å; E367-E371 PolarHBondContact O-N 2.94Å; E367-E371 VanDerWaalsContact O-N 3.09Å
368	H	54.3	Low	59.5	Low	120 Å²	120	97.7 Å²	97.7	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-65.5	-37.1	177.8	-155	60.8	0	0	0	113	S364 E365 L372	S364-H368 WeakPolarHBondContact O-CB 3.5Å; S364-H368 PolarHBondContact O-N 2.98Å; S364-H368 VanDerWaalsContact O-N 3.14Å; E365-H368 PolarHBondContact O-N 2.94Å; H368-L372 WeakPolarHBondContact O-CD1 3.36Å; H368-L372 WeakPolarHBondContact O-CG 3.43Å; H368-L372 PolarHBondContact O-N 3.26Å
369	Q	54.1	Low	57.1	Low	131 Å²	131	105 Å²	105	61%	0.612	56%	0.557	S	S	*	*	H	α-helix	trans	-70.2	-31.5	174.9	-74.5	179.4	4.5	0	0	112.9	E365 E366 E367 L372 N373	E365-Q369 WeakPolarHBondContact O-CG 3.26Å; E365-Q369 PolarHBondContact O-N 3.42Å; E365-Q369 VanDerWaalsContact O-N 3.1Å; E366-Q369 PolarHBondContact O-N 2.75Å; E367-Q369 PolarHBondContact O-N 2.76Å; Q369-L372 PolarHBondContact O-N 2.65Å; Q369-N373 PolarHBondContact O-N 3.48Å; Q369-N373 VanDerWaalsContact O-N 3.11Å
370	T	53.8	Low	54.5	Low	96 Å²	96	109.3 Å²	109.3	59%	0.589	59%	0.586	S	S	*	*	H	α-helix	trans	-74.8	-31.8	179	-43.6	0	0	0	0	111.5	E366 E367 N373	E366-T370 PolarHBondContact O-N 3.04Å; E366-T370 VanDerWaalsContact O-N 3.09Å; E366-T370 PolarHBondContact O-OG1 2.88Å; E367-T370 PolarHBondContact O-N 3.05Å; T370-N373 CarbonylContact O-C 3.56Å
371	E	50.5	Low	52.3	Low	160 Å²	160	110.4 Å²	110.4	75%	0.748	59%	0.594	S	S	*	*	H	α-helix	trans	-71.4	-29.7	173.2	-71.7	-177.2	167.6	0	0	112.9	E367	E367-E371 PolarHBondContact O-N 2.94Å; E367-E371 VanDerWaalsContact O-N 3.09Å
372	L	46.8	Very low	50	Low	129 Å²	129	113.7 Å²	113.7	68%	0.675	61%	0.611	S	S	*	*	H	α-helix	trans	-79.4	-34.2	177.3	-74.6	160.6	0	0	0	112.9	H368 Q369 G374	H368-L372 WeakPolarHBondContact O-CD1 3.36Å; H368-L372 WeakPolarHBondContact O-CG 3.43Å; H368-L372 PolarHBondContact O-N 3.26Å; Q369-L372 PolarHBondContact O-N 2.65Å; L372-G374 PolarHBondContact O-N 3.44Å
373	N	44.2	Very low	48.1	Very low	121 Å²	121	117.5 Å²	117.5	65%	0.647	63%	0.626	S	S	*	*	S	Bend	trans	-97.3	79.4	174.5	-75.6	-25	0	0	0	109.7	Q369 T370 D375	Q369-N373 PolarHBondContact O-N 3.48Å; Q369-N373 VanDerWaalsContact O-N 3.11Å; T370-N373 CarbonylContact O-C 3.56Å; N373-D375 PolarHBondContact O-N 2.93Å
374	G	40.4	Very low	46.1	Very low	67 Å²	67	124.4 Å²	124.4	69%	0.691	66%	0.659	S	S	*	*			trans	-56.9	98.6	175	0	0	0	0	0	111.9	L372 A376	L372-G374 PolarHBondContact O-N 3.44Å; G374-A376 PolarHBondContact O-N 2.95Å
375	D	37.9	Very low	44.7	Very low	144 Å²	144	128.8 Å²	128.8	77%	0.77	67%	0.671	S	S	*	*			trans	-74.2	92.2	176.4	-104.5	-16.7	0	0	0	110	N373 N377	N373-D375 PolarHBondContact O-N 2.93Å; D375-N377 PolarHBondContact O-N 3.5Å
376	A	37.8	Very low	43.1	Very low	92 Å²	92	131.9 Å²	131.9	76%	0.76	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	26.3	172.4	0	0	0	0	0	114	G374	G374-A376 PolarHBondContact O-N 2.95Å
377	N	37.6	Very low	41.4	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	34	-174.1	-80.3	-42.7	0	0	0	115.2	D375	D375-N377 PolarHBondContact O-N 3.5Å
378	L	39.6	Very low	39.8	Very low	118 Å²	118	131.4 Å²	131.4	62%	0.618	70%	0.703	S	S	*	*			trans	-91.2	94.5	154.1	-121.3	80.6	0	0	0	107.8	N161 P380	N161-L378 WeakPolarHBondContact O-CD2 3.41Å; L378-P380 WeakPolarHBondContact O-CD 3.38Å
379	H	36.8	Very low	38.7	Very low	170 Å²	170	131.6 Å²	131.6	79%	0.787	72%	0.718	S	S	*	*			trans	-54.7	117.6	162.8	-108.6	-81.6	0	0	0	107	L381	H379-L381 VanDerWaalsContact C-N 3.3Å; H379-L381 PolarHBondContact O-N 3.14Å
380	P	34.6	Very low	37.4	Very low	105 Å²	105	128.5 Å²	128.5	68%	0.682	71%	0.711	S	S	*	*			trans	-65.5	101.9	169.4	-6.5	22.2	0	0	0	104.5	L378 L382	L378-P380 WeakPolarHBondContact O-CD 3.38Å; P380-L382 VanDerWaalsContact C-N 3.28Å; P380-L382 PolarHBondContact O-N 2.58Å
381	L	39.2	Very low	36.4	Very low	134 Å²	134	132.8 Å²	132.8	70%	0.702	72%	0.724	S	S	*	*			trans	-69.2	102.7	171.6	-129.1	150.6	0	0	0	105	H379 W383	H379-L381 VanDerWaalsContact C-N 3.3Å; H379-L381 PolarHBondContact O-N 3.14Å; L381-W383 VanDerWaalsContact C-N 3.31Å; L381-W383 PolarHBondContact O-N 2.98Å
382	L	34.6	Very low	35.8	Very low	150 Å²	150	127.3 Å²	127.3	79%	0.785	71%	0.71	S	S	*	*			trans	-37.7	99.7	160.6	-81.8	142.8	0	0	0	107.2	P380 Q384	P380-L382 VanDerWaalsContact C-N 3.28Å; P380-L382 PolarHBondContact O-N 2.58Å; L382-Q384 PolarHBondContact O-N 3.45Å
383	W	42	Very low	35.1	Very low	171 Å²	171	123 Å²	123	65%	0.648	69%	0.691	S	S	*	*			trans	-60	93.3	146.1	-64.9	92	0	0	0	103.2	L381 E385	L381-W383 VanDerWaalsContact C-N 3.31Å; L381-W383 PolarHBondContact O-N 2.98Å; W383-E385 VanDerWaalsContact C-N 3.29Å; W383-E385 PolarHBondContact O-N 2.87Å
384	Q	30.9	Very low	34.6	Very low	178 Å²	178	124.9 Å²	124.9	83%	0.832	70%	0.695	S	S	*	*			trans	-54.8	111	165.1	-135.8	171.4	-1.6	0	0	103.9	L382 E386	L382-Q384 PolarHBondContact O-N 3.45Å; Q384-E386 PolarHBondContact O-N 3.43Å
385	E	33.2	Very low	35.4	Very low	166 Å²	166	124.4 Å²	124.4	78%	0.776	68%	0.681	S	S	*	*			trans	-59	92.1	174.8	-71.1	-175.4	159.2	0	0	107.3	W383 S387	W383-E385 VanDerWaalsContact C-N 3.29Å; W383-E385 PolarHBondContact O-N 2.87Å; E385-S387 PolarHBondContact O-N 3.3Å; E385-S387 VanDerWaalsContact O-N 3.09Å
386	E	30.1	Very low	37.1	Very low	186 Å²	186	119.2 Å²	119.2	87%	0.869	65%	0.652	S	S	*	*			trans	-77.7	67.8	143.6	-75.2	-168.9	167.1	0	0	106.9	Q384 S388	Q384-E386 PolarHBondContact O-N 3.43Å; E386-S388 PolarHBondContact O-N 3.39Å
387	S	31	Very low	38.8	Very low	87 Å²	87	116.9 Å²	116.9	61%	0.608	63%	0.63	S	S	*	*			trans	-72	61.2	164	50.6	0	0	0	0	109	E385 S389	E385-S387 PolarHBondContact O-N 3.3Å; E385-S387 VanDerWaalsContact O-N 3.09Å; S387-S389 VanDerWaalsContact C-N 3.33Å; S387-S389 PolarHBondContact O-N 3.47Å
388	S	25.9	Very low	40.9	Very low	93 Å²	93	110.6 Å²	110.6	65%	0.65	60%	0.598	S	S	*	*			trans	-86.9	87.1	154.7	71	0	0	0	0	107.8	E386 S390	E386-S388 PolarHBondContact O-N 3.39Å; S388-S390 VanDerWaalsContact C-N 3.26Å; S388-S390 PolarHBondContact O-N 2.92Å
389	S	31.6	Very low	43.2	Very low	124 Å²	124	108 Å²	108	87%	0.867	59%	0.589	S	S	*	*			trans	-56.3	87.5	160.9	43.1	0	0	0	0	109.9	S387	S387-S389 VanDerWaalsContact C-N 3.33Å; S387-S389 PolarHBondContact O-N 3.47Å
390	S	27.5	Very low	45.6	Very low	67 Å²	67	102.4 Å²	102.4	47%	0.469	57%	0.569	S	S	.	*			trans	-137	111.3	159.6	87.6	0	0	0	0	109.9	S388 G392	S388-S390 VanDerWaalsContact C-N 3.26Å; S388-S390 PolarHBondContact O-N 2.92Å; S390-G392 PolarHBondContact O-N 2.84Å; S390-G392 VanDerWaalsContact O-N 3.15Å
391	E	32.8	Very low	48.2	Very low	186 Å²	186	105 Å²	105	87%	0.869	57%	0.57	S	S	*	*			trans	-63.1	111.1	164.8	-68	-167.1	141.8	0	0	109.4
392	G	37.8	Very low	50.7	Low	44 Å²	44	101.8 Å²	101.8	45%	0.454	56%	0.555	S	S	.	*	S	Bend	trans	131.9	135.4	171.9	0	0	0	0	0	113.1	S390 H394	S390-G392 PolarHBondContact O-N 2.84Å; S390-G392 VanDerWaalsContact O-N 3.15Å; G392-H394 PolarHBondContact O-N 3.38Å
393	C	30.5	Very low	53.5	Low	40 Å²	40	94.7 Å²	94.7	27%	0.27	52%	0.518	S	S	.	.	S	Bend	trans	39.2	-14.5	166.4	-104	0	0	0	0	123.2	C400	C393-C400 HydrophobicContact CB-CB 4.21Å; C393-C400 WeakPolarHBondContact SG-CB 3.48Å; C393-C400 PolarHBondContact SG-SG 3.3Å
394	H	34.2	Very low	56.1	Low	160 Å²	160	88.6 Å²	88.6	74%	0.741	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-0.6	-179.8	-69.9	-81.7	0	0	0	113.6	G392	G392-H394 PolarHBondContact O-N 3.38Å
395	S	58.3	Low	59.1	Low	56 Å²	56	83.2 Å²	83.2	39%	0.392	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.1	174	-177.3	0	0	0	0	113.9
396	F	72.4	Confident	62.1	Low	35 Å²	35	76.5 Å²	76.5	15%	0.154	45%	0.446	C	S	.	.	S	Bend	trans	-102	150.3	-179.2	-64.8	-80.5	0	0	0	110	A398 Y490 Y492	F396-A398 VanDerWaalsContact C-N 3.34Å; F396-A398 PolarHBondContact O-N 3.17Å; F396-Y490 HydrophobicContact CD1-CD1 4.46Å; F396-Y490 WeakPolarHBondContact CD1-O 3.31Å; F396-Y490 HydrophobicContact CE1-CD1 4.03Å; F396-Y490 HydrophobicContact CE1-CG 4.42Å; F396-Y492 WeakPolarHBondContact CE1-O 3.13Å; F396-Y492 WeakPolarHBondContact CZ-O 3.45Å
397	S	74.9	Confident	65.2	Low	43 Å²	43	67.6 Å²	67.6	30%	0.301	41%	0.405	S	S	.	.	S	Bend	trans	-60.1	-42.8	-179.2	-170.6	0	0	0	0	112.3	K200 Q202	K200-S397 WeakPolarHBondContact O-CB 3.25Å; K200-S397 PolarHBondContact O-OG 2.96Å; Q202-S397 WeakPolarHBondContact CG-O 3.24Å; Q202-S397 VanDerWaalsContact CG-OG 3.32Å; Q202-S397 WeakPolarHBondContact CG-OG 3.48Å; Q202-S397 PolarHBondContact NE2-O 2.93Å
398	A	81.3	Confident	68.3	Low	10 Å²	10	66.6 Å²	66.6	8%	0.083	39%	0.39	C	S	.	.	S	Bend	trans	-93.6	147.8	176	0	0	0	0	0	113.2	F396 T402 Q403	F396-A398 VanDerWaalsContact C-N 3.34Å; F396-A398 PolarHBondContact O-N 3.17Å; A398-T402 HydrophobicContact CB-CG2 4.2Å; A398-Q403 HydrophobicContact CB-CG 4.13Å; A398-Q403 PolarHBondContact O-NE2 3.49Å
399	S	86.6	Confident	71.7	Confident	62 Å²	62	71.4 Å²	71.4	43%	0.434	39%	0.394	S	S	.	.			trans	-64	157.3	174.6	83.7	0	0	0	0	112.9	K401 T402 Q403	S399-K401 VanDerWaalsContact C-N 3.28Å; S399-K401 PolarHBondContact O-N 3.11Å; S399-T402 WeakPolarHBondContact O-CB 3.44Å; S399-T402 PolarHBondContact O-N 3.33Å; S399-T402 VanDerWaalsContact O-N 3.1Å; S399-T402 WeakPolarHBondContact OG-CB 3.39Å; S399-T402 PolarHBondContact OG-N 3.12Å; S399-T402 PolarHBondContact OG-OG1 3.17Å; S399-Q403 WeakPolarHBondContact O-CG 3.28Å; S399-Q403 PolarHBondContact O-N 2.98Å
400	C	87.6	Confident	74.7	Confident	53 Å²	53	66.1 Å²	66.1	36%	0.358	36%	0.355	S	S	.	.	H	α-helix	trans	-50.8	-46.2	177.6	-163.8	0	0	0	0	113.3	C393 Q403 F404	C393-C400 HydrophobicContact CB-CB 4.21Å; C393-C400 WeakPolarHBondContact SG-CB 3.48Å; C393-C400 PolarHBondContact SG-SG 3.3Å; C400-Q403 WeakPolarHBondContact O-CB 3.44Å; C400-Q403 PolarHBondContact O-N 3.05Å; C400-F404 WeakPolarHBondContact O-CB 3.37Å; C400-F404 PolarHBondContact O-N 3.01Å
401	K	89.9	Confident	77.9	Confident	161 Å²	161	63.6 Å²	63.6	70%	0.7	34%	0.336	S	S	*	.	H	α-helix	trans	-65.9	-42.7	-178.5	-173.4	178.9	-179.5	-179.8	0	110.6	S399 F404 C405	S399-K401 VanDerWaalsContact C-N 3.28Å; S399-K401 PolarHBondContact O-N 3.11Å; K401-F404 PolarHBondContact O-N 3.34Å; K401-C405 PolarHBondContact O-N 2.94Å; K401-C405 PolarHBondContact O-SG 3.3Å
402	T	91.1	Very high	80.8	Confident	66 Å²	66	58 Å²	58	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-46.2	176.1	-52.8	0	0	0	0	111	A398 S399 F404 C405 I406	A398-T402 HydrophobicContact CB-CG2 4.2Å; S399-T402 WeakPolarHBondContact O-CB 3.44Å; S399-T402 PolarHBondContact O-N 3.33Å; S399-T402 VanDerWaalsContact O-N 3.1Å; S399-T402 WeakPolarHBondContact OG-CB 3.39Å; S399-T402 PolarHBondContact OG-N 3.12Å; S399-T402 PolarHBondContact OG-OG1 3.17Å; T402-F404 PolarHBondContact O-N 3.5Å; T402-C405 PolarHBondContact O-N 3.42Å; T402-I406 HydrophobicContact CG2-CD1 3.73Å; T402-I406 HydrophobicContact CG2-CG1 4.47Å; T402-I406 WeakPolarHBondContact O-CD1 3.35Å; T402-I406 VanDerWaalsContact O-CG1 3.26Å; T402-I406 WeakPolarHBondContact O-CG1 3.3Å; T402-I406 PolarHBondContact O-N 3.15Å
403	Q	94.3	Very high	83.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.3	-52.1	174.3	-68	171.9	29.4	0	0	110.7	L199 A398 S399 C400 C405 I406 L407 S493 A496	L199-Q403 HydrophobicContact CD2-CB 4.4Å; L199-Q403 HydrophobicContact CD2-CG 4.26Å; A398-Q403 HydrophobicContact CB-CG 4.13Å; A398-Q403 PolarHBondContact O-NE2 3.49Å; S399-Q403 WeakPolarHBondContact O-CG 3.28Å; S399-Q403 PolarHBondContact O-N 2.98Å; C400-Q403 WeakPolarHBondContact O-CB 3.44Å; C400-Q403 PolarHBondContact O-N 3.05Å; Q403-C405 PolarHBondContact O-N 3.08Å; Q403-I406 PolarHBondContact O-N 2.78Å; Q403-L407 WeakPolarHBondContact O-CB 3.4Å; Q403-L407 WeakPolarHBondContact O-CG 3.38Å; Q403-L407 PolarHBondContact O-N 3.21Å; Q403-S493 PolarHBondContact OE1-OG 2.85Å; Q403-S493 VanDerWaalsContact OE1-OG 3.08Å; Q403-A496 HydrophobicContact CB-CB 3.72Å
404	F	95.1	Very high	86.4	Confident	44 Å²	44	57.1 Å²	57.1	19%	0.193	29%	0.292	C	S	.	.	H	α-helix	trans	-56.8	-49.5	178.4	167.9	-97.9	0	0	0	111.9	C400 K401 T402 I406 L407 F408 L499 A500 M503	C400-F404 WeakPolarHBondContact O-CB 3.37Å; C400-F404 PolarHBondContact O-N 3.01Å; K401-F404 PolarHBondContact O-N 3.34Å; T402-F404 PolarHBondContact O-N 3.5Å; F404-I406 PolarHBondContact O-N 3.37Å; F404-L407 PolarHBondContact O-N 3.14Å; F404-F408 HydrophobicContact CE2-CB 4.5Å; F404-F408 HydrophobicContact CZ-CB 4.37Å; F404-F408 HydrophobicContact CZ-CD2 4.4Å; F404-F408 HydrophobicContact CZ-CG 4.5Å; F404-F408 WeakPolarHBondContact O-CB 3.39Å; F404-F408 PolarHBondContact O-N 3.49Å; F404-L499 HydrophobicContact CD2-CB 4.18Å; F404-L499 HydrophobicContact CD2-CD2 3.95Å; F404-L499 HydrophobicContact CD2-CG 3.93Å; F404-L499 HydrophobicContact CE2-CB 4.3Å; F404-L499 HydrophobicContact CE2-CD2 4.01Å; F404-L499 HydrophobicContact CE2-CG 3.7Å; F404-A500 HydrophobicContact CD2-CB 3.86Å; F404-A500 HydrophobicContact CE2-CB 4.14Å; F404-M503 HydrophobicContact CE2-SD 3.77Å; F404-M503 HydrophobicContact CZ-SD 3.55Å; F404-M503 VanDerWaalsContact CZ-SD 3.55Å
405	C	95.8	Very high	89	Confident	64 Å²	64	50.8 Å²	50.8	43%	0.432	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-41.4	-179.1	-70	0	0	0	0	112.7	K401 T402 Q403 R409	K401-C405 PolarHBondContact O-N 2.94Å; K401-C405 PolarHBondContact O-SG 3.3Å; T402-C405 PolarHBondContact O-N 3.42Å; Q403-C405 PolarHBondContact O-N 3.08Å; C405-R409 WeakPolarHBondContact O-CB 3.3Å; C405-R409 PolarHBondContact O-N 3.23Å
406	I	95.3	Very high	90.5	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.128	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-48.9	177.9	-65.9	161.2	0	0	0	110.1	V195 N198 L199 T402 Q403 F404 R409 R410	V195-I406 HydrophobicContact CG1-CG2 4.31Å; N198-I406 HydrophobicContact CB-CD1 3.59Å; N198-I406 HydrophobicContact CB-CG1 4.24Å; N198-I406 WeakPolarHBondContact O-CD1 3.26Å; L199-I406 HydrophobicContact CD1-CG2 4.34Å; L199-I406 HydrophobicContact CD2-CB 4.22Å; L199-I406 HydrophobicContact CD2-CD1 3.93Å; L199-I406 HydrophobicContact CD2-CG2 4.15Å; L199-I406 HydrophobicContact CG-CD1 4.25Å; L199-I406 HydrophobicContact CG-CG2 4.06Å; T402-I406 HydrophobicContact CG2-CD1 3.73Å; T402-I406 HydrophobicContact CG2-CG1 4.47Å; T402-I406 WeakPolarHBondContact O-CD1 3.35Å; T402-I406 VanDerWaalsContact O-CG1 3.26Å; T402-I406 WeakPolarHBondContact O-CG1 3.3Å; T402-I406 PolarHBondContact O-N 3.15Å; Q403-I406 PolarHBondContact O-N 2.78Å; F404-I406 PolarHBondContact O-N 3.37Å; I406-R409 PolarHBondContact O-N 2.95Å; I406-R410 VanDerWaalsContact O-CB 3.28Å; I406-R410 WeakPolarHBondContact O-CB 3.43Å; I406-R410 PolarHBondContact O-N 3.35Å
407	L	96.1	Very high	91.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-40.4	-178.8	-66	170.7	0	0	0	111.3	L199 Q403 F404 R410 T411 Y492 A496 A500	L199-L407 HydrophobicContact CD1-CD2 4.37Å; Q403-L407 WeakPolarHBondContact O-CB 3.4Å; Q403-L407 WeakPolarHBondContact O-CG 3.38Å; Q403-L407 PolarHBondContact O-N 3.21Å; F404-L407 PolarHBondContact O-N 3.14Å; L407-R410 VanDerWaalsContact CD2-CZ 3.47Å; L407-R410 PolarHBondContact O-N 3.15Å; L407-T411 WeakPolarHBondContact O-CB 3.46Å; L407-T411 PolarHBondContact O-N 3Å; L407-T411 PolarHBondContact O-OG1 2.85Å; L407-Y492 HydrophobicContact CD1-CD1 4.14Å; L407-Y492 HydrophobicContact CD1-CD2 3.79Å; L407-Y492 HydrophobicContact CD1-CE2 4.23Å; L407-Y492 HydrophobicContact CD1-CG 3.74Å; L407-Y492 HydrophobicContact CD2-CD1 3.81Å; L407-Y492 HydrophobicContact CD2-CE1 3.67Å; L407-Y492 HydrophobicContact CD2-CE2 4.48Å; L407-Y492 HydrophobicContact CD2-CG 4.27Å; L407-Y492 HydrophobicContact CG-CD1 4.49Å; L407-A496 HydrophobicContact CD1-CB 4.18Å; L407-A500 HydrophobicContact CB-CB 3.62Å
408	F	96.3	Very high	92.1	Very high	65 Å²	65	53.6 Å²	53.6	29%	0.285	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-51.2	176.4	175.2	-95.8	0	0	0	110.6	F404 R410 T411 F412 A500 M503 A504	F404-F408 HydrophobicContact CE2-CB 4.5Å; F404-F408 HydrophobicContact CZ-CB 4.37Å; F404-F408 HydrophobicContact CZ-CD2 4.4Å; F404-F408 HydrophobicContact CZ-CG 4.5Å; F404-F408 WeakPolarHBondContact O-CB 3.39Å; F404-F408 PolarHBondContact O-N 3.49Å; F408-R410 VanDerWaalsContact C-N 3.32Å; F408-R410 PolarHBondContact O-N 3.36Å; F408-T411 PolarHBondContact O-N 3.42Å; F408-F412 WeakPolarHBondContact O-CB 3.1Å; F408-F412 PolarHBondContact O-N 2.87Å; F408-A500 HydrophobicContact CB-CB 4.18Å; F408-M503 HydrophobicContact CD2-CB 4.11Å; F408-M503 HydrophobicContact CE2-CB 4.01Å; F408-A504 HydrophobicContact CD2-CB 4.02Å; F408-A504 HydrophobicContact CE2-CB 4.12Å
409	R	95.8	Very high	92	Very high	195 Å²	195	56 Å²	56	74%	0.736	28%	0.283	S	S	*	.	H	α-helix	trans	-59.7	-43.5	177.6	-178.3	178.7	175.5	180	-0.5	111.7	C405 I406 L413	C405-R409 WeakPolarHBondContact O-CB 3.3Å; C405-R409 PolarHBondContact O-N 3.23Å; I406-R409 PolarHBondContact O-N 2.95Å; R409-L413 VanDerWaalsContact O-CB 3.26Å; R409-L413 WeakPolarHBondContact O-CB 3.48Å; R409-L413 PolarHBondContact O-N 3.37Å
410	R	95.3	Very high	92	Very high	13 Å²	13	57.7 Å²	57.7	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-52.7	177.7	179.6	-170.7	77.6	168.9	0.9	111.3	L184 L187 V195 I406 L407 F408 L413 S414 E486	L184-R410 HydrophobicContact CD1-CG 4.13Å; L187-R410 HydrophobicContact CD1-CG 3.84Å; L187-R410 HydrophobicContact CD2-CG 4.46Å; V195-R410 HydrophobicContact CG2-CB 4.38Å; V195-R410 HydrophobicContact CG2-CG 4.22Å; I406-R410 VanDerWaalsContact O-CB 3.28Å; I406-R410 WeakPolarHBondContact O-CB 3.43Å; I406-R410 PolarHBondContact O-N 3.35Å; L407-R410 VanDerWaalsContact CD2-CZ 3.47Å; L407-R410 PolarHBondContact O-N 3.15Å; F408-R410 VanDerWaalsContact C-N 3.32Å; F408-R410 PolarHBondContact O-N 3.36Å; R410-L413 PolarHBondContact O-N 3.44Å; R410-S414 WeakPolarHBondContact O-CB 3.34Å; R410-S414 PolarHBondContact O-N 3.42Å; R410-E486 IonicContact CZ-OE2 3.89Å; R410-E486 IonicContact NH1-OE1 2.82Å; R410-E486 PolarHBondContact NH1-OE1 3.35Å; R410-E486 IonicContact NH1-OE2 3.64Å; R410-E486 PolarHBondContact NH1-OE2 3.43Å; R410-E486 IonicContact NH2-OE2 3.4Å
411	T	94.3	Very high	91.9	Very high	13 Å²	13	57.2 Å²	57.2	8%	0.08	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-44.5	-177.5	-59.1	0	0	0	0	110.8	L407 F408 L413 S414 I415 K501 A504	L407-T411 WeakPolarHBondContact O-CB 3.46Å; L407-T411 PolarHBondContact O-N 3Å; L407-T411 PolarHBondContact O-OG1 2.85Å; F408-T411 PolarHBondContact O-N 3.42Å; T411-L413 PolarHBondContact O-N 3.16Å; T411-S414 WeakPolarHBondContact O-CB 3.33Å; T411-S414 PolarHBondContact O-N 3.15Å; T411-I415 HydrophobicContact CG2-CD1 4Å; T411-I415 WeakPolarHBondContact O-CG1 3.46Å; T411-I415 PolarHBondContact O-N 2.85Å; T411-K501 HydrophobicContact CG2-CD 3.74Å; T411-A504 HydrophobicContact CG2-CB 3.71Å
412	F	94.1	Very high	91.7	Very high	69 Å²	69	50.7 Å²	50.7	30%	0.303	26%	0.258	S	S	.	.	H	α-helix	trans	-59.8	-45.4	176.9	-169	-98.6	0	0	0	112.2	F408 S414 I415 L416 A504 F508	F408-F412 WeakPolarHBondContact O-CB 3.1Å; F408-F412 PolarHBondContact O-N 2.87Å; F412-S414 VanDerWaalsContact C-N 3.33Å; F412-S414 PolarHBondContact O-N 3.47Å; F412-I415 PolarHBondContact O-N 3.48Å; F412-L416 HydrophobicContact CD1-CD1 3.79Å; F412-L416 HydrophobicContact CD1-CG 4.4Å; F412-L416 HydrophobicContact CE1-CD1 3.47Å; F412-L416 VanDerWaalsContact CE1-CD1 3.47Å; F412-L416 HydrophobicContact CE1-CG 4.19Å; F412-L416 HydrophobicContact CZ-CD1 4.26Å; F412-L416 WeakPolarHBondContact O-CG 3.39Å; F412-L416 PolarHBondContact O-N 3.33Å; F412-A504 HydrophobicContact CB-CB 4.43Å; F412-F508 AromaticContact CD2-CE2 3.68Å; F412-F508 HydrophobicContact CD2-CE2 3.68Å; F412-F508 HydrophobicContact CD2-CZ 4.11Å; F412-F508 AromaticContact CE2-CE2 3.52Å; F412-F508 HydrophobicContact CE2-CE2 3.52Å; F412-F508 AromaticContact CE2-CZ 3.68Å; F412-F508 HydrophobicContact CE2-CZ 3.68Å; F412-F508 HydrophobicContact CZ-CE2 4.33Å; F412-F508 HydrophobicContact CZ-CZ 4.03Å
413	L	93.2	Very high	91.6	Very high	51 Å²	51	53.5 Å²	53.5	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-39.2	175.7	-176	65.8	0	0	0	112.2	L187 R409 R410 T411 L416 R417	L187-L413 HydrophobicContact CD2-CD2 4.37Å; R409-L413 VanDerWaalsContact O-CB 3.26Å; R409-L413 WeakPolarHBondContact O-CB 3.48Å; R409-L413 PolarHBondContact O-N 3.37Å; R410-L413 PolarHBondContact O-N 3.44Å; T411-L413 PolarHBondContact O-N 3.16Å; L413-L416 PolarHBondContact O-N 3.39Å; L413-R417 HydrophobicContact CD1-CG 4.42Å; L413-R417 WeakPolarHBondContact O-CB 3.49Å; L413-R417 WeakPolarHBondContact O-CG 3.36Å; L413-R417 PolarHBondContact O-N 2.96Å
414	S	91.6	Very high	91.3	Very high	14 Å²	14	58.4 Å²	58.4	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-44.5	177.8	-168.7	0	0	0	0	111.3	R410 T411 F412 R417 D418	R410-S414 WeakPolarHBondContact O-CB 3.34Å; R410-S414 PolarHBondContact O-N 3.42Å; T411-S414 WeakPolarHBondContact O-CB 3.33Å; T411-S414 PolarHBondContact O-N 3.15Å; F412-S414 VanDerWaalsContact C-N 3.33Å; F412-S414 PolarHBondContact O-N 3.47Å; S414-R417 PolarHBondContact O-N 3.31Å; S414-D418 PolarHBondContact O-N 3.08Å
415	I	90	Very high	91.1	Very high	27 Å²	27	58 Å²	58	14%	0.138	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-45.9	177.7	-63.2	161.2	0	0	0	110.6	T411 F412 R417 D418 T422 A504 D505 F508	T411-I415 HydrophobicContact CG2-CD1 4Å; T411-I415 WeakPolarHBondContact O-CG1 3.46Å; T411-I415 PolarHBondContact O-N 2.85Å; F412-I415 PolarHBondContact O-N 3.48Å; I415-R417 PolarHBondContact O-N 2.9Å; I415-D418 PolarHBondContact O-N 3.44Å; I415-T422 PolarHBondContact O-OG1 2.98Å; I415-A504 HydrophobicContact CD1-CB 4.35Å; I415-D505 WeakPolarHBondContact CD1-OD1 3.32Å; I415-F508 HydrophobicContact CB-CD2 4.45Å; I415-F508 HydrophobicContact CB-CE2 4.05Å; I415-F508 HydrophobicContact CB-CZ 4.34Å; I415-F508 HydrophobicContact CD1-CD2 4.24Å; I415-F508 HydrophobicContact CD1-CE2 4.2Å; I415-F508 HydrophobicContact CG2-CD1 4.09Å; I415-F508 HydrophobicContact CG2-CD2 3.66Å; I415-F508 HydrophobicContact CG2-CE1 4.06Å; I415-F508 HydrophobicContact CG2-CE2 3.62Å; I415-F508 HydrophobicContact CG2-CG 3.9Å; I415-F508 HydrophobicContact CG2-CZ 3.83Å
416	L	90.3	Very high	90.9	Very high	96 Å²	96	58.3 Å²	58.3	50%	0.503	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-33	178.2	-74.9	178.1	0	0	0	113.4	F412 L413 F508	F412-L416 HydrophobicContact CD1-CD1 3.79Å; F412-L416 HydrophobicContact CD1-CG 4.4Å; F412-L416 HydrophobicContact CE1-CD1 3.47Å; F412-L416 VanDerWaalsContact CE1-CD1 3.47Å; F412-L416 HydrophobicContact CE1-CG 4.19Å; F412-L416 HydrophobicContact CZ-CD1 4.26Å; F412-L416 WeakPolarHBondContact O-CG 3.39Å; F412-L416 PolarHBondContact O-N 3.33Å; L413-L416 PolarHBondContact O-N 3.39Å; L416-F508 HydrophobicContact CD2-CE1 3.64Å; L416-F508 HydrophobicContact CD2-CZ 3.6Å; L416-F508 HydrophobicContact CG-CE1 4.39Å; L416-F508 HydrophobicContact CG-CZ 3.9Å
417	R	92.2	Very high	90.8	Very high	65 Å²	65	60.3 Å²	60.3	25%	0.245	30%	0.302	C	S	.	.	H	α-helix	trans	-89.9	-11.9	-178.8	-73.2	-177.9	177	175.1	5.9	114	H186 E191 L413 S414 I415 S419	H186-R417 HydrophobicContact CB-CB 4.08Å; H186-R417 PolarHBondContact O-NH1 3.29Å; E191-R417 IonicContact OE1-CZ 2.65Å; E191-R417 VanDerWaalsContact OE1-CZ 3.25Å; E191-R417 IonicContact OE1-NH1 3.69Å; E191-R417 PolarHBondContact OE1-NH1 3.39Å; E191-R417 IonicContact OE1-NH2 3.66Å; E191-R417 PolarHBondContact OE1-NH2 2.93Å; E191-R417 IonicContact OE2-CZ 3.23Å; E191-R417 IonicContact OE2-NH1 3.99Å; E191-R417 PolarHBondContact OE2-NH1 2.88Å; E191-R417 IonicContact OE2-NH2 3.1Å; L413-R417 HydrophobicContact CD1-CG 4.42Å; L413-R417 WeakPolarHBondContact O-CB 3.49Å; L413-R417 WeakPolarHBondContact O-CG 3.36Å; L413-R417 PolarHBondContact O-N 2.96Å; S414-R417 PolarHBondContact O-N 3.31Å; I415-R417 PolarHBondContact O-N 2.9Å; R417-S419 PolarHBondContact O-N 3.17Å
418	D	88.8	Confident	90.7	Very high	32 Å²	32	62.3 Å²	62.3	17%	0.171	32%	0.316	C	S	.	.			trans	-73.9	80.9	167.8	-171.5	-6.1	0	0	0	109.1	H186 S414 I415 V420 L421 T422	H186-D418 IonicContact CE1-OD1 3.01Å; H186-D418 IonicContact NE2-OD2 3.37Å; S414-D418 PolarHBondContact O-N 3.08Å; I415-D418 PolarHBondContact O-N 3.44Å; D418-V420 VanDerWaalsContact C-N 3.3Å; D418-V420 PolarHBondContact OD1-N 3.23Å; D418-L421 PolarHBondContact OD1-N 3.29Å; D418-L421 VanDerWaalsContact OD1-N 3.08Å; D418-L421 WeakPolarHBondContact OD2-CB 3.44Å; D418-T422 WeakPolarHBondContact O-CB 3.13Å; D418-T422 PolarHBondContact O-N 2.94Å; D418-T422 PolarHBondContact O-OG1 3.45Å
419	S	77.6	Confident	90.7	Very high	60 Å²	60	59.4 Å²	59.4	42%	0.42	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-34.7	179.5	57.3	0	0	0	0	111.1	R417 H423	R417-S419 PolarHBondContact O-N 3.17Å; S419-H423 WeakPolarHBondContact O-CB 3.1Å; S419-H423 PolarHBondContact O-N 3.34Å; S419-H423 PolarHBondContact O-ND1 3.14Å
420	V	87.4	Confident	90.7	Very high	98 Å²	98	53.6 Å²	53.6	59%	0.594	29%	0.286	S	S	*	.	H	α-helix	trans	-67.6	-55.8	-174.7	179.1	0	0	0	0	110.1	D418 L424	D418-V420 VanDerWaalsContact C-N 3.3Å; D418-V420 PolarHBondContact OD1-N 3.23Å; V420-L424 HydrophobicContact CG1-CD1 3.95Å; V420-L424 WeakPolarHBondContact O-CB 3.18Å; V420-L424 WeakPolarHBondContact O-CG 3.47Å; V420-L424 PolarHBondContact O-N 3.05Å
421	L	84.7	Confident	90.8	Very high	44 Å²	44	55 Å²	55	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-41.1	-175.3	-170.9	63	0	0	0	112.1	D418 L424 R425 T475	D418-L421 PolarHBondContact OD1-N 3.29Å; D418-L421 VanDerWaalsContact OD1-N 3.08Å; D418-L421 WeakPolarHBondContact OD2-CB 3.44Å; L421-L424 PolarHBondContact O-N 3.16Å; L421-R425 VanDerWaalsContact O-CG 3.31Å; L421-R425 WeakPolarHBondContact O-CG 3.41Å; L421-R425 PolarHBondContact O-N 2.73Å; L421-T475 HydrophobicContact CD2-CG2 3.55Å
422	T	87.1	Confident	90.9	Very high	23 Å²	23	57.1 Å²	57.1	14%	0.141	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-42.1	-179.5	-56.1	0	0	0	0	111.4	I415 D418 R425 I426 F512	I415-T422 PolarHBondContact O-OG1 2.98Å; D418-T422 WeakPolarHBondContact O-CB 3.13Å; D418-T422 PolarHBondContact O-N 2.94Å; D418-T422 PolarHBondContact O-OG1 3.45Å; T422-R425 PolarHBondContact O-N 2.72Å; T422-I426 HydrophobicContact CG2-CD1 4.07Å; T422-I426 WeakPolarHBondContact O-CG1 3.19Å; T422-I426 PolarHBondContact O-N 3.14Å; T422-F512 HydrophobicContact CG2-CZ 4.33Å
