A0A2K6DJK3_MACNE Loading...

Zinc finger protein with KRAB and SCAN domains 8

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A2K6DJK3, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ZKSCAN8, Length 578 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	36.1	Very low	238 Å²	238	151.5 Å²	151.5	100%	1.172	83%	0.833	S	S	*	*				0	105.1	0	-64.3	164.2	177.8	0	0	104.4
2	A	35.6	Very low	35.9	Very low	86 Å²	86	148.5 Å²	148.5	71%	0.711	83%	0.83	S	S	*	*				73.7	130.7	76	0	0	0	0	0	109.6
3	E	32.9	Very low	37	Very low	174 Å²	174	146.1 Å²	146.1	81%	0.813	83%	0.825	S	S	*	*			cis	-137.7	151.3	6.6	-98.5	133.9	113.7	0	0	108.8
4	E	36.7	Very low	37.2	Very low	178 Å²	178	145 Å²	145	83%	0.832	83%	0.827	S	S	*	*				86.4	133.5	67.6	-158.2	174.5	150.1	0	0	116.1
5	S	39.9	Very low	36.7	Very low	105 Å²	105	144.3 Å²	144.3	73%	0.734	82%	0.819	S	S	*	*			trans	-45	159.8	-178.6	-40.5	0	0	0	0	119.3
6	R	39.6	Very low	36.4	Very low	249 Å²	249	147 Å²	147	94%	0.94	82%	0.823	S	S	*	*			trans	-158.1	149.5	134.6	-112.9	162.2	-162.5	-158.2	3.4	115.3
7	K	37.9	Very low	36	Very low	189 Å²	189	144.8 Å²	144.8	82%	0.822	81%	0.814	S	S	*	*			trans	-92.8	163	165.7	-74.5	-179.5	173.2	179.6	0	110.3
8	P	40.5	Very low	36	Very low	118 Å²	118	143.5 Å²	143.5	77%	0.766	81%	0.813	S	S	*	*				-122.2	154.8	105	35.1	-30.3	0	0	0	111.3
9	S	31.1	Very low	35.7	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	81%	0.812	S	S	*	*			cis	81.3	125	37.1	-54.5	0	0	0	0	112.9
10	A	34.1	Very low	35.5	Very low	96 Å²	96	147.3 Å²	147.3	79%	0.793	82%	0.816	S	S	*	*			trans	-111.5	163.5	-168.8	0	0	0	0	0	113.1
11	P	36.6	Very low	35.2	Very low	123 Å²	123	147.6 Å²	147.6	80%	0.799	82%	0.816	S	S	*	*			trans	-109.1	162.3	157.4	37.8	-28.8	0	0	0	112.6
12	S	33.1	Very low	35	Very low	115 Å²	115	143 Å²	143	80%	0.804	80%	0.796	S	S	*	*			trans	-123.8	-178.2	173.6	-48.4	0	0	0	0	109.3
13	P	50.3	Low	34.6	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	80%	0.801	S	S	*	*			trans	-95.8	-179.9	-134.2	42.2	-43.3	0	0	0	115.3
14	P	40.7	Very low	34.4	Very low	131 Å²	131	143.7 Å²	143.7	85%	0.851	80%	0.796	S	S	*	*			trans	-114.7	170.5	140.7	37.6	-29.7	0	0	0	113
15	D	29.2	Very low	33.9	Very low	134 Å²	134	141.1 Å²	141.1	72%	0.717	79%	0.792	S	S	*	*			trans	-113.4	150.3	-166.4	171.6	38.4	0	0	0	112.9
16	Q	31.3	Very low	33.1	Very low	188 Å²	188	144.4 Å²	144.4	88%	0.879	79%	0.794	S	S	*	*			trans	-177.8	141.7	152.9	-108.5	146	88.4	0	0	113.7
17	T	30	Very low	32.4	Very low	109 Å²	109	139.1 Å²	139.1	67%	0.669	79%	0.789	S	S	*	*			trans	-94.9	172.6	174.3	55.8	0	0	0	0	111.9