423	H	87.9	Confident	91	Very high	125 Å²	125	53.8 Å²	53.8	58%	0.579	30%	0.3	S	S	*	.	H	α-helix	trans	-67.1	-41.4	176.7	-72.9	70	0	0	0	111.6	S419 R425 I426 S427	S419-H423 WeakPolarHBondContact O-CB 3.1Å; S419-H423 PolarHBondContact O-N 3.34Å; S419-H423 PolarHBondContact O-ND1 3.14Å; H423-R425 VanDerWaalsContact C-N 3.28Å; H423-R425 PolarHBondContact O-N 2.89Å; H423-I426 PolarHBondContact O-N 3.38Å; H423-S427 VanDerWaalsContact O-CB 3.31Å; H423-S427 WeakPolarHBondContact O-CB 3.48Å; H423-S427 PolarHBondContact O-N 3.17Å; H423-S427 PolarHBondContact O-OG 2.82Å
424	L	89.1	Confident	91.2	Very high	103 Å²	103	54.1 Å²	54.1	54%	0.539	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-35.4	176.1	-74.1	173.5	0	0	0	112.4	V420 L421 S427 S428	V420-L424 HydrophobicContact CG1-CD1 3.95Å; V420-L424 WeakPolarHBondContact O-CB 3.18Å; V420-L424 WeakPolarHBondContact O-CG 3.47Å; V420-L424 PolarHBondContact O-N 3.05Å; L421-L424 PolarHBondContact O-N 3.16Å; L424-S427 PolarHBondContact O-OG 2.86Å; L424-S428 WeakPolarHBondContact O-CB 3.46Å; L424-S428 PolarHBondContact O-N 3.11Å; L424-S428 PolarHBondContact O-OG 2.99Å
425	R	90.6	Very high	91.4	Very high	36 Å²	36	58.9 Å²	58.9	14%	0.136	33%	0.328	C	S	.	.	H	α-helix	trans	-68	-49.8	174.5	-73	179.3	-171.5	-164.1	8.8	111.2	L421 T422 H423 S427 S428 H429 F512	L421-R425 VanDerWaalsContact O-CG 3.31Å; L421-R425 WeakPolarHBondContact O-CG 3.41Å; L421-R425 PolarHBondContact O-N 2.73Å; T422-R425 PolarHBondContact O-N 2.72Å; H423-R425 VanDerWaalsContact C-N 3.28Å; H423-R425 PolarHBondContact O-N 2.89Å; R425-S427 PolarHBondContact O-N 3.12Å; R425-S428 PolarHBondContact O-N 3.32Å; R425-S428 PolarHBondContact O-OG 3.44Å; R425-H429 PolarHBondContact O-N 3.07Å; R425-H429 PolarHBondContact O-ND1 2.82Å; R425-F512 HydrophobicContact CB-CD2 4.31Å; R425-F512 HydrophobicContact CB-CE1 4.45Å; R425-F512 HydrophobicContact CB-CE2 4.06Å; R425-F512 HydrophobicContact CB-CZ 4.13Å; R425-F512 HydrophobicContact CG-CE2 4.49Å
426	I	91.1	Very high	91.7	Very high	70 Å²	70	58.7 Å²	58.7	36%	0.359	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-47	-179.9	-65.9	170.1	0	0	0	110.9	T422 H423 S428 H429 I430 F512	T422-I426 HydrophobicContact CG2-CD1 4.07Å; T422-I426 WeakPolarHBondContact O-CG1 3.19Å; T422-I426 PolarHBondContact O-N 3.14Å; H423-I426 PolarHBondContact O-N 3.38Å; I426-S428 VanDerWaalsContact C-N 3.35Å; I426-S428 PolarHBondContact O-N 3.46Å; I426-H429 PolarHBondContact O-N 3.4Å; I426-I430 HydrophobicContact CG2-CD1 3.73Å; I426-I430 HydrophobicContact CG2-CG1 4.48Å; I426-I430 WeakPolarHBondContact O-CG1 3.46Å; I426-I430 PolarHBondContact O-N 2.99Å; I426-F512 HydrophobicContact CD1-CE1 4.03Å; I426-F512 HydrophobicContact CG1-CD1 3.76Å; I426-F512 HydrophobicContact CG1-CE1 3.41Å; I426-F512 VanDerWaalsContact CG1-CE1 3.41Å; I426-F512 HydrophobicContact CG1-CZ 4.48Å
427	S	93.3	Very high	91.9	Very high	67 Å²	67	54.1 Å²	54.1	47%	0.469	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-37.7	-179.1	68.9	0	0	0	0	112.4	H423 L424 R425 G431	H423-S427 VanDerWaalsContact O-CB 3.31Å; H423-S427 WeakPolarHBondContact O-CB 3.48Å; H423-S427 PolarHBondContact O-N 3.17Å; H423-S427 PolarHBondContact O-OG 2.82Å; L424-S427 PolarHBondContact O-OG 2.86Å; R425-S427 PolarHBondContact O-N 3.12Å; S427-G431 PolarHBondContact O-N 3.28Å
428	S	93.9	Very high	92.1	Very high	43 Å²	43	56.1 Å²	56.1	30%	0.301	32%	0.318	S	S	.	.	H	α-helix	trans	-68.1	-40.5	176.1	59.7	0	0	0	0	112.3	L424 R425 I426 I432	L424-S428 WeakPolarHBondContact O-CB 3.46Å; L424-S428 PolarHBondContact O-N 3.11Å; L424-S428 PolarHBondContact O-OG 2.99Å; R425-S428 PolarHBondContact O-N 3.32Å; R425-S428 PolarHBondContact O-OG 3.44Å; I426-S428 VanDerWaalsContact C-N 3.35Å; I426-S428 PolarHBondContact O-N 3.46Å; S428-I432 WeakPolarHBondContact O-CB 3.43Å; S428-I432 VanDerWaalsContact O-CG1 3.31Å; S428-I432 WeakPolarHBondContact O-CG1 3.36Å; S428-I432 PolarHBondContact O-N 3.32Å
429	H	95.8	Very high	92.4	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.019	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-41.1	176.1	-74.1	71.7	0	0	0	112.2	R425 I426 G433 F463 F512	R425-H429 PolarHBondContact O-N 3.07Å; R425-H429 PolarHBondContact O-ND1 2.82Å; I426-H429 PolarHBondContact O-N 3.4Å; H429-G433 WeakPolarHBondContact O-CA 3.44Å; H429-G433 PolarHBondContact O-N 2.95Å; H429-F463 HydrophobicContact CB-CE1 4.45Å; H429-F463 HydrophobicContact CB-CZ 4.43Å; H429-F463 AromaticContact CD2-CE1 3.69Å; H429-F463 AromaticContact CD2-CZ 3.97Å; H429-F463 AromaticContact CG-CE1 4Å; H429-F463 AromaticContact CG-CZ 3.92Å; H429-F512 PolarHBondContact CD2-O 3.44Å
430	I	96.9	Very high	93.2	Very high	73 Å²	73	59 Å²	59	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-51.3	175.6	-65.6	170.3	0	0	0	110.3	I426 I432 G433 V434 V515 I519	I426-I430 HydrophobicContact CG2-CD1 3.73Å; I426-I430 HydrophobicContact CG2-CG1 4.48Å; I426-I430 WeakPolarHBondContact O-CG1 3.46Å; I426-I430 PolarHBondContact O-N 2.99Å; I430-I432 PolarHBondContact O-N 3.23Å; I430-G433 PolarHBondContact O-N 3Å; I430-V434 WeakPolarHBondContact O-CG2 3.36Å; I430-V434 PolarHBondContact O-N 3.07Å; I430-V515 HydrophobicContact CD1-CG1 4.47Å; I430-V515 HydrophobicContact CG1-CG1 3.8Å; I430-I519 HydrophobicContact CB-CD1 4.48Å; I430-I519 HydrophobicContact CG1-CD1 4.33Å; I430-I519 HydrophobicContact CG2-CD1 4.37Å
431	G	96.7	Very high	93.6	Very high	42 Å²	42	59.5 Å²	59.5	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-44.7	-176.3	0	0	0	0	0	113	S427 L435	S427-G431 PolarHBondContact O-N 3.28Å; G431-L435 WeakPolarHBondContact O-CB 3.42Å; G431-L435 PolarHBondContact O-N 3.33Å
432	I	96.2	Very high	93.9	Very high	57 Å²	57	58.9 Å²	58.9	29%	0.292	33%	0.329	S	S	.	.	H	α-helix	trans	-72.7	-35	177.4	-65.7	167	0	0	0	110.8	S428 I430 L435 I436 F463 Y516	S428-I432 WeakPolarHBondContact O-CB 3.43Å; S428-I432 VanDerWaalsContact O-CG1 3.31Å; S428-I432 WeakPolarHBondContact O-CG1 3.36Å; S428-I432 PolarHBondContact O-N 3.32Å; I430-I432 PolarHBondContact O-N 3.23Å; I432-L435 PolarHBondContact O-N 3.32Å; I432-I436 HydrophobicContact CG2-CD1 3.66Å; I432-I436 HydrophobicContact CG2-CG1 4.2Å; I432-I436 WeakPolarHBondContact O-CB 3.32Å; I432-I436 WeakPolarHBondContact O-CG1 3.43Å; I432-I436 PolarHBondContact O-N 3.44Å; I432-F463 HydrophobicContact CB-CD2 4.39Å; I432-F463 HydrophobicContact CB-CE1 4.48Å; I432-F463 HydrophobicContact CB-CE2 4.02Å; I432-F463 HydrophobicContact CB-CZ 4.06Å; I432-F463 HydrophobicContact CD1-CD2 3.87Å; I432-F463 HydrophobicContact CD1-CE2 3.26Å; I432-F463 HydrophobicContact CD1-CZ 3.95Å; I432-F463 HydrophobicContact CG1-CE2 4.21Å; I432-F463 HydrophobicContact CG2-CD1 4.22Å; I432-F463 HydrophobicContact CG2-CD2 3.75Å; I432-F463 HydrophobicContact CG2-CE1 4.33Å; I432-F463 HydrophobicContact CG2-CE2 3.9Å; I432-F463 HydrophobicContact CG2-CG 3.93Å; I432-F463 HydrophobicContact CG2-CZ 4.18Å; I432-Y516 HydrophobicContact CG2-CE2 4.45Å
433	G	96.6	Very high	94.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-48	172.6	0	0	0	0	0	112.6	H429 I430 G437 V520	H429-G433 WeakPolarHBondContact O-CA 3.44Å; H429-G433 PolarHBondContact O-N 2.95Å; I430-G433 PolarHBondContact O-N 3Å; G433-G437 PolarHBondContact O-N 3.32Å; G433-V520 WeakPolarHBondContact O-CG1 3.37Å
434	V	97.3	Very high	94	Very high	58 Å²	58	52.3 Å²	52.3	35%	0.352	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-43.5	175.6	172.9	0	0	0	0	111.1	I430 G437 L438 I519	I430-V434 WeakPolarHBondContact O-CG2 3.36Å; I430-V434 PolarHBondContact O-N 3.07Å; V434-G437 PolarHBondContact O-N 3.45Å; V434-L438 HydrophobicContact CG1-CD1 3.94Å; V434-L438 HydrophobicContact CG1-CG 4.23Å; V434-L438 WeakPolarHBondContact O-CB 3.39Å; V434-L438 VanDerWaalsContact O-CG 3.29Å; V434-L438 WeakPolarHBondContact O-CG 3.29Å; V434-L438 PolarHBondContact O-N 3.35Å; V434-I519 HydrophobicContact CG2-CG2 4.17Å
435	L	96.6	Very high	94	Very high	114 Å²	114	50.8 Å²	50.8	60%	0.597	29%	0.29	S	S	*	.	H	α-helix	trans	-59.3	-50.3	178.5	178	65	0	0	0	112.1	G431 I432 L438 L439	G431-L435 WeakPolarHBondContact O-CB 3.42Å; G431-L435 PolarHBondContact O-N 3.33Å; I432-L435 PolarHBondContact O-N 3.32Å; L435-L438 PolarHBondContact O-N 3.27Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 PolarHBondContact O-N 2.92Å
436	I	95.4	Very high	93.9	Very high	23 Å²	23	52 Å²	52	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-41.5	178.5	-69.6	175.4	0	0	0	110.3	I432 L438 L439 Y440 F456 Y516 V520	I432-I436 HydrophobicContact CG2-CD1 3.66Å; I432-I436 HydrophobicContact CG2-CG1 4.2Å; I432-I436 WeakPolarHBondContact O-CB 3.32Å; I432-I436 WeakPolarHBondContact O-CG1 3.43Å; I432-I436 PolarHBondContact O-N 3.44Å; I436-L438 VanDerWaalsContact C-N 3.35Å; I436-L438 PolarHBondContact O-N 2.92Å; I436-L439 PolarHBondContact O-N 2.92Å; I436-Y440 HydrophobicContact CG2-CD2 3.95Å; I436-Y440 HydrophobicContact CG2-CE2 4.36Å; I436-Y440 WeakPolarHBondContact O-CD2 3.49Å; I436-Y440 PolarHBondContact O-N 3.12Å; I436-Y440 VanDerWaalsContact O-N 3.12Å; I436-F456 HydrophobicContact CG2-CD2 3.69Å; I436-F456 HydrophobicContact CG2-CE2 3.9Å; I436-Y516 HydrophobicContact CD1-CE2 4.34Å; I436-Y516 VanDerWaalsContact CD1-OH 3.3Å; I436-Y516 WeakPolarHBondContact CD1-OH 3.37Å; I436-V520 HydrophobicContact CB-CG1 4.47Å; I436-V520 HydrophobicContact CG2-CG1 4.35Å
437	G	95	Very high	93.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-37.8	176.8	0	0	0	0	0	113.5	G433 V434 Y440 L441	G433-G437 PolarHBondContact O-N 3.32Å; V434-G437 PolarHBondContact O-N 3.45Å; G437-Y440 CarbonylContact O-C 3.58Å; G437-L441 WeakPolarHBondContact O-CA 3.34Å; G437-L441 PolarHBondContact O-N 3.09Å
438	L	95.8	Very high	93.3	Very high	107 Å²	107	50.5 Å²	50.5	56%	0.56	28%	0.279	S	S	*	.	H	α-helix	trans	-70.8	-40.3	174.7	-73.9	175.9	0	0	0	112.2	V434 L435 I436 Y440 L441 M523	V434-L438 HydrophobicContact CG1-CD1 3.94Å; V434-L438 HydrophobicContact CG1-CG 4.23Å; V434-L438 WeakPolarHBondContact O-CB 3.39Å; V434-L438 VanDerWaalsContact O-CG 3.29Å; V434-L438 WeakPolarHBondContact O-CG 3.29Å; V434-L438 PolarHBondContact O-N 3.35Å; L435-L438 PolarHBondContact O-N 3.27Å; I436-L438 VanDerWaalsContact C-N 3.35Å; I436-L438 PolarHBondContact O-N 2.92Å; L438-Y440 PolarHBondContact O-N 3.46Å; L438-L441 PolarHBondContact O-N 3.4Å; L438-M523 HydrophobicContact CD2-CE 3.8Å; L438-M523 HydrophobicContact CG-CE 3.82Å
439	L	95	Very high	93.1	Very high	119 Å²	119	52.5 Å²	52.5	62%	0.623	28%	0.283	S	S	*	.	H	α-helix	trans	-63.3	-33.7	-180	-168.5	115.9	0	0	0	112	L435 I436	L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 PolarHBondContact O-N 2.92Å; I436-L439 PolarHBondContact O-N 2.92Å
440	Y	94.7	Very high	92.8	Very high	33 Å²	33	52.3 Å²	52.3	13%	0.129	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	30.6	-176.6	-67.9	-63.6	0	0	0	112.5	I436 G437 L438 G442 I443 S452 F456 T524	I436-Y440 HydrophobicContact CG2-CD2 3.95Å; I436-Y440 HydrophobicContact CG2-CE2 4.36Å; I436-Y440 WeakPolarHBondContact O-CD2 3.49Å; I436-Y440 PolarHBondContact O-N 3.12Å; I436-Y440 VanDerWaalsContact O-N 3.12Å; G437-Y440 CarbonylContact O-C 3.58Å; L438-Y440 PolarHBondContact O-N 3.46Å; Y440-G442 PolarHBondContact O-N 2.84Å; Y440-I443 HydrophobicContact CD1-CD1 3.46Å; Y440-I443 VanDerWaalsContact CD1-CD1 3.46Å; Y440-I443 HydrophobicContact CE1-CD1 4.4Å; Y440-I443 HydrophobicContact CG-CD1 3.8Å; Y440-I443 WeakPolarHBondContact O-CG1 3.16Å; Y440-I443 PolarHBondContact O-N 2.88Å; Y440-S452 WeakPolarHBondContact CE1-O 3.43Å; Y440-F456 HydrophobicContact CD1-CB 4.15Å; Y440-F456 HydrophobicContact CD2-CB 3.72Å; Y440-F456 AromaticContact CD2-CD2 3.95Å; Y440-F456 HydrophobicContact CD2-CD2 3.95Å; Y440-F456 HydrophobicContact CD2-CG 4.25Å; Y440-F456 HydrophobicContact CE1-CB 4.28Å; Y440-F456 HydrophobicContact CE2-CB 3.88Å; Y440-F456 HydrophobicContact CG-CB 3.83Å; Y440-F456 HydrophobicContact CG-CD2 4.46Å; Y440-F456 HydrophobicContact CG-CG 4.43Å; Y440-T524 WeakPolarHBondContact O-CA 3.07Å; Y440-T524 WeakPolarHBondContact O-CG2 3.44Å
441	L	95.1	Very high	92.5	Very high	109 Å²	109	53.8 Å²	53.8	57%	0.571	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	126.7	-175.6	-166.8	76.5	0	0	0	111.5	G437 L438 I443 M523	G437-L441 WeakPolarHBondContact O-CA 3.34Å; G437-L441 PolarHBondContact O-N 3.09Å; L438-L441 PolarHBondContact O-N 3.4Å; L441-I443 VanDerWaalsContact C-N 3.25Å; L441-I443 PolarHBondContact O-N 3.35Å; L441-M523 WeakPolarHBondContact CD1-O 3.47Å
442	G	91.1	Very high	92.2	Very high	31 Å²	31	54.6 Å²	54.6	32%	0.32	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	6.2	172.7	0	0	0	0	0	117.1	Y440 G444 M523 T524	Y440-G442 PolarHBondContact O-N 2.84Å; G442-G444 VanDerWaalsContact C-N 3.32Å; G442-G444 PolarHBondContact O-N 3.44Å; G442-M523 PolarHBondContact N-O 3.42Å; G442-T524 CarbonylContact C-O 3.56Å
443	I	91.1	Very high	92.1	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.051	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-75.2	-17.9	-172.3	69.7	173.3	0	0	0	114.6	Y440 L441 N445 E446 K449 N453 F456 T524	Y440-I443 HydrophobicContact CD1-CD1 3.46Å; Y440-I443 VanDerWaalsContact CD1-CD1 3.46Å; Y440-I443 HydrophobicContact CE1-CD1 4.4Å; Y440-I443 HydrophobicContact CG-CD1 3.8Å; Y440-I443 WeakPolarHBondContact O-CG1 3.16Å; Y440-I443 PolarHBondContact O-N 2.88Å; L441-I443 VanDerWaalsContact C-N 3.25Å; L441-I443 PolarHBondContact O-N 3.35Å; I443-N445 PolarHBondContact O-N 2.84Å; I443-N445 VanDerWaalsContact O-N 3.1Å; I443-E446 PolarHBondContact O-N 3.02Å; I443-K449 HydrophobicContact CB-CB 4.47Å; I443-K449 HydrophobicContact CG2-CD 3.95Å; I443-N453 HydrophobicContact CD1-CB 3.83Å; I443-N453 HydrophobicContact CG1-CB 4.2Å; I443-F456 HydrophobicContact CD1-CB 4.22Å; I443-T524 PolarHBondContact N-O 3.17Å
444	G	87.8	Confident	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27.1	-163.6	0	0	0	0	0	114.6	G442 T524 R617	G442-G444 VanDerWaalsContact C-N 3.32Å; G442-G444 PolarHBondContact O-N 3.44Å; G444-T524 WeakPolarHBondContact CA-O 3.45Å; G444-T524 PolarHBondContact N-O 3.48Å; G444-R617 PolarHBondContact O-NH2 2.97Å
445	N	87.9	Confident	91.7	Very high	71 Å²	71	49.4 Å²	49.4	38%	0.38	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-108.3	0	-178.5	-75.5	-27.9	0	0	0	114.9	I443 R617 H621	I443-N445 PolarHBondContact O-N 2.84Å; I443-N445 VanDerWaalsContact O-N 3.1Å; N445-R617 PolarHBondContact OD1-NH2 3.45Å; N445-H621 WeakPolarHBondContact O-CB 3.48Å; N445-H621 PolarHBondContact O-N 3.28Å
446	E	88.6	Confident	91.7	Very high	60 Å²	60	44 Å²	44	28%	0.28	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-88.7	119	-177.7	-68	-174.5	-148.4	0	0	112.2	I443 K448 K449	I443-E446 PolarHBondContact O-N 3.02Å; E446-K448 VanDerWaalsContact C-N 3.27Å; E446-K448 PolarHBondContact O-N 2.95Å; E446-K449 HydrophobicContact CB-CB 4.32Å; E446-K449 PolarHBondContact O-N 3.14Å; E446-K449 IonicContact OE1-NZ 2.93Å; E446-K449 PolarHBondContact OE1-NZ 2.88Å; E446-K449 WeakPolarHBondContact OE2-CD 3.45Å; E446-K449 WeakPolarHBondContact OE2-CE 3.44Å; E446-K449 IonicContact OE2-NZ 2.71Å; E446-K449 PolarHBondContact OE2-NZ 3.44Å
447	A	85.5	Confident	91.7	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-63.1	-29.9	-179.3	0	0	0	0	0	113.4	K449 V450 L620 H621 C622 C628	A447-K449 VanDerWaalsContact C-N 3.34Å; A447-K449 PolarHBondContact O-N 3.11Å; A447-V450 VanDerWaalsContact O-CG2 3.31Å; A447-V450 WeakPolarHBondContact O-CG2 3.33Å; A447-L620 HydrophobicContact CB-CB 3.73Å; A447-H621 WeakPolarHBondContact CB-O 3.49Å; A447-H621 PolarHBondContact N-O 2.79Å; A447-C622 HydrophobicContact CB-CB 4.2Å; A447-C628 HydrophobicContact CB-CB 3.97Å
448	K	87.1	Confident	91.6	Very high	104 Å²	104	43 Å²	43	45%	0.452	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-71.9	-25.8	179.4	-65.8	175	-179.3	167	0	113	E446 D623 N626	E446-K448 VanDerWaalsContact C-N 3.27Å; E446-K448 PolarHBondContact O-N 2.95Å; K448-D623 IonicContact NZ-OD2 2.76Å; K448-D623 PolarHBondContact NZ-OD2 3.47Å; K448-N626 PolarHBondContact NZ-ND2 3.05Å; K448-N626 VanDerWaalsContact NZ-ND2 3.11Å
449	K	88.8	Confident	91.6	Very high	85 Å²	85	42 Å²	42	37%	0.37	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-108	19	-173	-62.7	-176	-170.2	144.8	0	113.3	I443 E446 A447 L451 S452 N453	I443-K449 HydrophobicContact CB-CB 4.47Å; I443-K449 HydrophobicContact CG2-CD 3.95Å; E446-K449 HydrophobicContact CB-CB 4.32Å; E446-K449 PolarHBondContact O-N 3.14Å; E446-K449 IonicContact OE1-NZ 2.93Å; E446-K449 PolarHBondContact OE1-NZ 2.88Å; E446-K449 WeakPolarHBondContact OE2-CD 3.45Å; E446-K449 WeakPolarHBondContact OE2-CE 3.44Å; E446-K449 IonicContact OE2-NZ 2.71Å; E446-K449 PolarHBondContact OE2-NZ 3.44Å; A447-K449 VanDerWaalsContact C-N 3.34Å; A447-K449 PolarHBondContact O-N 3.11Å; K449-L451 VanDerWaalsContact C-N 3.35Å; K449-L451 PolarHBondContact O-N 3.04Å; K449-S452 WeakPolarHBondContact O-CA 3.4Å; K449-S452 WeakPolarHBondContact O-CB 3.48Å; K449-S452 PolarHBondContact O-N 3.38Å; K449-N453 PolarHBondContact O-N 3.29Å
450	V	89.8	Confident	91.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-40.7	-176.9	170.6	0	0	0	0	112.8	A447 S452 N453 S454 Y613 L620 F630 I636	A447-V450 VanDerWaalsContact O-CG2 3.31Å; A447-V450 WeakPolarHBondContact O-CG2 3.33Å; V450-S452 VanDerWaalsContact C-N 3.33Å; V450-S452 PolarHBondContact O-N 2.9Å; V450-N453 PolarHBondContact O-N 3.18Å; V450-S454 PolarHBondContact O-N 3.38Å; V450-Y613 HydrophobicContact CG1-CE1 4.15Å; V450-Y613 HydrophobicContact CG2-CE1 4.42Å; V450-L620 HydrophobicContact CG2-CD1 3.99Å; V450-F630 HydrophobicContact CB-CB 4.05Å; V450-F630 HydrophobicContact CB-CD2 4.46Å; V450-F630 HydrophobicContact CB-CG 4.32Å; V450-F630 HydrophobicContact CG1-CB 4.28Å; V450-F630 HydrophobicContact CG1-CG 4.38Å; V450-F630 HydrophobicContact CG2-CB 3.88Å; V450-I636 HydrophobicContact CG1-CB 3.71Å; V450-I636 HydrophobicContact CG1-CD1 3.83Å; V450-I636 HydrophobicContact CG1-CG1 3.55Å; V450-I636 HydrophobicContact CG1-CG2 4.02Å
451	L	89.8	Confident	91.6	Very high	103 Å²	103	34.7 Å²	34.7	54%	0.539	18%	0.183	S	C	.	.	H	α-helix	trans	-63.3	-38.5	174.8	-67.9	175	0	0	0	112.1	K449 N453 S454 G455 F630 I636	K449-L451 VanDerWaalsContact C-N 3.35Å; K449-L451 PolarHBondContact O-N 3.04Å; L451-N453 VanDerWaalsContact C-N 3.34Å; L451-S454 WeakPolarHBondContact O-CB 3.36Å; L451-S454 PolarHBondContact O-N 3.1Å; L451-G455 PolarHBondContact O-N 3.25Å; L451-F630 HydrophobicContact CD1-CE2 4.5Å; L451-F630 HydrophobicContact CG-CE2 4.36Å; L451-I636 HydrophobicContact CD2-CD1 4.08Å
452	S	91.9	Very high	91.6	Very high	59 Å²	59	31.1 Å²	31.1	41%	0.413	16%	0.164	S	C	.	.	H	α-helix	trans	-65.5	-37.1	173.9	-56.2	0	0	0	0	111.8	Y440 K449 V450 G455 F456	Y440-S452 WeakPolarHBondContact CE1-O 3.43Å; K449-S452 WeakPolarHBondContact O-CA 3.4Å; K449-S452 WeakPolarHBondContact O-CB 3.48Å; K449-S452 PolarHBondContact O-N 3.38Å; V450-S452 VanDerWaalsContact C-N 3.33Å; V450-S452 PolarHBondContact O-N 2.9Å; S452-G455 PolarHBondContact O-N 3.23Å; S452-F456 PolarHBondContact O-N 3.24Å
453	N	93.6	Very high	91.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-37.2	175.3	-166.2	50.5	0	0	0	112.2	I443 K449 V450 L451 G455 F456 L457 Q526 Y613	I443-N453 HydrophobicContact CD1-CB 3.83Å; I443-N453 HydrophobicContact CG1-CB 4.2Å; K449-N453 PolarHBondContact O-N 3.29Å; V450-N453 PolarHBondContact O-N 3.18Å; L451-N453 VanDerWaalsContact C-N 3.34Å; N453-G455 VanDerWaalsContact C-N 3.33Å; N453-F456 WeakPolarHBondContact O-CB 3.5Å; N453-F456 PolarHBondContact O-N 3.26Å; N453-F456 WeakPolarHBondContact OD1-CD1 3.38Å; N453-L457 WeakPolarHBondContact O-CG 3.02Å; N453-L457 PolarHBondContact O-N 3.25Å; N453-Q526 PolarHBondContact ND2-OE1 3.02Å; N453-Q526 PolarHBondContact OD1-NE2 3.44Å; N453-Y613 WeakPolarHBondContact CB-OH 3.29Å; N453-Y613 PolarHBondContact ND2-OH 2.92Å
454	S	92.4	Very high	92	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-45	169.3	179.1	0	0	0	0	111.2	V450 L451 F456 L457 F458	V450-S454 PolarHBondContact O-N 3.38Å; L451-S454 WeakPolarHBondContact O-CB 3.36Å; L451-S454 PolarHBondContact O-N 3.1Å; S454-F456 VanDerWaalsContact C-N 3.34Å; S454-F456 PolarHBondContact O-N 2.84Å; S454-L457 PolarHBondContact O-N 3.05Å; S454-F458 PolarHBondContact O-N 3.08Å
455	G	93.6	Very high	92.4	Very high	4 Å²	4	30.5 Å²	30.5	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-57.7	-42.7	172.5	0	0	0	0	0	113.2	L451 S452 N453 L457 F458 F459	L451-G455 PolarHBondContact O-N 3.25Å; S452-G455 PolarHBondContact O-N 3.23Å; N453-G455 VanDerWaalsContact C-N 3.33Å; G455-L457 PolarHBondContact O-N 2.89Å; G455-F458 PolarHBondContact O-N 3.34Å; G455-F459 WeakPolarHBondContact O-CB 3.19Å; G455-F459 WeakPolarHBondContact O-CD2 3.49Å; G455-F459 PolarHBondContact O-N 2.88Å
456	F	95.3	Very high	92.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-48.4	173.5	154.5	-107.9	0	0	0	112.5	I436 Y440 I443 S452 N453 S454 F458 F459 S460 V520 T524 Q526	I436-F456 HydrophobicContact CG2-CD2 3.69Å; I436-F456 HydrophobicContact CG2-CE2 3.9Å; Y440-F456 HydrophobicContact CD1-CB 4.15Å; Y440-F456 HydrophobicContact CD2-CB 3.72Å; Y440-F456 AromaticContact CD2-CD2 3.95Å; Y440-F456 HydrophobicContact CD2-CD2 3.95Å; Y440-F456 HydrophobicContact CD2-CG 4.25Å; Y440-F456 HydrophobicContact CE1-CB 4.28Å; Y440-F456 HydrophobicContact CE2-CB 3.88Å; Y440-F456 HydrophobicContact CG-CB 3.83Å; Y440-F456 HydrophobicContact CG-CD2 4.46Å; Y440-F456 HydrophobicContact CG-CG 4.43Å; I443-F456 HydrophobicContact CD1-CB 4.22Å; S452-F456 PolarHBondContact O-N 3.24Å; N453-F456 WeakPolarHBondContact O-CB 3.5Å; N453-F456 PolarHBondContact O-N 3.26Å; N453-F456 WeakPolarHBondContact OD1-CD1 3.38Å; S454-F456 VanDerWaalsContact C-N 3.34Å; S454-F456 PolarHBondContact O-N 2.84Å; F456-F458 VanDerWaalsContact C-N 3.33Å; F456-F458 PolarHBondContact O-N 3.23Å; F456-F459 PolarHBondContact O-N 2.89Å; F456-S460 WeakPolarHBondContact CE2-OG 3.1Å; F456-S460 WeakPolarHBondContact O-CB 3.33Å; F456-S460 PolarHBondContact O-N 3.47Å; F456-S460 PolarHBondContact O-OG 3.35Å; F456-V520 HydrophobicContact CE2-CB 3.76Å; F456-V520 HydrophobicContact CE2-CG1 4.42Å; F456-V520 HydrophobicContact CE2-CG2 4.04Å; F456-V520 HydrophobicContact CZ-CB 3.94Å; F456-V520 HydrophobicContact CZ-CG2 3.91Å; F456-T524 HydrophobicContact CD1-CG2 4.4Å; F456-T524 HydrophobicContact CD2-CG2 3.99Å; F456-T524 HydrophobicContact CE1-CG2 4.22Å; F456-T524 HydrophobicContact CE2-CG2 3.8Å; F456-T524 HydrophobicContact CG-CG2 4.3Å; F456-T524 HydrophobicContact CZ-CG2 3.92Å; F456-Q526 HydrophobicContact CE1-CG 4.43Å
457	L	95.1	Very high	93	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-40.9	-180	-66.3	171.6	0	0	0	111.2	N453 S454 G455 S460 M461 F536 F605 I609 I612 Y613	N453-L457 WeakPolarHBondContact O-CG 3.02Å; N453-L457 PolarHBondContact O-N 3.25Å; S454-L457 PolarHBondContact O-N 3.05Å; G455-L457 PolarHBondContact O-N 2.89Å; L457-S460 WeakPolarHBondContact O-CB 3.29Å; L457-S460 PolarHBondContact O-N 3.24Å; L457-M461 PolarHBondContact O-N 2.87Å; L457-M461 VanDerWaalsContact O-N 3.12Å; L457-F536 HydrophobicContact CD2-CD2 4.05Å; L457-F536 HydrophobicContact CD2-CE2 3.57Å; L457-F536 HydrophobicContact CD2-CZ 4.34Å; L457-F605 HydrophobicContact CB-CE2 4.25Å; L457-I609 HydrophobicContact CD1-CD1 3.61Å; L457-I609 HydrophobicContact CD1-CG1 4.3Å; L457-I612 HydrophobicContact CD1-CB 4.21Å; L457-I612 HydrophobicContact CD1-CG1 4.06Å; L457-I612 HydrophobicContact CD1-CG2 4.48Å; L457-I612 HydrophobicContact CD2-CG1 4.03Å; L457-Y613 HydrophobicContact CD1-CE2 4.44Å
458	F	94.7	Very high	93.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-52.5	174.6	175.4	-105.1	0	0	0	112.3	S454 G455 F456 S460 M461 L462 S579 F581 F582 F605	S454-F458 PolarHBondContact O-N 3.08Å; G455-F458 PolarHBondContact O-N 3.34Å; F456-F458 VanDerWaalsContact C-N 3.33Å; F456-F458 PolarHBondContact O-N 3.23Å; F458-S460 PolarHBondContact O-N 2.81Å; F458-M461 PolarHBondContact O-N 3.5Å; F458-M461 VanDerWaalsContact O-N 3.15Å; F458-L462 WeakPolarHBondContact O-CB 3.46Å; F458-L462 PolarHBondContact O-N 2.88Å; F458-S579 VanDerWaalsContact CE2-OG 3.23Å; F458-S579 WeakPolarHBondContact CE2-OG 3.49Å; F458-F581 HydrophobicContact CB-CB 4.28Å; F458-F581 HydrophobicContact CB-CD1 4.32Å; F458-F581 HydrophobicContact CB-CD2 3.77Å; F458-F581 HydrophobicContact CB-CE2 4.18Å; F458-F581 HydrophobicContact CB-CG 3.85Å; F458-F581 HydrophobicContact CD1-CB 4.41Å; F458-F581 AromaticContact CD1-CD1 3.56Å; F458-F581 HydrophobicContact CD1-CD1 3.56Å; F458-F581 AromaticContact CD1-CE1 3.91Å; F458-F581 HydrophobicContact CD1-CE1 3.91Å; F458-F581 AromaticContact CD1-CG 3.9Å; F458-F581 HydrophobicContact CD1-CG 3.9Å; F458-F581 HydrophobicContact CD2-CB 3.51Å; F458-F581 HydrophobicContact CD2-CD1 4.23Å; F458-F581 AromaticContact CD2-CG 3.86Å; F458-F581 HydrophobicContact CD2-CG 3.86Å; F458-F581 AromaticContact CE1-CD1 3.89Å; F458-F581 HydrophobicContact CE1-CD1 3.89Å; F458-F581 HydrophobicContact CE1-CE1 4.4Å; F458-F581 HydrophobicContact CE1-CG 4.47Å; F458-F581 HydrophobicContact CE2-CB 3.94Å; F458-F581 HydrophobicContact CE2-CG 4.45Å; F458-F581 HydrophobicContact CG-CB 3.79Å; F458-F581 AromaticContact CG-CD1 3.75Å; F458-F581 HydrophobicContact CG-CD1 3.75Å; F458-F581 HydrophobicContact CG-CD2 4.03Å; F458-F581 HydrophobicContact CG-CE1 4.36Å; F458-F581 AromaticContact CG-CG 3.56Å; F458-F581 HydrophobicContact CG-CG 3.56Å; F458-F581 HydrophobicContact CZ-CD1 4.37Å; F458-F582 AromaticContact CE1-CE2 3.64Å; F458-F582 HydrophobicContact CE1-CE2 3.64Å; F458-F582 AromaticContact CE1-CZ 3.87Å; F458-F582 HydrophobicContact CE1-CZ 3.87Å; F458-F582 HydrophobicContact CZ-CD2 4.21Å; F458-F582 AromaticContact CZ-CE2 3.52Å; F458-F582 HydrophobicContact CZ-CE2 3.52Å; F458-F582 HydrophobicContact CZ-CZ 4.24Å; F458-F605 HydrophobicContact CB-CD2 3.84Å; F458-F605 HydrophobicContact CB-CE2 3.65Å; F458-F605 HydrophobicContact CB-CZ 4.35Å; F458-F605 HydrophobicContact CD2-CD2 4.32Å; F458-F605 HydrophobicContact CD2-CG 4.4Å
459	F	94.6	Very high	93.8	Very high	85 Å²	85	23.2 Å²	23.2	37%	0.373	12%	0.119	S	C	.	.	H	α-helix	trans	-63.5	-29.2	179.6	-74.6	-57.7	0	0	0	112.6	G455 F456 L462 F463	G455-F459 WeakPolarHBondContact O-CB 3.19Å; G455-F459 WeakPolarHBondContact O-CD2 3.49Å; G455-F459 PolarHBondContact O-N 2.88Å; F456-F459 PolarHBondContact O-N 2.89Å; F459-L462 HydrophobicContact CD1-CD2 3.74Å; F459-L462 HydrophobicContact CE1-CD2 4.19Å; F459-L462 WeakPolarHBondContact O-CB 3.16Å; F459-F463 WeakPolarHBondContact O-CB 3.19Å; F459-F463 PolarHBondContact O-N 2.95Å
460	S	95.1	Very high	94	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-48.5	172.7	-62.2	0	0	0	0	111.8	F456 L457 F458 L462 F463 L464 Y516	F456-S460 WeakPolarHBondContact CE2-OG 3.1Å; F456-S460 WeakPolarHBondContact O-CB 3.33Å; F456-S460 PolarHBondContact O-N 3.47Å; F456-S460 PolarHBondContact O-OG 3.35Å; L457-S460 WeakPolarHBondContact O-CB 3.29Å; L457-S460 PolarHBondContact O-N 3.24Å; F458-S460 PolarHBondContact O-N 2.81Å; S460-L462 VanDerWaalsContact C-N 3.35Å; S460-F463 PolarHBondContact O-N 3.22Å; S460-L464 WeakPolarHBondContact O-CG 3.28Å; S460-L464 PolarHBondContact O-N 3.24Å; S460-L464 VanDerWaalsContact O-N 3.12Å; S460-Y516 WeakPolarHBondContact CA-OH 3.34Å; S460-Y516 PolarHBondContact OG-OH 3.33Å
461	M	94.9	Very high	94.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-38	176.1	-66.2	-55.5	163.8	0	0	112.1	L457 F458 L464 M465 F536 L539 A608	L457-M461 PolarHBondContact O-N 2.87Å; L457-M461 VanDerWaalsContact O-N 3.12Å; F458-M461 PolarHBondContact O-N 3.5Å; F458-M461 VanDerWaalsContact O-N 3.15Å; M461-L464 PolarHBondContact O-N 3.5Å; M461-L464 HydrophobicContact SD-CD1 4.38Å; M461-M465 WeakPolarHBondContact O-CB 3.2Å; M461-M465 PolarHBondContact O-N 3.49Å; M461-F536 HydrophobicContact CE-CD2 4.07Å; M461-F536 HydrophobicContact CE-CE2 3.78Å; M461-L539 HydrophobicContact CE-CB 4.37Å; M461-A608 HydrophobicContact CE-CB 3.77Å
462	L	94.7	Very high	94.3	Very high	34 Å²	34	17.8 Å²	17.8	18%	0.178	10%	0.096	C	C	.	.	H	α-helix	trans	-57.7	-48.5	173.9	178.8	70.7	0	0	0	112.1	F458 F459 S460 M465 F466 L576	F458-L462 WeakPolarHBondContact O-CB 3.46Å; F458-L462 PolarHBondContact O-N 2.88Å; F459-L462 HydrophobicContact CD1-CD2 3.74Å; F459-L462 HydrophobicContact CE1-CD2 4.19Å; F459-L462 WeakPolarHBondContact O-CB 3.16Å; S460-L462 VanDerWaalsContact C-N 3.35Å; L462-M465 HydrophobicContact CD1-CE 4.17Å; L462-M465 WeakPolarHBondContact O-CB 3.13Å; L462-M465 PolarHBondContact O-N 3.19Å; L462-F466 HydrophobicContact CD1-CD2 3.88Å; L462-F466 HydrophobicContact CD1-CE2 3.64Å; L462-F466 HydrophobicContact CG-CD2 4.2Å; L462-F466 HydrophobicContact CG-CE2 4.36Å; L462-F466 PolarHBondContact O-N 2.92Å; L462-F466 VanDerWaalsContact O-N 3.12Å; L462-L576 HydrophobicContact CD1-CD1 3.3Å; L462-L576 HydrophobicContact CD1-CD2 3.26Å; L462-L576 HydrophobicContact CD1-CG 3.85Å
463	F	95.8	Very high	94.4	Very high	27 Å²	27	15 Å²	15	12%	0.118	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-49.6	179.1	169.9	-111.2	0	0	0	111.1	H429 I432 F459 S460 M465 F466 A467 Y516	H429-F463 HydrophobicContact CB-CE1 4.45Å; H429-F463 HydrophobicContact CB-CZ 4.43Å; H429-F463 AromaticContact CD2-CE1 3.69Å; H429-F463 AromaticContact CD2-CZ 3.97Å; H429-F463 AromaticContact CG-CE1 4Å; H429-F463 AromaticContact CG-CZ 3.92Å; I432-F463 HydrophobicContact CB-CD2 4.39Å; I432-F463 HydrophobicContact CB-CE1 4.48Å; I432-F463 HydrophobicContact CB-CE2 4.02Å; I432-F463 HydrophobicContact CB-CZ 4.06Å; I432-F463 HydrophobicContact CD1-CD2 3.87Å; I432-F463 HydrophobicContact CD1-CE2 3.26Å; I432-F463 HydrophobicContact CD1-CZ 3.95Å; I432-F463 HydrophobicContact CG1-CE2 4.21Å; I432-F463 HydrophobicContact CG2-CD1 4.22Å; I432-F463 HydrophobicContact CG2-CD2 3.75Å; I432-F463 HydrophobicContact CG2-CE1 4.33Å; I432-F463 HydrophobicContact CG2-CE2 3.9Å; I432-F463 HydrophobicContact CG2-CG 3.93Å; I432-F463 HydrophobicContact CG2-CZ 4.18Å; F459-F463 WeakPolarHBondContact O-CB 3.19Å; F459-F463 PolarHBondContact O-N 2.95Å; S460-F463 PolarHBondContact O-N 3.22Å; F463-M465 PolarHBondContact O-N 2.97Å; F463-F466 PolarHBondContact O-N 3.37Å; F463-A467 HydrophobicContact CD2-CB 4.46Å; F463-A467 HydrophobicContact CE2-CB 4Å; F463-A467 HydrophobicContact CZ-CB 4.05Å; F463-A467 WeakPolarHBondContact O-CB 3.39Å; F463-A467 PolarHBondContact O-N 3.01Å; F463-Y516 HydrophobicContact CD1-CD1 4.28Å; F463-Y516 AromaticContact CD1-CD2 3.64Å; F463-Y516 HydrophobicContact CD1-CD2 3.64Å; F463-Y516 HydrophobicContact CD1-CE1 4.09Å; F463-Y516 AromaticContact CD1-CE2 3.41Å; F463-Y516 HydrophobicContact CD1-CE2 3.41Å; F463-Y516 VanDerWaalsContact CD1-CE2 3.41Å; F463-Y516 HydrophobicContact CD1-CG 4.07Å; F463-Y516 AromaticContact CD1-CZ 3.67Å; F463-Y516 AromaticContact CE1-CD2 3.46Å; F463-Y516 HydrophobicContact CE1-CD2 3.46Å; F463-Y516 VanDerWaalsContact CE1-CD2 3.46Å; F463-Y516 AromaticContact CE1-CE2 3.71Å; F463-Y516 HydrophobicContact CE1-CE2 3.71Å; F463-Y516 AromaticContact CE1-CG 3.93Å; F463-Y516 HydrophobicContact CE1-CG 3.93Å; F463-Y516 HydrophobicContact CG-CE2 4.36Å
464	L	95.8	Very high	94.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-34.5	179.3	-69.2	177.8	0	0	0	112.7	S460 M461 A468 P513 Y516	S460-L464 WeakPolarHBondContact O-CG 3.28Å; S460-L464 PolarHBondContact O-N 3.24Å; S460-L464 VanDerWaalsContact O-N 3.12Å; M461-L464 PolarHBondContact O-N 3.5Å; M461-L464 HydrophobicContact SD-CD1 4.38Å; L464-A468 WeakPolarHBondContact O-CB 3.09Å; L464-A468 PolarHBondContact O-N 3.47Å; L464-P513 HydrophobicContact CD1-CB 4.49Å; L464-P513 HydrophobicContact CD2-CB 3.77Å; L464-P513 HydrophobicContact CD2-CG 4.11Å; L464-Y516 HydrophobicContact CD1-CD1 4.26Å; L464-Y516 HydrophobicContact CD1-CE1 4.44Å; L464-Y516 HydrophobicContact CD2-CD1 3.68Å; L464-Y516 HydrophobicContact CD2-CE1 4.31Å; L464-Y516 HydrophobicContact CD2-CG 4.18Å; L464-Y516 HydrophobicContact CG-CD1 4.01Å; L464-Y516 HydrophobicContact CG-CE1 4.17Å
465	M	95.4	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.5	-57.6	173.9	-176.4	-159.7	67.5	0	0	111.4	M461 L462 F463 A467 A468 L469 A547 A572 L576 Y600 V601	M461-M465 WeakPolarHBondContact O-CB 3.2Å; M461-M465 PolarHBondContact O-N 3.49Å; L462-M465 HydrophobicContact CD1-CE 4.17Å; L462-M465 WeakPolarHBondContact O-CB 3.13Å; L462-M465 PolarHBondContact O-N 3.19Å; F463-M465 PolarHBondContact O-N 2.97Å; M465-A467 VanDerWaalsContact C-N 3.34Å; M465-A467 PolarHBondContact O-N 3.31Å; M465-A468 PolarHBondContact O-N 2.88Å; M465-L469 VanDerWaalsContact O-CB 3.28Å; M465-L469 WeakPolarHBondContact O-CB 3.29Å; M465-L469 PolarHBondContact O-N 2.82Å; M465-A547 HydrophobicContact CB-CB 4.44Å; M465-A547 HydrophobicContact CG-CB 3.94Å; M465-A572 HydrophobicContact CE-CB 4.03Å; M465-L576 HydrophobicContact CE-CD1 3.95Å; M465-L576 HydrophobicContact CE-CD2 3.69Å; M465-L576 HydrophobicContact CE-CG 3.97Å; M465-L576 HydrophobicContact SD-CD2 3.84Å; M465-L576 HydrophobicContact SD-CG 4.4Å; M465-Y600 HydrophobicContact CG-CE2 4.08Å; M465-Y600 WeakPolarHBondContact CG-OH 3.42Å; M465-V601 HydrophobicContact CG-CG2 4.15Å; M465-V601 HydrophobicContact SD-CG2 3.51Å; M465-V601 VanDerWaalsContact SD-CG2 3.51Å
466	F	94.9	Very high	94	Very high	66 Å²	66	20 Å²	20	29%	0.289	10%	0.103	S	C	.	.	H	α-helix	trans	-66	-37.1	-176.8	-85.2	-63.4	0	0	0	112.8	L462 F463 A468 L469 M470 A572 L576	L462-F466 HydrophobicContact CD1-CD2 3.88Å; L462-F466 HydrophobicContact CD1-CE2 3.64Å; L462-F466 HydrophobicContact CG-CD2 4.2Å; L462-F466 HydrophobicContact CG-CE2 4.36Å; L462-F466 PolarHBondContact O-N 2.92Å; L462-F466 VanDerWaalsContact O-N 3.12Å; F463-F466 PolarHBondContact O-N 3.37Å; F466-A468 PolarHBondContact O-N 2.87Å; F466-L469 PolarHBondContact O-N 2.86Å; F466-M470 HydrophobicContact CD1-CE 3.62Å; F466-M470 HydrophobicContact CD1-CG 4.09Å; F466-M470 HydrophobicContact CE1-CE 3.53Å; F466-M470 PolarHBondContact O-N 3.41Å; F466-M470 VanDerWaalsContact O-N 3.11Å; F466-A572 HydrophobicContact CE1-CB 3.72Å; F466-A572 HydrophobicContact CZ-CB 3.8Å; F466-L576 HydrophobicContact CE2-CD1 3.74Å; F466-L576 HydrophobicContact CZ-CD1 3.98Å
467	A	94.6	Very high	93.7	Very high	18 Å²	18	21.1 Å²	21.1	15%	0.149	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-26.8	178.4	0	0	0	0	0	112.9	F463 M465 P471	F463-A467 HydrophobicContact CD2-CB 4.46Å; F463-A467 HydrophobicContact CE2-CB 4Å; F463-A467 HydrophobicContact CZ-CB 4.05Å; F463-A467 WeakPolarHBondContact O-CB 3.39Å; F463-A467 PolarHBondContact O-N 3.01Å; M465-A467 VanDerWaalsContact C-N 3.34Å; M465-A467 PolarHBondContact O-N 3.31Å; A467-P471 VanDerWaalsContact O-CD 3.31Å; A467-P471 WeakPolarHBondContact O-CD 3.4Å; A467-P471 WeakPolarHBondContact O-CG 3.46Å
468	A	95.3	Very high	93.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-88.8	-43.5	174.4	0	0	0	0	0	113.3	L464 M465 F466 T472 S544 A547 Q548	L464-A468 WeakPolarHBondContact O-CB 3.09Å; L464-A468 PolarHBondContact O-N 3.47Å; M465-A468 PolarHBondContact O-N 2.88Å; F466-A468 PolarHBondContact O-N 2.87Å; A468-T472 PolarHBondContact O-OG1 3.24Å; A468-S544 VanDerWaalsContact CB-O 3.28Å; A468-S544 WeakPolarHBondContact CB-O 3.28Å; A468-S544 WeakPolarHBondContact CB-OG 3.26Å; A468-A547 HydrophobicContact CB-CB 3.94Å; A468-Q548 HydrophobicContact CB-CB 4.36Å
469	L	94.8	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-58.7	-173.8	-178.1	69.5	0	0	0	111.6	M465 F466 T472 V473 A547 L550 G551 I554 A572	M465-L469 VanDerWaalsContact O-CB 3.28Å; M465-L469 WeakPolarHBondContact O-CB 3.29Å; M465-L469 PolarHBondContact O-N 2.82Å; F466-L469 PolarHBondContact O-N 2.86Å; L469-T472 PolarHBondContact O-N 2.69Å; L469-V473 HydrophobicContact CD1-CG2 4.29Å; L469-V473 HydrophobicContact CG-CG2 4.34Å; L469-V473 WeakPolarHBondContact O-CG2 3.4Å; L469-V473 PolarHBondContact O-N 3.44Å; L469-A547 HydrophobicContact CB-CB 4.43Å; L469-A547 VanDerWaalsContact CD1-O 3.25Å; L469-A547 WeakPolarHBondContact CD1-O 3.47Å; L469-L550 HydrophobicContact CD1-CB 4.02Å; L469-L550 HydrophobicContact CD1-CD2 4.14Å; L469-L550 HydrophobicContact CD1-CG 3.99Å; L469-G551 VanDerWaalsContact CD1-N 3.34Å; L469-I554 HydrophobicContact CD1-CD1 4.43Å; L469-A572 HydrophobicContact CD2-CB 4.18Å
470	M	92.7	Very high	92.7	Very high	42 Å²	42	25 Å²	25	21%	0.207	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-45.7	-167.6	-68	-62.1	166.9	0	0	113.8	F466 T472 V473 L474 P569	F466-M470 HydrophobicContact CD1-CE 3.62Å; F466-M470 HydrophobicContact CD1-CG 4.09Å; F466-M470 HydrophobicContact CE1-CE 3.53Å; F466-M470 PolarHBondContact O-N 3.41Å; F466-M470 VanDerWaalsContact O-N 3.11Å; M470-T472 PolarHBondContact O-N 3.08Å; M470-V473 PolarHBondContact O-N 3.38Å; M470-L474 WeakPolarHBondContact O-CG 3.47Å; M470-L474 PolarHBondContact O-N 3.05Å; M470-L474 VanDerWaalsContact O-N 3.15Å; M470-P569 HydrophobicContact CE-CB 4.22Å; M470-P569 HydrophobicContact CE-CG 3.58Å; M470-P569 HydrophobicContact SD-CG 4.4Å
471	P	92.2	Very high	92.3	Very high	24 Å²	24	25.8 Å²	25.8	16%	0.156	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-33.5	177.7	-27	39.1	0	0	0	112.8	A467 T475	A467-P471 VanDerWaalsContact O-CD 3.31Å; A467-P471 WeakPolarHBondContact O-CD 3.4Å; A467-P471 WeakPolarHBondContact O-CG 3.46Å; P471-T475 WeakPolarHBondContact O-CB 3.27Å; P471-T475 WeakPolarHBondContact O-CG2 3.15Å; P471-T475 PolarHBondContact O-N 3.25Å; P471-T475 PolarHBondContact O-OG1 3.2Å
472	T	92.9	Very high	92.2	Very high	10 Å²	10	26.2 Å²	26.2	6%	0.061	14%	0.144	C	C	.	.	H	α-helix	trans	-71.1	-41.8	178.3	-51.6	0	0	0	0	111.5	A468 L469 M470 L474 T475 F476 Q548 L552	A468-T472 PolarHBondContact O-OG1 3.24Å; L469-T472 PolarHBondContact O-N 2.69Å; M470-T472 PolarHBondContact O-N 3.08Å; T472-L474 PolarHBondContact O-N 3.36Å; T472-T475 PolarHBondContact O-N 3.28Å; T472-F476 WeakPolarHBondContact O-CB 3.35Å; T472-F476 PolarHBondContact O-N 3.32Å; T472-F476 VanDerWaalsContact O-N 3.13Å; T472-Q548 HydrophobicContact CG2-CG 4.22Å; T472-Q548 WeakPolarHBondContact OG1-CG 3.42Å; T472-L552 HydrophobicContact CG2-CB 4.18Å
473	V	93.8	Very high	92.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-36.4	175.4	169.9	0	0	0	0	111.8	L469 M470 P477 I554 A564	L469-V473 HydrophobicContact CD1-CG2 4.29Å; L469-V473 HydrophobicContact CG-CG2 4.34Å; L469-V473 WeakPolarHBondContact O-CG2 3.4Å; L469-V473 PolarHBondContact O-N 3.44Å; M470-V473 PolarHBondContact O-N 3.38Å; V473-P477 WeakPolarHBondContact O-CD 3.1Å; V473-P477 VanDerWaalsContact O-CG 3.27Å; V473-P477 WeakPolarHBondContact O-CG 3.4Å; V473-I554 HydrophobicContact CG1-CG2 4.22Å; V473-I554 HydrophobicContact CG2-CB 4.24Å; V473-I554 HydrophobicContact CG2-CD1 4.48Å; V473-I554 HydrophobicContact CG2-CG2 4.2Å; V473-A564 VanDerWaalsContact CG1-C 3.42Å; V473-A564 HydrophobicContact CG1-CB 3.78Å; V473-A564 WeakPolarHBondContact CG1-O 3.32Å
474	L	89.8	Confident	91.8	Very high	70 Å²	70	24.5 Å²	24.5	37%	0.366	14%	0.136	S	C	.	.	H	α-helix	trans	-82.6	-40.2	-177.9	-66.1	173.5	0	0	0	113.6	M470 T472 L561 T565	M470-L474 WeakPolarHBondContact O-CG 3.47Å; M470-L474 PolarHBondContact O-N 3.05Å; M470-L474 VanDerWaalsContact O-N 3.15Å; T472-L474 PolarHBondContact O-N 3.36Å; L474-L561 HydrophobicContact CB-CD1 4.48Å; L474-L561 HydrophobicContact CD2-CD1 3.92Å; L474-L561 WeakPolarHBondContact O-CD1 3.21Å; L474-T565 HydrophobicContact CD2-CG2 4.21Å; L474-T565 WeakPolarHBondContact CD2-OG1 3.41Å
475	T	89.4	Confident	91.4	Very high	37 Å²	37	25 Å²	25	23%	0.227	14%	0.138	C	C	.	.	H	α-helix	trans	-83.2	-38.2	-172	49.7	0	0	0	0	113.3	L421 P471 T472 L478 E479	L421-T475 HydrophobicContact CD2-CG2 3.55Å; P471-T475 WeakPolarHBondContact O-CB 3.27Å; P471-T475 WeakPolarHBondContact O-CG2 3.15Å; P471-T475 PolarHBondContact O-N 3.25Å; P471-T475 PolarHBondContact O-OG1 3.2Å; T472-T475 PolarHBondContact O-N 3.28Å; T475-L478 WeakPolarHBondContact O-CB 3.29Å; T475-L478 PolarHBondContact O-N 3.13Å; T475-E479 PolarHBondContact O-N 3.07Å
476	F	91.4	Very high	91.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-40.8	-174.2	-174.2	-103.3	0	0	0	114.3	T472 L478 E479 L480 L552 A556 L669	T472-F476 WeakPolarHBondContact O-CB 3.35Å; T472-F476 PolarHBondContact O-N 3.32Å; T472-F476 VanDerWaalsContact O-N 3.13Å; F476-L478 PolarHBondContact O-N 3.49Å; F476-E479 PolarHBondContact O-N 3.38Å; F476-L480 HydrophobicContact CE1-CD1 4.41Å; F476-L480 HydrophobicContact CZ-CD1 4.46Å; F476-L480 WeakPolarHBondContact O-CB 3.48Å; F476-L480 PolarHBondContact O-N 3.35Å; F476-L552 HydrophobicContact CB-CD1 4.32Å; F476-L552 HydrophobicContact CD1-CD1 3.83Å; F476-L552 HydrophobicContact CD2-CD1 3.28Å; F476-L552 HydrophobicContact CE1-CD1 3.89Å; F476-L552 HydrophobicContact CE2-CD1 3.34Å; F476-L552 HydrophobicContact CG-CD1 3.52Å; F476-L552 HydrophobicContact CZ-CD1 3.64Å; F476-A556 HydrophobicContact CD1-CB 4.38Å; F476-A556 HydrophobicContact CE1-CB 3.7Å; F476-L669 HydrophobicContact CZ-CD2 4.39Å
477	P	89.6	Confident	91	Very high	24 Å²	24	23.1 Å²	23.1	16%	0.156	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-32.4	175.3	-26.2	35.7	0	0	0	114	V473 L480 A564	V473-P477 WeakPolarHBondContact O-CD 3.1Å; V473-P477 VanDerWaalsContact O-CG 3.27Å; V473-P477 WeakPolarHBondContact O-CG 3.4Å; P477-L480 WeakPolarHBondContact O-CB 3.27Å; P477-A564 HydrophobicContact CG-CB 4.24Å
478	L	85.3	Confident	90.6	Very high	111 Å²	111	22.9 Å²	22.9	58%	0.581	13%	0.126	S	C	*	.	H	α-helix	trans	-71.7	-42.9	177.6	-60.9	173.4	0	0	0	111.2	T475 F476 L480 L561	T475-L478 WeakPolarHBondContact O-CB 3.29Å; T475-L478 PolarHBondContact O-N 3.13Å; F476-L478 PolarHBondContact O-N 3.49Å; L478-L480 VanDerWaalsContact C-N 3.29Å; L478-L480 PolarHBondContact O-N 3.35Å; L478-L561 HydrophobicContact CD2-CD2 4.49Å
479	E	88.8	Confident	90.2	Very high	50 Å²	50	23.6 Å²	23.6	23%	0.234	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-32.4	175	-66.8	-177	174.5	0	0	112.2	T475 F476 G481 V482 F483 K501	T475-E479 PolarHBondContact O-N 3.07Å; F476-E479 PolarHBondContact O-N 3.38Å; E479-G481 VanDerWaalsContact C-N 3.29Å; E479-G481 PolarHBondContact O-N 2.67Å; E479-V482 WeakPolarHBondContact O-CB 3.37Å; E479-V482 PolarHBondContact O-N 3.07Å; E479-V482 VanDerWaalsContact O-N 3.16Å; E479-F483 PolarHBondContact O-N 3.04Å; E479-K501 IonicContact OE1-NZ 2.71Å; E479-K501 WeakPolarHBondContact OE2-CE 3.35Å; E479-K501 IonicContact OE2-NZ 2.72Å; E479-K501 PolarHBondContact OE2-NZ 2.93Å
480	L	89.5	Confident	89.8	Confident	6 Å²	6	25.9 Å²	25.9	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-58.4	-39	-175.8	179.3	64.3	0	0	0	112.7	F476 P477 L478 F483 L484 L669 K672	F476-L480 HydrophobicContact CE1-CD1 4.41Å; F476-L480 HydrophobicContact CZ-CD1 4.46Å; F476-L480 WeakPolarHBondContact O-CB 3.48Å; F476-L480 PolarHBondContact O-N 3.35Å; P477-L480 WeakPolarHBondContact O-CB 3.27Å; L478-L480 VanDerWaalsContact C-N 3.29Å; L478-L480 PolarHBondContact O-N 3.35Å; L480-F483 HydrophobicContact CD1-CD1 3.93Å; L480-F483 WeakPolarHBondContact O-CB 3.31Å; L480-F483 PolarHBondContact O-N 2.98Å; L480-L484 HydrophobicContact CD1-CD1 4.46Å; L480-L484 HydrophobicContact CD1-CG 4.25Å; L480-L484 HydrophobicContact CG-CD1 4.11Å; L480-L484 HydrophobicContact CG-CG 4.34Å; L480-L484 WeakPolarHBondContact O-CG 3.14Å; L480-L484 PolarHBondContact O-N 3.43Å; L480-L669 HydrophobicContact CD1-CD1 3.32Å; L480-K672 HydrophobicContact CD2-CD 3.93Å
481	G	87.5	Confident	89.6	Confident	18 Å²	18	24 Å²	24	19%	0.186	13%	0.129	C	C	.	.	H	α-helix	trans	-67.2	-37.1	179.4	0	0	0	0	0	112.9	E479 L484 R485	E479-G481 VanDerWaalsContact C-N 3.29Å; E479-G481 PolarHBondContact O-N 2.67Å; G481-L484 PolarHBondContact O-N 2.68Å; G481-R485 PolarHBondContact O-N 3.01Å; G481-R485 VanDerWaalsContact O-N 3.15Å
482	V	91.6	Very high	89.6	Confident	9 Å²	9	22.9 Å²	22.9	6%	0.055	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-46.4	172.5	-175.7	0	0	0	0	110.1	M182 L184 E479 R485 E486	M182-V482 HydrophobicContact CB-CG2 4.07Å; L184-V482 HydrophobicContact CD2-CB 4.44Å; L184-V482 HydrophobicContact CD2-CG1 4.05Å; L184-V482 HydrophobicContact CD2-CG2 4.38Å; L184-V482 HydrophobicContact CG-CG1 4.07Å; E479-V482 WeakPolarHBondContact O-CB 3.37Å; E479-V482 PolarHBondContact O-N 3.07Å; E479-V482 VanDerWaalsContact O-N 3.16Å; V482-R485 PolarHBondContact O-N 3.06Å; V482-E486 HydrophobicContact CG1-CG 4.39Å; V482-E486 WeakPolarHBondContact O-CG 3.47Å; V482-E486 PolarHBondContact O-N 2.9Å
483	F	92.6	Very high	89.6	Confident	1 Å²	1	23 Å²	23	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-59.8	-46.9	177.5	162.9	-99.2	0	0	0	112.4	E479 L480 R485 E486 H487 Y492 L494 Y497 L669 I673	E479-F483 PolarHBondContact O-N 3.04Å; L480-F483 HydrophobicContact CD1-CD1 3.93Å; L480-F483 WeakPolarHBondContact O-CB 3.31Å; L480-F483 PolarHBondContact O-N 2.98Å; F483-R485 VanDerWaalsContact C-N 3.34Å; F483-R485 PolarHBondContact O-N 3.05Å; F483-E486 PolarHBondContact O-N 2.89Å; F483-H487 HydrophobicContact CE2-CB 4.11Å; F483-H487 HydrophobicContact CZ-CB 4.12Å; F483-H487 VanDerWaalsContact O-CB 3.25Å; F483-H487 WeakPolarHBondContact O-CB 3.38Å; F483-H487 PolarHBondContact O-N 3.45Å; F483-Y492 AromaticContact CD2-CE2 3.69Å; F483-Y492 HydrophobicContact CD2-CE2 3.69Å; F483-Y492 AromaticContact CE2-CE2 3.76Å; F483-Y492 HydrophobicContact CE2-CE2 3.76Å; F483-L494 HydrophobicContact CE1-CD1 4.21Å; F483-L494 HydrophobicContact CE2-CD1 4.29Å; F483-L494 HydrophobicContact CZ-CB 4.36Å; F483-L494 HydrophobicContact CZ-CD1 3.52Å; F483-Y497 HydrophobicContact CB-CE1 4.16Å; F483-Y497 HydrophobicContact CB-CE2 4.13Å; F483-Y497 HydrophobicContact CD1-CE1 4.37Å; F483-Y497 AromaticContact CD2-CD1 3.27Å; F483-Y497 HydrophobicContact CD2-CD1 3.27Å; F483-Y497 AromaticContact CD2-CD2 3.63Å; F483-Y497 HydrophobicContact CD2-CD2 3.63Å; F483-Y497 AromaticContact CD2-CE1 3.5Å; F483-Y497 HydrophobicContact CD2-CE1 3.5Å; F483-Y497 VanDerWaalsContact CD2-CE1 3.5Å; F483-Y497 AromaticContact CD2-CE2 3.84Å; F483-Y497 HydrophobicContact CD2-CE2 3.84Å; F483-Y497 AromaticContact CD2-CG 3.34Å; F483-Y497 HydrophobicContact CD2-CG 3.34Å; F483-Y497 AromaticContact CD2-CZ 3.77Å; F483-Y497 AromaticContact CE2-CD1 3.35Å; F483-Y497 HydrophobicContact CE2-CD1 3.35Å; F483-Y497 HydrophobicContact CE2-CD2 4.24Å; F483-Y497 AromaticContact CE2-CE1 3.99Å; F483-Y497 HydrophobicContact CE2-CE1 3.99Å; F483-Y497 AromaticContact CE2-CG 3.5Å; F483-Y497 HydrophobicContact CE2-CG 3.5Å; F483-Y497 AromaticContact CG-CD1 3.97Å; F483-Y497 HydrophobicContact CG-CD1 3.97Å; F483-Y497 AromaticContact CG-CE1 3.72Å; F483-Y497 HydrophobicContact CG-CE1 3.72Å; F483-Y497 HydrophobicContact CG-CE2 4.28Å; F483-Y497 HydrophobicContact CG-CG 4.36Å; F483-Y497 AromaticContact CG-CZ 3.89Å; F483-Y497 HydrophobicContact CZ-CD1 4.11Å; F483-L669 HydrophobicContact CD1-CD1 4.39Å; F483-L669 HydrophobicContact CE1-CD1 4.02Å; F483-L669 HydrophobicContact CE1-CD2 4.32Å; F483-L669 HydrophobicContact CE1-CG 4.29Å; F483-I673 HydrophobicContact CE1-CD1 3.77Å; F483-I673 HydrophobicContact CE1-CG1 4.11Å; F483-I673 HydrophobicContact CZ-CD1 3.85Å
484	L	89.1	Confident	89.5	Confident	23 Å²	23	23.6 Å²	23.6	12%	0.12	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-46.4	-179.9	-76.3	172.5	0	0	0	110.8	L480 G481 H487 L488 I673	L480-L484 HydrophobicContact CD1-CD1 4.46Å; L480-L484 HydrophobicContact CD1-CG 4.25Å; L480-L484 HydrophobicContact CG-CD1 4.11Å; L480-L484 HydrophobicContact CG-CG 4.34Å; L480-L484 WeakPolarHBondContact O-CG 3.14Å; L480-L484 PolarHBondContact O-N 3.43Å; G481-L484 PolarHBondContact O-N 2.68Å; L484-H487 PolarHBondContact O-N 2.73Å; L484-L488 VanDerWaalsContact O-CB 3.32Å; L484-L488 WeakPolarHBondContact O-CB 3.41Å; L484-L488 WeakPolarHBondContact O-CG 3.38Å; L484-L488 PolarHBondContact O-N 3.17Å; L484-I673 HydrophobicContact CD2-CG1 3.76Å
485	R	88.7	Confident	89.7	Confident	11 Å²	11	26.7 Å²	26.7	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-59.2	-52.2	175.8	-174.8	-162.4	67.9	-179.2	-4.7	111.9	M178 M182 G481 V482 F483 H487 L488 N489	M178-R485 HydrophobicContact SD-CB 4.24Å; M178-R485 HydrophobicContact SD-CG 4.38Å; M182-R485 PolarHBondContact O-NH1 3.22Å; M182-R485 PolarHBondContact O-NH2 3.28Å; G481-R485 PolarHBondContact O-N 3.01Å; G481-R485 VanDerWaalsContact O-N 3.15Å; V482-R485 PolarHBondContact O-N 3.06Å; F483-R485 VanDerWaalsContact C-N 3.34Å; F483-R485 PolarHBondContact O-N 3.05Å; R485-H487 VanDerWaalsContact C-N 3.32Å; R485-H487 PolarHBondContact O-N 2.86Å; R485-L488 PolarHBondContact O-N 2.99Å; R485-N489 WeakPolarHBondContact O-CB 3.41Å; R485-N489 PolarHBondContact O-N 3.09Å
486	E	91.5	Very high	89.9	Confident	7 Å²	7	25 Å²	25	3%	0.033	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-40.1	-178.6	-71	177	170.6	0	0	111.8	R410 V482 F483 Y490 W491 Y492	R410-E486 IonicContact CZ-OE2 3.89Å; R410-E486 IonicContact NH1-OE1 2.82Å; R410-E486 PolarHBondContact NH1-OE1 3.35Å; R410-E486 IonicContact NH1-OE2 3.64Å; R410-E486 PolarHBondContact NH1-OE2 3.43Å; R410-E486 IonicContact NH2-OE2 3.4Å; V482-E486 HydrophobicContact CG1-CG 4.39Å; V482-E486 WeakPolarHBondContact O-CG 3.47Å; V482-E486 PolarHBondContact O-N 2.9Å; F483-E486 PolarHBondContact O-N 2.89Å; E486-Y490 PolarHBondContact O-N 3.31Å; E486-W491 HydrophobicContact CB-CB 4.18Å; E486-W491 HydrophobicContact CB-CD2 4.1Å; E486-W491 HydrophobicContact CB-CE3 4.45Å; E486-W491 HydrophobicContact CB-CG 3.99Å; E486-W491 HydrophobicContact CG-CD2 3.95Å; E486-W491 HydrophobicContact CG-CE3 4.02Å; E486-W491 HydrophobicContact CG-CG 4.37Å; E486-W491 HydrophobicContact CG-CZ2 4.49Å; E486-W491 HydrophobicContact CG-CZ3 4.33Å; E486-W491 VanDerWaalsContact O-CB 3.26Å; E486-W491 WeakPolarHBondContact O-CB 3.2Å; E486-W491 PolarHBondContact O-N 3.41Å; E486-Y492 HydrophobicContact CB-CE1 3.71Å; E486-Y492 HydrophobicContact CG-CE1 4.41Å; E486-Y492 WeakPolarHBondContact OE2-CE1 3.36Å; E486-Y492 VanDerWaalsContact OE2-CZ 3.24Å; E486-Y492 PolarHBondContact OE2-OH 3.34Å
487	H	89.6	Confident	90	Very high	20 Å²	20	25.2 Å²	25.2	9%	0.093	13%	0.127	C	C	.	.	H	α-helix	trans	-69.4	-42.5	178.5	-176.2	59.2	0	0	0	112.5	F483 L484 R485 N489 Y490 Y492	F483-H487 HydrophobicContact CE2-CB 4.11Å; F483-H487 HydrophobicContact CZ-CB 4.12Å; F483-H487 VanDerWaalsContact O-CB 3.25Å; F483-H487 WeakPolarHBondContact O-CB 3.38Å; F483-H487 PolarHBondContact O-N 3.45Å; L484-H487 PolarHBondContact O-N 2.73Å; R485-H487 VanDerWaalsContact C-N 3.32Å; R485-H487 PolarHBondContact O-N 2.86Å; H487-N489 VanDerWaalsContact C-N 3.34Å; H487-Y490 PolarHBondContact O-N 2.89Å; H487-Y490 VanDerWaalsContact O-N 3.12Å; H487-Y492 PolarHBondContact ND1-O 2.9Å
488	L	86.1	Confident	90.3	Very high	13 Å²	13	25.3 Å²	25.3	7%	0.068	12%	0.124	C	C	.	.	H	α-helix	trans	-69.6	-30.7	178.5	-68.1	173.6	0	0	0	112.5	Y149 L484 R485 Y490 R677	Y149-L488 HydrophobicContact CD2-CD1 4.07Å; Y149-L488 HydrophobicContact CE1-CB 3.91Å; Y149-L488 HydrophobicContact CE2-CB 4.17Å; Y149-L488 HydrophobicContact CE2-CD1 3.77Å; Y149-L488 VanDerWaalsContact OH-CB 3.28Å; Y149-L488 WeakPolarHBondContact OH-CB 3.34Å; L484-L488 VanDerWaalsContact O-CB 3.32Å; L484-L488 WeakPolarHBondContact O-CB 3.41Å; L484-L488 WeakPolarHBondContact O-CG 3.38Å; L484-L488 PolarHBondContact O-N 3.17Å; R485-L488 PolarHBondContact O-N 2.99Å; L488-Y490 WeakPolarHBondContact O-CD2 3.12Å; L488-Y490 PolarHBondContact O-N 3.4Å; L488-R677 HydrophobicContact CD2-CG 4.46Å
489	N	87.2	Confident	90.7	Very high	14 Å²	14	24.3 Å²	24.3	8%	0.075	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	15.6	169.7	-73.7	-20.6	0	0	0	113.5	Y149 Y176 E245 R485 H487 W491	Y149-N489 PolarHBondContact OH-OD1 3Å; Y176-N489 PolarHBondContact N-OD1 3.24Å; Y176-N489 PolarHBondContact O-ND2 3.38Å; Y176-N489 PolarHBondContact O-OD1 2.94Å; E245-N489 VanDerWaalsContact CD-ND2 3.25Å; E245-N489 PolarHBondContact OE1-ND2 2.99Å; R485-N489 WeakPolarHBondContact O-CB 3.41Å; R485-N489 PolarHBondContact O-N 3.09Å; H487-N489 VanDerWaalsContact C-N 3.34Å; N489-W491 PolarHBondContact O-N 2.93Å
490	Y	86.1	Confident	91.1	Very high	48 Å²	48	21.9 Å²	21.9	19%	0.188	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	33.2	173.3	-84.4	-109.8	0	0	0	116	R171 F396 E486 H487 L488	R171-Y490 HydrophobicContact CB-CD2 3.76Å; R171-Y490 HydrophobicContact CB-CE2 3.48Å; R171-Y490 VanDerWaalsContact CB-CE2 3.48Å; R171-Y490 HydrophobicContact CG-CE2 4.09Å; F396-Y490 HydrophobicContact CD1-CD1 4.46Å; F396-Y490 WeakPolarHBondContact CD1-O 3.31Å; F396-Y490 HydrophobicContact CE1-CD1 4.03Å; F396-Y490 HydrophobicContact CE1-CG 4.42Å; E486-Y490 PolarHBondContact O-N 3.31Å; H487-Y490 PolarHBondContact O-N 2.89Å; H487-Y490 VanDerWaalsContact O-N 3.12Å; L488-Y490 WeakPolarHBondContact O-CD2 3.12Å; L488-Y490 PolarHBondContact O-N 3.4Å