18	P	36.2	Very low	31.9	Very low	122 Å²	122	138.1 Å²	138.1	79%	0.792	79%	0.787	S	S	*	*				-119.7	155.9	74.7	8	14.6	0	0	0	112.1
19	E	30.9	Very low	31.2	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	79%	0.789	S	S	*	*			cis	80.7	151.7	48.9	-66	-155.4	147.7	0	0	115.5
20	E	31.7	Very low	30.9	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	79%	0.794	S	S	*	*			trans	68.8	128.6	-170.7	-61.5	-180	-166.8	0	0	116.3
21	D	28.8	Very low	30.6	Very low	153 Å²	153	146.7 Å²	146.7	82%	0.818	79%	0.793	S	S	*	*			cis	-154.3	155	-15.3	-157.1	0.2	0	0	0	111
22	L	28.2	Very low	30	Very low	143 Å²	143	144 Å²	144	75%	0.749	79%	0.787	S	S	*	*			trans	-134.7	102.7	-171	-109.8	172.8	0	0	0	113.6	I24	L22-I24 PolarHBondContact O-N 2.98Å
23	V	27.2	Very low	29.7	Very low	134 Å²	134	149.9 Å²	149.9	81%	0.812	79%	0.792	S	S	*	*			trans	-80.5	99.1	174.5	-177.9	0	0	0	0	110.6
24	I	27.6	Very low	28.6	Very low	140 Å²	140	150.8 Å²	150.8	72%	0.718	79%	0.791	S	S	*	*			trans	-95.4	111.2	172.5	-59.6	176.3	0	0	0	109.3	L22 K26	L22-I24 PolarHBondContact O-N 2.98Å; I24-K26 PolarHBondContact O-N 3.14Å
25	V	26.7	Very low	27.9	Very low	123 Å²	123	152.5 Å²	152.5	75%	0.745	79%	0.787	S	S	*	*			trans	-81.4	112.2	169.6	178.2	0	0	0	0	108.8
26	K	24	Very low	27.7	Very low	175 Å²	175	153.6 Å²	153.6	76%	0.761	79%	0.788	S	S	*	*			trans	-64.7	140	164.9	-86.7	-177.1	165	-168.9	0	110.4	I24	I24-K26 PolarHBondContact O-N 3.14Å
27	V	25.4	Very low	27.5	Very low	138 Å²	138	150.7 Å²	150.7	84%	0.836	79%	0.789	S	S	*	*			trans	-124.8	142.3	148	-179.4	0	0	0	0	105.7
28	E	25.5	Very low	27.3	Very low	168 Å²	168	150.6 Å²	150.6	79%	0.785	79%	0.793	S	S	*	*			trans	-91.7	133.9	-161.5	-69.2	161.2	136.9	0	0	112.6
29	E	27.8	Very low	26.8	Very low	172 Å²	172	152.6 Å²	152.6	80%	0.804	80%	0.796	S	S	*	*			trans	-92.8	90.6	170.8	-68.2	-176.3	133.8	0	0	109.6	H31	E29-H31 PolarHBondContact O-N 3.35Å
30	D	24.1	Very low	27	Very low	166 Å²	166	152.9 Å²	152.9	89%	0.888	80%	0.797	S	S	*	*			trans	-80.5	117.4	175.2	-120.3	-11.9	0	0	0	110.6
31	H	27.7	Very low	26.8	Very low	167 Å²	167	152.6 Å²	152.6	77%	0.773	80%	0.795	S	S	*	*			trans	-101	107.8	174.7	-77.2	45	0	0	0	109.6	E29	E29-H31 PolarHBondContact O-N 3.35Å
32	G	23.5	Very low	27.2	Very low	66 Å²	66	152.5 Å²	152.5	68%	0.68	80%	0.795	S	S	*	*			trans	-131.7	117.6	173.5	0	0	0	0	0	111.6
33	W	26.9	Very low	27.7	Very low	238 Å²	238	148.9 Å²	148.9	90%	0.902	78%	0.776	S	S	*	*			trans	-136.9	161.7	173	-90.1	86	0	0	0	110.4
34	D	26.6	Very low	28.4	Very low	136 Å²	136	146 Å²	146	73%	0.727	76%	0.761	S	S	*	*			trans	70.4	106.3	166.8	-53.4	-24.9	0	0	0	119.2
35	Q	26.8	Very low	29.3	Very low	168 Å²	168	145.2 Å²	145.2	79%	0.785	76%	0.764	S	S	*	*				-153.8	152.5	98.4	-160.1	73.1	67.7	0	0	109.8
36	E	26.1	Very low	30.6	Very low	156 Å²	156	140.4 Å²	140.4	73%	0.729	74%	0.74	S	S	*	*			trans	-74.2	154.6	-165.9	-51	122.9	106.7	0	0	116.1
37	S	25.6	Very low	32.5	Very low	128 Å²	128	132.5 Å²	132.5	90%	0.895	71%	0.705	S	S	*	*			trans	-156.5	150.6	131.1	-81.9	0	0	0	0	110.5
38	S	26.7	Very low	34.4	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	67%	0.673	S	S	*	*			trans	-98.1	143.6	-167	51.8	0	0	0	0	114.3
39	L	26.4	Very low	36.4	Very low	164 Å²	164	123.9 Å²	123.9	86%	0.859	66%	0.658	S	S	*	*				168.5	170.7	124.2	-87	164.5	0	0	0	110.1	E41	L39-E41 PolarHBondContact O-N 3.14Å
40	H	33.4	Very low	38.4	Very low	177 Å²	177	117.9 Å²	117.9	82%	0.819	63%	0.63	S	S	*	*			trans	-52.4	130.4	179.1	-92.9	-104	0	0	0	113.2
41	E	27.8	Very low	40.7	Very low	185 Å²	185	110 Å²	110	86%	0.864	59%	0.588	S	S	*	*			trans	-167.6	175.5	130.5	-111.2	162.1	-156.1	0	0	112.5	L39	L39-E41 PolarHBondContact O-N 3.14Å
42	N	36.6	Very low	42.6	Very low	152 Å²	152	104.7 Å²	104.7	81%	0.813	56%	0.564	S	S	*	*			trans	-90.3	173.8	-153.5	-57.6	-53.1	0	0	0	115.5
43	N	38.8	Very low	44.7	Very low	67 Å²	67	108 Å²	108	36%	0.358	56%	0.556	S	S	.	*			trans	-1.1	127.6	168.8	-147.8	21.9	0	0	0	119.3	Q47 E117	N43-Q47 PolarHBondContact ND2-OE1 3.46Å; N43-E117 WeakPolarHBondContact CB-OE2 3.45Å; N43-E117 PolarHBondContact ND2-OE2 3.41Å
44	P	41.8	Very low	47.1	Very low	74 Å²	74	99.3 Å²	99.3	48%	0.481	53%	0.525	S	S	.	.			trans	-80.8	144.4	-177.4	31.6	-35.5	0	0	0	113.6	G46	P44-G46 PolarHBondContact O-N 3.13Å
45	P	47.9	Very low	49.2	Very low	123 Å²	123	96.8 Å²	96.8	80%	0.799	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	20.9	-160.1	-20.2	34.8	0	0	0	118.2
46	G	53.6	Low	51.2	Low	22 Å²	22	95.1 Å²	95.1	23%	0.227	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-19.1	179.1	0	0	0	0	0	114.5	P44 L49 F50	P44-G46 PolarHBondContact O-N 3.13Å; G46-L49 WeakPolarHBondContact O-CB 3.39Å; G46-L49 PolarHBondContact O-N 2.9Å; G46-F50 WeakPolarHBondContact O-CD2 3.4Å; G46-F50 PolarHBondContact O-N 3.19Å
47	Q	63.2	Low	53.3	Low	9 Å²	9	90 Å²	90	4%	0.042	48%	0.475	C	S	.	.	H	α-helix	trans	-70.1	-46.3	-163.7	-164.1	170.3	7.4	0	0	113	N43 L49 F50 R51 W79	N43-Q47 PolarHBondContact ND2-OE1 3.46Å; Q47-L49 VanDerWaalsContact C-N 3.29Å; Q47-L49 PolarHBondContact O-N 2.94Å; Q47-F50 PolarHBondContact O-N 2.96Å; Q47-R51 PolarHBondContact O-N 3.29Å; Q47-W79 VanDerWaalsContact CG-O 3.27Å; Q47-W79 WeakPolarHBondContact CG-O 3.41Å; Q47-W79 PolarHBondContact NE2-O 3.06Å