491	W	89.9	Confident	91.3	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.015	11%	0.11	C	C	.	.	S	Bend	trans	-71.1	-42	175.8	-68.7	44.9	0	0	0	112.4	L199 K200 L244 E245 E486 N489	L199-W491 HydrophobicContact CD1-CE3 3.99Å; K200-W491 VanDerWaalsContact NZ-CE2 3.33Å; L244-W491 HydrophobicContact CB-CH2 3.88Å; L244-W491 HydrophobicContact CB-CZ2 3.89Å; L244-W491 HydrophobicContact CD1-CH2 4.28Å; L244-W491 HydrophobicContact CD2-CH2 4.11Å; L244-W491 HydrophobicContact CG-CH2 4.31Å; E245-W491 PolarHBondContact OE1-NE1 3.44Å; E245-W491 PolarHBondContact OE2-NE1 3.15Å; E486-W491 HydrophobicContact CB-CB 4.18Å; E486-W491 HydrophobicContact CB-CD2 4.1Å; E486-W491 HydrophobicContact CB-CE3 4.45Å; E486-W491 HydrophobicContact CB-CG 3.99Å; E486-W491 HydrophobicContact CG-CD2 3.95Å; E486-W491 HydrophobicContact CG-CE3 4.02Å; E486-W491 HydrophobicContact CG-CG 4.37Å; E486-W491 HydrophobicContact CG-CZ2 4.49Å; E486-W491 HydrophobicContact CG-CZ3 4.33Å; E486-W491 VanDerWaalsContact O-CB 3.26Å; E486-W491 WeakPolarHBondContact O-CB 3.2Å; E486-W491 PolarHBondContact O-N 3.41Å; N489-W491 PolarHBondContact O-N 2.93Å
492	Y	92.2	Very high	91.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-163.8	168.4	-176	52	-98.7	0	0	0	112.9	L199 F396 L407 F483 E486 H487 Y497	L199-Y492 HydrophobicContact CD1-CD1 3.96Å; L199-Y492 HydrophobicContact CD1-CE1 4.46Å; F396-Y492 WeakPolarHBondContact CE1-O 3.13Å; F396-Y492 WeakPolarHBondContact CZ-O 3.45Å; L407-Y492 HydrophobicContact CD1-CD1 4.14Å; L407-Y492 HydrophobicContact CD1-CD2 3.79Å; L407-Y492 HydrophobicContact CD1-CE2 4.23Å; L407-Y492 HydrophobicContact CD1-CG 3.74Å; L407-Y492 HydrophobicContact CD2-CD1 3.81Å; L407-Y492 HydrophobicContact CD2-CE1 3.67Å; L407-Y492 HydrophobicContact CD2-CE2 4.48Å; L407-Y492 HydrophobicContact CD2-CG 4.27Å; L407-Y492 HydrophobicContact CG-CD1 4.49Å; F483-Y492 AromaticContact CD2-CE2 3.69Å; F483-Y492 HydrophobicContact CD2-CE2 3.69Å; F483-Y492 AromaticContact CE2-CE2 3.76Å; F483-Y492 HydrophobicContact CE2-CE2 3.76Å; E486-Y492 HydrophobicContact CB-CE1 3.71Å; E486-Y492 HydrophobicContact CG-CE1 4.41Å; E486-Y492 WeakPolarHBondContact OE2-CE1 3.36Å; E486-Y492 VanDerWaalsContact OE2-CZ 3.24Å; E486-Y492 PolarHBondContact OE2-OH 3.34Å; H487-Y492 PolarHBondContact ND1-O 2.9Å; Y492-Y497 AromaticContact CE2-CD2 3.89Å; Y492-Y497 HydrophobicContact CE2-CD2 3.89Å; Y492-Y497 AromaticContact CE2-CG 3.94Å; Y492-Y497 HydrophobicContact CE2-CG 3.94Å
493	S	91.6	Very high	91.7	Very high	12 Å²	12	26.6 Å²	26.6	8%	0.084	13%	0.127	C	C	.	.			trans	-80.2	147.9	177.5	69.6	0	0	0	0	113.4	Q403 K495 A496 Y497	Q403-S493 PolarHBondContact OE1-OG 2.85Å; Q403-S493 VanDerWaalsContact OE1-OG 3.08Å; S493-K495 PolarHBondContact O-N 2.73Å; S493-A496 PolarHBondContact O-N 2.92Å; S493-A496 WeakPolarHBondContact OG-CB 3.28Å; S493-A496 PolarHBondContact OG-N 2.98Å; S493-Y497 PolarHBondContact O-N 3.42Å
494	L	92.1	Very high	91.8	Very high	14 Å²	14	26.6 Å²	26.6	7%	0.073	13%	0.126	C	C	.	.	H	α-helix	trans	-53.2	-40.2	172.7	168.2	64.1	0	0	0	112.2	F483 Y497 Y498 Y666 L669 R670 I673	F483-L494 HydrophobicContact CE1-CD1 4.21Å; F483-L494 HydrophobicContact CE2-CD1 4.29Å; F483-L494 HydrophobicContact CZ-CB 4.36Å; F483-L494 HydrophobicContact CZ-CD1 3.52Å; L494-Y497 PolarHBondContact O-N 3.03Å; L494-Y498 WeakPolarHBondContact O-CB 3.49Å; L494-Y498 PolarHBondContact O-N 3.08Å; L494-Y666 HydrophobicContact CD2-CE2 3.87Å; L494-Y666 HydrophobicContact CG-CD2 4.46Å; L494-Y666 HydrophobicContact CG-CE2 3.79Å; L494-L669 HydrophobicContact CD1-CD2 3.52Å; L494-L669 HydrophobicContact CD1-CG 3.79Å; L494-R670 HydrophobicContact CD2-CB 3.81Å; L494-R670 HydrophobicContact CD2-CG 4.12Å; L494-I673 HydrophobicContact CB-CD1 4.32Å; L494-I673 HydrophobicContact CD1-CD1 3.88Å; L494-I673 HydrophobicContact CD2-CD1 3.82Å; L494-I673 HydrophobicContact CG-CD1 4.2Å
495	K	93.1	Very high	91.9	Very high	135 Å²	135	26.3 Å²	26.3	59%	0.587	13%	0.125	S	C	*	.	H	α-helix	trans	-60.3	-48.8	-179.3	-65	-178.8	-177.3	-177.7	0	111.7	S493 Y497 L499 Y666	S493-K495 PolarHBondContact O-N 2.73Å; K495-Y497 PolarHBondContact O-N 3.39Å; K495-L499 WeakPolarHBondContact O-CB 3.23Å; K495-L499 PolarHBondContact O-N 2.97Å; K495-L499 VanDerWaalsContact O-N 3.14Å; K495-Y666 HydrophobicContact CG-CE2 4.42Å; K495-Y666 WeakPolarHBondContact CG-OH 3.36Å
496	A	94.1	Very high	92.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-42.4	-179.5	0	0	0	0	0	111.7	Q403 L407 S493 A500	Q403-A496 HydrophobicContact CB-CB 3.72Å; L407-A496 HydrophobicContact CD1-CB 4.18Å; S493-A496 PolarHBondContact O-N 2.92Å; S493-A496 WeakPolarHBondContact OG-CB 3.28Å; S493-A496 PolarHBondContact OG-N 2.98Å; A496-A500 WeakPolarHBondContact O-CB 3.37Å; A496-A500 PolarHBondContact O-N 3.37Å
497	Y	94.7	Very high	92.2	Very high	8 Å²	8	31.6 Å²	31.6	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-52	176.8	172.4	-98.6	0	0	0	113	F483 Y492 S493 L494 K495 L499 A500 K501	F483-Y497 HydrophobicContact CB-CE1 4.16Å; F483-Y497 HydrophobicContact CB-CE2 4.13Å; F483-Y497 HydrophobicContact CD1-CE1 4.37Å; F483-Y497 AromaticContact CD2-CD1 3.27Å; F483-Y497 HydrophobicContact CD2-CD1 3.27Å; F483-Y497 AromaticContact CD2-CD2 3.63Å; F483-Y497 HydrophobicContact CD2-CD2 3.63Å; F483-Y497 AromaticContact CD2-CE1 3.5Å; F483-Y497 HydrophobicContact CD2-CE1 3.5Å; F483-Y497 VanDerWaalsContact CD2-CE1 3.5Å; F483-Y497 AromaticContact CD2-CE2 3.84Å; F483-Y497 HydrophobicContact CD2-CE2 3.84Å; F483-Y497 AromaticContact CD2-CG 3.34Å; F483-Y497 HydrophobicContact CD2-CG 3.34Å; F483-Y497 AromaticContact CD2-CZ 3.77Å; F483-Y497 AromaticContact CE2-CD1 3.35Å; F483-Y497 HydrophobicContact CE2-CD1 3.35Å; F483-Y497 HydrophobicContact CE2-CD2 4.24Å; F483-Y497 AromaticContact CE2-CE1 3.99Å; F483-Y497 HydrophobicContact CE2-CE1 3.99Å; F483-Y497 AromaticContact CE2-CG 3.5Å; F483-Y497 HydrophobicContact CE2-CG 3.5Å; F483-Y497 AromaticContact CG-CD1 3.97Å; F483-Y497 HydrophobicContact CG-CD1 3.97Å; F483-Y497 AromaticContact CG-CE1 3.72Å; F483-Y497 HydrophobicContact CG-CE1 3.72Å; F483-Y497 HydrophobicContact CG-CE2 4.28Å; F483-Y497 HydrophobicContact CG-CG 4.36Å; F483-Y497 AromaticContact CG-CZ 3.89Å; F483-Y497 HydrophobicContact CZ-CD1 4.11Å; Y492-Y497 AromaticContact CE2-CD2 3.89Å; Y492-Y497 HydrophobicContact CE2-CD2 3.89Å; Y492-Y497 AromaticContact CE2-CG 3.94Å; Y492-Y497 HydrophobicContact CE2-CG 3.94Å; S493-Y497 PolarHBondContact O-N 3.42Å; L494-Y497 PolarHBondContact O-N 3.03Å; K495-Y497 PolarHBondContact O-N 3.39Å; Y497-L499 VanDerWaalsContact C-N 3.3Å; Y497-L499 PolarHBondContact O-N 3.19Å; Y497-A500 PolarHBondContact O-N 3.42Å; Y497-K501 WeakPolarHBondContact O-CB 3.21Å; Y497-K501 PolarHBondContact O-N 2.93Å
498	Y	94.8	Very high	92.2	Very high	27 Å²	27	32 Å²	32	11%	0.106	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-41.2	-175.2	-173.7	-94.3	0	0	0	111.7	L494 T502 L552 R662 Y666 L669	L494-Y498 WeakPolarHBondContact O-CB 3.49Å; L494-Y498 PolarHBondContact O-N 3.08Å; Y498-T502 WeakPolarHBondContact O-CB 3.47Å; Y498-T502 PolarHBondContact O-N 2.89Å; Y498-T502 PolarHBondContact O-OG1 2.94Å; Y498-L552 HydrophobicContact CE2-CD2 3.86Å; Y498-R662 WeakPolarHBondContact OH-CA 3.18Å; Y498-R662 WeakPolarHBondContact OH-CD 3.46Å; Y498-R662 PolarHBondContact OH-O 3.5Å; Y498-Y666 AromaticContact CD1-CD2 3.87Å; Y498-Y666 HydrophobicContact CD1-CD2 3.87Å; Y498-Y666 HydrophobicContact CD2-CD2 4.3Å; Y498-Y666 HydrophobicContact CE1-CD2 4.47Å; Y498-Y666 AromaticContact CG-CD2 3.8Å; Y498-Y666 HydrophobicContact CG-CD2 3.8Å; Y498-L669 HydrophobicContact CD2-CD2 4.12Å
499	L	94.8	Very high	92.5	Very high	89 Å²	89	31.6 Å²	31.6	47%	0.466	16%	0.156	S	C	.	.	H	α-helix	trans	-66.9	-47.2	175.7	-174.8	63.2	0	0	0	111.5	F404 K495 Y497 K501 T502 M503	F404-L499 HydrophobicContact CD2-CB 4.18Å; F404-L499 HydrophobicContact CD2-CD2 3.95Å; F404-L499 HydrophobicContact CD2-CG 3.93Å; F404-L499 HydrophobicContact CE2-CB 4.3Å; F404-L499 HydrophobicContact CE2-CD2 4.01Å; F404-L499 HydrophobicContact CE2-CG 3.7Å; K495-L499 WeakPolarHBondContact O-CB 3.23Å; K495-L499 PolarHBondContact O-N 2.97Å; K495-L499 VanDerWaalsContact O-N 3.14Å; Y497-L499 VanDerWaalsContact C-N 3.3Å; Y497-L499 PolarHBondContact O-N 3.19Å; L499-K501 VanDerWaalsContact C-N 3.34Å; L499-K501 PolarHBondContact O-N 3.19Å; L499-T502 PolarHBondContact O-N 3.05Å; L499-M503 HydrophobicContact CD1-CG 4.13Å; L499-M503 HydrophobicContact CD1-SD 3.9Å; L499-M503 HydrophobicContact CG-CG 4.48Å; L499-M503 HydrophobicContact CG-SD 4.05Å; L499-M503 WeakPolarHBondContact O-CB 3.33Å; L499-M503 WeakPolarHBondContact O-CG 3.35Å; L499-M503 PolarHBondContact O-N 3.44Å
500	A	95.6	Very high	92.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-44.4	178.3	0	0	0	0	0	112.3	F404 L407 F408 A496 Y497 A504	F404-A500 HydrophobicContact CD2-CB 3.86Å; F404-A500 HydrophobicContact CE2-CB 4.14Å; L407-A500 HydrophobicContact CB-CB 3.62Å; F408-A500 HydrophobicContact CB-CB 4.18Å; A496-A500 WeakPolarHBondContact O-CB 3.37Å; A496-A500 PolarHBondContact O-N 3.37Å; Y497-A500 PolarHBondContact O-N 3.42Å; A500-A504 WeakPolarHBondContact O-CB 3.28Å; A500-A504 PolarHBondContact O-N 3.24Å
501	K	93.8	Very high	93.2	Very high	16 Å²	16	34.5 Å²	34.5	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-50.1	177.5	178.2	57.4	175.8	162.7	0	111.5	T411 E479 Y497 L499 M503 A504 D505	T411-K501 HydrophobicContact CG2-CD 3.74Å; E479-K501 IonicContact OE1-NZ 2.71Å; E479-K501 WeakPolarHBondContact OE2-CE 3.35Å; E479-K501 IonicContact OE2-NZ 2.72Å; E479-K501 PolarHBondContact OE2-NZ 2.93Å; Y497-K501 WeakPolarHBondContact O-CB 3.21Å; Y497-K501 PolarHBondContact O-N 2.93Å; L499-K501 VanDerWaalsContact C-N 3.34Å; L499-K501 PolarHBondContact O-N 3.19Å; K501-M503 VanDerWaalsContact C-N 3.33Å; K501-M503 PolarHBondContact O-N 2.75Å; K501-A504 PolarHBondContact O-N 2.83Å; K501-D505 WeakPolarHBondContact CD-OD2 3.26Å; K501-D505 WeakPolarHBondContact CE-OD2 3.4Å; K501-D505 IonicContact NZ-OD1 2.9Å; K501-D505 PolarHBondContact NZ-OD1 3.15Å; K501-D505 IonicContact NZ-OD2 3.78Å; K501-D505 PolarHBondContact NZ-OD2 3.24Å; K501-D505 VanDerWaalsContact NZ-OD2 3.1Å; K501-D505 PolarHBondContact O-N 3.18Å
502	T	93.7	Very high	93.4	Very high	21 Å²	21	34.8 Å²	34.8	13%	0.129	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-43.3	179.7	-61.9	0	0	0	0	111.9	Y498 L499 L506 R662	Y498-T502 WeakPolarHBondContact O-CB 3.47Å; Y498-T502 PolarHBondContact O-N 2.89Å; Y498-T502 PolarHBondContact O-OG1 2.94Å; L499-T502 PolarHBondContact O-N 3.05Å; T502-L506 PolarHBondContact O-N 2.66Å; T502-R662 PolarHBondContact OG1-NH1 3.47Å
503	M	94.6	Very high	93.5	Very high	95 Å²	95	34.8 Å²	34.8	47%	0.468	18%	0.181	S	C	.	.	H	α-helix	trans	-73.4	-32.1	179.2	-65.7	-171.3	77.3	0	0	113	F404 F408 L499 K501 P507	F404-M503 HydrophobicContact CE2-SD 3.77Å; F404-M503 HydrophobicContact CZ-SD 3.55Å; F404-M503 VanDerWaalsContact CZ-SD 3.55Å; F408-M503 HydrophobicContact CD2-CB 4.11Å; F408-M503 HydrophobicContact CE2-CB 4.01Å; L499-M503 HydrophobicContact CD1-CG 4.13Å; L499-M503 HydrophobicContact CD1-SD 3.9Å; L499-M503 HydrophobicContact CG-CG 4.48Å; L499-M503 HydrophobicContact CG-SD 4.05Å; L499-M503 WeakPolarHBondContact O-CB 3.33Å; L499-M503 WeakPolarHBondContact O-CG 3.35Å; L499-M503 PolarHBondContact O-N 3.44Å; K501-M503 VanDerWaalsContact C-N 3.33Å; K501-M503 PolarHBondContact O-N 2.75Å; M503-P507 VanDerWaalsContact O-CD 3.29Å; M503-P507 WeakPolarHBondContact O-CD 3.4Å
504	A	94.1	Very high	93.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.6	-34	178	0	0	0	0	0	112.6	F408 T411 F412 I415 A500 K501 F508	F408-A504 HydrophobicContact CD2-CB 4.02Å; F408-A504 HydrophobicContact CE2-CB 4.12Å; T411-A504 HydrophobicContact CG2-CB 3.71Å; F412-A504 HydrophobicContact CB-CB 4.43Å; I415-A504 HydrophobicContact CD1-CB 4.35Å; A500-A504 WeakPolarHBondContact O-CB 3.28Å; A500-A504 PolarHBondContact O-N 3.24Å; K501-A504 PolarHBondContact O-N 2.83Å; A504-F508 WeakPolarHBondContact O-CD2 3.29Å; A504-F508 WeakPolarHBondContact O-CE2 3.42Å
505	D	91.9	Very high	94	Very high	18 Å²	18	38.4 Å²	38.4	10%	0.096	20%	0.203	C	C	.	.	H	α-helix	trans	-76.9	-29.4	179.8	-68.9	-21.5	0	0	0	113	I415 K501 F508 Q509	I415-D505 WeakPolarHBondContact CD1-OD1 3.32Å; K501-D505 WeakPolarHBondContact CD-OD2 3.26Å; K501-D505 WeakPolarHBondContact CE-OD2 3.4Å; K501-D505 IonicContact NZ-OD1 2.9Å; K501-D505 PolarHBondContact NZ-OD1 3.15Å; K501-D505 IonicContact NZ-OD2 3.78Å; K501-D505 PolarHBondContact NZ-OD2 3.24Å; K501-D505 VanDerWaalsContact NZ-OD2 3.1Å; K501-D505 PolarHBondContact O-N 3.18Å; D505-F508 PolarHBondContact O-N 3.25Å; D505-Q509 PolarHBondContact O-N 3.04Å
506	L	92.6	Very high	94.2	Very high	72 Å²	72	32 Å²	32	38%	0.377	18%	0.175	S	C	.	.	H	α-helix	trans	-57.9	-45.1	-170.6	-173.2	138.9	0	0	0	114.3	T502 F508 Q509 V510 L545	T502-L506 PolarHBondContact O-N 2.66Å; L506-F508 VanDerWaalsContact C-N 3.35Å; L506-F508 PolarHBondContact O-N 3.25Å; L506-Q509 PolarHBondContact O-N 3.15Å; L506-V510 HydrophobicContact CD2-CG2 4.43Å; L506-V510 WeakPolarHBondContact O-CG2 3.27Å; L506-V510 PolarHBondContact O-N 2.95Å; L506-V510 VanDerWaalsContact O-N 3.08Å; L506-L545 HydrophobicContact CD1-CD2 4.42Å; L506-L545 HydrophobicContact CG-CD2 4.39Å
507	P	93.1	Very high	94.3	Very high	56 Å²	56	31.9 Å²	31.9	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-59.4	-43	178.1	-24.8	34.7	0	0	0	113	M503 Q509 V510 V511	M503-P507 VanDerWaalsContact O-CD 3.29Å; M503-P507 WeakPolarHBondContact O-CD 3.4Å; P507-Q509 VanDerWaalsContact C-N 3.34Å; P507-V510 PolarHBondContact O-N 3.48Å; P507-V511 VanDerWaalsContact O-CG2 3.31Å; P507-V511 WeakPolarHBondContact O-CG2 3.28Å; P507-V511 PolarHBondContact O-N 3.38Å
508	F	90.2	Very high	94.3	Very high	29 Å²	29	33.4 Å²	33.4	13%	0.127	19%	0.186	C	C	.	.	H	α-helix	trans	-68.2	-37.7	179.4	-59.8	-78.8	0	0	0	111.5	F412 I415 L416 A504 D505 L506 V510 V511 F512	F412-F508 AromaticContact CD2-CE2 3.68Å; F412-F508 HydrophobicContact CD2-CE2 3.68Å; F412-F508 HydrophobicContact CD2-CZ 4.11Å; F412-F508 AromaticContact CE2-CE2 3.52Å; F412-F508 HydrophobicContact CE2-CE2 3.52Å; F412-F508 AromaticContact CE2-CZ 3.68Å; F412-F508 HydrophobicContact CE2-CZ 3.68Å; F412-F508 HydrophobicContact CZ-CE2 4.33Å; F412-F508 HydrophobicContact CZ-CZ 4.03Å; I415-F508 HydrophobicContact CB-CD2 4.45Å; I415-F508 HydrophobicContact CB-CE2 4.05Å; I415-F508 HydrophobicContact CB-CZ 4.34Å; I415-F508 HydrophobicContact CD1-CD2 4.24Å; I415-F508 HydrophobicContact CD1-CE2 4.2Å; I415-F508 HydrophobicContact CG2-CD1 4.09Å; I415-F508 HydrophobicContact CG2-CD2 3.66Å; I415-F508 HydrophobicContact CG2-CE1 4.06Å; I415-F508 HydrophobicContact CG2-CE2 3.62Å; I415-F508 HydrophobicContact CG2-CG 3.9Å; I415-F508 HydrophobicContact CG2-CZ 3.83Å; L416-F508 HydrophobicContact CD2-CE1 3.64Å; L416-F508 HydrophobicContact CD2-CZ 3.6Å; L416-F508 HydrophobicContact CG-CE1 4.39Å; L416-F508 HydrophobicContact CG-CZ 3.9Å; A504-F508 WeakPolarHBondContact O-CD2 3.29Å; A504-F508 WeakPolarHBondContact O-CE2 3.42Å; D505-F508 PolarHBondContact O-N 3.25Å; L506-F508 VanDerWaalsContact C-N 3.35Å; L506-F508 PolarHBondContact O-N 3.25Å; F508-V510 PolarHBondContact O-N 3.32Å; F508-V511 PolarHBondContact O-N 3.3Å; F508-F512 HydrophobicContact CB-CE2 4.13Å; F508-F512 HydrophobicContact CB-CZ 4.17Å; F508-F512 WeakPolarHBondContact O-CD2 3.38Å; F508-F512 WeakPolarHBondContact O-CE2 3.49Å; F508-F512 WeakPolarHBondContact O-CG 3.34Å; F508-F512 PolarHBondContact O-N 2.98Å
509	Q	92.4	Very high	94.4	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-26.5	177	-163.3	59.9	41.1	0	0	112.9	D505 L506 P507 P513 S544 L545 Q548	D505-Q509 PolarHBondContact O-N 3.04Å; L506-Q509 PolarHBondContact O-N 3.15Å; P507-Q509 VanDerWaalsContact C-N 3.34Å; Q509-P513 WeakPolarHBondContact O-CD 3.25Å; Q509-P513 VanDerWaalsContact O-CG 3.26Å; Q509-P513 WeakPolarHBondContact O-CG 3.49Å; Q509-S544 PolarHBondContact NE2-OG 3.12Å; Q509-L545 HydrophobicContact CB-CD2 4.07Å; Q509-L545 HydrophobicContact CG-CD2 3.82Å; Q509-L545 HydrophobicContact CG-CG 4.49Å; Q509-Q548 HydrophobicContact CG-CB 4.35Å
510	V	94.8	Very high	94.5	Very high	47 Å²	47	29.9 Å²	29.9	29%	0.285	17%	0.169	S	C	.	.	H	α-helix	trans	-81.1	-40.2	174.9	174.5	0	0	0	0	111.3	L506 P507 F508 F512 P513 V514 V541	L506-V510 HydrophobicContact CD2-CG2 4.43Å; L506-V510 WeakPolarHBondContact O-CG2 3.27Å; L506-V510 PolarHBondContact O-N 2.95Å; L506-V510 VanDerWaalsContact O-N 3.08Å; P507-V510 PolarHBondContact O-N 3.48Å; F508-V510 PolarHBondContact O-N 3.32Å; V510-F512 PolarHBondContact O-N 3.34Å; V510-P513 WeakPolarHBondContact O-CD 3.37Å; V510-V514 HydrophobicContact CG1-CG2 4.07Å; V510-V514 WeakPolarHBondContact O-CG2 3.36Å; V510-V514 PolarHBondContact O-N 3.38Å; V510-V541 HydrophobicContact CB-CG1 4.49Å; V510-V541 HydrophobicContact CG1-CG1 4.37Å; V510-V541 HydrophobicContact CG1-CG2 4.43Å; V510-V541 HydrophobicContact CG2-CG1 3.91Å
511	V	94.4	Very high	94.5	Very high	77 Å²	77	29.9 Å²	29.9	47%	0.467	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-42.4	-175.8	169.1	0	0	0	0	112.7	P507 F508 V514 V515	P507-V511 VanDerWaalsContact O-CG2 3.31Å; P507-V511 WeakPolarHBondContact O-CG2 3.28Å; P507-V511 PolarHBondContact O-N 3.38Å; F508-V511 PolarHBondContact O-N 3.3Å; V511-V514 PolarHBondContact O-N 3.07Å; V511-V515 HydrophobicContact CG1-CG2 4.47Å; V511-V515 WeakPolarHBondContact O-CG2 3.4Å; V511-V515 PolarHBondContact O-N 3.24Å; V511-V515 VanDerWaalsContact O-N 3.08Å
512	F	93.6	Very high	94.6	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-46.9	-175.1	-47.5	-46.2	0	0	0	113.8	T422 R425 I426 H429 F508 V510 V514 V515 Y516	T422-F512 HydrophobicContact CG2-CZ 4.33Å; R425-F512 HydrophobicContact CB-CD2 4.31Å; R425-F512 HydrophobicContact CB-CE1 4.45Å; R425-F512 HydrophobicContact CB-CE2 4.06Å; R425-F512 HydrophobicContact CB-CZ 4.13Å; R425-F512 HydrophobicContact CG-CE2 4.49Å; I426-F512 HydrophobicContact CD1-CE1 4.03Å; I426-F512 HydrophobicContact CG1-CD1 3.76Å; I426-F512 HydrophobicContact CG1-CE1 3.41Å; I426-F512 VanDerWaalsContact CG1-CE1 3.41Å; I426-F512 HydrophobicContact CG1-CZ 4.48Å; H429-F512 PolarHBondContact CD2-O 3.44Å; F508-F512 HydrophobicContact CB-CE2 4.13Å; F508-F512 HydrophobicContact CB-CZ 4.17Å; F508-F512 WeakPolarHBondContact O-CD2 3.38Å; F508-F512 WeakPolarHBondContact O-CE2 3.49Å; F508-F512 WeakPolarHBondContact O-CG 3.34Å; F508-F512 PolarHBondContact O-N 2.98Å; V510-F512 PolarHBondContact O-N 3.34Å; F512-V514 VanDerWaalsContact C-N 3.31Å; F512-V514 PolarHBondContact O-N 3.39Å; F512-V515 PolarHBondContact O-N 2.73Å; F512-Y516 PolarHBondContact O-N 3.08Å; F512-Y516 VanDerWaalsContact O-N 3.13Å
513	P	94.8	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-36.9	171.7	-24.6	35.5	0	0	0	112.9	L464 Q509 V510 V515 Y516 C517 V541 S544	L464-P513 HydrophobicContact CD1-CB 4.49Å; L464-P513 HydrophobicContact CD2-CB 3.77Å; L464-P513 HydrophobicContact CD2-CG 4.11Å; Q509-P513 WeakPolarHBondContact O-CD 3.25Å; Q509-P513 VanDerWaalsContact O-CG 3.26Å; Q509-P513 WeakPolarHBondContact O-CG 3.49Å; V510-P513 WeakPolarHBondContact O-CD 3.37Å; P513-V515 PolarHBondContact O-N 3.46Å; P513-Y516 PolarHBondContact O-N 2.68Å; P513-C517 VanDerWaalsContact O-CB 3.29Å; P513-C517 WeakPolarHBondContact O-CB 2.94Å; P513-C517 PolarHBondContact O-N 2.92Å; P513-C517 PolarHBondContact O-SG 3.5Å; P513-C517 VanDerWaalsContact O-SG 3.37Å; P513-V541 HydrophobicContact CB-CG2 4.06Å; P513-S544 WeakPolarHBondContact CG-OG 3.33Å
514	V	96.2	Very high	94.7	Very high	50 Å²	50	33.5 Å²	33.5	30%	0.303	18%	0.178	S	C	.	.	H	α-helix	trans	-60.3	-45.4	177.7	170.6	0	0	0	0	111.6	V510 V511 F512 S518 L537 V541	V510-V514 HydrophobicContact CG1-CG2 4.07Å; V510-V514 WeakPolarHBondContact O-CG2 3.36Å; V510-V514 PolarHBondContact O-N 3.38Å; V511-V514 PolarHBondContact O-N 3.07Å; F512-V514 VanDerWaalsContact C-N 3.31Å; F512-V514 PolarHBondContact O-N 3.39Å; V514-S518 VanDerWaalsContact O-CB 3.31Å; V514-S518 WeakPolarHBondContact O-CB 3.09Å; V514-S518 PolarHBondContact O-N 3.13Å; V514-S518 VanDerWaalsContact O-N 3.07Å; V514-S518 PolarHBondContact O-OG 3.39Å; V514-L537 HydrophobicContact CB-CD1 4.17Å; V514-L537 HydrophobicContact CG1-CD1 4.45Å; V514-L537 HydrophobicContact CG2-CD1 3.83Å; V514-L537 HydrophobicContact CG2-CG 4.5Å; V514-V541 HydrophobicContact CG2-CG2 4.27Å
515	V	96.2	Very high	94.7	Very high	52 Å²	52	35.4 Å²	35.4	32%	0.315	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-48	176.2	173.2	0	0	0	0	110.7	I430 V511 F512 P513 I519	I430-V515 HydrophobicContact CD1-CG1 4.47Å; I430-V515 HydrophobicContact CG1-CG1 3.8Å; V511-V515 HydrophobicContact CG1-CG2 4.47Å; V511-V515 WeakPolarHBondContact O-CG2 3.4Å; V511-V515 PolarHBondContact O-N 3.24Å; V511-V515 VanDerWaalsContact O-N 3.08Å; F512-V515 PolarHBondContact O-N 2.73Å; P513-V515 PolarHBondContact O-N 3.46Å; V515-I519 HydrophobicContact CG1-CD1 4.13Å; V515-I519 WeakPolarHBondContact O-CG1 3.49Å; V515-I519 PolarHBondContact O-N 3.01Å
516	Y	97.3	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-54.1	179.8	172.1	-96.3	0	0	0	112.7	I432 I436 S460 F463 L464 F512 P513 S518 I519 V520	I432-Y516 HydrophobicContact CG2-CE2 4.45Å; I436-Y516 HydrophobicContact CD1-CE2 4.34Å; I436-Y516 VanDerWaalsContact CD1-OH 3.3Å; I436-Y516 WeakPolarHBondContact CD1-OH 3.37Å; S460-Y516 WeakPolarHBondContact CA-OH 3.34Å; S460-Y516 PolarHBondContact OG-OH 3.33Å; F463-Y516 HydrophobicContact CD1-CD1 4.28Å; F463-Y516 AromaticContact CD1-CD2 3.64Å; F463-Y516 HydrophobicContact CD1-CD2 3.64Å; F463-Y516 HydrophobicContact CD1-CE1 4.09Å; F463-Y516 AromaticContact CD1-CE2 3.41Å; F463-Y516 HydrophobicContact CD1-CE2 3.41Å; F463-Y516 VanDerWaalsContact CD1-CE2 3.41Å; F463-Y516 HydrophobicContact CD1-CG 4.07Å; F463-Y516 AromaticContact CD1-CZ 3.67Å; F463-Y516 AromaticContact CE1-CD2 3.46Å; F463-Y516 HydrophobicContact CE1-CD2 3.46Å; F463-Y516 VanDerWaalsContact CE1-CD2 3.46Å; F463-Y516 AromaticContact CE1-CE2 3.71Å; F463-Y516 HydrophobicContact CE1-CE2 3.71Å; F463-Y516 AromaticContact CE1-CG 3.93Å; F463-Y516 HydrophobicContact CE1-CG 3.93Å; F463-Y516 HydrophobicContact CG-CE2 4.36Å; L464-Y516 HydrophobicContact CD1-CD1 4.26Å; L464-Y516 HydrophobicContact CD1-CE1 4.44Å; L464-Y516 HydrophobicContact CD2-CD1 3.68Å; L464-Y516 HydrophobicContact CD2-CE1 4.31Å; L464-Y516 HydrophobicContact CD2-CG 4.18Å; L464-Y516 HydrophobicContact CG-CD1 4.01Å; L464-Y516 HydrophobicContact CG-CE1 4.17Å; F512-Y516 PolarHBondContact O-N 3.08Å; F512-Y516 VanDerWaalsContact O-N 3.13Å; P513-Y516 PolarHBondContact O-N 2.68Å; Y516-S518 VanDerWaalsContact C-N 3.28Å; Y516-S518 PolarHBondContact O-N 3.05Å; Y516-I519 PolarHBondContact O-N 3.44Å; Y516-I519 VanDerWaalsContact O-N 3.11Å; Y516-V520 HydrophobicContact CD1-CG2 4.4Å; Y516-V520 HydrophobicContact CD2-CG1 4.35Å; Y516-V520 HydrophobicContact CE1-CG1 4.33Å; Y516-V520 HydrophobicContact CE1-CG2 4.03Å; Y516-V520 HydrophobicContact CE2-CG1 3.83Å; Y516-V520 WeakPolarHBondContact O-CG2 3.43Å; Y516-V520 PolarHBondContact O-N 3.33Å; Y516-V520 VanDerWaalsContact O-N 3.1Å
517	C	96.3	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-38.8	-178.7	-73.2	0	0	0	0	111.7	P513 I519 Y521 F536 L537	P513-C517 VanDerWaalsContact O-CB 3.29Å; P513-C517 WeakPolarHBondContact O-CB 2.94Å; P513-C517 PolarHBondContact O-N 2.92Å; P513-C517 PolarHBondContact O-SG 3.5Å; P513-C517 VanDerWaalsContact O-SG 3.37Å; C517-I519 VanDerWaalsContact C-N 3.34Å; C517-I519 PolarHBondContact O-N 3.29Å; C517-Y521 WeakPolarHBondContact O-CB 3.18Å; C517-Y521 PolarHBondContact O-N 3.42Å; C517-F536 HydrophobicContact CB-CD1 4.33Å; C517-F536 HydrophobicContact CB-CE1 3.99Å; C517-L537 HydrophobicContact CB-CD1 3.75Å
518	S	95.9	Very high	94.4	Very high	39 Å²	39	34.4 Å²	34.4	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-62.3	-41.1	176.9	-58.1	0	0	0	0	111.8	V514 Y516	V514-S518 VanDerWaalsContact O-CB 3.31Å; V514-S518 WeakPolarHBondContact O-CB 3.09Å; V514-S518 PolarHBondContact O-N 3.13Å; V514-S518 VanDerWaalsContact O-N 3.07Å; V514-S518 PolarHBondContact O-OG 3.39Å; Y516-S518 VanDerWaalsContact C-N 3.28Å; Y516-S518 PolarHBondContact O-N 3.05Å
519	I	96.3	Very high	94.4	Very high	42 Å²	42	36.8 Å²	36.8	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-53.7	178.5	-65.6	165.2	0	0	0	110.4	I430 V434 V515 Y516 C517 Y521 M523	I430-I519 HydrophobicContact CB-CD1 4.48Å; I430-I519 HydrophobicContact CG1-CD1 4.33Å; I430-I519 HydrophobicContact CG2-CD1 4.37Å; V434-I519 HydrophobicContact CG2-CG2 4.17Å; V515-I519 HydrophobicContact CG1-CD1 4.13Å; V515-I519 WeakPolarHBondContact O-CG1 3.49Å; V515-I519 PolarHBondContact O-N 3.01Å; Y516-I519 PolarHBondContact O-N 3.44Å; Y516-I519 VanDerWaalsContact O-N 3.11Å; C517-I519 VanDerWaalsContact C-N 3.34Å; C517-I519 PolarHBondContact O-N 3.29Å; I519-Y521 PolarHBondContact O-N 3.03Å; I519-M523 HydrophobicContact CG2-CG 4.45Å; I519-M523 HydrophobicContact CG2-SD 3.53Å; I519-M523 VanDerWaalsContact CG2-SD 3.53Å; I519-M523 WeakPolarHBondContact O-CB 3.26Å; I519-M523 VanDerWaalsContact O-CG 3.3Å; I519-M523 WeakPolarHBondContact O-CG 3.42Å; I519-M523 PolarHBondContact O-N 2.83Å
520	V	96.5	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-71	-33.3	-171.1	-62.3	0	0	0	0	113.4	G433 I436 F456 Y516 W522 T524 F536	G433-V520 WeakPolarHBondContact O-CG1 3.37Å; I436-V520 HydrophobicContact CB-CG1 4.47Å; I436-V520 HydrophobicContact CG2-CG1 4.35Å; F456-V520 HydrophobicContact CE2-CB 3.76Å; F456-V520 HydrophobicContact CE2-CG1 4.42Å; F456-V520 HydrophobicContact CE2-CG2 4.04Å; F456-V520 HydrophobicContact CZ-CB 3.94Å; F456-V520 HydrophobicContact CZ-CG2 3.91Å; Y516-V520 HydrophobicContact CD1-CG2 4.4Å; Y516-V520 HydrophobicContact CD2-CG1 4.35Å; Y516-V520 HydrophobicContact CE1-CG1 4.33Å; Y516-V520 HydrophobicContact CE1-CG2 4.03Å; Y516-V520 HydrophobicContact CE2-CG1 3.83Å; Y516-V520 WeakPolarHBondContact O-CG2 3.43Å; Y516-V520 PolarHBondContact O-N 3.33Å; Y516-V520 VanDerWaalsContact O-N 3.1Å; V520-W522 PolarHBondContact O-N 2.87Å; V520-T524 WeakPolarHBondContact O-CB 3.28Å; V520-T524 VanDerWaalsContact O-CG2 3.3Å; V520-T524 WeakPolarHBondContact O-CG2 3.41Å; V520-T524 PolarHBondContact O-N 3.03Å; V520-T524 PolarHBondContact O-OG1 2.84Å; V520-F536 HydrophobicContact CG2-CE1 4.29Å; V520-F536 HydrophobicContact CG2-CZ 4.49Å