48	E	65.1	Low	55.3	Low	35 Å²	35	87.2 Å²	87.2	16%	0.164	46%	0.455	C	S	.	.	H	α-helix	trans	-65	-30	176.1	-173.2	58.7	-151.2	0	0	112.3	F50 R51 L52 R55	E48-F50 PolarHBondContact O-N 2.92Å; E48-R51 VanDerWaalsContact CD-CD 3.48Å; E48-R51 WeakPolarHBondContact O-CB 3.22Å; E48-R51 PolarHBondContact O-N 2.84Å; E48-R51 WeakPolarHBondContact OE1-CD 3.47Å; E48-R51 IonicContact OE1-NH1 2.7Å; E48-R51 WeakPolarHBondContact OE2-CD 3.35Å; E48-R51 IonicContact OE2-CZ 3.97Å; E48-R51 IonicContact OE2-NE 2.76Å; E48-R51 IonicContact OE2-NH1 3.06Å; E48-R51 PolarHBondContact OE2-NH1 3.12Å; E48-L52 HydrophobicContact CG-CD1 4.06Å; E48-L52 HydrophobicContact CG-CG 4.23Å; E48-L52 WeakPolarHBondContact O-CB 3.5Å; E48-L52 VanDerWaalsContact O-CG 3.31Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 3.27Å; E48-R55 IonicContact OE1-NH1 2.76Å
49	L	68.4	Low	57	Low	89 Å²	89	89 Å²	89	47%	0.466	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-40.5	175.8	-172.6	69	0	0	0	112.1	G46 Q47 R53	G46-L49 WeakPolarHBondContact O-CB 3.39Å; G46-L49 PolarHBondContact O-N 2.9Å; Q47-L49 VanDerWaalsContact C-N 3.29Å; Q47-L49 PolarHBondContact O-N 2.94Å; L49-R53 WeakPolarHBondContact O-CG 3.48Å; L49-R53 PolarHBondContact O-N 3.17Å; L49-R53 VanDerWaalsContact O-N 3.1Å
50	F	70.3	Confident	58.5	Low	46 Å²	46	90.4 Å²	90.4	20%	0.202	45%	0.448	C	S	.	.	H	α-helix	trans	-72	-34.2	176.4	-65.2	-67	0	0	0	112	G46 Q47 E48 R53 F54 L75 Q78 W79	G46-F50 WeakPolarHBondContact O-CD2 3.4Å; G46-F50 PolarHBondContact O-N 3.19Å; Q47-F50 PolarHBondContact O-N 2.96Å; E48-F50 PolarHBondContact O-N 2.92Å; F50-R53 PolarHBondContact O-N 3.3Å; F50-F54 WeakPolarHBondContact O-CB 3.37Å; F50-F54 PolarHBondContact O-N 3.3Å; F50-L75 HydrophobicContact CD1-CD2 4.33Å; F50-Q78 HydrophobicContact CB-CB 4.11Å; F50-Q78 HydrophobicContact CD1-CB 3.65Å; F50-Q78 HydrophobicContact CD1-CG 4.37Å; F50-Q78 HydrophobicContact CD2-CB 3.97Å; F50-Q78 HydrophobicContact CE1-CB 4.03Å; F50-Q78 HydrophobicContact CE1-CG 4.34Å; F50-Q78 HydrophobicContact CE2-CB 4.34Å; F50-Q78 HydrophobicContact CG-CB 3.63Å; F50-Q78 HydrophobicContact CZ-CB 4.37Å; F50-W79 HydrophobicContact CB-CB 4.02Å
51	R	72.4	Confident	59.4	Low	2 Å²	2	89 Å²	89	1%	0.008	44%	0.442	C	S	.	.	H	α-helix	trans	-63.7	-46.8	172.7	-168.7	-166	-164.4	170.5	5.5	112.6	Q47 E48 R53 F54 R55 W79 L96 E97	Q47-R51 PolarHBondContact O-N 3.29Å; E48-R51 VanDerWaalsContact CD-CD 3.48Å; E48-R51 WeakPolarHBondContact O-CB 3.22Å; E48-R51 PolarHBondContact O-N 2.84Å; E48-R51 WeakPolarHBondContact OE1-CD 3.47Å; E48-R51 IonicContact OE1-NH1 2.7Å; E48-R51 WeakPolarHBondContact OE2-CD 3.35Å; E48-R51 IonicContact OE2-CZ 3.97Å; E48-R51 IonicContact OE2-NE 2.76Å; E48-R51 IonicContact OE2-NH1 3.06Å; E48-R51 PolarHBondContact OE2-NH1 3.12Å; R51-R53 VanDerWaalsContact C-N 3.33Å; R51-R53 PolarHBondContact O-N 2.96Å; R51-F54 WeakPolarHBondContact O-CB 3.34Å; R51-F54 PolarHBondContact O-N 3.12Å; R51-R55 WeakPolarHBondContact O-CG 3.37Å; R51-R55 PolarHBondContact O-N 3.42Å; R51-W79 HydrophobicContact CB-CD2 4.18Å; R51-W79 HydrophobicContact CB-CG 3.94Å; R51-W79 HydrophobicContact CG-CD2 4.06Å; R51-W79 HydrophobicContact CG-CG 4.34Å; R51-W79 HydrophobicContact CG-CZ2 4.03Å; R51-L96 VanDerWaalsContact NH2-CG 3.33Å; R51-E97 IonicContact CZ-OE2 2.76Å; R51-E97 IonicContact NE-OE2 3.31Å; R51-E97 PolarHBondContact NE-OE2 3.19Å; R51-E97 IonicContact NH2-OE2 3.66Å; R51-E97 PolarHBondContact NH2-OE2 3.2Å
52	L	66.8	Low	60.7	Low	54 Å²	54	81.1 Å²	81.1	28%	0.283	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-40.7	176.4	-70.7	170.2	0	0	0	111.1	E48 R55 Q56	E48-L52 HydrophobicContact CG-CD1 4.06Å; E48-L52 HydrophobicContact CG-CG 4.23Å; E48-L52 WeakPolarHBondContact O-CB 3.5Å; E48-L52 VanDerWaalsContact O-CG 3.31Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 3.27Å; L52-R55 WeakPolarHBondContact O-CB 3.48Å; L52-R55 PolarHBondContact O-N 3.35Å; L52-Q56 WeakPolarHBondContact O-CB 3.31Å; L52-Q56 WeakPolarHBondContact O-CG 3.06Å; L52-Q56 PolarHBondContact O-N 3.37Å
53	R	68.1	Low	61.4	Low	135 Å²	135	82.5 Å²	82.5	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-37.7	172.3	-74.1	175.8	177	-168.2	-0.6	113	L49 F50 R51 Q56 L57 L75	L49-R53 WeakPolarHBondContact O-CG 3.48Å; L49-R53 PolarHBondContact O-N 3.17Å; L49-R53 VanDerWaalsContact O-N 3.1Å; F50-R53 PolarHBondContact O-N 3.3Å; R51-R53 VanDerWaalsContact C-N 3.33Å; R51-R53 PolarHBondContact O-N 2.96Å; R53-Q56 PolarHBondContact O-N 3Å; R53-L57 PolarHBondContact O-N 3.35Å; R53-L75 HydrophobicContact CB-CD1 4.43Å; R53-L75 HydrophobicContact CB-CD2 3.92Å
54	F	76.1	Confident	62.7	Low	57 Å²	57	80.2 Å²	80.2	25%	0.25	41%	0.405	C	S	.	.	H	α-helix	trans	-62.4	-43.5	173.8	177.4	-101.4	0	0	0	111.8	F50 R51 Q56 L72 L75 C76 W79	F50-F54 WeakPolarHBondContact O-CB 3.37Å; F50-F54 PolarHBondContact O-N 3.3Å; R51-F54 WeakPolarHBondContact O-CB 3.34Å; R51-F54 PolarHBondContact O-N 3.12Å; F54-Q56 VanDerWaalsContact C-N 3.33Å; F54-Q56 PolarHBondContact O-N 3.32Å; F54-L72 HydrophobicContact CD2-CD2 3.95Å; F54-L72 HydrophobicContact CE2-CD2 3.61Å; F54-L72 HydrophobicContact CZ-CD2 4.5Å; F54-L75 HydrophobicContact CB-CB 4.22Å; F54-L75 HydrophobicContact CD2-CB 4.25Å; F54-C76 WeakPolarHBondContact CE2-SG 3.42Å; F54-W79 HydrophobicContact CD1-CE3 4.34Å; F54-W79 HydrophobicContact CD1-CZ3 4.22Å; F54-W79 HydrophobicContact CE1-CZ3 4.29Å