521	Y	96	Very high	94.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-46.3	-177.9	-169.2	-90.1	0	0	0	111.9	C517 I519 T524 Q526 P527 F533 F536 I612	C517-Y521 WeakPolarHBondContact O-CB 3.18Å; C517-Y521 PolarHBondContact O-N 3.42Å; I519-Y521 PolarHBondContact O-N 3.03Å; Y521-T524 PolarHBondContact O-OG1 2.97Å; Y521-Q526 HydrophobicContact CD1-CB 4.09Å; Y521-Q526 HydrophobicContact CD2-CB 3.83Å; Y521-Q526 HydrophobicContact CD2-CG 3.93Å; Y521-Q526 HydrophobicContact CE1-CB 3.89Å; Y521-Q526 HydrophobicContact CE2-CB 3.64Å; Y521-Q526 HydrophobicContact CE2-CG 4.12Å; Y521-Q526 HydrophobicContact CG-CB 4.07Å; Y521-Q526 HydrophobicContact CG-CG 4.28Å; Y521-Q526 PolarHBondContact O-N 2.9Å; Y521-P527 PolarHBondContact OH-O 3.01Å; Y521-F533 AromaticContact CD1-CD2 3.63Å; Y521-F533 HydrophobicContact CD1-CD2 3.63Å; Y521-F533 HydrophobicContact CD1-CE2 4.36Å; Y521-F533 AromaticContact CD2-CD2 3.97Å; Y521-F533 HydrophobicContact CD2-CD2 3.97Å; Y521-F533 HydrophobicContact CE1-CB 3.97Å; Y521-F533 AromaticContact CE1-CD2 3.93Å; Y521-F533 HydrophobicContact CE1-CD2 3.93Å; Y521-F533 HydrophobicContact CE1-CG 4.4Å; Y521-F533 HydrophobicContact CE2-CB 4.32Å; Y521-F533 HydrophobicContact CE2-CD2 4.23Å; Y521-F533 AromaticContact CG-CD2 3.65Å; Y521-F533 HydrophobicContact CG-CD2 3.65Å; Y521-F533 HydrophobicContact CG-CE2 4.19Å; Y521-F533 PolarHBondContact OH-N 2.9Å; Y521-F536 AromaticContact CD2-CD1 3.8Å; Y521-F536 HydrophobicContact CD2-CD1 3.8Å; Y521-F536 HydrophobicContact CD2-CE1 4.36Å; Y521-F536 HydrophobicContact CD2-CG 4.33Å; Y521-F536 HydrophobicContact CE2-CB 4.37Å; Y521-F536 HydrophobicContact CE2-CD1 4.46Å; Y521-I612 HydrophobicContact CE2-CD1 3.8Å
522	W	95.1	Very high	94.2	Very high	158 Å²	158	36 Å²	36	60%	0.598	21%	0.213	S	C	*	.	H	α-helix	trans	-75.4	-40.1	-179.8	-64.1	117.2	0	0	0	112.5	V520 T524 A525 P528	V520-W522 PolarHBondContact O-N 2.87Å; W522-T524 VanDerWaalsContact C-N 3.34Å; W522-T524 PolarHBondContact O-N 3.39Å; W522-A525 PolarHBondContact O-N 3.16Å; W522-P528 HydrophobicContact CZ3-CB 4.42Å
523	M	95.8	Very high	94.3	Very high	50 Å²	50	37 Å²	37	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-37.1	178.9	-71.9	-178	75.1	0	0	112.9	L438 L441 G442 I519 A525	L438-M523 HydrophobicContact CD2-CE 3.8Å; L438-M523 HydrophobicContact CG-CE 3.82Å; L441-M523 WeakPolarHBondContact CD1-O 3.47Å; G442-M523 PolarHBondContact N-O 3.42Å; I519-M523 HydrophobicContact CG2-CG 4.45Å; I519-M523 HydrophobicContact CG2-SD 3.53Å; I519-M523 VanDerWaalsContact CG2-SD 3.53Å; I519-M523 WeakPolarHBondContact O-CB 3.26Å; I519-M523 VanDerWaalsContact O-CG 3.3Å; I519-M523 WeakPolarHBondContact O-CG 3.42Å; I519-M523 PolarHBondContact O-N 2.83Å; M523-A525 PolarHBondContact O-N 3.39Å
524	T	95.1	Very high	94.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.6	178.8	59.7	0	0	0	0	113.4	Y440 G442 I443 G444 F456 V520 Y521 W522 Q526	Y440-T524 WeakPolarHBondContact O-CA 3.07Å; Y440-T524 WeakPolarHBondContact O-CG2 3.44Å; G442-T524 CarbonylContact C-O 3.56Å; I443-T524 PolarHBondContact N-O 3.17Å; G444-T524 WeakPolarHBondContact CA-O 3.45Å; G444-T524 PolarHBondContact N-O 3.48Å; F456-T524 HydrophobicContact CD1-CG2 4.4Å; F456-T524 HydrophobicContact CD2-CG2 3.99Å; F456-T524 HydrophobicContact CE1-CG2 4.22Å; F456-T524 HydrophobicContact CE2-CG2 3.8Å; F456-T524 HydrophobicContact CG-CG2 4.3Å; F456-T524 HydrophobicContact CZ-CG2 3.92Å; V520-T524 WeakPolarHBondContact O-CB 3.28Å; V520-T524 VanDerWaalsContact O-CG2 3.3Å; V520-T524 WeakPolarHBondContact O-CG2 3.41Å; V520-T524 PolarHBondContact O-N 3.03Å; V520-T524 PolarHBondContact O-OG1 2.84Å; Y521-T524 PolarHBondContact O-OG1 2.97Å; W522-T524 VanDerWaalsContact C-N 3.34Å; W522-T524 PolarHBondContact O-N 3.39Å; T524-Q526 VanDerWaalsContact C-N 3.35Å; T524-Q526 PolarHBondContact O-N 3.41Å; T524-Q526 WeakPolarHBondContact OG1-CG 3.41Å; T524-Q526 PolarHBondContact OG1-NE2 2.91Å
525	A	93.9	Very high	94.2	Very high	39 Å²	39	42.7 Å²	42.7	32%	0.322	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	45.6	-178.4	0	0	0	0	0	113.4	W522 M523	W522-A525 PolarHBondContact O-N 3.16Å; M523-A525 PolarHBondContact O-N 3.39Å
526	Q	93.5	Very high	94.2	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.028	23%	0.225	C	C	.	.			trans	-61.7	160.6	169.9	-60.9	-52.5	-39.2	0	0	110.9	N453 F456 Y521 T524 I612	N453-Q526 PolarHBondContact ND2-OE1 3.02Å; N453-Q526 PolarHBondContact OD1-NE2 3.44Å; F456-Q526 HydrophobicContact CE1-CG 4.43Å; Y521-Q526 HydrophobicContact CD1-CB 4.09Å; Y521-Q526 HydrophobicContact CD2-CB 3.83Å; Y521-Q526 HydrophobicContact CD2-CG 3.93Å; Y521-Q526 HydrophobicContact CE1-CB 3.89Å; Y521-Q526 HydrophobicContact CE2-CB 3.64Å; Y521-Q526 HydrophobicContact CE2-CG 4.12Å; Y521-Q526 HydrophobicContact CG-CB 4.07Å; Y521-Q526 HydrophobicContact CG-CG 4.28Å; Y521-Q526 PolarHBondContact O-N 2.9Å; T524-Q526 VanDerWaalsContact C-N 3.35Å; T524-Q526 PolarHBondContact O-N 3.41Å; T524-Q526 WeakPolarHBondContact OG1-CG 3.41Å; T524-Q526 PolarHBondContact OG1-NE2 2.91Å; Q526-I612 HydrophobicContact CB-CD1 4.3Å; Q526-I612 HydrophobicContact CG-CD1 4.31Å
527	P	90.5	Very high	94.1	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.078	23%	0.23	C	C	.	.			trans	-50.4	129.4	-179.3	-29.8	36.5	0	0	0	112.2	Y521 D529	Y521-P527 PolarHBondContact OH-O 3.01Å; P527-D529 PolarHBondContact O-N 2.75Å
528	P	87.9	Confident	94.1	Very high	108 Å²	108	43.3 Å²	43.3	70%	0.701	24%	0.244	S	C	*	.			trans	-74.9	28.3	-174.1	31.7	-37	0	0	0	114.2	W522	W522-P528 HydrophobicContact CZ3-CB 4.42Å
529	D	90.6	Very high	94.1	Very high	78 Å²	78	41.4 Å²	41.4	42%	0.417	23%	0.231	S	C	.	.			trans	-85.4	129.4	178.5	177.4	48.4	0	0	0	111.6	P527 G531 R532 F533	P527-D529 PolarHBondContact O-N 2.75Å; D529-G531 VanDerWaalsContact C-N 3.3Å; D529-G531 PolarHBondContact O-N 2.9Å; D529-G531 WeakPolarHBondContact OD2-CA 3.31Å; D529-G531 PolarHBondContact OD2-N 2.96Å; D529-R532 HydrophobicContact CB-CB 4.23Å; D529-R532 HydrophobicContact CB-CG 4.06Å; D529-R532 PolarHBondContact O-N 3.44Å; D529-R532 WeakPolarHBondContact OD2-CG 3.32Å; D529-R532 PolarHBondContact OD2-N 2.78Å; D529-F533 PolarHBondContact O-N 3.43Å; D529-F533 VanDerWaalsContact O-N 3.08Å
530	A	91.2	Very high	94.1	Very high	61 Å²	61	39.4 Å²	39.4	50%	0.504	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-38.3	-179.7	0	0	0	0	0	111.8	F533 F534	A530-F533 PolarHBondContact O-N 3.04Å; A530-F534 WeakPolarHBondContact O-CD2 3.31Å; A530-F534 PolarHBondContact O-N 3.26Å; A530-F534 VanDerWaalsContact O-N 3.07Å
531	G	92.9	Very high	94.1	Very high	35 Å²	35	40.3 Å²	40.3	36%	0.361	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-51.8	177.9	0	0	0	0	0	111.7	D529 F533 F534 L535	D529-G531 VanDerWaalsContact C-N 3.3Å; D529-G531 PolarHBondContact O-N 2.9Å; D529-G531 WeakPolarHBondContact OD2-CA 3.31Å; D529-G531 PolarHBondContact OD2-N 2.96Å; G531-F533 VanDerWaalsContact C-N 3.33Å; G531-F533 PolarHBondContact O-N 2.97Å; G531-F534 PolarHBondContact O-N 3.24Å; G531-L535 VanDerWaalsContact O-CG 3.28Å; G531-L535 WeakPolarHBondContact O-CG 3.36Å; G531-L535 PolarHBondContact O-N 3.46Å
532	R	92.9	Very high	94.2	Very high	17 Å²	17	41.9 Å²	41.9	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-40.6	177.3	-64.7	179.2	-172.9	-120.5	-5.6	112.8	D529 L535 F536 S611 I612 G614 M615	D529-R532 HydrophobicContact CB-CB 4.23Å; D529-R532 HydrophobicContact CB-CG 4.06Å; D529-R532 PolarHBondContact O-N 3.44Å; D529-R532 WeakPolarHBondContact OD2-CG 3.32Å; D529-R532 PolarHBondContact OD2-N 2.78Å; R532-L535 PolarHBondContact O-N 3.25Å; R532-F536 PolarHBondContact O-N 3.42Å; R532-S611 VanDerWaalsContact CG-O 3.26Å; R532-S611 WeakPolarHBondContact CG-O 3.14Å; R532-I612 PolarHBondContact NH1-O 2.91Å; R532-G614 PolarHBondContact NH1-O 3.16Å; R532-G614 PolarHBondContact NH2-O 3.26Å; R532-M615 HydrophobicContact CG-CE 3.59Å; R532-M615 PolarHBondContact NH2-O 2.92Å
533	F	94.9	Very high	94.2	Very high	30 Å²	30	34.4 Å²	34.4	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-49.6	176.4	174.8	-107.4	0	0	0	112.2	Y521 D529 A530 G531 L535 F536 L537	Y521-F533 AromaticContact CD1-CD2 3.63Å; Y521-F533 HydrophobicContact CD1-CD2 3.63Å; Y521-F533 HydrophobicContact CD1-CE2 4.36Å; Y521-F533 AromaticContact CD2-CD2 3.97Å; Y521-F533 HydrophobicContact CD2-CD2 3.97Å; Y521-F533 HydrophobicContact CE1-CB 3.97Å; Y521-F533 AromaticContact CE1-CD2 3.93Å; Y521-F533 HydrophobicContact CE1-CD2 3.93Å; Y521-F533 HydrophobicContact CE1-CG 4.4Å; Y521-F533 HydrophobicContact CE2-CB 4.32Å; Y521-F533 HydrophobicContact CE2-CD2 4.23Å; Y521-F533 AromaticContact CG-CD2 3.65Å; Y521-F533 HydrophobicContact CG-CD2 3.65Å; Y521-F533 HydrophobicContact CG-CE2 4.19Å; Y521-F533 PolarHBondContact OH-N 2.9Å; D529-F533 PolarHBondContact O-N 3.43Å; D529-F533 VanDerWaalsContact O-N 3.08Å; A530-F533 PolarHBondContact O-N 3.04Å; G531-F533 VanDerWaalsContact C-N 3.33Å; G531-F533 PolarHBondContact O-N 2.97Å; F533-L535 VanDerWaalsContact C-N 3.32Å; F533-L535 PolarHBondContact O-N 3.38Å; F533-F536 PolarHBondContact O-N 3.42Å; F533-L537 HydrophobicContact CE1-CD2 4.24Å; F533-L537 HydrophobicContact CZ-CD2 4.46Å; F533-L537 VanDerWaalsContact O-CB 3.23Å; F533-L537 WeakPolarHBondContact O-CB 3.41Å; F533-L537 PolarHBondContact O-N 2.95Å
534	F	95.6	Very high	94.3	Very high	129 Å²	129	32 Å²	32	57%	0.566	19%	0.194	S	C	*	.	H	α-helix	trans	-66.9	-32.2	-179.9	-75.5	-63.3	0	0	0	112.9	A530 G531 L537 S538	A530-F534 WeakPolarHBondContact O-CD2 3.31Å; A530-F534 PolarHBondContact O-N 3.26Å; A530-F534 VanDerWaalsContact O-N 3.07Å; G531-F534 PolarHBondContact O-N 3.24Å; F534-L537 HydrophobicContact CD1-CD2 4.2Å; F534-S538 VanDerWaalsContact O-CB 3.26Å; F534-S538 WeakPolarHBondContact O-CB 3.31Å; F534-S538 PolarHBondContact O-N 3.29Å; F534-S538 PolarHBondContact O-OG 3.39Å
535	L	94.7	Very high	94.4	Very high	40 Å²	40	32.8 Å²	32.8	21%	0.209	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-49.9	174	-70.5	169.1	0	0	0	111.5	G531 R532 F533 L537 S538 L539 M615 L647 F651	G531-L535 VanDerWaalsContact O-CG 3.28Å; G531-L535 WeakPolarHBondContact O-CG 3.36Å; G531-L535 PolarHBondContact O-N 3.46Å; R532-L535 PolarHBondContact O-N 3.25Å; F533-L535 VanDerWaalsContact C-N 3.32Å; F533-L535 PolarHBondContact O-N 3.38Å; L535-L537 VanDerWaalsContact C-N 3.32Å; L535-L537 PolarHBondContact O-N 3.45Å; L535-S538 PolarHBondContact O-N 3.07Å; L535-S538 PolarHBondContact O-OG 3.39Å; L535-L539 WeakPolarHBondContact O-CB 3.29Å; L535-L539 WeakPolarHBondContact O-CD1 3.27Å; L535-L539 WeakPolarHBondContact O-CG 3.44Å; L535-L539 PolarHBondContact O-N 3.38Å; L535-M615 HydrophobicContact CD1-CE 3.59Å; L535-M615 HydrophobicContact CD1-SD 3.82Å; L535-L647 HydrophobicContact CD1-CD2 3.82Å; L535-L647 HydrophobicContact CD2-CD2 3.96Å; L535-L647 HydrophobicContact CG-CD2 4.41Å; L535-F651 HydrophobicContact CD2-CE2 3.87Å; L535-F651 HydrophobicContact CD2-CZ 3.98Å
536	F	95.4	Very high	94.5	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-44.6	175.2	176	-108	0	0	0	111.9	L457 M461 C517 V520 Y521 R532 F533 G540 A608	L457-F536 HydrophobicContact CD2-CD2 4.05Å; L457-F536 HydrophobicContact CD2-CE2 3.57Å; L457-F536 HydrophobicContact CD2-CZ 4.34Å; M461-F536 HydrophobicContact CE-CD2 4.07Å; M461-F536 HydrophobicContact CE-CE2 3.78Å; C517-F536 HydrophobicContact CB-CD1 4.33Å; C517-F536 HydrophobicContact CB-CE1 3.99Å; V520-F536 HydrophobicContact CG2-CE1 4.29Å; V520-F536 HydrophobicContact CG2-CZ 4.49Å; Y521-F536 AromaticContact CD2-CD1 3.8Å; Y521-F536 HydrophobicContact CD2-CD1 3.8Å; Y521-F536 HydrophobicContact CD2-CE1 4.36Å; Y521-F536 HydrophobicContact CD2-CG 4.33Å; Y521-F536 HydrophobicContact CE2-CB 4.37Å; Y521-F536 HydrophobicContact CE2-CD1 4.46Å; R532-F536 PolarHBondContact O-N 3.42Å; F533-F536 PolarHBondContact O-N 3.42Å; F536-G540 PolarHBondContact O-N 3.02Å; F536-A608 HydrophobicContact CD2-CB 4.24Å; F536-A608 HydrophobicContact CE2-CB 4.46Å
537	L	96.2	Very high	94.7	Very high	22 Å²	22	30.6 Å²	30.6	12%	0.115	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-49.4	177.9	178.6	66.4	0	0	0	112.2	V514 C517 F533 F534 L535 G540 V541	V514-L537 HydrophobicContact CB-CD1 4.17Å; V514-L537 HydrophobicContact CG1-CD1 4.45Å; V514-L537 HydrophobicContact CG2-CD1 3.83Å; V514-L537 HydrophobicContact CG2-CG 4.5Å; C517-L537 HydrophobicContact CB-CD1 3.75Å; F533-L537 HydrophobicContact CE1-CD2 4.24Å; F533-L537 HydrophobicContact CZ-CD2 4.46Å; F533-L537 VanDerWaalsContact O-CB 3.23Å; F533-L537 WeakPolarHBondContact O-CB 3.41Å; F533-L537 PolarHBondContact O-N 2.95Å; F534-L537 HydrophobicContact CD1-CD2 4.2Å; L535-L537 VanDerWaalsContact C-N 3.32Å; L535-L537 PolarHBondContact O-N 3.45Å; L537-G540 PolarHBondContact O-N 3.35Å; L537-V541 WeakPolarHBondContact O-CG2 3.5Å; L537-V541 PolarHBondContact O-N 2.89Å
538	S	95.9	Very high	95	Very high	41 Å²	41	30.3 Å²	30.3	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-67.7	-36.8	-177.2	54.6	0	0	0	0	112.5	F534 L535 V541 L542 F651	F534-S538 VanDerWaalsContact O-CB 3.26Å; F534-S538 WeakPolarHBondContact O-CB 3.31Å; F534-S538 PolarHBondContact O-N 3.29Å; F534-S538 PolarHBondContact O-OG 3.39Å; L535-S538 PolarHBondContact O-N 3.07Å; L535-S538 PolarHBondContact O-OG 3.39Å; S538-V541 PolarHBondContact O-N 2.91Å; S538-L542 WeakPolarHBondContact O-CB 3.33Å; S538-L542 WeakPolarHBondContact O-CG 3.25Å; S538-L542 PolarHBondContact O-N 3.02Å; S538-F651 WeakPolarHBondContact OG-CE1 3.46Å; S538-F651 VanDerWaalsContact OG-CZ 3.26Å; S538-F651 WeakPolarHBondContact OG-CZ 3.37Å
539	L	95.9	Very high	95.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-42.5	171.8	-72.5	165.9	0	0	0	112.2	M461 L535 L542 T543 G607 L647 F651 L654	M461-L539 HydrophobicContact CE-CB 4.37Å; L535-L539 WeakPolarHBondContact O-CB 3.29Å; L535-L539 WeakPolarHBondContact O-CD1 3.27Å; L535-L539 WeakPolarHBondContact O-CG 3.44Å; L535-L539 PolarHBondContact O-N 3.38Å; L539-L542 PolarHBondContact O-N 3.02Å; L539-T543 WeakPolarHBondContact O-CB 3.26Å; L539-T543 PolarHBondContact O-N 3.27Å; L539-T543 PolarHBondContact O-OG1 3.08Å; L539-G607 VanDerWaalsContact CD1-O 3.24Å; L539-G607 WeakPolarHBondContact CD1-O 3.3Å; L539-L647 HydrophobicContact CD1-CD1 4.21Å; L539-F651 HydrophobicContact CD1-CZ 4.42Å; L539-F651 HydrophobicContact CD2-CD1 4.42Å; L539-F651 HydrophobicContact CD2-CD2 4.39Å; L539-F651 HydrophobicContact CD2-CE1 4.05Å; L539-F651 HydrophobicContact CD2-CE2 4.02Å; L539-F651 HydrophobicContact CD2-CZ 3.83Å; L539-F651 HydrophobicContact CG-CE1 4.13Å; L539-F651 HydrophobicContact CG-CE2 4.14Å; L539-F651 HydrophobicContact CG-CZ 3.66Å; L539-L654 HydrophobicContact CD2-CD1 3.94Å
540	G	96	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-45.2	174.3	0	0	0	0	0	112.2	F536 L537 S544	F536-G540 PolarHBondContact O-N 3.02Å; L537-G540 PolarHBondContact O-N 3.35Å; G540-S544 WeakPolarHBondContact O-CB 3.37Å; G540-S544 PolarHBondContact O-N 3.03Å
541	V	97	Very high	95.9	Very high	18 Å²	18	19.8 Å²	19.8	11%	0.109	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-47	176.1	169.6	0	0	0	0	111.5	V510 P513 V514 L537 S538 S544 L545	V510-V541 HydrophobicContact CB-CG1 4.49Å; V510-V541 HydrophobicContact CG1-CG1 4.37Å; V510-V541 HydrophobicContact CG1-CG2 4.43Å; V510-V541 HydrophobicContact CG2-CG1 3.91Å; P513-V541 HydrophobicContact CB-CG2 4.06Å; V514-V541 HydrophobicContact CG2-CG2 4.27Å; L537-V541 WeakPolarHBondContact O-CG2 3.5Å; L537-V541 PolarHBondContact O-N 2.89Å; S538-V541 PolarHBondContact O-N 2.91Å; V541-S544 WeakPolarHBondContact O-CB 3.38Å; V541-S544 PolarHBondContact O-N 3.4Å; V541-L545 HydrophobicContact CG1-CD1 3.93Å; V541-L545 HydrophobicContact CG1-CG 4.39Å; V541-L545 WeakPolarHBondContact O-CG 3.32Å; V541-L545 PolarHBondContact O-N 3.25Å
542	L	96.6	Very high	95.9	Very high	35 Å²	35	18.3 Å²	18.3	18%	0.183	9%	0.092	C	C	.	.	H	α-helix	trans	-62.3	-45.4	178.8	-81.1	162.6	0	0	0	112.1	S538 L539 S544 L545 V546 F651 L654	S538-L542 WeakPolarHBondContact O-CB 3.33Å; S538-L542 WeakPolarHBondContact O-CG 3.25Å; S538-L542 PolarHBondContact O-N 3.02Å; L539-L542 PolarHBondContact O-N 3.02Å; L542-S544 PolarHBondContact O-N 2.94Å; L542-L545 PolarHBondContact O-N 3.26Å; L542-L545 VanDerWaalsContact O-N 3.15Å; L542-V546 WeakPolarHBondContact O-CG2 3.35Å; L542-V546 PolarHBondContact O-N 3.44Å; L542-F651 HydrophobicContact CD1-CD1 3.32Å; L542-F651 HydrophobicContact CD1-CE1 3.6Å; L542-F651 HydrophobicContact CD1-CG 4.49Å; L542-L654 HydrophobicContact CB-CB 4.32Å; L542-L654 HydrophobicContact CB-CD1 4.13Å
543	T	96.3	Very high	96.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.3	-43	175.5	-57.6	0	0	0	0	110.7	L539 V546 A547 Y600	L539-T543 WeakPolarHBondContact O-CB 3.26Å; L539-T543 PolarHBondContact O-N 3.27Å; L539-T543 PolarHBondContact O-OG1 3.08Å; T543-V546 PolarHBondContact O-N 2.93Å; T543-A547 WeakPolarHBondContact O-CB 3.33Å; T543-A547 PolarHBondContact O-N 3.3Å; T543-Y600 HydrophobicContact CG2-CD2 4.3Å; T543-Y600 HydrophobicContact CG2-CE2 4.24Å
544	S	96.7	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.2	-41.9	176.6	-156.7	0	0	0	0	112.8	A468 Q509 P513 G540 V541 L542 A547 Q548	A468-S544 VanDerWaalsContact CB-O 3.28Å; A468-S544 WeakPolarHBondContact CB-O 3.28Å; A468-S544 WeakPolarHBondContact CB-OG 3.26Å; Q509-S544 PolarHBondContact NE2-OG 3.12Å; P513-S544 WeakPolarHBondContact CG-OG 3.33Å; G540-S544 WeakPolarHBondContact O-CB 3.37Å; G540-S544 PolarHBondContact O-N 3.03Å; V541-S544 WeakPolarHBondContact O-CB 3.38Å; V541-S544 PolarHBondContact O-N 3.4Å; L542-S544 PolarHBondContact O-N 2.94Å; S544-A547 PolarHBondContact O-N 3.28Å; S544-Q548 WeakPolarHBondContact O-CB 3.34Å; S544-Q548 PolarHBondContact O-N 3.11Å
545	L	97	Very high	96	Very high	16 Å²	16	11.8 Å²	11.8	8%	0.084	7%	0.066	C	C	.	.	H	α-helix	trans	-66	-39.3	176.8	-72.3	169.3	0	0	0	112.6	L506 Q509 V541 L542 S549 F658	L506-L545 HydrophobicContact CD1-CD2 4.42Å; L506-L545 HydrophobicContact CG-CD2 4.39Å; Q509-L545 HydrophobicContact CB-CD2 4.07Å; Q509-L545 HydrophobicContact CG-CD2 3.82Å; Q509-L545 HydrophobicContact CG-CG 4.49Å; V541-L545 HydrophobicContact CG1-CD1 3.93Å; V541-L545 HydrophobicContact CG1-CG 4.39Å; V541-L545 WeakPolarHBondContact O-CG 3.32Å; V541-L545 PolarHBondContact O-N 3.25Å; L542-L545 PolarHBondContact O-N 3.26Å; L542-L545 VanDerWaalsContact O-N 3.15Å; L545-S549 WeakPolarHBondContact O-CB 3.16Å; L545-S549 PolarHBondContact O-N 3.32Å; L545-S549 VanDerWaalsContact O-N 3.08Å; L545-S549 PolarHBondContact O-OG 3.37Å; L545-F658 HydrophobicContact CB-CD2 3.91Å; L545-F658 HydrophobicContact CB-CE2 4.08Å; L545-F658 HydrophobicContact CD2-CE2 4.47Å
546	V	97.4	Very high	95.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.4	-47.9	174.6	176	0	0	0	0	110.3	L542 T543 Q548 S549 L550 Y600 L654 F657 F658 L661	L542-V546 WeakPolarHBondContact O-CG2 3.35Å; L542-V546 PolarHBondContact O-N 3.44Å; T543-V546 PolarHBondContact O-N 2.93Å; V546-Q548 VanDerWaalsContact C-N 3.34Å; V546-Q548 PolarHBondContact O-N 3.43Å; V546-S549 WeakPolarHBondContact O-CA 3.49Å; V546-S549 WeakPolarHBondContact O-CB 3.39Å; V546-S549 PolarHBondContact O-N 3.16Å; V546-L550 PolarHBondContact O-N 3.39Å; V546-Y600 HydrophobicContact CB-CD2 3.98Å; V546-Y600 HydrophobicContact CB-CE2 4.36Å; V546-Y600 HydrophobicContact CB-CG 4.31Å; V546-Y600 HydrophobicContact CG1-CD1 3.8Å; V546-Y600 HydrophobicContact CG1-CD2 3.57Å; V546-Y600 HydrophobicContact CG1-CE1 4.28Å; V546-Y600 HydrophobicContact CG1-CE2 4.06Å; V546-Y600 HydrophobicContact CG1-CG 3.41Å; V546-Y600 VanDerWaalsContact CG1-CG 3.41Å; V546-L654 HydrophobicContact CG2-CD2 4.37Å; V546-L654 WeakPolarHBondContact CG2-O 3.41Å; V546-F657 HydrophobicContact CG1-CB 3.87Å; V546-F657 HydrophobicContact CG2-CB 4.09Å; V546-F658 HydrophobicContact CG2-CB 3.97Å; V546-L661 HydrophobicContact CG1-CD1 3.88Å
547	A	96.5	Very high	95.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.9	-42.4	177.1	0	0	0	0	0	112.5	M465 A468 L469 T543 S544 S549 L550 G551 Y600	M465-A547 HydrophobicContact CB-CB 4.44Å; M465-A547 HydrophobicContact CG-CB 3.94Å; A468-A547 HydrophobicContact CB-CB 3.94Å; L469-A547 HydrophobicContact CB-CB 4.43Å; L469-A547 VanDerWaalsContact CD1-O 3.25Å; L469-A547 WeakPolarHBondContact CD1-O 3.47Å; T543-A547 WeakPolarHBondContact O-CB 3.33Å; T543-A547 PolarHBondContact O-N 3.3Å; S544-A547 PolarHBondContact O-N 3.28Å; A547-S549 VanDerWaalsContact C-N 3.3Å; A547-S549 PolarHBondContact O-N 3.48Å; A547-L550 PolarHBondContact O-N 2.97Å; A547-G551 PolarHBondContact O-N 3.33Å; A547-Y600 WeakPolarHBondContact CA-OH 3.26Å; A547-Y600 HydrophobicContact CB-CE2 4Å; A547-Y600 WeakPolarHBondContact CB-OH 3.4Å
548	Q	96.3	Very high	95.4	Very high	5 Å²	5	12.2 Å²	12.2	2%	0.023	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-40.3	173.5	-165.6	-162	22.1	0	0	111.9	A468 T472 Q509 S544 V546 G551 L552	A468-Q548 HydrophobicContact CB-CB 4.36Å; T472-Q548 HydrophobicContact CG2-CG 4.22Å; T472-Q548 WeakPolarHBondContact OG1-CG 3.42Å; Q509-Q548 HydrophobicContact CG-CB 4.35Å; S544-Q548 WeakPolarHBondContact O-CB 3.34Å; S544-Q548 PolarHBondContact O-N 3.11Å; V546-Q548 VanDerWaalsContact C-N 3.34Å; V546-Q548 PolarHBondContact O-N 3.43Å; Q548-G551 PolarHBondContact O-N 3.27Å; Q548-L552 PolarHBondContact O-N 3.45Å
549	S	96.8	Very high	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.2	-38.6	-179.8	-55.6	0	0	0	0	111.9	L545 V546 A547 G551 L552 L553 F658 R662	L545-S549 WeakPolarHBondContact O-CB 3.16Å; L545-S549 PolarHBondContact O-N 3.32Å; L545-S549 VanDerWaalsContact O-N 3.08Å; L545-S549 PolarHBondContact O-OG 3.37Å; V546-S549 WeakPolarHBondContact O-CA 3.49Å; V546-S549 WeakPolarHBondContact O-CB 3.39Å; V546-S549 PolarHBondContact O-N 3.16Å; A547-S549 VanDerWaalsContact C-N 3.3Å; A547-S549 PolarHBondContact O-N 3.48Å; S549-G551 VanDerWaalsContact C-N 3.34Å; S549-L552 PolarHBondContact O-N 3.12Å; S549-L553 PolarHBondContact O-N 3.47Å; S549-F658 WeakPolarHBondContact OG-CD2 3.43Å; S549-R662 PolarHBondContact OG-NE 3.25Å
550	L	96.1	Very high	94.4	Very high	26 Å²	26	18.2 Å²	18.2	14%	0.136	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-41.1	170.1	-178.9	61.4	0	0	0	111.4	L469 V546 A547 L552 L553 I554 Y600 L661	L469-L550 HydrophobicContact CD1-CB 4.02Å; L469-L550 HydrophobicContact CD1-CD2 4.14Å; L469-L550 HydrophobicContact CD1-CG 3.99Å; V546-L550 PolarHBondContact O-N 3.39Å; A547-L550 PolarHBondContact O-N 2.97Å; L550-L552 VanDerWaalsContact C-N 3.33Å; L550-L552 PolarHBondContact O-N 3.31Å; L550-L553 HydrophobicContact CD1-CD2 4.43Å; L550-L553 WeakPolarHBondContact O-CB 3.36Å; L550-L553 PolarHBondContact O-N 3.11Å; L550-I554 HydrophobicContact CD1-CD1 4.27Å; L550-I554 HydrophobicContact CD1-CG1 4.41Å; L550-I554 HydrophobicContact CG-CD1 4.01Å; L550-I554 WeakPolarHBondContact O-CG1 3.27Å; L550-I554 PolarHBondContact O-N 2.81Å; L550-Y600 HydrophobicContact CD2-CE1 4.06Å; L550-L661 HydrophobicContact CB-CD1 4.2Å; L550-L661 HydrophobicContact CD1-CD2 4.43Å
551	G	95.8	Very high	94	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-40	177.2	0	0	0	0	0	112.9	L469 A547 Q548 S549 I554 G555	L469-G551 VanDerWaalsContact CD1-N 3.34Å; A547-G551 PolarHBondContact O-N 3.33Å; Q548-G551 PolarHBondContact O-N 3.27Å; S549-G551 VanDerWaalsContact C-N 3.34Å; G551-I554 PolarHBondContact O-N 3.33Å; G551-G555 PolarHBondContact O-N 2.93Å
552	L	94.9	Very high	93.8	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-42.9	173.3	-177.6	68.6	0	0	0	111.7	T472 F476 Y498 Q548 S549 L550 G555 A556 A665	T472-L552 HydrophobicContact CG2-CB 4.18Å; F476-L552 HydrophobicContact CB-CD1 4.32Å; F476-L552 HydrophobicContact CD1-CD1 3.83Å; F476-L552 HydrophobicContact CD2-CD1 3.28Å; F476-L552 HydrophobicContact CE1-CD1 3.89Å; F476-L552 HydrophobicContact CE2-CD1 3.34Å; F476-L552 HydrophobicContact CG-CD1 3.52Å; F476-L552 HydrophobicContact CZ-CD1 3.64Å; Y498-L552 HydrophobicContact CE2-CD2 3.86Å; Q548-L552 PolarHBondContact O-N 3.45Å; S549-L552 PolarHBondContact O-N 3.12Å; L550-L552 VanDerWaalsContact C-N 3.33Å; L550-L552 PolarHBondContact O-N 3.31Å; L552-G555 PolarHBondContact O-N 2.89Å; L552-A556 VanDerWaalsContact O-CB 3.29Å; L552-A556 WeakPolarHBondContact O-CB 3.28Å; L552-A556 PolarHBondContact O-N 3.33Å; L552-A665 HydrophobicContact CD2-CB 4.32Å; L552-A665 HydrophobicContact CG-CB 4.38Å
553	L	95.8	Very high	93.5	Very high	29 Å²	29	29.9 Å²	29.9	15%	0.152	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-48.7	176.9	175.7	60.2	0	0	0	111.4	S549 L550 A556 A557 L661 I664 A665 V668	S549-L553 PolarHBondContact O-N 3.47Å; L550-L553 HydrophobicContact CD1-CD2 4.43Å; L550-L553 WeakPolarHBondContact O-CB 3.36Å; L550-L553 PolarHBondContact O-N 3.11Å; L553-A556 PolarHBondContact O-N 3.26Å; L553-A557 WeakPolarHBondContact O-CB 3.47Å; L553-A557 PolarHBondContact O-N 3.27Å; L553-L661 HydrophobicContact CD2-CD2 3.94Å; L553-I664 HydrophobicContact CD1-CG2 3.76Å; L553-I664 HydrophobicContact CD2-CG2 4.12Å; L553-A665 HydrophobicContact CB-CB 4.16Å; L553-A665 HydrophobicContact CD1-CB 4.23Å; L553-V668 HydrophobicContact CD1-CB 4.23Å; L553-V668 HydrophobicContact CD1-CG2 3.78Å
554	I	95.3	Very high	93.3	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-45.6	177.4	-66.6	168.4	0	0	0	110.2	L469 V473 L550 G551 A556 A557 S558 V567 T571	L469-I554 HydrophobicContact CD1-CD1 4.43Å; V473-I554 HydrophobicContact CG1-CG2 4.22Å; V473-I554 HydrophobicContact CG2-CB 4.24Å; V473-I554 HydrophobicContact CG2-CD1 4.48Å; V473-I554 HydrophobicContact CG2-CG2 4.2Å; L550-I554 HydrophobicContact CD1-CD1 4.27Å; L550-I554 HydrophobicContact CD1-CG1 4.41Å; L550-I554 HydrophobicContact CG-CD1 4.01Å; L550-I554 WeakPolarHBondContact O-CG1 3.27Å; L550-I554 PolarHBondContact O-N 2.81Å; G551-I554 PolarHBondContact O-N 3.33Å; I554-A556 VanDerWaalsContact C-N 3.34Å; I554-A556 PolarHBondContact O-N 2.74Å; I554-A557 PolarHBondContact O-N 2.84Å; I554-S558 VanDerWaalsContact O-CB 3.27Å; I554-S558 WeakPolarHBondContact O-CB 3.23Å; I554-S558 PolarHBondContact O-N 3.02Å; I554-S558 PolarHBondContact O-OG 3.1Å; I554-V567 HydrophobicContact CD1-CG1 4.36Å; I554-V567 HydrophobicContact CG1-CG1 4.24Å; I554-V567 HydrophobicContact CG2-CB 4.08Å; I554-V567 HydrophobicContact CG2-CG1 3.88Å; I554-T571 HydrophobicContact CD1-CG2 4.45Å; I554-T571 WeakPolarHBondContact CD1-OG1 3.28Å
555	G	92.9	Very high	93	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-39.4	177.8	0	0	0	0	0	112.9	G551 L552	G551-G555 PolarHBondContact O-N 2.93Å; L552-G555 PolarHBondContact O-N 2.89Å