55	R	70.9	Confident	63.6	Low	82 Å²	82	80.9 Å²	80.9	31%	0.309	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-35.4	173.7	-72.9	173.1	161.3	168	-5.7	113.7	E48 R51 L52 E97	E48-R55 IonicContact OE1-NH1 2.76Å; R51-R55 WeakPolarHBondContact O-CG 3.37Å; R51-R55 PolarHBondContact O-N 3.42Å; L52-R55 WeakPolarHBondContact O-CB 3.48Å; L52-R55 PolarHBondContact O-N 3.35Å; R55-E97 IonicContact CZ-OE1 3.34Å; R55-E97 VanDerWaalsContact CZ-OE1 3.31Å; R55-E97 IonicContact CZ-OE2 3.92Å; R55-E97 IonicContact NE-OE1 3.93Å; R55-E97 PolarHBondContact NE-OE1 3.41Å; R55-E97 IonicContact NE-OE2 3.49Å; R55-E97 PolarHBondContact NE-OE2 3.15Å; R55-E97 IonicContact NH2-OE1 3.12Å; R55-E97 PolarHBondContact NH2-OE1 3.3Å; R55-E97 IonicContact NH2-OE2 3.6Å; R55-E97 PolarHBondContact NH2-OE2 3.3Å
56	Q	68.5	Low	64	Low	134 Å²	134	85 Å²	85	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-90.3	-6.3	-172.2	-71.9	170.5	-4.3	0	0	114.3	L52 R53 F54 C58	L52-Q56 WeakPolarHBondContact O-CB 3.31Å; L52-Q56 WeakPolarHBondContact O-CG 3.06Å; L52-Q56 PolarHBondContact O-N 3.37Å; R53-Q56 PolarHBondContact O-N 3Å; F54-Q56 VanDerWaalsContact C-N 3.33Å; F54-Q56 PolarHBondContact O-N 3.32Å; Q56-C58 PolarHBondContact O-N 3.39Å
57	L	71.6	Confident	64.7	Low	47 Å²	47	87.4 Å²	87.4	25%	0.246	42%	0.415	C	S	.	.			trans	-66.8	100.1	-173.8	-169.9	79.4	0	0	0	112.4	R53 Q71 L72 L75	R53-L57 PolarHBondContact O-N 3.35Å; L57-Q71 HydrophobicContact CD2-CB 4.39Å; L57-L72 HydrophobicContact CD2-CD2 3.58Å; L57-L72 HydrophobicContact CD2-CG 3.59Å; L57-L75 HydrophobicContact CD1-CD1 4.28Å; L57-L75 HydrophobicContact CD2-CD1 4.5Å
58	C	66.4	Low	65.1	Low	71 Å²	71	87.4 Å²	87.4	48%	0.48	42%	0.416	S	S	.	.			trans	-83.5	124.9	179	-79.8	0	0	0	0	111.5	Q56 Q60 E61	Q56-C58 PolarHBondContact O-N 3.39Å; C58-Q60 PolarHBondContact O-N 3.32Å; C58-E61 HydrophobicContact CB-CG 4.06Å; C58-E61 WeakPolarHBondContact O-CB 3.35Å; C58-E61 PolarHBondContact O-N 3.15Å
59	Y	63.3	Low	65.3	Low	144 Å²	144	89.7 Å²	89.7	57%	0.565	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-53.5	-29.9	179.3	-177.6	-94.6	0	0	0	113.8	E61 T62 P65 A68	Y59-E61 PolarHBondContact O-N 3.1Å; Y59-T62 PolarHBondContact O-N 3.26Å; Y59-T62 PolarHBondContact O-OG1 2.93Å; Y59-P65 HydrophobicContact CE2-CB 4.17Å; Y59-P65 WeakPolarHBondContact OH-CD 3.44Å; Y59-A68 HydrophobicContact CD2-CB 4.1Å; Y59-A68 HydrophobicContact CE2-CB 4.27Å