556	A	92.1	Very high	92.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-44	176.8	0	0	0	0	0	112.1	F476 L552 L553 I554 V668 K672	F476-A556 HydrophobicContact CD1-CB 4.38Å; F476-A556 HydrophobicContact CE1-CB 3.7Å; L552-A556 VanDerWaalsContact O-CB 3.29Å; L552-A556 WeakPolarHBondContact O-CB 3.28Å; L552-A556 PolarHBondContact O-N 3.33Å; L553-A556 PolarHBondContact O-N 3.26Å; I554-A556 VanDerWaalsContact C-N 3.34Å; I554-A556 PolarHBondContact O-N 2.74Å; A556-V668 HydrophobicContact CB-CG1 4.17Å; A556-K672 WeakPolarHBondContact O-CD 3.31Å; A556-K672 PolarHBondContact O-NZ 2.88Å
557	A	91.9	Very high	92.6	Very high	60 Å²	60	41.4 Å²	41.4	50%	0.496	23%	0.231	S	C	.	.	H	α-helix	trans	-70.9	-29.8	-178.7	0	0	0	0	0	113.1	L553 I554 V668	L553-A557 WeakPolarHBondContact O-CB 3.47Å; L553-A557 PolarHBondContact O-N 3.27Å; I554-A557 PolarHBondContact O-N 2.84Å; A557-V668 HydrophobicContact CB-CG1 4Å
558	S	90.1	Very high	92.4	Very high	10 Å²	10	41.4 Å²	41.4	7%	0.07	23%	0.231	C	C	.	.			trans	-71.9	137.1	-174.3	-63.1	0	0	0	0	112.5	I554 A564 K672	I554-S558 VanDerWaalsContact O-CB 3.27Å; I554-S558 WeakPolarHBondContact O-CB 3.23Å; I554-S558 PolarHBondContact O-N 3.02Å; I554-S558 PolarHBondContact O-OG 3.1Å; S558-A564 VanDerWaalsContact OG-CA 3.28Å; S558-A564 WeakPolarHBondContact OG-CA 3Å; S558-A564 WeakPolarHBondContact OG-CB 3.29Å; S558-K672 PolarHBondContact O-NZ 3.42Å
559	T	82.5	Confident	92.1	Very high	126 Å²	126	43.6 Å²	43.6	77%	0.773	25%	0.246	S	C	*	.	S	Bend	trans	-83.6	-24.9	177.7	51	0	0	0	0	112.7
560	S	87.7	Confident	92	Very high	42 Å²	42	47.1 Å²	47.1	29%	0.294	27%	0.268	S	S	.	.	S	Bend	trans	-140.2	158.8	176.3	74.5	0	0	0	0	110.9	Q562 V563 A564	S560-Q562 VanDerWaalsContact C-N 3.26Å; S560-Q562 PolarHBondContact O-N 3.45Å; S560-V563 PolarHBondContact O-N 3.29Å; S560-V563 WeakPolarHBondContact OG-CG2 3.37Å; S560-V563 PolarHBondContact OG-N 3.06Å; S560-A564 PolarHBondContact O-N 3.3Å; S560-A564 VanDerWaalsContact O-N 3.15Å
561	L	88.8	Confident	91.8	Very high	69 Å²	69	48.1 Å²	48.1	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-38	176.1	-179	61.7	0	0	0	111.8	L474 L478 V563 A564 T565	L474-L561 HydrophobicContact CB-CD1 4.48Å; L474-L561 HydrophobicContact CD2-CD1 3.92Å; L474-L561 WeakPolarHBondContact O-CD1 3.21Å; L478-L561 HydrophobicContact CD2-CD2 4.49Å; L561-V563 PolarHBondContact O-N 3.49Å; L561-A564 WeakPolarHBondContact O-CB 3.19Å; L561-A564 PolarHBondContact O-N 3.47Å; L561-T565 PolarHBondContact O-N 2.89Å; L561-T565 PolarHBondContact O-OG1 3.34Å
562	Q	91.8	Very high	91.5	Very high	166 Å²	166	48.2 Å²	48.2	78%	0.776	28%	0.275	S	S	*	.	H	α-helix	trans	-62.3	-43.8	179.8	-66.3	164.4	-10.5	0	0	111.8	S560 T565 F566	S560-Q562 VanDerWaalsContact C-N 3.26Å; S560-Q562 PolarHBondContact O-N 3.45Å; Q562-T565 PolarHBondContact O-N 3.48Å; Q562-F566 PolarHBondContact O-N 3.01Å; Q562-F566 VanDerWaalsContact O-N 3.16Å
563	V	91.2	Very high	91.3	Very high	62 Å²	62	52.5 Å²	52.5	38%	0.376	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-43.9	176.3	173.3	0	0	0	0	110.3	S560 L561 T565 F566 V567	S560-V563 PolarHBondContact O-N 3.29Å; S560-V563 WeakPolarHBondContact OG-CG2 3.37Å; S560-V563 PolarHBondContact OG-N 3.06Å; L561-V563 PolarHBondContact O-N 3.49Å; V563-T565 PolarHBondContact O-N 3Å; V563-F566 PolarHBondContact O-N 3.32Å; V563-V567 HydrophobicContact CG1-CG2 4.12Å; V563-V567 VanDerWaalsContact O-CG2 3.27Å; V563-V567 WeakPolarHBondContact O-CG2 3.36Å; V563-V567 PolarHBondContact O-N 3.47Å
564	A	91.3	Very high	91.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-49.1	178.6	0	0	0	0	0	111.8	V473 P477 S558 S560 L561 F566 V567 G568	V473-A564 VanDerWaalsContact CG1-C 3.42Å; V473-A564 HydrophobicContact CG1-CB 3.78Å; V473-A564 WeakPolarHBondContact CG1-O 3.32Å; P477-A564 HydrophobicContact CG-CB 4.24Å; S558-A564 VanDerWaalsContact OG-CA 3.28Å; S558-A564 WeakPolarHBondContact OG-CA 3Å; S558-A564 WeakPolarHBondContact OG-CB 3.29Å; S560-A564 PolarHBondContact O-N 3.3Å; S560-A564 VanDerWaalsContact O-N 3.15Å; L561-A564 WeakPolarHBondContact O-CB 3.19Å; L561-A564 PolarHBondContact O-N 3.47Å; A564-F566 VanDerWaalsContact C-N 3.26Å; A564-F566 PolarHBondContact O-N 3.46Å; A564-V567 PolarHBondContact O-N 3.21Å; A564-G568 PolarHBondContact O-N 3.34Å
565	T	91.3	Very high	90.9	Very high	62 Å²	62	53.6 Å²	53.6	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-32.3	179.6	-52.9	0	0	0	0	112.7	L474 L561 Q562 V563 P569	L474-T565 HydrophobicContact CD2-CG2 4.21Å; L474-T565 WeakPolarHBondContact CD2-OG1 3.41Å; L561-T565 PolarHBondContact O-N 2.89Å; L561-T565 PolarHBondContact O-OG1 3.34Å; Q562-T565 PolarHBondContact O-N 3.48Å; V563-T565 PolarHBondContact O-N 3Å; T565-P569 WeakPolarHBondContact O-CD 3.5Å
566	F	93.1	Very high	90.9	Very high	149 Å²	149	54.5 Å²	54.5	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-76	-43.1	175.7	-177.4	-98.4	0	0	0	112.4	Q562 V563 A564 G568 P569 V570	Q562-F566 PolarHBondContact O-N 3.01Å; Q562-F566 VanDerWaalsContact O-N 3.16Å; V563-F566 PolarHBondContact O-N 3.32Å; A564-F566 VanDerWaalsContact C-N 3.26Å; A564-F566 PolarHBondContact O-N 3.46Å; F566-G568 VanDerWaalsContact C-N 3.32Å; F566-G568 PolarHBondContact O-N 3.08Å; F566-P569 WeakPolarHBondContact O-CD 3.31Å; F566-V570 HydrophobicContact CD1-CG2 4.26Å; F566-V570 HydrophobicContact CE1-CG2 3.9Å; F566-V570 HydrophobicContact CE2-CG2 4.47Å; F566-V570 HydrophobicContact CZ-CG2 4.01Å; F566-V570 VanDerWaalsContact O-CG2 3.26Å; F566-V570 WeakPolarHBondContact O-CG2 3.19Å
567	V	92.6	Very high	90.8	Very high	47 Å²	47	58.7 Å²	58.7	29%	0.285	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-31.8	-177.9	172.8	0	0	0	0	112	I554 V563 A564 V570 T571	I554-V567 HydrophobicContact CD1-CG1 4.36Å; I554-V567 HydrophobicContact CG1-CG1 4.24Å; I554-V567 HydrophobicContact CG2-CB 4.08Å; I554-V567 HydrophobicContact CG2-CG1 3.88Å; V563-V567 HydrophobicContact CG1-CG2 4.12Å; V563-V567 VanDerWaalsContact O-CG2 3.27Å; V563-V567 WeakPolarHBondContact O-CG2 3.36Å; V563-V567 PolarHBondContact O-N 3.47Å; A564-V567 PolarHBondContact O-N 3.21Å; V567-V570 PolarHBondContact O-N 3.23Å; V567-T571 HydrophobicContact CG1-CG2 3.88Å; V567-T571 WeakPolarHBondContact O-CG2 3.37Å; V567-T571 PolarHBondContact O-N 3.19Å; V567-T571 PolarHBondContact O-OG1 3.3Å
568	G	91.6	Very high	90.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-51.8	-63.2	178	0	0	0	0	0	113.4	A564 F566 V570 T571 A572	A564-G568 PolarHBondContact O-N 3.34Å; F566-G568 VanDerWaalsContact C-N 3.32Å; F566-G568 PolarHBondContact O-N 3.08Å; G568-V570 PolarHBondContact O-N 3.44Å; G568-T571 PolarHBondContact O-N 2.84Å; G568-T571 PolarHBondContact O-OG1 3.33Å; G568-A572 PolarHBondContact O-N 3.07Å; G568-A572 VanDerWaalsContact O-N 3.13Å
569	P	91.3	Very high	90.7	Very high	51 Å²	51	56.8 Å²	56.8	33%	0.331	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-37.4	-179.7	-23.3	32.7	0	0	0	113.2	M470 T565 F566 T571 A572 I573	M470-P569 HydrophobicContact CE-CB 4.22Å; M470-P569 HydrophobicContact CE-CG 3.58Å; M470-P569 HydrophobicContact SD-CG 4.4Å; T565-P569 WeakPolarHBondContact O-CD 3.5Å; F566-P569 WeakPolarHBondContact O-CD 3.31Å; P569-T571 VanDerWaalsContact C-N 3.28Å; P569-T571 PolarHBondContact O-N 3.38Å; P569-A572 PolarHBondContact O-N 3.14Å; P569-A572 VanDerWaalsContact O-N 3.1Å; P569-I573 WeakPolarHBondContact O-CG1 3.44Å; P569-I573 PolarHBondContact O-N 2.61Å
570	V	93.4	Very high	90.9	Very high	75 Å²	75	51.1 Å²	51.1	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-37.2	-179.9	171.9	0	0	0	0	111.6	F566 V567 G568 P574	F566-V570 HydrophobicContact CD1-CG2 4.26Å; F566-V570 HydrophobicContact CE1-CG2 3.9Å; F566-V570 HydrophobicContact CE2-CG2 4.47Å; F566-V570 HydrophobicContact CZ-CG2 4.01Å; F566-V570 VanDerWaalsContact O-CG2 3.26Å; F566-V570 WeakPolarHBondContact O-CG2 3.19Å; V567-V570 PolarHBondContact O-N 3.23Å; G568-V570 PolarHBondContact O-N 3.44Å; V570-P574 WeakPolarHBondContact O-CD 3.2Å
571	T	91.7	Very high	90.9	Very high	47 Å²	47	52 Å²	52	29%	0.288	28%	0.278	S	S	.	.	H	α-helix	trans	-77.7	-29.3	174.5	53.9	0	0	0	0	112.8	I554 V567 G568 P569 V575	I554-T571 HydrophobicContact CD1-CG2 4.45Å; I554-T571 WeakPolarHBondContact CD1-OG1 3.28Å; V567-T571 HydrophobicContact CG1-CG2 3.88Å; V567-T571 WeakPolarHBondContact O-CG2 3.37Å; V567-T571 PolarHBondContact O-N 3.19Å; V567-T571 PolarHBondContact O-OG1 3.3Å; G568-T571 PolarHBondContact O-N 2.84Å; G568-T571 PolarHBondContact O-OG1 3.33Å; P569-T571 VanDerWaalsContact C-N 3.28Å; P569-T571 PolarHBondContact O-N 3.38Å; T571-V575 WeakPolarHBondContact O-CG2 3.4Å
572	A	90.5	Very high	90.9	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-70.4	-41.6	178.5	0	0	0	0	0	112.9	M465 F466 L469 G568 P569 V575 L576	M465-A572 HydrophobicContact CE-CB 4.03Å; F466-A572 HydrophobicContact CE1-CB 3.72Å; F466-A572 HydrophobicContact CZ-CB 3.8Å; L469-A572 HydrophobicContact CD2-CB 4.18Å; G568-A572 PolarHBondContact O-N 3.07Å; G568-A572 VanDerWaalsContact O-N 3.13Å; P569-A572 PolarHBondContact O-N 3.14Å; P569-A572 VanDerWaalsContact O-N 3.1Å; A572-V575 WeakPolarHBondContact O-CB 3.41Å; A572-V575 PolarHBondContact O-N 2.87Å; A572-V575 VanDerWaalsContact O-N 3.16Å; A572-L576 VanDerWaalsContact O-CG 3.3Å; A572-L576 WeakPolarHBondContact O-CG 3.34Å; A572-L576 PolarHBondContact O-N 3.46Å
573	I	91.4	Very high	90.6	Very high	94 Å²	94	49.2 Å²	49.2	48%	0.482	27%	0.265	S	S	.	.	H	α-helix	trans	-56.6	-50	-174.3	-68.8	163.4	0	0	0	112.9	P569 V575 L576 L577	P569-I573 WeakPolarHBondContact O-CG1 3.44Å; P569-I573 PolarHBondContact O-N 2.61Å; I573-V575 VanDerWaalsContact C-N 3.34Å; I573-V575 PolarHBondContact O-N 3.34Å; I573-L576 WeakPolarHBondContact O-CB 3.42Å; I573-L576 PolarHBondContact O-N 3Å; I573-L576 VanDerWaalsContact O-N 3.13Å; I573-L577 HydrophobicContact CG2-CD1 3.88Å; I573-L577 HydrophobicContact CG2-CG 4.3Å; I573-L577 WeakPolarHBondContact O-CG 3.49Å; I573-L577 PolarHBondContact O-N 3.1Å
574	P	90.7	Very high	90.2	Very high	45 Å²	45	47.9 Å²	47.9	29%	0.292	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-40.4	177.3	-23.6	34.3	0	0	0	112.8	V570 L576 L577 F578 M595	V570-P574 WeakPolarHBondContact O-CD 3.2Å; P574-L576 PolarHBondContact O-N 3.47Å; P574-L577 PolarHBondContact O-N 3.47Å; P574-F578 VanDerWaalsContact O-CD2 3.27Å; P574-F578 WeakPolarHBondContact O-CD2 3.46Å; P574-F578 PolarHBondContact O-N 3.13Å; P574-M595 HydrophobicContact CB-CE 3.84Å
575	V	92.1	Very high	89.9	Confident	19 Å²	19	49.4 Å²	49.4	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-58	-37.4	176.1	172.2	0	0	0	0	110.5	T571 A572 I573 S599 Y600 V601	T571-V575 WeakPolarHBondContact O-CG2 3.4Å; A572-V575 WeakPolarHBondContact O-CB 3.41Å; A572-V575 PolarHBondContact O-N 2.87Å; A572-V575 VanDerWaalsContact O-N 3.16Å; I573-V575 VanDerWaalsContact C-N 3.34Å; I573-V575 PolarHBondContact O-N 3.34Å; V575-S599 WeakPolarHBondContact CG1-OG 3.06Å; V575-S599 WeakPolarHBondContact O-CB 3.44Å; V575-S599 PolarHBondContact O-OG 2.86Å; V575-Y600 HydrophobicContact CG1-CD1 4.11Å; V575-Y600 HydrophobicContact CG1-CE1 3.88Å; V575-V601 HydrophobicContact CG1-CB 4.02Å; V575-V601 HydrophobicContact CG1-CG2 3.6Å
576	L	91.1	Very high	89.5	Confident	19 Å²	19	52 Å²	52	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-75.1	-43	178.5	-65.3	175.9	0	0	0	114	L462 M465 F466 A572 I573 P574 F578 S579 V601	L462-L576 HydrophobicContact CD1-CD1 3.3Å; L462-L576 HydrophobicContact CD1-CD2 3.26Å; L462-L576 HydrophobicContact CD1-CG 3.85Å; M465-L576 HydrophobicContact CE-CD1 3.95Å; M465-L576 HydrophobicContact CE-CD2 3.69Å; M465-L576 HydrophobicContact CE-CG 3.97Å; M465-L576 HydrophobicContact SD-CD2 3.84Å; M465-L576 HydrophobicContact SD-CG 4.4Å; F466-L576 HydrophobicContact CE2-CD1 3.74Å; F466-L576 HydrophobicContact CZ-CD1 3.98Å; A572-L576 VanDerWaalsContact O-CG 3.3Å; A572-L576 WeakPolarHBondContact O-CG 3.34Å; A572-L576 PolarHBondContact O-N 3.46Å; I573-L576 WeakPolarHBondContact O-CB 3.42Å; I573-L576 PolarHBondContact O-N 3Å; I573-L576 VanDerWaalsContact O-N 3.13Å; P574-L576 PolarHBondContact O-N 3.47Å; L576-F578 VanDerWaalsContact C-N 3.27Å; L576-F578 PolarHBondContact O-N 3.36Å; L576-S579 WeakPolarHBondContact O-CB 3.46Å; L576-S579 PolarHBondContact O-N 3.45Å; L576-S579 PolarHBondContact O-OG 3.05Å; L576-V601 HydrophobicContact CD2-CG1 4.18Å; L576-V601 HydrophobicContact CD2-CG2 4.32Å
577	L	91	Very high	89.3	Confident	89 Å²	89	49.3 Å²	49.3	47%	0.466	27%	0.273	S	S	.	.	H	α-helix	trans	-62.1	-38.1	-178.6	-72.1	172.8	0	0	0	111.7	I573 P574 S579	I573-L577 HydrophobicContact CG2-CD1 3.88Å; I573-L577 HydrophobicContact CG2-CG 4.3Å; I573-L577 WeakPolarHBondContact O-CG 3.49Å; I573-L577 PolarHBondContact O-N 3.1Å; P574-L577 PolarHBondContact O-N 3.47Å; L577-S579 VanDerWaalsContact C-N 3.33Å; L577-S579 PolarHBondContact O-N 3.02Å
578	F	90.3	Very high	89.1	Confident	29 Å²	29	47.4 Å²	47.4	13%	0.127	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	20.5	-179.3	-63.9	-73.7	0	0	0	114.3	P574 L576 G580 I588 L592 M595 S596	P574-F578 VanDerWaalsContact O-CD2 3.27Å; P574-F578 WeakPolarHBondContact O-CD2 3.46Å; P574-F578 PolarHBondContact O-N 3.13Å; L576-F578 VanDerWaalsContact C-N 3.27Å; L576-F578 PolarHBondContact O-N 3.36Å; F578-G580 VanDerWaalsContact C-N 3.27Å; F578-G580 PolarHBondContact O-N 3.4Å; F578-I588 HydrophobicContact CD1-CD1 3.95Å; F578-I588 HydrophobicContact CE1-CD1 4.49Å; F578-I588 HydrophobicContact CE1-CG2 4.19Å; F578-L592 HydrophobicContact CE1-CB 4.19Å; F578-L592 HydrophobicContact CZ-CB 4.29Å; F578-L592 HydrophobicContact CZ-CD1 4.35Å; F578-M595 HydrophobicContact CD1-CB 4.39Å; F578-M595 HydrophobicContact CD2-CB 3.72Å; F578-M595 HydrophobicContact CD2-CE 4Å; F578-M595 HydrophobicContact CD2-SD 4.31Å; F578-M595 HydrophobicContact CE2-CB 3.88Å; F578-M595 HydrophobicContact CE2-CE 3.6Å; F578-M595 HydrophobicContact CE2-CG 4.36Å; F578-M595 HydrophobicContact CE2-SD 3.6Å; F578-M595 VanDerWaalsContact CE2-SD 3.6Å; F578-M595 HydrophobicContact CG-CB 4.01Å; F578-M595 HydrophobicContact CZ-CB 4.26Å; F578-M595 HydrophobicContact CZ-SD 3.98Å; F578-S596 PolarHBondContact O-OG 3.05Å; F578-S596 VanDerWaalsContact O-OG 3.1Å
579	S	90.3	Very high	89.1	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-75.2	-5.9	-179.5	61.1	0	0	0	0	115.1	F458 L576 L577 F581 R602	F458-S579 VanDerWaalsContact CE2-OG 3.23Å; F458-S579 WeakPolarHBondContact CE2-OG 3.49Å; L576-S579 WeakPolarHBondContact O-CB 3.46Å; L576-S579 PolarHBondContact O-N 3.45Å; L576-S579 PolarHBondContact O-OG 3.05Å; L577-S579 VanDerWaalsContact C-N 3.33Å; L577-S579 PolarHBondContact O-N 3.02Å; S579-F581 VanDerWaalsContact C-N 3.34Å; S579-R602 WeakPolarHBondContact O-CA 3.4Å
580	G	86	Confident	89.1	Confident	8 Å²	8	57.6 Å²	57.6	8%	0.082	30%	0.3	C	S	.	.	S	Bend	trans	88.6	-10.4	-176.9	0	0	0	0	0	114.9	F578 V583	F578-G580 VanDerWaalsContact C-N 3.27Å; F578-G580 PolarHBondContact O-N 3.4Å; G580-V583 WeakPolarHBondContact CA-O 3.26Å
581	F	88.4	Confident	89	Confident	60 Å²	60	60.5 Å²	60.5	26%	0.263	30%	0.304	S	S	.	.	S	Bend	trans	-81.3	-46.7	176.2	179.4	-101.2	0	0	0	113.4	F458 S579 F605	F458-F581 HydrophobicContact CB-CB 4.28Å; F458-F581 HydrophobicContact CB-CD1 4.32Å; F458-F581 HydrophobicContact CB-CD2 3.77Å; F458-F581 HydrophobicContact CB-CE2 4.18Å; F458-F581 HydrophobicContact CB-CG 3.85Å; F458-F581 HydrophobicContact CD1-CB 4.41Å; F458-F581 AromaticContact CD1-CD1 3.56Å; F458-F581 HydrophobicContact CD1-CD1 3.56Å; F458-F581 AromaticContact CD1-CE1 3.91Å; F458-F581 HydrophobicContact CD1-CE1 3.91Å; F458-F581 AromaticContact CD1-CG 3.9Å; F458-F581 HydrophobicContact CD1-CG 3.9Å; F458-F581 HydrophobicContact CD2-CB 3.51Å; F458-F581 HydrophobicContact CD2-CD1 4.23Å; F458-F581 AromaticContact CD2-CG 3.86Å; F458-F581 HydrophobicContact CD2-CG 3.86Å; F458-F581 AromaticContact CE1-CD1 3.89Å; F458-F581 HydrophobicContact CE1-CD1 3.89Å; F458-F581 HydrophobicContact CE1-CE1 4.4Å; F458-F581 HydrophobicContact CE1-CG 4.47Å; F458-F581 HydrophobicContact CE2-CB 3.94Å; F458-F581 HydrophobicContact CE2-CG 4.45Å; F458-F581 HydrophobicContact CG-CB 3.79Å; F458-F581 AromaticContact CG-CD1 3.75Å; F458-F581 HydrophobicContact CG-CD1 3.75Å; F458-F581 HydrophobicContact CG-CD2 4.03Å; F458-F581 HydrophobicContact CG-CE1 4.36Å; F458-F581 AromaticContact CG-CG 3.56Å; F458-F581 HydrophobicContact CG-CG 3.56Å; F458-F581 HydrophobicContact CZ-CD1 4.37Å; S579-F581 VanDerWaalsContact C-N 3.34Å; F581-F605 HydrophobicContact CB-CD1 4.33Å; F581-F605 HydrophobicContact CB-CE1 3.89Å; F581-F605 HydrophobicContact CB-CZ 4.15Å; F581-F605 HydrophobicContact CD2-CE1 4.29Å; F581-F605 HydrophobicContact CD2-CE2 4.31Å; F581-F605 AromaticContact CD2-CZ 3.74Å; F581-F605 HydrophobicContact CD2-CZ 3.74Å; F581-F605 HydrophobicContact CG-CZ 4.41Å
582	F	87.1	Confident	89	Confident	118 Å²	118	60.9 Å²	60.9	52%	0.518	30%	0.304	S	S	.	.	S	Bend	trans	-84.1	-33.5	-177.4	-69.7	-68.6	0	0	0	113.5	F458	F458-F582 AromaticContact CE1-CE2 3.64Å; F458-F582 HydrophobicContact CE1-CE2 3.64Å; F458-F582 AromaticContact CE1-CZ 3.87Å; F458-F582 HydrophobicContact CE1-CZ 3.87Å; F458-F582 HydrophobicContact CZ-CD2 4.21Å; F458-F582 AromaticContact CZ-CE2 3.52Å; F458-F582 HydrophobicContact CZ-CE2 3.52Å; F458-F582 HydrophobicContact CZ-CZ 4.24Å
583	V	85.5	Confident	88.9	Confident	58 Å²	58	63.4 Å²	63.4	35%	0.352	32%	0.316	S	S	.	.	S	Bend	trans	-137.3	121.3	-179.3	-170.7	0	0	0	0	106.9	G580 T587 I588	G580-V583 WeakPolarHBondContact CA-O 3.26Å; V583-T587 WeakPolarHBondContact CG1-OG1 3.43Å; V583-I588 HydrophobicContact CB-CG1 4.32Å; V583-I588 HydrophobicContact CG1-CD1 4.42Å; V583-I588 HydrophobicContact CG1-CG1 3.54Å
584	S	84.3	Confident	88.8	Confident	35 Å²	35	66 Å²	66	25%	0.245	32%	0.32	C	S	.	.			trans	-70	152.1	175.3	58.2	0	0	0	0	110.6	D586 T587 I588	S584-D586 PolarHBondContact O-N 2.7Å; S584-T587 PolarHBondContact O-N 2.88Å; S584-T587 PolarHBondContact O-OG1 3.15Å; S584-T587 VanDerWaalsContact OG-CG2 3.25Å; S584-T587 WeakPolarHBondContact OG-CG2 3.25Å; S584-T587 PolarHBondContact OG-OG1 3.12Å; S584-I588 WeakPolarHBondContact O-CG1 3.5Å
585	F	83.6	Confident	88.8	Confident	32 Å²	32	66.2 Å²	66.2	14%	0.14	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.1	-44.4	-171.6	-178.6	-99.4	0	0	0	113	T587 I588 Q593 Y597	F585-T587 PolarHBondContact O-N 3.42Å; F585-I588 WeakPolarHBondContact O-CB 3.46Å; F585-I588 PolarHBondContact O-N 3.37Å; F585-I588 VanDerWaalsContact O-N 3.15Å; F585-Q593 HydrophobicContact CE2-CB 4.14Å; F585-Q593 HydrophobicContact CE2-CG 4.33Å; F585-Q593 HydrophobicContact CZ-CB 4.24Å; F585-Q593 HydrophobicContact CZ-CG 4.31Å; F585-Y597 HydrophobicContact CE2-CE1 4.32Å; F585-Y597 AromaticContact CE2-CE2 3.92Å; F585-Y597 HydrophobicContact CE2-CE2 3.92Å; F585-Y597 AromaticContact CE2-CZ 3.74Å; F585-Y597 HydrophobicContact CZ-CE1 4.44Å; F585-Y597 AromaticContact CZ-CE2 3.9Å; F585-Y597 HydrophobicContact CZ-CE2 3.9Å; F585-Y597 AromaticContact CZ-CZ 3.57Å; F585-Y597 WeakPolarHBondContact CZ-OH 3.34Å
586	D	84.3	Confident	88.7	Confident	116 Å²	116	65.4 Å²	65.4	62%	0.62	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-62	-26.2	178.6	-76.6	-16	0	0	0	114.9	S584 D641	S584-D586 PolarHBondContact O-N 2.7Å; D586-D641 VanDerWaalsContact CG-OD2 3.28Å; D586-D641 PolarHBondContact N-OD2 3.42Å
587	T	87.3	Confident	88.7	Confident	93 Å²	93	70.3 Å²	70.3	57%	0.571	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-86	-12.1	179.7	61.3	0	0	0	0	112.9	V583 S584 F585	V583-T587 WeakPolarHBondContact CG1-OG1 3.43Å; S584-T587 PolarHBondContact O-N 2.88Å; S584-T587 PolarHBondContact O-OG1 3.15Å; S584-T587 VanDerWaalsContact OG-CG2 3.25Å; S584-T587 WeakPolarHBondContact OG-CG2 3.25Å; S584-T587 PolarHBondContact OG-OG1 3.12Å; F585-T587 PolarHBondContact O-N 3.42Å
588	I	89.3	Confident	88.7	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.031	33%	0.33	C	S	.	.	S	Bend	trans	-73.7	128.2	178.5	-60.6	166.7	0	0	0	109	F578 V583 S584 F585 W590 L592 Q593	F578-I588 HydrophobicContact CD1-CD1 3.95Å; F578-I588 HydrophobicContact CE1-CD1 4.49Å; F578-I588 HydrophobicContact CE1-CG2 4.19Å; V583-I588 HydrophobicContact CB-CG1 4.32Å; V583-I588 HydrophobicContact CG1-CD1 4.42Å; V583-I588 HydrophobicContact CG1-CG1 3.54Å; S584-I588 WeakPolarHBondContact O-CG1 3.5Å; F585-I588 WeakPolarHBondContact O-CB 3.46Å; F585-I588 PolarHBondContact O-N 3.37Å; F585-I588 VanDerWaalsContact O-N 3.15Å; I588-W590 PolarHBondContact O-N 2.81Å; I588-L592 HydrophobicContact CG2-CB 3.78Å; I588-Q593 HydrophobicContact CB-CG 4Å; I588-Q593 HydrophobicContact CG2-CG 3.91Å; I588-Q593 WeakPolarHBondContact O-CG 3.3Å; I588-Q593 PolarHBondContact O-NE2 2.96Å; I588-Q593 VanDerWaalsContact O-NE2 3.08Å
589	P	91.6	Very high	88.9	Confident	55 Å²	55	69 Å²	69	36%	0.357	32%	0.324	S	S	.	.			trans	-55.7	138.6	173.2	-24.4	33.3	0	0	0	111.9	Y591 L592 Q593	P589-Y591 HydrophobicContact CB-CD1 3.8Å; P589-Y591 HydrophobicContact CB-CE1 3.26Å; P589-Y591 HydrophobicContact CB-CE2 4.31Å; P589-Y591 HydrophobicContact CG-CE1 4.2Å; P589-Y591 PolarHBondContact O-N 2.77Å; P589-L592 PolarHBondContact O-N 3.25Å; P589-Q593 PolarHBondContact O-N 3.38Å
590	W	90.9	Very high	89.1	Confident	210 Å²	210	69.3 Å²	69.3	80%	0.795	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-32.3	-173.1	71.6	-91.9	0	0	0	114.6	I588 L592	I588-W590 PolarHBondContact O-N 2.81Å; W590-L592 VanDerWaalsContact C-N 3.32Å; W590-L592 PolarHBondContact O-N 2.75Å
591	Y	91.9	Very high	89.5	Confident	136 Å²	136	68.9 Å²	68.9	53%	0.533	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.1	179.4	61.3	-94.7	0	0	0	114.5	P589 W594	P589-Y591 HydrophobicContact CB-CD1 3.8Å; P589-Y591 HydrophobicContact CB-CE1 3.26Å; P589-Y591 HydrophobicContact CB-CE2 4.31Å; P589-Y591 HydrophobicContact CG-CE1 4.2Å; P589-Y591 PolarHBondContact O-N 2.77Å; Y591-W594 PolarHBondContact O-NE1 3.43Å
592	L	91.2	Very high	89.7	Confident	56 Å²	56	67.4 Å²	67.4	29%	0.293	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-10.4	175	-67.7	176	0	0	0	113.6	F578 I588 P589 W590 W594 M595	F578-L592 HydrophobicContact CE1-CB 4.19Å; F578-L592 HydrophobicContact CZ-CB 4.29Å; F578-L592 HydrophobicContact CZ-CD1 4.35Å; I588-L592 HydrophobicContact CG2-CB 3.78Å; P589-L592 PolarHBondContact O-N 3.25Å; W590-L592 VanDerWaalsContact C-N 3.32Å; W590-L592 PolarHBondContact O-N 2.75Å; L592-W594 PolarHBondContact O-N 3.18Å; L592-W594 VanDerWaalsContact O-N 3.12Å; L592-M595 HydrophobicContact CD2-SD 4.01Å; L592-M595 WeakPolarHBondContact O-CB 3.24Å; L592-M595 PolarHBondContact O-N 3.19Å
593	Q	88.6	Confident	90.1	Very high	54 Å²	54	63.1 Å²	63.1	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-55.4	-33.4	-177.6	-76.7	177.8	-16.1	0	0	113.1	F585 I588 P589 M595 S596	F585-Q593 HydrophobicContact CE2-CB 4.14Å; F585-Q593 HydrophobicContact CE2-CG 4.33Å; F585-Q593 HydrophobicContact CZ-CB 4.24Å; F585-Q593 HydrophobicContact CZ-CG 4.31Å; I588-Q593 HydrophobicContact CB-CG 4Å; I588-Q593 HydrophobicContact CG2-CG 3.91Å; I588-Q593 WeakPolarHBondContact O-CG 3.3Å; I588-Q593 PolarHBondContact O-NE2 2.96Å; I588-Q593 VanDerWaalsContact O-NE2 3.08Å; P589-Q593 PolarHBondContact O-N 3.38Å; Q593-M595 PolarHBondContact O-N 3.49Å; Q593-S596 WeakPolarHBondContact O-CB 3.49Å; Q593-S596 PolarHBondContact O-N 3.26Å
594	W	90.2	Very high	90.5	Very high	148 Å²	148	60.3 Å²	60.3	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-59.7	-28.7	177.2	68.4	-87.5	0	0	0	113.9	Y591 L592 S596 Y597 I598	Y591-W594 PolarHBondContact O-NE1 3.43Å; L592-W594 PolarHBondContact O-N 3.18Å; L592-W594 VanDerWaalsContact O-N 3.12Å; W594-S596 VanDerWaalsContact C-N 3.27Å; W594-S596 PolarHBondContact O-N 3.46Å; W594-Y597 PolarHBondContact O-N 3.3Å; W594-I598 HydrophobicContact CE3-CD1 3.4Å; W594-I598 HydrophobicContact CE3-CG1 4.43Å; W594-I598 HydrophobicContact CZ3-CD1 3.31Å; W594-I598 PolarHBondContact O-N 2.9Å
595	M	89.5	Confident	91	Very high	50 Å²	50	58.7 Å²	58.7	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-28.8	177.2	-65.9	-171.3	68.7	0	0	112.2	P574 F578 L592 Q593 I598 S599	P574-M595 HydrophobicContact CB-CE 3.84Å; F578-M595 HydrophobicContact CD1-CB 4.39Å; F578-M595 HydrophobicContact CD2-CB 3.72Å; F578-M595 HydrophobicContact CD2-CE 4Å; F578-M595 HydrophobicContact CD2-SD 4.31Å; F578-M595 HydrophobicContact CE2-CB 3.88Å; F578-M595 HydrophobicContact CE2-CE 3.6Å; F578-M595 HydrophobicContact CE2-CG 4.36Å; F578-M595 HydrophobicContact CE2-SD 3.6Å; F578-M595 VanDerWaalsContact CE2-SD 3.6Å; F578-M595 HydrophobicContact CG-CB 4.01Å; F578-M595 HydrophobicContact CZ-CB 4.26Å; F578-M595 HydrophobicContact CZ-SD 3.98Å; L592-M595 HydrophobicContact CD2-SD 4.01Å; L592-M595 WeakPolarHBondContact O-CB 3.24Å; L592-M595 PolarHBondContact O-N 3.19Å; Q593-M595 PolarHBondContact O-N 3.49Å; M595-I598 PolarHBondContact O-N 3.37Å; M595-S599 PolarHBondContact O-N 3.47Å
596	S	89.9	Confident	91.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-38.2	175.4	-168.6	0	0	0	0	111.7	F578 Q593 W594 I598 S599 R602	F578-S596 PolarHBondContact O-OG 3.05Å; F578-S596 VanDerWaalsContact O-OG 3.1Å; Q593-S596 WeakPolarHBondContact O-CB 3.49Å; Q593-S596 PolarHBondContact O-N 3.26Å; W594-S596 VanDerWaalsContact C-N 3.27Å; W594-S596 PolarHBondContact O-N 3.46Å; S596-I598 VanDerWaalsContact C-N 3.26Å; S596-I598 PolarHBondContact O-N 2.85Å; S596-S599 PolarHBondContact O-N 2.72Å; S596-R602 WeakPolarHBondContact OG-CD 3.33Å; S596-R602 PolarHBondContact OG-NH1 3.3Å
597	Y	90.7	Very high	91.9	Very high	123 Å²	123	52.4 Å²	52.4	48%	0.482	23%	0.233	S	C	.	.	H	α-helix	trans	-68.4	-23.3	176.1	-63.8	-63.4	0	0	0	113.8	F585 W594 Y603	F585-Y597 HydrophobicContact CE2-CE1 4.32Å; F585-Y597 AromaticContact CE2-CE2 3.92Å; F585-Y597 HydrophobicContact CE2-CE2 3.92Å; F585-Y597 AromaticContact CE2-CZ 3.74Å; F585-Y597 HydrophobicContact CZ-CE1 4.44Å; F585-Y597 AromaticContact CZ-CE2 3.9Å; F585-Y597 HydrophobicContact CZ-CE2 3.9Å; F585-Y597 AromaticContact CZ-CZ 3.57Å; F585-Y597 WeakPolarHBondContact CZ-OH 3.34Å; W594-Y597 PolarHBondContact O-N 3.3Å; Y597-Y603 WeakPolarHBondContact CA-OH 3.34Å; Y597-Y603 WeakPolarHBondContact O-CE2 3.17Å; Y597-Y603 PolarHBondContact O-OH 3.3Å
598	I	91.4	Very high	92.3	Very high	89 Å²	89	48 Å²	48	46%	0.456	21%	0.206	S	C	.	.	H	α-helix	trans	-80.4	-23.4	176	-67.6	176.9	0	0	0	111.7	W594 M595 S596 Y600 F657	W594-I598 HydrophobicContact CE3-CD1 3.4Å; W594-I598 HydrophobicContact CE3-CG1 4.43Å; W594-I598 HydrophobicContact CZ3-CD1 3.31Å; W594-I598 PolarHBondContact O-N 2.9Å; M595-I598 PolarHBondContact O-N 3.37Å; S596-I598 VanDerWaalsContact C-N 3.26Å; S596-I598 PolarHBondContact O-N 2.85Å; I598-Y600 PolarHBondContact O-N 3.49Å; I598-Y600 VanDerWaalsContact O-N 3.08Å; I598-F657 WeakPolarHBondContact O-CZ 3.42Å
599	S	94.1	Very high	92.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.205	C	C	.	.			trans	-71.4	105.4	179.5	178.8	0	0	0	0	111	V575 M595 S596 V601 R602 Y603	V575-S599 WeakPolarHBondContact CG1-OG 3.06Å; V575-S599 WeakPolarHBondContact O-CB 3.44Å; V575-S599 PolarHBondContact O-OG 2.86Å; M595-S599 PolarHBondContact O-N 3.47Å; S596-S599 PolarHBondContact O-N 2.72Å; S599-V601 PolarHBondContact O-N 3.35Å; S599-V601 PolarHBondContact OG-N 3Å; S599-R602 VanDerWaalsContact O-CB 3.25Å; S599-R602 WeakPolarHBondContact O-CB 3.3Å; S599-R602 PolarHBondContact O-N 3.12Å; S599-R602 PolarHBondContact OG-N 2.93Å; S599-Y603 VanDerWaalsContact O-CD2 3.26Å; S599-Y603 WeakPolarHBondContact O-CD2 3.46Å; S599-Y603 WeakPolarHBondContact O-CE2 3.1Å
600	Y	94.8	Very high	92.5	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-24.2	171.5	66.8	-91.1	0	0	0	112.6	M465 T543 V546 A547 L550 V575 I598 R602 Y603 G604 L654	M465-Y600 HydrophobicContact CG-CE2 4.08Å; M465-Y600 WeakPolarHBondContact CG-OH 3.42Å; T543-Y600 HydrophobicContact CG2-CD2 4.3Å; T543-Y600 HydrophobicContact CG2-CE2 4.24Å; V546-Y600 HydrophobicContact CB-CD2 3.98Å; V546-Y600 HydrophobicContact CB-CE2 4.36Å; V546-Y600 HydrophobicContact CB-CG 4.31Å; V546-Y600 HydrophobicContact CG1-CD1 3.8Å; V546-Y600 HydrophobicContact CG1-CD2 3.57Å; V546-Y600 HydrophobicContact CG1-CE1 4.28Å; V546-Y600 HydrophobicContact CG1-CE2 4.06Å; V546-Y600 HydrophobicContact CG1-CG 3.41Å; V546-Y600 VanDerWaalsContact CG1-CG 3.41Å; A547-Y600 WeakPolarHBondContact CA-OH 3.26Å; A547-Y600 HydrophobicContact CB-CE2 4Å; A547-Y600 WeakPolarHBondContact CB-OH 3.4Å; L550-Y600 HydrophobicContact CD2-CE1 4.06Å; V575-Y600 HydrophobicContact CG1-CD1 4.11Å; V575-Y600 HydrophobicContact CG1-CE1 3.88Å; I598-Y600 PolarHBondContact O-N 3.49Å; I598-Y600 VanDerWaalsContact O-N 3.08Å; Y600-R602 VanDerWaalsContact C-N 3.27Å; Y600-R602 PolarHBondContact O-N 3.39Å; Y600-Y603 PolarHBondContact O-N 3.42Å; Y600-G604 PolarHBondContact O-N 3.47Å; Y600-L654 WeakPolarHBondContact O-CD2 3.34Å
601	V	94.4	Very high	92.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-29.6	175.9	177.6	0	0	0	0	111	M465 V575 L576 S599 G604 F605	M465-V601 HydrophobicContact CG-CG2 4.15Å; M465-V601 HydrophobicContact SD-CG2 3.51Å; M465-V601 VanDerWaalsContact SD-CG2 3.51Å; V575-V601 HydrophobicContact CG1-CB 4.02Å; V575-V601 HydrophobicContact CG1-CG2 3.6Å; L576-V601 HydrophobicContact CD2-CG1 4.18Å; L576-V601 HydrophobicContact CD2-CG2 4.32Å; S599-V601 PolarHBondContact O-N 3.35Å; S599-V601 PolarHBondContact OG-N 3Å; V601-G604 PolarHBondContact O-N 3.21Å; V601-F605 WeakPolarHBondContact O-CB 3.26Å; V601-F605 PolarHBondContact O-N 2.98Å
602	R	93.7	Very high	92.7	Very high	28 Å²	28	29.3 Å²	29.3	11%	0.106	13%	0.128	C	C	.	.	H	α-helix	trans	-54.6	-58	172.1	-176	-155.2	158.4	111.3	3.9	111	S579 S596 S599 Y600 G604 F605 E606	S579-R602 WeakPolarHBondContact O-CA 3.4Å; S596-R602 WeakPolarHBondContact OG-CD 3.33Å; S596-R602 PolarHBondContact OG-NH1 3.3Å; S599-R602 VanDerWaalsContact O-CB 3.25Å; S599-R602 WeakPolarHBondContact O-CB 3.3Å; S599-R602 PolarHBondContact O-N 3.12Å; S599-R602 PolarHBondContact OG-N 2.93Å; Y600-R602 VanDerWaalsContact C-N 3.27Å; Y600-R602 PolarHBondContact O-N 3.39Å; R602-G604 VanDerWaalsContact C-N 3.27Å; R602-G604 PolarHBondContact O-N 2.9Å; R602-F605 PolarHBondContact O-N 3.02Å; R602-F605 VanDerWaalsContact O-N 3.11Å; R602-E606 IonicContact CZ-OE2 3.97Å; R602-E606 IonicContact NE-OE2 3.82Å; R602-E606 PolarHBondContact NE-OE2 3.01Å; R602-E606 IonicContact NH2-OE2 2.59Å; R602-E606 PolarHBondContact NH2-OE2 3.18Å; R602-E606 VanDerWaalsContact O-CB 3.26Å; R602-E606 WeakPolarHBondContact O-CB 3.44Å; R602-E606 PolarHBondContact O-N 3.1Å
603	Y	94.3	Very high	92.6	Very high	28 Å²	28	26.7 Å²	26.7	11%	0.11	12%	0.115	C	C	.	.	H	α-helix	trans	-64	-32.7	-179	-53.4	-80.5	0	0	0	112.4	Y597 S599 Y600 G607 D650 V653 F657	Y597-Y603 WeakPolarHBondContact CA-OH 3.34Å; Y597-Y603 WeakPolarHBondContact O-CE2 3.17Å; Y597-Y603 PolarHBondContact O-OH 3.3Å; S599-Y603 VanDerWaalsContact O-CD2 3.26Å; S599-Y603 WeakPolarHBondContact O-CD2 3.46Å; S599-Y603 WeakPolarHBondContact O-CE2 3.1Å; Y600-Y603 PolarHBondContact O-N 3.42Å; Y603-G607 PolarHBondContact O-N 3.05Å; Y603-D650 WeakPolarHBondContact CD1-OD1 3.46Å; Y603-V653 HydrophobicContact CD1-CB 4.18Å; Y603-V653 HydrophobicContact CD1-CG1 3.98Å; Y603-V653 HydrophobicContact CD1-CG2 4.5Å; Y603-V653 HydrophobicContact CD2-CG1 3.69Å; Y603-V653 HydrophobicContact CE1-CB 4.28Å; Y603-V653 HydrophobicContact CE1-CG1 3.83Å; Y603-V653 HydrophobicContact CE1-CG2 4.27Å; Y603-V653 HydrophobicContact CE2-CG1 3.55Å; Y603-V653 HydrophobicContact CG-CB 4.32Å; Y603-V653 HydrophobicContact CG-CG1 3.89Å; Y603-F657 HydrophobicContact CD2-CE2 4.25Å; Y603-F657 AromaticContact CE2-CE2 3.86Å; Y603-F657 HydrophobicContact CE2-CE2 3.86Å
604	G	94.8	Very high	92.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-41	172.5	0	0	0	0	0	113.2	Y600 V601 R602 A608	Y600-G604 PolarHBondContact O-N 3.47Å; V601-G604 PolarHBondContact O-N 3.21Å; R602-G604 VanDerWaalsContact C-N 3.27Å; R602-G604 PolarHBondContact O-N 2.9Å; G604-A608 WeakPolarHBondContact O-CB 3.33Å; G604-A608 PolarHBondContact O-N 3.47Å; G604-A608 VanDerWaalsContact O-N 3.14Å
605	F	94.6	Very high	92.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-76.1	-47.1	178.6	174.7	-114.2	0	0	0	112.7	L457 F458 F581 V601 R602 G607 A608 I609 M642	L457-F605 HydrophobicContact CB-CE2 4.25Å; F458-F605 HydrophobicContact CB-CD2 3.84Å; F458-F605 HydrophobicContact CB-CE2 3.65Å; F458-F605 HydrophobicContact CB-CZ 4.35Å; F458-F605 HydrophobicContact CD2-CD2 4.32Å; F458-F605 HydrophobicContact CD2-CG 4.4Å; F581-F605 HydrophobicContact CB-CD1 4.33Å; F581-F605 HydrophobicContact CB-CE1 3.89Å; F581-F605 HydrophobicContact CB-CZ 4.15Å; F581-F605 HydrophobicContact CD2-CE1 4.29Å; F581-F605 HydrophobicContact CD2-CE2 4.31Å; F581-F605 AromaticContact CD2-CZ 3.74Å; F581-F605 HydrophobicContact CD2-CZ 3.74Å; F581-F605 HydrophobicContact CG-CZ 4.41Å; V601-F605 WeakPolarHBondContact O-CB 3.26Å; V601-F605 PolarHBondContact O-N 2.98Å; R602-F605 PolarHBondContact O-N 3.02Å; R602-F605 VanDerWaalsContact O-N 3.11Å; F605-G607 PolarHBondContact O-N 2.78Å; F605-A608 WeakPolarHBondContact O-CB 3.3Å; F605-A608 PolarHBondContact O-N 3.26Å; F605-I609 HydrophobicContact CD2-CG1 4.18Å; F605-I609 HydrophobicContact CE1-CG1 4.21Å; F605-I609 HydrophobicContact CE2-CD1 3.9Å; F605-I609 HydrophobicContact CE2-CG1 3.65Å; F605-I609 HydrophobicContact CZ-CD1 3.93Å; F605-I609 HydrophobicContact CZ-CG1 3.67Å; F605-I609 WeakPolarHBondContact O-CG1 3.3Å; F605-I609 PolarHBondContact O-N 3.38Å; F605-M642 HydrophobicContact CD1-CE 3.98Å; F605-M642 HydrophobicContact CE1-CE 3.84Å
606	E	93.7	Very high	91.9	Very high	16 Å²	16	27.2 Å²	27.2	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-54.4	-51.4	174.4	-173.1	175.1	137.1	0	0	110.1	R602 A608 I609 L610 M642 A645	R602-E606 IonicContact CZ-OE2 3.97Å; R602-E606 IonicContact NE-OE2 3.82Å; R602-E606 PolarHBondContact NE-OE2 3.01Å; R602-E606 IonicContact NH2-OE2 2.59Å; R602-E606 PolarHBondContact NH2-OE2 3.18Å; R602-E606 VanDerWaalsContact O-CB 3.26Å; R602-E606 WeakPolarHBondContact O-CB 3.44Å; R602-E606 PolarHBondContact O-N 3.1Å; E606-A608 VanDerWaalsContact C-N 3.31Å; E606-A608 PolarHBondContact O-N 3.39Å; E606-I609 PolarHBondContact O-N 3.21Å; E606-L610 HydrophobicContact CG-CD1 4.33Å; E606-L610 WeakPolarHBondContact O-CB 3.49Å; E606-L610 WeakPolarHBondContact O-CG 3.38Å; E606-L610 PolarHBondContact O-N 3.33Å; E606-M642 HydrophobicContact CB-CE 4.13Å; E606-M642 HydrophobicContact CB-SD 4.31Å; E606-M642 HydrophobicContact CG-CE 4.26Å; E606-M642 HydrophobicContact CG-CG 4.16Å; E606-M642 HydrophobicContact CG-SD 4.03Å; E606-A645 HydrophobicContact CG-CB 4.08Å; E606-A645 WeakPolarHBondContact OE1-CB 3.17Å
607	G	94.1	Very high	91.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-37.6	174.8	0	0	0	0	0	113.2	L539 Y603 F605 L610 S611 L647 D650	L539-G607 VanDerWaalsContact CD1-O 3.24Å; L539-G607 WeakPolarHBondContact CD1-O 3.3Å; Y603-G607 PolarHBondContact O-N 3.05Å; F605-G607 PolarHBondContact O-N 2.78Å; G607-L610 PolarHBondContact O-N 3.11Å; G607-S611 VanDerWaalsContact O-CB 3.3Å; G607-S611 WeakPolarHBondContact O-CB 3.38Å; G607-S611 PolarHBondContact O-N 3.23Å; G607-S611 PolarHBondContact O-OG 3.33Å; G607-L647 WeakPolarHBondContact O-CD1 3.44Å; G607-D650 WeakPolarHBondContact CA-OD2 3.22Å; G607-D650 PolarHBondContact N-OD2 3.5Å
608	A	94.1	Very high	91.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-44.6	178.7	0	0	0	0	0	111.1	M461 F536 G604 F605 E606 S611 I612	M461-A608 HydrophobicContact CE-CB 3.77Å; F536-A608 HydrophobicContact CD2-CB 4.24Å; F536-A608 HydrophobicContact CE2-CB 4.46Å; G604-A608 WeakPolarHBondContact O-CB 3.33Å; G604-A608 PolarHBondContact O-N 3.47Å; G604-A608 VanDerWaalsContact O-N 3.14Å; F605-A608 WeakPolarHBondContact O-CB 3.3Å; F605-A608 PolarHBondContact O-N 3.26Å; E606-A608 VanDerWaalsContact C-N 3.31Å; E606-A608 PolarHBondContact O-N 3.39Å; A608-S611 PolarHBondContact O-N 2.89Å; A608-S611 PolarHBondContact O-OG 3.23Å; A608-I612 WeakPolarHBondContact O-CG1 3.41Å; A608-I612 PolarHBondContact O-N 2.9Å; A608-I612 VanDerWaalsContact O-N 3.14Å
609	I	93.8	Very high	91	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-47.9	175.6	-69.8	-74.9	0	0	0	110.4	L457 F605 E606 S611 I612 Y613 L637 L640 M642	L457-I609 HydrophobicContact CD1-CD1 3.61Å; L457-I609 HydrophobicContact CD1-CG1 4.3Å; F605-I609 HydrophobicContact CD2-CG1 4.18Å; F605-I609 HydrophobicContact CE1-CG1 4.21Å; F605-I609 HydrophobicContact CE2-CD1 3.9Å; F605-I609 HydrophobicContact CE2-CG1 3.65Å; F605-I609 HydrophobicContact CZ-CD1 3.93Å; F605-I609 HydrophobicContact CZ-CG1 3.67Å; F605-I609 WeakPolarHBondContact O-CG1 3.3Å; F605-I609 PolarHBondContact O-N 3.38Å; E606-I609 PolarHBondContact O-N 3.21Å; I609-S611 VanDerWaalsContact C-N 3.3Å; I609-S611 PolarHBondContact O-N 2.96Å; I609-I612 PolarHBondContact O-N 3.42Å; I609-I612 VanDerWaalsContact O-N 3.16Å; I609-Y613 HydrophobicContact CD1-CD2 4.39Å; I609-Y613 HydrophobicContact CD1-CE2 4.47Å; I609-Y613 HydrophobicContact CG2-CD2 4.35Å; I609-Y613 WeakPolarHBondContact O-CB 3.41Å; I609-Y613 PolarHBondContact O-N 3.16Å; I609-L637 HydrophobicContact CG2-CD2 3.63Å; I609-L640 HydrophobicContact CD1-CD1 4.05Å; I609-L640 HydrophobicContact CG1-CD1 4.35Å; I609-L640 HydrophobicContact CG2-CD1 4.17Å; I609-M642 HydrophobicContact CB-SD 4.07Å; I609-M642 HydrophobicContact CG1-SD 4.45Å; I609-M642 HydrophobicContact CG2-SD 3.88Å
610	L	92.8	Very high	90.7	Very high	15 Å²	15	27.9 Å²	27.9	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-36.2	176.9	-69.9	174.3	0	0	0	112.5	E606 G607 I612 G614 L637 A645 L647	E606-L610 HydrophobicContact CG-CD1 4.33Å; E606-L610 WeakPolarHBondContact O-CB 3.49Å; E606-L610 WeakPolarHBondContact O-CG 3.38Å; E606-L610 PolarHBondContact O-N 3.33Å; G607-L610 PolarHBondContact O-N 3.11Å; L610-I612 VanDerWaalsContact C-N 3.31Å; L610-I612 PolarHBondContact O-N 3.27Å; L610-G614 WeakPolarHBondContact O-CA 3.39Å; L610-G614 PolarHBondContact O-N 2.81Å; L610-L637 HydrophobicContact CD2-CD2 4.03Å; L610-A645 HydrophobicContact CD1-CB 3.76Å; L610-A645 HydrophobicContact CD2-CB 4.42Å; L610-L647 HydrophobicContact CB-CD1 4.14Å; L610-L647 HydrophobicContact CD1-CB 4.46Å
611	S	92.8	Very high	90.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-32.2	176.7	76.2	0	0	0	0	112.8	R532 G607 A608 I609 M615	R532-S611 VanDerWaalsContact CG-O 3.26Å; R532-S611 WeakPolarHBondContact CG-O 3.14Å; G607-S611 VanDerWaalsContact O-CB 3.3Å; G607-S611 WeakPolarHBondContact O-CB 3.38Å; G607-S611 PolarHBondContact O-N 3.23Å; G607-S611 PolarHBondContact O-OG 3.33Å; A608-S611 PolarHBondContact O-N 2.89Å; A608-S611 PolarHBondContact O-OG 3.23Å; I609-S611 VanDerWaalsContact C-N 3.3Å; I609-S611 PolarHBondContact O-N 2.96Å; S611-M615 WeakPolarHBondContact O-CE 3.09Å
612	I	92.4	Very high	89.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-93.3	-38.8	-176.4	-64.9	-59.3	0	0	0	112.5	L457 Y521 Q526 R532 A608 I609 L610 R617	L457-I612 HydrophobicContact CD1-CB 4.21Å; L457-I612 HydrophobicContact CD1-CG1 4.06Å; L457-I612 HydrophobicContact CD1-CG2 4.48Å; L457-I612 HydrophobicContact CD2-CG1 4.03Å; Y521-I612 HydrophobicContact CE2-CD1 3.8Å; Q526-I612 HydrophobicContact CB-CD1 4.3Å; Q526-I612 HydrophobicContact CG-CD1 4.31Å; R532-I612 PolarHBondContact NH1-O 2.91Å; A608-I612 WeakPolarHBondContact O-CG1 3.41Å; A608-I612 PolarHBondContact O-N 2.9Å; A608-I612 VanDerWaalsContact O-N 3.14Å; I609-I612 PolarHBondContact O-N 3.42Å; I609-I612 VanDerWaalsContact O-N 3.16Å; L610-I612 VanDerWaalsContact C-N 3.31Å; L610-I612 PolarHBondContact O-N 3.27Å; I612-R617 WeakPolarHBondContact O-CD 3.42Å; I612-R617 PolarHBondContact O-NH1 3.45Å; I612-R617 VanDerWaalsContact O-NH1 3.1Å
613	Y	90.8	Very high	89.2	Confident	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-107.5	-21.9	-174.4	-71	-73.1	0	0	0	114	V450 N453 L457 I609 L620 S633 I636	V450-Y613 HydrophobicContact CG1-CE1 4.15Å; V450-Y613 HydrophobicContact CG2-CE1 4.42Å; N453-Y613 WeakPolarHBondContact CB-OH 3.29Å; N453-Y613 PolarHBondContact ND2-OH 2.92Å; L457-Y613 HydrophobicContact CD1-CE2 4.44Å; I609-Y613 HydrophobicContact CD1-CD2 4.39Å; I609-Y613 HydrophobicContact CD1-CE2 4.47Å; I609-Y613 HydrophobicContact CG2-CD2 4.35Å; I609-Y613 WeakPolarHBondContact O-CB 3.41Å; I609-Y613 PolarHBondContact O-N 3.16Å; Y613-L620 HydrophobicContact CD1-CD1 4.41Å; Y613-L620 HydrophobicContact CE1-CD1 4.03Å; Y613-L620 HydrophobicContact CE1-CD2 4.26Å; Y613-S633 WeakPolarHBondContact O-CB 3.18Å; Y613-S633 PolarHBondContact O-OG 2.89Å; Y613-I636 HydrophobicContact CD1-CG2 3.87Å; Y613-I636 HydrophobicContact CD2-CG2 4.38Å; Y613-I636 HydrophobicContact CE1-CG2 4.3Å; Y613-I636 HydrophobicContact CG-CG2 3.91Å
614	G	86.5	Confident	87.8	Confident	12 Å²	12	45.4 Å²	45.4	12%	0.124	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-164.7	174.8	0	0	0	0	0	113.7	R532 L610	R532-G614 PolarHBondContact NH1-O 3.16Å; R532-G614 PolarHBondContact NH2-O 3.26Å; L610-G614 WeakPolarHBondContact O-CA 3.39Å; L610-G614 PolarHBondContact O-N 2.81Å
615	M	83.8	Confident	86.3	Confident	95 Å²	95	52.8 Å²	52.8	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	53.2	178.4	-56	179.6	-69.8	0	0	113	R532 L535 S611 R617	R532-M615 HydrophobicContact CG-CE 3.59Å; R532-M615 PolarHBondContact NH2-O 2.92Å; L535-M615 HydrophobicContact CD1-CE 3.59Å; L535-M615 HydrophobicContact CD1-SD 3.82Å; S611-M615 WeakPolarHBondContact O-CE 3.09Å; M615-R617 VanDerWaalsContact C-N 3.34Å; M615-R617 PolarHBondContact O-N 2.64Å
616	D	81.8	Confident	84.8	Confident	157 Å²	157	57.1 Å²	57.1	84%	0.84	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	52.6	176.2	-56.7	-33.8	0	0	0	113.3
617	R	84.4	Confident	83.8	Confident	15 Å²	15	61.7 Å²	61.7	6%	0.057	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61	135.4	177.6	-168.3	-174.1	177.9	162.3	-8.9	110.1	G444 N445 I612 M615	G444-R617 PolarHBondContact O-NH2 2.97Å; N445-R617 PolarHBondContact OD1-NH2 3.45Å; I612-R617 WeakPolarHBondContact O-CD 3.42Å; I612-R617 PolarHBondContact O-NH1 3.45Å; I612-R617 VanDerWaalsContact O-NH1 3.1Å; M615-R617 VanDerWaalsContact C-N 3.34Å; M615-R617 PolarHBondContact O-N 2.64Å
618	P	84.7	Confident	83.1	Confident	103 Å²	103	62.7 Å²	62.7	67%	0.669	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-60.8	155.4	170.4	25.9	-34.3	0	0	0	111.4	L620	P618-L620 PolarHBondContact O-N 3.13Å
619	D	85.6	Confident	82.5	Confident	103 Å²	103	69.1 Å²	69.1	55%	0.551	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-54	138.6	-177.6	-70.1	-20.4	0	0	0	112	Q631	D619-Q631 HydrophobicContact CB-CG 4.29Å
620	L	87.9	Confident	82	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-70.6	149.6	178.6	-73	139.2	0	0	0	110.4	A447 V450 Y613 P618 C622 F630 Q631	A447-L620 HydrophobicContact CB-CB 3.73Å; V450-L620 HydrophobicContact CG2-CD1 3.99Å; Y613-L620 HydrophobicContact CD1-CD1 4.41Å; Y613-L620 HydrophobicContact CE1-CD1 4.03Å; Y613-L620 HydrophobicContact CE1-CD2 4.26Å; P618-L620 PolarHBondContact O-N 3.13Å; L620-C622 PolarHBondContact O-N 3.1Å; L620-F630 WeakPolarHBondContact CD1-O 3.38Å; L620-Q631 PolarHBondContact N-O 2.99Å
621	H	86.1	Confident	81.5	Confident	127 Å²	127	74.1 Å²	74.1	59%	0.588	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-66.5	126.5	179.5	-173.7	68.9	0	0	0	110.2	N445 A447 D623	N445-H621 WeakPolarHBondContact O-CB 3.48Å; N445-H621 PolarHBondContact O-N 3.28Å; A447-H621 WeakPolarHBondContact CB-O 3.49Å; A447-H621 PolarHBondContact N-O 2.79Å; H621-D623 IonicContact NE2-OD1 3.85Å
622	C	84.3	Confident	81.2	Confident	27 Å²	27	80.3 Å²	80.3	18%	0.182	43%	0.428	C	S	.	.			trans	-133.6	128.2	176.4	-179.5	0	0	0	0	108.6	A447 L620 N626 C628	A447-C622 HydrophobicContact CB-CB 4.2Å; L620-C622 PolarHBondContact O-N 3.1Å; C622-N626 PolarHBondContact SG-O 3.14Å; C622-N626 VanDerWaalsContact SG-O 3.37Å; C622-C628 HydrophobicContact CB-CB 3.75Å; C622-C628 WeakPolarHBondContact CB-SG 3.36Å; C622-C628 WeakPolarHBondContact SG-CB 3.41Å; C622-C628 CovalentContact SG-SG 2.03Å; C622-C628 PolarHBondContact SG-SG 2.99Å
623	D	79.9	Confident	80.9	Confident	79 Å²	79	81 Å²	81	42%	0.422	43%	0.432	S	S	.	.			trans	-66	137.8	174.1	-49.2	-53.1	0	0	0	110.3	K448 H621 D625 N626	K448-D623 IonicContact NZ-OD2 2.76Å; K448-D623 PolarHBondContact NZ-OD2 3.47Å; H621-D623 IonicContact NE2-OD1 3.85Å; D623-D625 PolarHBondContact O-N 3.35Å; D623-N626 PolarHBondContact O-N 3.42Å
624	E	64.9	Low	80.7	Confident	197 Å²	197	86.7 Å²	86.7	92%	0.921	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.1	-172.2	-64.4	-176	161.6	0	0	114.4
625	D	62.7	Low	80.6	Confident	155 Å²	155	87.3 Å²	87.3	83%	0.829	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	1.5	-175.4	-66.1	-40.1	0	0	0	115.2	D623	D623-D625 PolarHBondContact O-N 3.35Å
626	N	64.3	Low	80.8	Confident	92 Å²	92	82.8 Å²	82.8	49%	0.492	44%	0.441	S	S	.	.	S	Bend	trans	-136.6	139.9	-177.9	-65.2	-82.1	0	0	0	113.4	K448 C622 D623 C628	K448-N626 PolarHBondContact NZ-ND2 3.05Å; K448-N626 VanDerWaalsContact NZ-ND2 3.11Å; C622-N626 PolarHBondContact SG-O 3.14Å; C622-N626 VanDerWaalsContact SG-O 3.37Å; D623-N626 PolarHBondContact O-N 3.42Å; N626-C628 PolarHBondContact O-N 3.27Å
627	A	72.8	Confident	81	Confident	112 Å²	112	76 Å²	76	93%	0.926	40%	0.404	S	S	*	.			trans	-70.7	108.9	172.1	0	0	0	0	0	111.1
628	C	78.5	Confident	81.1	Confident	20 Å²	20	82.5 Å²	82.5	14%	0.135	43%	0.433	C	S	.	.			trans	-94.5	107.3	175.6	-64.3	0	0	0	0	111.8	A447 C622 N626 F630 Q631	A447-C628 HydrophobicContact CB-CB 3.97Å; C622-C628 HydrophobicContact CB-CB 3.75Å; C622-C628 WeakPolarHBondContact CB-SG 3.36Å; C622-C628 WeakPolarHBondContact SG-CB 3.41Å; C622-C628 CovalentContact SG-SG 2.03Å; C622-C628 PolarHBondContact SG-SG 2.99Å; N626-C628 PolarHBondContact O-N 3.27Å; C628-F630 VanDerWaalsContact C-N 3.27Å; C628-F630 PolarHBondContact O-N 3.42Å; C628-Q631 HydrophobicContact CB-CB 4.28Å; C628-Q631 PolarHBondContact O-N 2.81Å
629	H	81.1	Confident	81.1	Confident	136 Å²	136	83.4 Å²	83.4	63%	0.63	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.5	176.5	-175.3	-98.1	0	0	0	113.3
630	F	83.2	Confident	81.1	Confident	32 Å²	32	79.6 Å²	79.6	14%	0.14	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	29.1	-176.2	-57.7	-69.7	0	0	0	113.7	V450 L451 L620 C628 K632 A635 I636 E639	V450-F630 HydrophobicContact CB-CB 4.05Å; V450-F630 HydrophobicContact CB-CD2 4.46Å; V450-F630 HydrophobicContact CB-CG 4.32Å; V450-F630 HydrophobicContact CG1-CB 4.28Å; V450-F630 HydrophobicContact CG1-CG 4.38Å; V450-F630 HydrophobicContact CG2-CB 3.88Å; L451-F630 HydrophobicContact CD1-CE2 4.5Å; L451-F630 HydrophobicContact CG-CE2 4.36Å; L620-F630 WeakPolarHBondContact CD1-O 3.38Å; C628-F630 VanDerWaalsContact C-N 3.27Å; C628-F630 PolarHBondContact O-N 3.42Å; F630-K632 VanDerWaalsContact C-N 3.3Å; F630-K632 PolarHBondContact O-N 3.03Å; F630-A635 HydrophobicContact CD1-CB 4.02Å; F630-I636 HydrophobicContact CD1-CB 4.05Å; F630-I636 HydrophobicContact CE1-CB 4.43Å; F630-I636 HydrophobicContact CE1-CD1 4.26Å; F630-E639 HydrophobicContact CE1-CB 4.32Å
631	Q	84.1	Confident	80.8	Confident	87 Å²	87	82.2 Å²	82.2	41%	0.407	42%	0.422	S	S	.	.	S	Bend	trans	-61.8	-40.7	175.4	-173.8	175.1	6.5	0	0	111.5	D619 L620 C628	D619-Q631 HydrophobicContact CB-CG 4.29Å; L620-Q631 PolarHBondContact N-O 2.99Å; C628-Q631 HydrophobicContact CB-CB 4.28Å; C628-Q631 PolarHBondContact O-N 2.81Å
632	K	86	Confident	80.8	Confident	131 Å²	131	76.5 Å²	76.5	57%	0.57	40%	0.395	S	S	*	.	S	Bend	trans	-87.2	132.4	171.1	-68.8	-174.2	173.9	-172.5	0	110.6	F630 E634 A635	F630-K632 VanDerWaalsContact C-N 3.3Å; F630-K632 PolarHBondContact O-N 3.03Å; K632-E634 VanDerWaalsContact C-N 3.25Å; K632-E634 PolarHBondContact O-N 3.45Å; K632-A635 WeakPolarHBondContact O-CB 3.26Å; K632-A635 PolarHBondContact O-N 3.12Å; K632-A635 VanDerWaalsContact O-N 3.16Å
633	S	86.1	Confident	80.4	Confident	13 Å²	13	79.3 Å²	79.3	9%	0.091	41%	0.408	C	S	.	.	H	α-helix	trans	-63.7	-27.2	178.9	53.8	0	0	0	0	113.8	Y613 A635 I636 L637	Y613-S633 WeakPolarHBondContact O-CB 3.18Å; Y613-S633 PolarHBondContact O-OG 2.89Å; S633-A635 PolarHBondContact O-N 3.49Å; S633-I636 WeakPolarHBondContact O-CG2 3.36Å; S633-I636 PolarHBondContact O-N 2.91Å; S633-L637 PolarHBondContact O-N 3.41Å
634	E	86	Confident	80.4	Confident	122 Å²	122	82.9 Å²	82.9	57%	0.57	43%	0.427	S	S	*	.	H	α-helix	trans	-60.7	-30.4	175.2	-65.3	176	179.3	0	0	112.7	K632 I636 L637 K638 L643	K632-E634 VanDerWaalsContact C-N 3.25Å; K632-E634 PolarHBondContact O-N 3.45Å; E634-I636 VanDerWaalsContact C-N 3.35Å; E634-I636 PolarHBondContact O-N 3.35Å; E634-L637 PolarHBondContact O-N 3.32Å; E634-K638 WeakPolarHBondContact O-CB 3.33Å; E634-K638 PolarHBondContact O-N 2.83Å; E634-L643 HydrophobicContact CB-CD2 4.45Å
635	A	85.6	Confident	81.2	Confident	25 Å²	25	74.8 Å²	74.8	21%	0.207	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-37.5	-178.7	0	0	0	0	0	112.1	F630 K632 S633 E639	F630-A635 HydrophobicContact CD1-CB 4.02Å; K632-A635 WeakPolarHBondContact O-CB 3.26Å; K632-A635 PolarHBondContact O-N 3.12Å; K632-A635 VanDerWaalsContact O-N 3.16Å; S633-A635 PolarHBondContact O-N 3.49Å; A635-E639 PolarHBondContact O-N 3.41Å; A635-E639 VanDerWaalsContact O-N 3.13Å
636	I	86.3	Confident	82.5	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-75.2	-35.3	176.4	-177.2	62.5	0	0	0	111.9	V450 L451 Y613 F630 S633 E634 K638 E639 L640	V450-I636 HydrophobicContact CG1-CB 3.71Å; V450-I636 HydrophobicContact CG1-CD1 3.83Å; V450-I636 HydrophobicContact CG1-CG1 3.55Å; V450-I636 HydrophobicContact CG1-CG2 4.02Å; L451-I636 HydrophobicContact CD2-CD1 4.08Å; Y613-I636 HydrophobicContact CD1-CG2 3.87Å; Y613-I636 HydrophobicContact CD2-CG2 4.38Å; Y613-I636 HydrophobicContact CE1-CG2 4.3Å; Y613-I636 HydrophobicContact CG-CG2 3.91Å; F630-I636 HydrophobicContact CD1-CB 4.05Å; F630-I636 HydrophobicContact CE1-CB 4.43Å; F630-I636 HydrophobicContact CE1-CD1 4.26Å; S633-I636 WeakPolarHBondContact O-CG2 3.36Å; S633-I636 PolarHBondContact O-N 2.91Å; E634-I636 VanDerWaalsContact C-N 3.35Å; E634-I636 PolarHBondContact O-N 3.35Å; I636-K638 VanDerWaalsContact C-N 3.26Å; I636-K638 PolarHBondContact O-N 3.44Å; I636-E639 HydrophobicContact CD1-CB 4.48Å; I636-E639 PolarHBondContact O-N 3.19Å; I636-L640 HydrophobicContact CD1-CD1 3.98Å; I636-L640 HydrophobicContact CD1-CG 4.03Å; I636-L640 HydrophobicContact CG1-CD1 3.97Å; I636-L640 HydrophobicContact CG1-CG 4.39Å; I636-L640 WeakPolarHBondContact O-CG 3.41Å; I636-L640 PolarHBondContact O-N 3.28Å
637	L	87	Confident	83.7	Confident	14 Å²	14	69.9 Å²	69.9	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-64.4	-34.4	174.5	-63.6	179.1	0	0	0	111.4	I609 L610 S633 E634 D641 M642 L643	I609-L637 HydrophobicContact CG2-CD2 3.63Å; L610-L637 HydrophobicContact CD2-CD2 4.03Å; S633-L637 PolarHBondContact O-N 3.41Å; E634-L637 PolarHBondContact O-N 3.32Å; L637-D641 PolarHBondContact O-N 3.3Å; L637-M642 HydrophobicContact CD2-CB 4.42Å; L637-M642 PolarHBondContact O-N 2.84Å; L637-L643 HydrophobicContact CB-CD2 3.84Å; L637-L643 HydrophobicContact CB-CG 4.24Å; L637-L643 PolarHBondContact O-N 2.94Å
638	K	86.4	Confident	84.6	Confident	152 Å²	152	70.9 Å²	70.9	66%	0.661	34%	0.343	S	S	*	.	H	α-helix	trans	-67.9	-44.7	173.6	-167	171.4	-178.8	-179.5	0	112.3	E634 I636 L640 D641 L643	E634-K638 WeakPolarHBondContact O-CB 3.33Å; E634-K638 PolarHBondContact O-N 2.83Å; I636-K638 VanDerWaalsContact C-N 3.26Å; I636-K638 PolarHBondContact O-N 3.44Å; K638-L640 VanDerWaalsContact C-N 3.3Å; K638-L640 PolarHBondContact O-N 3.24Å; K638-D641 PolarHBondContact O-N 3.03Å; K638-L643 HydrophobicContact CB-CD1 3.58Å; K638-L643 HydrophobicContact CB-CG 4.04Å; K638-L643 HydrophobicContact CD-CD1 4.11Å; K638-L643 HydrophobicContact CG-CD1 3.61Å
639	E	85.5	Confident	85.3	Confident	122 Å²	122	73.8 Å²	73.8	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-63.8	-36.8	-179.6	-169.6	65.9	-162	0	0	112.2	F630 A635 I636 D641	F630-E639 HydrophobicContact CE1-CB 4.32Å; A635-E639 PolarHBondContact O-N 3.41Å; A635-E639 VanDerWaalsContact O-N 3.13Å; I636-E639 HydrophobicContact CD1-CB 4.48Å; I636-E639 PolarHBondContact O-N 3.19Å; E639-D641 VanDerWaalsContact C-N 3.32Å
640	L	83.9	Confident	85.9	Confident	23 Å²	23	67.3 Å²	67.3	12%	0.12	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.5	179.1	-65.7	176.3	0	0	0	114	I609 I636 K638 M642	I609-L640 HydrophobicContact CD1-CD1 4.05Å; I609-L640 HydrophobicContact CG1-CD1 4.35Å; I609-L640 HydrophobicContact CG2-CD1 4.17Å; I636-L640 HydrophobicContact CD1-CD1 3.98Å; I636-L640 HydrophobicContact CD1-CG 4.03Å; I636-L640 HydrophobicContact CG1-CD1 3.97Å; I636-L640 HydrophobicContact CG1-CG 4.39Å; I636-L640 WeakPolarHBondContact O-CG 3.41Å; I636-L640 PolarHBondContact O-N 3.28Å; K638-L640 VanDerWaalsContact C-N 3.3Å; K638-L640 PolarHBondContact O-N 3.24Å; L640-M642 HydrophobicContact CB-CE 4.26Å; L640-M642 HydrophobicContact CB-CG 4.14Å; L640-M642 HydrophobicContact CB-SD 4.05Å; L640-M642 WeakPolarHBondContact O-CG 3.27Å
641	D	82.8	Confident	86.5	Confident	61 Å²	61	68.1 Å²	68.1	33%	0.326	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	46.7	-178.1	-170.4	28.2	0	0	0	112.9	D586 L637 K638 E639	D586-D641 VanDerWaalsContact CG-OD2 3.28Å; D586-D641 PolarHBondContact N-OD2 3.42Å; L637-D641 PolarHBondContact O-N 3.3Å; K638-D641 PolarHBondContact O-N 3.03Å; E639-D641 VanDerWaalsContact C-N 3.32Å
642	M	85.1	Confident	87.1	Confident	6 Å²	6	68.1 Å²	68.1	3%	0.03	33%	0.332	C	S	.	.			trans	-128.6	14	-174.7	-63.4	-179.8	-178.1	0	0	113.6	F605 E606 I609 L637 L640 A645	F605-M642 HydrophobicContact CD1-CE 3.98Å; F605-M642 HydrophobicContact CE1-CE 3.84Å; E606-M642 HydrophobicContact CB-CE 4.13Å; E606-M642 HydrophobicContact CB-SD 4.31Å; E606-M642 HydrophobicContact CG-CE 4.26Å; E606-M642 HydrophobicContact CG-CG 4.16Å; E606-M642 HydrophobicContact CG-SD 4.03Å; I609-M642 HydrophobicContact CB-SD 4.07Å; I609-M642 HydrophobicContact CG1-SD 4.45Å; I609-M642 HydrophobicContact CG2-SD 3.88Å; L637-M642 HydrophobicContact CD2-CB 4.42Å; L637-M642 PolarHBondContact O-N 2.84Å; L640-M642 HydrophobicContact CB-CE 4.26Å; L640-M642 HydrophobicContact CB-CG 4.14Å; L640-M642 HydrophobicContact CB-SD 4.05Å; L640-M642 WeakPolarHBondContact O-CG 3.27Å; M642-A645 HydrophobicContact CB-CB 4.29Å; M642-A645 WeakPolarHBondContact O-CB 3.5Å; M642-A645 PolarHBondContact O-N 3.44Å
643	L	77.1	Confident	87.6	Confident	86 Å²	86	63.4 Å²	63.4	45%	0.45	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-42.2	-178.6	-81.8	170.9	0	0	0	113.3	E634 L637 K638 A645	E634-L643 HydrophobicContact CB-CD2 4.45Å; L637-L643 HydrophobicContact CB-CD2 3.84Å; L637-L643 HydrophobicContact CB-CG 4.24Å; L637-L643 PolarHBondContact O-N 2.94Å; K638-L643 HydrophobicContact CB-CD1 3.58Å; K638-L643 HydrophobicContact CB-CG 4.04Å; K638-L643 HydrophobicContact CD-CD1 4.11Å; K638-L643 HydrophobicContact CG-CD1 3.61Å; L643-A645 VanDerWaalsContact C-N 3.31Å
644	D	78.4	Confident	88	Confident	155 Å²	155	62.8 Å²	62.8	83%	0.829	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	2.4	-178.1	-66.6	-43.1	0	0	0	113
645	A	83.3	Confident	88.5	Confident	26 Å²	26	58.5 Å²	58.5	22%	0.215	30%	0.295	C	S	.	.			trans	-70.3	139.5	-178.6	0	0	0	0	0	111.2	E606 L610 M642 L643	E606-A645 HydrophobicContact CG-CB 4.08Å; E606-A645 WeakPolarHBondContact OE1-CB 3.17Å; L610-A645 HydrophobicContact CD1-CB 3.76Å; L610-A645 HydrophobicContact CD2-CB 4.42Å; M642-A645 HydrophobicContact CB-CB 4.29Å; M642-A645 WeakPolarHBondContact O-CB 3.5Å; M642-A645 PolarHBondContact O-N 3.44Å; L643-A645 VanDerWaalsContact C-N 3.31Å
646	K	88.6	Confident	89.1	Confident	109 Å²	109	62.1 Å²	62.1	47%	0.474	31%	0.31	S	S	.	.			trans	-115.9	113.3	-174.9	-63.3	179.1	-174	169.8	0	110.1	Y648 L649	K646-Y648 HydrophobicContact CB-CD1 3.99Å; K646-Y648 HydrophobicContact CB-CE1 3.65Å; K646-Y648 HydrophobicContact CD-CE1 3.66Å; K646-Y648 VanDerWaalsContact CD-OH 3.28Å; K646-Y648 WeakPolarHBondContact CD-OH 3.41Å; K646-Y648 HydrophobicContact CG-CE1 4.1Å; K646-Y648 PolarHBondContact O-N 2.84Å; K646-L649 HydrophobicContact CB-CD1 3.99Å; K646-L649 HydrophobicContact CB-CG 4.06Å; K646-L649 HydrophobicContact CD-CD1 4.25Å; K646-L649 WeakPolarHBondContact O-CB 3.23Å; K646-L649 PolarHBondContact O-N 3.24Å
647	L	89.9	Confident	89.6	Confident	36 Å²	36	64.1 Å²	64.1	19%	0.188	32%	0.319	C	S	.	.	H	α-helix	trans	-50.3	-38.2	-177.7	-175	66.3	0	0	0	114.3	L535 L539 G607 L610 L649 D650 F651	L535-L647 HydrophobicContact CD1-CD2 3.82Å; L535-L647 HydrophobicContact CD2-CD2 3.96Å; L535-L647 HydrophobicContact CG-CD2 4.41Å; L539-L647 HydrophobicContact CD1-CD1 4.21Å; G607-L647 WeakPolarHBondContact O-CD1 3.44Å; L610-L647 HydrophobicContact CB-CD1 4.14Å; L610-L647 HydrophobicContact CD1-CB 4.46Å; L647-L649 VanDerWaalsContact C-N 3.28Å; L647-L649 PolarHBondContact O-N 3.32Å; L647-D650 WeakPolarHBondContact O-CB 3.49Å; L647-D650 PolarHBondContact O-N 3.4Å; L647-F651 HydrophobicContact CD1-CE2 4.16Å; L647-F651 HydrophobicContact CG-CD2 4.35Å; L647-F651 HydrophobicContact CG-CE2 4.04Å; L647-F651 WeakPolarHBondContact O-CD2 3.48Å; L647-F651 PolarHBondContact O-N 2.83Å
648	Y	91.8	Very high	90.1	Very high	133 Å²	133	64.8 Å²	64.8	52%	0.522	32%	0.321	S	S	.	.	H	α-helix	trans	-68	-27.8	179.7	70.4	-96.2	0	0	0	113.1	K646 I652	K646-Y648 HydrophobicContact CB-CD1 3.99Å; K646-Y648 HydrophobicContact CB-CE1 3.65Å; K646-Y648 HydrophobicContact CD-CE1 3.66Å; K646-Y648 VanDerWaalsContact CD-OH 3.28Å; K646-Y648 WeakPolarHBondContact CD-OH 3.41Å; K646-Y648 HydrophobicContact CG-CE1 4.1Å; K646-Y648 PolarHBondContact O-N 2.84Å; Y648-I652 HydrophobicContact CD2-CD1 4.02Å; Y648-I652 VanDerWaalsContact O-CG1 3.29Å; Y648-I652 WeakPolarHBondContact O-CG1 3.44Å; Y648-I652 PolarHBondContact O-N 3.32Å; Y648-I652 VanDerWaalsContact O-N 3.16Å
649	L	93.3	Very high	90.5	Very high	80 Å²	80	63.9 Å²	63.9	42%	0.419	32%	0.318	S	S	.	.	H	α-helix	trans	-67.4	-40.2	175.5	-68	178.3	0	0	0	110.2	K646 L647 F651 I652 V653	K646-L649 HydrophobicContact CB-CD1 3.99Å; K646-L649 HydrophobicContact CB-CG 4.06Å; K646-L649 HydrophobicContact CD-CD1 4.25Å; K646-L649 WeakPolarHBondContact O-CB 3.23Å; K646-L649 PolarHBondContact O-N 3.24Å; L647-L649 VanDerWaalsContact C-N 3.28Å; L647-L649 PolarHBondContact O-N 3.32Å; L649-F651 VanDerWaalsContact C-N 3.33Å; L649-F651 PolarHBondContact O-N 3.27Å; L649-I652 PolarHBondContact O-N 3.45Å; L649-I652 VanDerWaalsContact O-N 3.17Å; L649-V653 WeakPolarHBondContact O-CB 3.5Å; L649-V653 VanDerWaalsContact O-CG2 3.26Å; L649-V653 WeakPolarHBondContact O-CG2 3.43Å; L649-V653 PolarHBondContact O-N 3.3Å
650	D	93.9	Very high	91.1	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-45.9	177	-61.5	-45.5	0	0	0	111.7	Y603 G607 L647 I652 V653 L654	Y603-D650 WeakPolarHBondContact CD1-OD1 3.46Å; G607-D650 WeakPolarHBondContact CA-OD2 3.22Å; G607-D650 PolarHBondContact N-OD2 3.5Å; L647-D650 WeakPolarHBondContact O-CB 3.49Å; L647-D650 PolarHBondContact O-N 3.4Å; D650-I652 PolarHBondContact O-N 3.17Å; D650-V653 PolarHBondContact O-N 3.4Å; D650-L654 WeakPolarHBondContact O-CB 3.49Å; D650-L654 VanDerWaalsContact O-CG 3.25Å; D650-L654 WeakPolarHBondContact O-CG 3.45Å; D650-L654 PolarHBondContact O-N 3.36Å
651	F	95.6	Very high	91.6	Very high	48 Å²	48	60.2 Å²	60.2	21%	0.211	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-45.9	175.6	-81.8	-77	0	0	0	112.6	L535 S538 L539 L542 L647 L649 A655	L535-F651 HydrophobicContact CD2-CE2 3.87Å; L535-F651 HydrophobicContact CD2-CZ 3.98Å; S538-F651 WeakPolarHBondContact OG-CE1 3.46Å; S538-F651 VanDerWaalsContact OG-CZ 3.26Å; S538-F651 WeakPolarHBondContact OG-CZ 3.37Å; L539-F651 HydrophobicContact CD1-CZ 4.42Å; L539-F651 HydrophobicContact CD2-CD1 4.42Å; L539-F651 HydrophobicContact CD2-CD2 4.39Å; L539-F651 HydrophobicContact CD2-CE1 4.05Å; L539-F651 HydrophobicContact CD2-CE2 4.02Å; L539-F651 HydrophobicContact CD2-CZ 3.83Å; L539-F651 HydrophobicContact CG-CE1 4.13Å; L539-F651 HydrophobicContact CG-CE2 4.14Å; L539-F651 HydrophobicContact CG-CZ 3.66Å; L542-F651 HydrophobicContact CD1-CD1 3.32Å; L542-F651 HydrophobicContact CD1-CE1 3.6Å; L542-F651 HydrophobicContact CD1-CG 4.49Å; L647-F651 HydrophobicContact CD1-CE2 4.16Å; L647-F651 HydrophobicContact CG-CD2 4.35Å; L647-F651 HydrophobicContact CG-CE2 4.04Å; L647-F651 WeakPolarHBondContact O-CD2 3.48Å; L647-F651 PolarHBondContact O-N 2.83Å; L649-F651 VanDerWaalsContact C-N 3.33Å; L649-F651 PolarHBondContact O-N 3.27Å; F651-A655 WeakPolarHBondContact O-CB 3.5Å; F651-A655 PolarHBondContact O-N 2.78Å
652	I	96.3	Very high	92.2	Very high	87 Å²	87	58.1 Å²	58.1	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-46.4	179.8	-69.4	168.7	0	0	0	110.2	Y648 L649 D650 A655 I656	Y648-I652 HydrophobicContact CD2-CD1 4.02Å; Y648-I652 VanDerWaalsContact O-CG1 3.29Å; Y648-I652 WeakPolarHBondContact O-CG1 3.44Å; Y648-I652 PolarHBondContact O-N 3.32Å; Y648-I652 VanDerWaalsContact O-N 3.16Å; L649-I652 PolarHBondContact O-N 3.45Å; L649-I652 VanDerWaalsContact O-N 3.17Å; D650-I652 PolarHBondContact O-N 3.17Å; I652-A655 PolarHBondContact O-N 2.88Å; I652-I656 HydrophobicContact CG2-CD1 3.79Å; I652-I656 HydrophobicContact CG2-CG1 4.47Å; I652-I656 VanDerWaalsContact O-CG1 3.28Å; I652-I656 WeakPolarHBondContact O-CG1 3.4Å; I652-I656 PolarHBondContact O-N 2.95Å
653	V	96	Very high	92.7	Very high	33 Å²	33	61.5 Å²	61.5	20%	0.2	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-44.8	-178.7	174.2	0	0	0	0	110.8	Y603 L649 D650 A655 I656 F657	Y603-V653 HydrophobicContact CD1-CB 4.18Å; Y603-V653 HydrophobicContact CD1-CG1 3.98Å; Y603-V653 HydrophobicContact CD1-CG2 4.5Å; Y603-V653 HydrophobicContact CD2-CG1 3.69Å; Y603-V653 HydrophobicContact CE1-CB 4.28Å; Y603-V653 HydrophobicContact CE1-CG1 3.83Å; Y603-V653 HydrophobicContact CE1-CG2 4.27Å; Y603-V653 HydrophobicContact CE2-CG1 3.55Å; Y603-V653 HydrophobicContact CG-CB 4.32Å; Y603-V653 HydrophobicContact CG-CG1 3.89Å; L649-V653 WeakPolarHBondContact O-CB 3.5Å; L649-V653 VanDerWaalsContact O-CG2 3.26Å; L649-V653 WeakPolarHBondContact O-CG2 3.43Å; L649-V653 PolarHBondContact O-N 3.3Å; D650-V653 PolarHBondContact O-N 3.4Å; V653-A655 VanDerWaalsContact C-N 3.32Å; V653-A655 PolarHBondContact O-N 3.19Å; V653-I656 WeakPolarHBondContact O-CB 3.43Å; V653-I656 PolarHBondContact O-N 2.71Å; V653-F657 HydrophobicContact CG1-CD2 3.68Å; V653-F657 HydrophobicContact CG1-CE2 3.54Å; V653-F657 VanDerWaalsContact O-CD2 3.27Å; V653-F657 WeakPolarHBondContact O-CD2 3.42Å; V653-F657 PolarHBondContact O-N 2.92Å
654	L	96.1	Very high	93.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-40.9	174.5	-73.4	173	0	0	0	112.2	L539 L542 V546 Y600 D650 F657 F658	L539-L654 HydrophobicContact CD2-CD1 3.94Å; L542-L654 HydrophobicContact CB-CB 4.32Å; L542-L654 HydrophobicContact CB-CD1 4.13Å; V546-L654 HydrophobicContact CG2-CD2 4.37Å; V546-L654 WeakPolarHBondContact CG2-O 3.41Å; Y600-L654 WeakPolarHBondContact O-CD2 3.34Å; D650-L654 WeakPolarHBondContact O-CB 3.49Å; D650-L654 VanDerWaalsContact O-CG 3.25Å; D650-L654 WeakPolarHBondContact O-CG 3.45Å; D650-L654 PolarHBondContact O-N 3.36Å; L654-F657 PolarHBondContact O-N 2.95Å; L654-F658 PolarHBondContact O-N 3.37Å
655	A	96.6	Very high	94.5	Very high	31 Å²	31	54 Å²	54	26%	0.256	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174.7	0	0	0	0	0	111.7	F651 I652 V653 F658 F659	F651-A655 WeakPolarHBondContact O-CB 3.5Å; F651-A655 PolarHBondContact O-N 2.78Å; I652-A655 PolarHBondContact O-N 2.88Å; V653-A655 VanDerWaalsContact C-N 3.32Å; V653-A655 PolarHBondContact O-N 3.19Å; A655-F658 WeakPolarHBondContact O-CB 3.46Å; A655-F658 PolarHBondContact O-N 3.44Å; A655-F659 WeakPolarHBondContact O-CD2 3.45Å; A655-F659 PolarHBondContact O-N 3.19Å
656	I	97.1	Very high	95	Very high	101 Å²	101	54.9 Å²	54.9	52%	0.518	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-45.6	174.8	-69.8	165.8	0	0	0	110.7	I652 V653 F658 F659 S660	I652-I656 HydrophobicContact CG2-CD1 3.79Å; I652-I656 HydrophobicContact CG2-CG1 4.47Å; I652-I656 VanDerWaalsContact O-CG1 3.28Å; I652-I656 WeakPolarHBondContact O-CG1 3.4Å; I652-I656 PolarHBondContact O-N 2.95Å; V653-I656 WeakPolarHBondContact O-CB 3.43Å; V653-I656 PolarHBondContact O-N 2.71Å; I656-F658 VanDerWaalsContact C-N 3.34Å; I656-F658 PolarHBondContact O-N 3.18Å; I656-F659 PolarHBondContact O-N 2.94Å; I656-S660 WeakPolarHBondContact O-CB 3.49Å; I656-S660 PolarHBondContact O-N 3.1Å; I656-S660 PolarHBondContact O-OG 3.23Å
657	F	96.8	Very high	95.4	Very high	42 Å²	42	55.1 Å²	55.1	18%	0.184	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-44.1	174.6	-86.8	-69	0	0	0	112.2	V546 I598 Y603 V653 L654 S660 L661	V546-F657 HydrophobicContact CG1-CB 3.87Å; V546-F657 HydrophobicContact CG2-CB 4.09Å; I598-F657 WeakPolarHBondContact O-CZ 3.42Å; Y603-F657 HydrophobicContact CD2-CE2 4.25Å; Y603-F657 AromaticContact CE2-CE2 3.86Å; Y603-F657 HydrophobicContact CE2-CE2 3.86Å; V653-F657 HydrophobicContact CG1-CD2 3.68Å; V653-F657 HydrophobicContact CG1-CE2 3.54Å; V653-F657 VanDerWaalsContact O-CD2 3.27Å; V653-F657 WeakPolarHBondContact O-CD2 3.42Å; V653-F657 PolarHBondContact O-N 2.92Å; L654-F657 PolarHBondContact O-N 2.95Å; F657-S660 WeakPolarHBondContact CA-OG 3.44Å; F657-S660 PolarHBondContact O-OG 3.48Å; F657-S660 VanDerWaalsContact O-OG 3.09Å; F657-L661 VanDerWaalsContact O-CB 3.29Å; F657-L661 WeakPolarHBondContact O-CB 3.42Å; F657-L661 VanDerWaalsContact O-CG 3.28Å; F657-L661 WeakPolarHBondContact O-CG 3.03Å; F657-L661 PolarHBondContact O-N 3.08Å
658	F	96.7	Very high	95.6	Very high	28 Å²	28	55.3 Å²	55.3	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-52.9	177.7	171.6	-105.7	0	0	0	111.8	L545 V546 S549 L654 A655 I656 R662	L545-F658 HydrophobicContact CB-CD2 3.91Å; L545-F658 HydrophobicContact CB-CE2 4.08Å; L545-F658 HydrophobicContact CD2-CE2 4.47Å; V546-F658 HydrophobicContact CG2-CB 3.97Å; S549-F658 WeakPolarHBondContact OG-CD2 3.43Å; L654-F658 PolarHBondContact O-N 3.37Å; A655-F658 WeakPolarHBondContact O-CB 3.46Å; A655-F658 PolarHBondContact O-N 3.44Å; I656-F658 VanDerWaalsContact C-N 3.34Å; I656-F658 PolarHBondContact O-N 3.18Å; F658-R662 HydrophobicContact CD2-CG 4.45Å; F658-R662 HydrophobicContact CE2-CG 4.18Å; F658-R662 HydrophobicContact CZ-CG 4.38Å; F658-R662 WeakPolarHBondContact O-CB 3.5Å; F658-R662 WeakPolarHBondContact O-CG 3.36Å; F658-R662 PolarHBondContact O-N 3.45Å
659	F	96.3	Very high	95.6	Very high	134 Å²	134	49 Å²	49	59%	0.588	25%	0.251	S	S	*	.	H	α-helix	trans	-67.9	-43.3	-178.5	-73	-67.7	0	0	0	112.3	A655 I656 R662 V663	A655-F659 WeakPolarHBondContact O-CD2 3.45Å; A655-F659 PolarHBondContact O-N 3.19Å; I656-F659 PolarHBondContact O-N 2.94Å; F659-R662 PolarHBondContact O-N 3.26Å; F659-V663 VanDerWaalsContact O-CG2 3.29Å; F659-V663 WeakPolarHBondContact O-CG2 3.46Å; F659-V663 PolarHBondContact O-N 3.19Å
660	S	96.6	Very high	95.5	Very high	45 Å²	45	52.2 Å²	52.2	32%	0.315	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-48.4	179.7	58.9	0	0	0	0	112.2	I656 F657 R662 V663 I664	I656-S660 WeakPolarHBondContact O-CB 3.49Å; I656-S660 PolarHBondContact O-N 3.1Å; I656-S660 PolarHBondContact O-OG 3.23Å; F657-S660 WeakPolarHBondContact CA-OG 3.44Å; F657-S660 PolarHBondContact O-OG 3.48Å; F657-S660 VanDerWaalsContact O-OG 3.09Å; S660-R662 VanDerWaalsContact C-N 3.31Å; S660-R662 PolarHBondContact O-N 3.37Å; S660-V663 PolarHBondContact O-N 3.38Å; S660-I664 VanDerWaalsContact O-CG1 3.23Å; S660-I664 WeakPolarHBondContact O-CG1 3.46Å; S660-I664 PolarHBondContact O-N 3.31Å
661	L	96	Very high	95.4	Very high	22 Å²	22	60.3 Å²	60.3	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-37.4	178.1	-71.9	172.9	0	0	0	112	V546 L550 L553 F657 I664 A665	V546-L661 HydrophobicContact CG1-CD1 3.88Å; L550-L661 HydrophobicContact CB-CD1 4.2Å; L550-L661 HydrophobicContact CD1-CD2 4.43Å; L553-L661 HydrophobicContact CD2-CD2 3.94Å; F657-L661 VanDerWaalsContact O-CB 3.29Å; F657-L661 WeakPolarHBondContact O-CB 3.42Å; F657-L661 VanDerWaalsContact O-CG 3.28Å; F657-L661 WeakPolarHBondContact O-CG 3.03Å; F657-L661 PolarHBondContact O-N 3.08Å; L661-I664 PolarHBondContact O-N 2.93Å; L661-A665 VanDerWaalsContact O-CB 3.27Å; L661-A665 WeakPolarHBondContact O-CB 3.38Å; L661-A665 PolarHBondContact O-N 3.44Å
662	R	95.3	Very high	95	Very high	17 Å²	17	59.5 Å²	59.5	6%	0.064	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-45.5	174.6	-72.5	-74	175.7	164.6	-1.7	111.7	Y498 T502 S549 F658 F659 S660 I664 A665 Y666	Y498-R662 WeakPolarHBondContact OH-CA 3.18Å; Y498-R662 WeakPolarHBondContact OH-CD 3.46Å; Y498-R662 PolarHBondContact OH-O 3.5Å; T502-R662 PolarHBondContact OG1-NH1 3.47Å; S549-R662 PolarHBondContact OG-NE 3.25Å; F658-R662 HydrophobicContact CD2-CG 4.45Å; F658-R662 HydrophobicContact CE2-CG 4.18Å; F658-R662 HydrophobicContact CZ-CG 4.38Å; F658-R662 WeakPolarHBondContact O-CB 3.5Å; F658-R662 WeakPolarHBondContact O-CG 3.36Å; F658-R662 PolarHBondContact O-N 3.45Å; F659-R662 PolarHBondContact O-N 3.26Å; S660-R662 VanDerWaalsContact C-N 3.31Å; S660-R662 PolarHBondContact O-N 3.37Å; R662-I664 PolarHBondContact O-N 3.3Å; R662-A665 PolarHBondContact O-N 3.42Å; R662-Y666 PolarHBondContact O-N 3.03Å
663	V	96	Very high	94.5	Very high	78 Å²	78	55.8 Å²	55.8	47%	0.473	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-45.4	177	171.6	0	0	0	0	110.9	F659 S660 A665 Y666 F667	F659-V663 VanDerWaalsContact O-CG2 3.29Å; F659-V663 WeakPolarHBondContact O-CG2 3.46Å; F659-V663 PolarHBondContact O-N 3.19Å; S660-V663 PolarHBondContact O-N 3.38Å; V663-A665 PolarHBondContact O-N 3.15Å; V663-Y666 WeakPolarHBondContact O-CB 3.06Å; V663-Y666 PolarHBondContact O-N 3.44Å; V663-F667 HydrophobicContact CG1-CD2 3.77Å; V663-F667 HydrophobicContact CG1-CE2 3.51Å; V663-F667 WeakPolarHBondContact O-CD2 3.48Å; V663-F667 PolarHBondContact O-N 2.9Å; V663-F667 VanDerWaalsContact O-N 3.09Å
664	I	96.6	Very high	93.8	Very high	82 Å²	82	57.7 Å²	57.7	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-46.3	176.4	-64.9	164.3	0	0	0	110.2	L553 S660 L661 R662 Y666 F667 V668	L553-I664 HydrophobicContact CD1-CG2 3.76Å; L553-I664 HydrophobicContact CD2-CG2 4.12Å; S660-I664 VanDerWaalsContact O-CG1 3.23Å; S660-I664 WeakPolarHBondContact O-CG1 3.46Å; S660-I664 PolarHBondContact O-N 3.31Å; L661-I664 PolarHBondContact O-N 2.93Å; R662-I664 PolarHBondContact O-N 3.3Å; I664-Y666 VanDerWaalsContact C-N 3.29Å; I664-Y666 PolarHBondContact O-N 3.13Å; I664-F667 PolarHBondContact O-N 3.16Å; I664-F667 VanDerWaalsContact O-N 3.12Å; I664-V668 HydrophobicContact CG2-CG2 4.25Å; I664-V668 WeakPolarHBondContact O-CG2 3.38Å; I664-V668 PolarHBondContact O-N 3.24Å
665	A	95.1	Very high	93	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-38.6	177.9	0	0	0	0	0	112.5	L552 L553 L661 R662 V663 V668 L669	L552-A665 HydrophobicContact CD2-CB 4.32Å; L552-A665 HydrophobicContact CG-CB 4.38Å; L553-A665 HydrophobicContact CB-CB 4.16Å; L553-A665 HydrophobicContact CD1-CB 4.23Å; L661-A665 VanDerWaalsContact O-CB 3.27Å; L661-A665 WeakPolarHBondContact O-CB 3.38Å; L661-A665 PolarHBondContact O-N 3.44Å; R662-A665 PolarHBondContact O-N 3.42Å; V663-A665 PolarHBondContact O-N 3.15Å; A665-V668 PolarHBondContact O-N 3.49Å; A665-L669 WeakPolarHBondContact O-CB 3.25Å; A665-L669 PolarHBondContact O-N 2.96Å
666	Y	95.3	Very high	91.7	Very high	44 Å²	44	64.5 Å²	64.5	17%	0.173	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-44.7	173.7	173.7	-93.6	0	0	0	112.2	L494 K495 Y498 R662 V663 I664 L669 R670	L494-Y666 HydrophobicContact CD2-CE2 3.87Å; L494-Y666 HydrophobicContact CG-CD2 4.46Å; L494-Y666 HydrophobicContact CG-CE2 3.79Å; K495-Y666 HydrophobicContact CG-CE2 4.42Å; K495-Y666 WeakPolarHBondContact CG-OH 3.36Å; Y498-Y666 AromaticContact CD1-CD2 3.87Å; Y498-Y666 HydrophobicContact CD1-CD2 3.87Å; Y498-Y666 HydrophobicContact CD2-CD2 4.3Å; Y498-Y666 HydrophobicContact CE1-CD2 4.47Å; Y498-Y666 AromaticContact CG-CD2 3.8Å; Y498-Y666 HydrophobicContact CG-CD2 3.8Å; R662-Y666 PolarHBondContact O-N 3.03Å; V663-Y666 WeakPolarHBondContact O-CB 3.06Å; V663-Y666 PolarHBondContact O-N 3.44Å; I664-Y666 VanDerWaalsContact C-N 3.29Å; I664-Y666 PolarHBondContact O-N 3.13Å; Y666-L669 PolarHBondContact O-N 2.98Å; Y666-R670 WeakPolarHBondContact O-CB 3.38Å; Y666-R670 PolarHBondContact O-N 3.35Å
667	F	95.6	Very high	90.2	Very high	114 Å²	114	64.1 Å²	64.1	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-67.8	-39.1	177.9	-77.3	-68.4	0	0	0	112.7	V663 I664 L669 R670 Y671	V663-F667 HydrophobicContact CG1-CD2 3.77Å; V663-F667 HydrophobicContact CG1-CE2 3.51Å; V663-F667 WeakPolarHBondContact O-CD2 3.48Å; V663-F667 PolarHBondContact O-N 2.9Å; V663-F667 VanDerWaalsContact O-N 3.09Å; I664-F667 PolarHBondContact O-N 3.16Å; I664-F667 VanDerWaalsContact O-N 3.12Å; F667-L669 VanDerWaalsContact C-N 3.35Å; F667-R670 WeakPolarHBondContact O-CB 3.2Å; F667-R670 PolarHBondContact O-N 3.32Å; F667-Y671 WeakPolarHBondContact O-CB 3.46Å; F667-Y671 PolarHBondContact O-N 3.3Å
668	V	94.6	Very high	89.8	Confident	40 Å²	40	65.2 Å²	65.2	24%	0.242	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-44.7	173.7	169.5	0	0	0	0	110.7	L553 A556 A557 I664 A665 R670 Y671 K672	L553-V668 HydrophobicContact CD1-CB 4.23Å; L553-V668 HydrophobicContact CD1-CG2 3.78Å; A556-V668 HydrophobicContact CB-CG1 4.17Å; A557-V668 HydrophobicContact CB-CG1 4Å; I664-V668 HydrophobicContact CG2-CG2 4.25Å; I664-V668 WeakPolarHBondContact O-CG2 3.38Å; I664-V668 PolarHBondContact O-N 3.24Å; A665-V668 PolarHBondContact O-N 3.49Å; V668-R670 VanDerWaalsContact C-N 3.34Å; V668-R670 PolarHBondContact O-N 2.93Å; V668-Y671 PolarHBondContact O-N 3.49Å; V668-K672 WeakPolarHBondContact O-CB 3.38Å; V668-K672 PolarHBondContact O-N 2.71Å
669	L	92.2	Very high	89.5	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-41	176	-176.8	58.3	0	0	0	111.8	F476 L480 F483 L494 Y498 A665 Y666 F667 K672 I673	F476-L669 HydrophobicContact CZ-CD2 4.39Å; L480-L669 HydrophobicContact CD1-CD1 3.32Å; F483-L669 HydrophobicContact CD1-CD1 4.39Å; F483-L669 HydrophobicContact CE1-CD1 4.02Å; F483-L669 HydrophobicContact CE1-CD2 4.32Å; F483-L669 HydrophobicContact CE1-CG 4.29Å; L494-L669 HydrophobicContact CD1-CD2 3.52Å; L494-L669 HydrophobicContact CD1-CG 3.79Å; Y498-L669 HydrophobicContact CD2-CD2 4.12Å; A665-L669 WeakPolarHBondContact O-CB 3.25Å; A665-L669 PolarHBondContact O-N 2.96Å; Y666-L669 PolarHBondContact O-N 2.98Å; F667-L669 VanDerWaalsContact C-N 3.35Å; L669-K672 PolarHBondContact O-N 2.93Å; L669-I673 WeakPolarHBondContact O-CG1 3.32Å; L669-I673 PolarHBondContact O-N 3.31Å
670	R	91.9	Very high	89.1	Confident	147 Å²	147	63.4 Å²	63.4	56%	0.555	31%	0.309	S	S	*	.	H	α-helix	trans	-62.1	-44.1	174.4	-172.8	-176.7	-179.5	-170.6	-0.2	111.9	L494 Y666 F667 V668 I673 S674	L494-R670 HydrophobicContact CD2-CB 3.81Å; L494-R670 HydrophobicContact CD2-CG 4.12Å; Y666-R670 WeakPolarHBondContact O-CB 3.38Å; Y666-R670 PolarHBondContact O-N 3.35Å; F667-R670 WeakPolarHBondContact O-CB 3.2Å; F667-R670 PolarHBondContact O-N 3.32Å; V668-R670 VanDerWaalsContact C-N 3.34Å; V668-R670 PolarHBondContact O-N 2.93Å; R670-I673 PolarHBondContact O-N 3.27Å; R670-S674 PolarHBondContact O-N 3.37Å; R670-S674 VanDerWaalsContact O-N 3.11Å
671	Y	90.7	Very high	88.6	Confident	171 Å²	171	64.5 Å²	64.5	67%	0.671	31%	0.309	S	S	*	.	H	α-helix	trans	-62.3	-43.7	176.4	177.5	-96.4	0	0	0	111	F667 V668 I673 S674 S675	F667-Y671 WeakPolarHBondContact O-CB 3.46Å; F667-Y671 PolarHBondContact O-N 3.3Å; V668-Y671 PolarHBondContact O-N 3.49Å; Y671-I673 PolarHBondContact O-N 3.2Å; Y671-S674 CarbonylContact O-C 3.57Å; Y671-S674 WeakPolarHBondContact O-CA 3.34Å; Y671-S674 WeakPolarHBondContact O-CB 3.47Å; Y671-S674 PolarHBondContact O-N 2.03Å; Y671-S675 PolarHBondContact O-N 3.05Å
672	K	87.6	Confident	88.2	Confident	32 Å²	32	67.2 Å²	67.2	14%	0.139	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-44.6	177.4	-170	162.6	-177	175.8	0	112.5	L480 A556 S558 V668 L669 S674 S675 E676	L480-K672 HydrophobicContact CD2-CD 3.93Å; A556-K672 WeakPolarHBondContact O-CD 3.31Å; A556-K672 PolarHBondContact O-NZ 2.88Å; S558-K672 PolarHBondContact O-NZ 3.42Å; V668-K672 WeakPolarHBondContact O-CB 3.38Å; V668-K672 PolarHBondContact O-N 2.71Å; L669-K672 PolarHBondContact O-N 2.93Å; K672-S674 VanDerWaalsContact C-N 3.25Å; K672-S674 PolarHBondContact O-N 2.76Å; K672-S675 PolarHBondContact O-N 3.11Å; K672-S675 VanDerWaalsContact O-N 3.14Å; K672-E676 WeakPolarHBondContact O-CG 2.94Å; K672-E676 PolarHBondContact O-N 3.18Å
673	I	85.8	Confident	87.7	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.046	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-39.9	172.6	-66.4	156.4	0	0	0	111.3	F483 L484 L494 L669 R670 Y671 S675 R677	F483-I673 HydrophobicContact CE1-CD1 3.77Å; F483-I673 HydrophobicContact CE1-CG1 4.11Å; F483-I673 HydrophobicContact CZ-CD1 3.85Å; L484-I673 HydrophobicContact CD2-CG1 3.76Å; L494-I673 HydrophobicContact CB-CD1 4.32Å; L494-I673 HydrophobicContact CD1-CD1 3.88Å; L494-I673 HydrophobicContact CD2-CD1 3.82Å; L494-I673 HydrophobicContact CG-CD1 4.2Å; L669-I673 WeakPolarHBondContact O-CG1 3.32Å; L669-I673 PolarHBondContact O-N 3.31Å; R670-I673 PolarHBondContact O-N 3.27Å; Y671-I673 PolarHBondContact O-N 3.2Å; I673-S675 VanDerWaalsContact C-N 3.34Å; I673-R677 WeakPolarHBondContact O-CG 3.07Å
674	S	81.9	Confident	87.1	Confident	72 Å²	72	70 Å²	70	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-72.5	-27	178.8	-165.8	0	0	0	0	113.3	R670 Y671 K672 R677	R670-S674 PolarHBondContact O-N 3.37Å; R670-S674 VanDerWaalsContact O-N 3.11Å; Y671-S674 CarbonylContact O-C 3.57Å; Y671-S674 WeakPolarHBondContact O-CA 3.34Å; Y671-S674 WeakPolarHBondContact O-CB 3.47Å; Y671-S674 PolarHBondContact O-N 2.03Å; K672-S674 VanDerWaalsContact C-N 3.25Å; K672-S674 PolarHBondContact O-N 2.76Å; S674-R677 PolarHBondContact O-N 3.26Å; S674-R677 VanDerWaalsContact O-OXT 3.14Å
675	S	77.6	Confident	86.4	Confident	76 Å²	76	69.1 Å²	69.1	53%	0.531	32%	0.322	S	S	.	.	H	α-helix	trans	-81	-25.9	177.5	-177.9	0	0	0	0	112.6	Y671 K672 I673	Y671-S675 PolarHBondContact O-N 3.05Å; K672-S675 PolarHBondContact O-N 3.11Å; K672-S675 VanDerWaalsContact O-N 3.14Å; I673-S675 VanDerWaalsContact C-N 3.34Å
676	E	70.1	Confident	85.7	Confident	98 Å²	98	74.8 Å²	74.8	46%	0.458	35%	0.348	S	S	.	.			trans	-78	-3.9	170.8	-68.2	-67.5	164.7	0	0	112.2	K672	K672-E676 WeakPolarHBondContact O-CG 2.94Å; K672-E676 PolarHBondContact O-N 3.18Å
677	R	64.8	Low	84.8	Confident	93 Å²	93	77.5 Å²	77.5	35%	0.351	36%	0.364	S	S	.	.			trans	-102.2	0	173.2	-70.9	174.2	-178.9	-171.9	2.7	110.3	Y149 R150 E151 L488 I673 S674	Y149-R677 VanDerWaalsContact O-CA 3.3Å; Y149-R677 WeakPolarHBondContact O-CA 3.08Å; R150-R677 WeakPolarHBondContact CA-O 2.96Å; E151-R677 PolarHBondContact N-O 3.01Å; E151-R677 VanDerWaalsContact N-O 3.15Å; L488-R677 HydrophobicContact CD2-CG 4.46Å; I673-R677 WeakPolarHBondContact O-CG 3.07Å; S674-R677 PolarHBondContact O-N 3.26Å; S674-R677 VanDerWaalsContact O-OXT 3.14Å

Retrieved 677 of 677 residues in 315 ms (Link to these results)

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