60	Q	57.4	Low	65.5	Low	193 Å²	193	90.1 Å²	90.1	90%	0.902	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.5	178.2	-65.4	-176.5	-6.1	0	0	114.2	C58	C58-Q60 PolarHBondContact O-N 3.32Å
61	E	53.4	Low	65.6	Low	147 Å²	147	91.2 Å²	91.2	69%	0.687	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-89.5	-2.9	-178	-57.3	179.5	135.3	0	0	112.7	C58 Y59	C58-E61 HydrophobicContact CB-CG 4.06Å; C58-E61 WeakPolarHBondContact O-CB 3.35Å; C58-E61 PolarHBondContact O-N 3.15Å; Y59-E61 PolarHBondContact O-N 3.1Å
62	T	54.1	Low	65.7	Low	20 Å²	20	94 Å²	94	12%	0.123	45%	0.451	C	S	.	.	S	Bend	trans	-109	145.7	-171	70.4	0	0	0	0	112.8	Y59 G64 A68	Y59-T62 PolarHBondContact O-N 3.26Å; Y59-T62 PolarHBondContact O-OG1 2.93Å; T62-G64 PolarHBondContact O-N 3.08Å; T62-A68 HydrophobicContact CG2-CB 4.06Å
63	L	51.3	Low	66	Low	181 Å²	181	97 Å²	97	95%	0.948	46%	0.459	S	S	*	.	S	Bend	trans	-74.7	27.6	177.9	-70.4	170.3	0	0	0	114
64	G	65.4	Low	66.3	Low	19 Å²	19	92.6 Å²	92.6	20%	0.196	45%	0.452	C	S	.	.	S	Bend	trans	120.9	173.7	172.5	0	0	0	0	0	114.8	T62 R66 E67 A68	T62-G64 PolarHBondContact O-N 3.08Å; G64-R66 PolarHBondContact O-N 3.46Å; G64-R66 VanDerWaalsContact O-N 3.1Å; G64-E67 PolarHBondContact O-N 3.47Å; G64-A68 PolarHBondContact O-N 2.99Å; G64-A68 VanDerWaalsContact O-N 3.08Å
65	P	60.4	Low	66.3	Low	89 Å²	89	90.9 Å²	90.9	58%	0.578	45%	0.445	S	S	*	.	H	α-helix	trans	-70	-14.9	-164.3	26.8	-35.2	0	0	0	115	Y59 L69	Y59-P65 HydrophobicContact CE2-CB 4.17Å; Y59-P65 WeakPolarHBondContact OH-CD 3.44Å; P65-L69 PolarHBondContact O-N 3.49Å
66	R	57.3	Low	66.6	Low	209 Å²	209	88.2 Å²	88.2	79%	0.789	44%	0.439	S	S	*	.	H	α-helix	trans	-77.3	-41.9	170.6	-73.1	-176.7	173.6	-83.9	0.2	111.5	G64 L69 I70	G64-R66 PolarHBondContact O-N 3.46Å; G64-R66 VanDerWaalsContact O-N 3.1Å; R66-L69 PolarHBondContact O-N 3.29Å; R66-I70 WeakPolarHBondContact O-CG1 3.31Å; R66-I70 PolarHBondContact O-N 3.29Å; R66-I70 VanDerWaalsContact O-N 3.07Å
67	E	68.6	Low	66.8	Low	73 Å²	73	86 Å²	86	34%	0.341	43%	0.428	S	S	.	.	H	α-helix	trans	-69.4	-45.3	-178.8	-169.9	54.2	-146.3	0	0	110.5	G64 L69 I70 Q71	G64-E67 PolarHBondContact O-N 3.47Å; E67-L69 VanDerWaalsContact C-N 3.26Å; E67-L69 PolarHBondContact O-N 3.19Å; E67-I70 PolarHBondContact O-N 3.5Å; E67-Q71 WeakPolarHBondContact O-CG 3.17Å; E67-Q71 PolarHBondContact O-N 3.27Å; E67-Q71 PolarHBondContact OE1-NE2 3.47Å
68	A	71.1	Confident	67	Low	8 Å²	8	87.8 Å²	87.8	7%	0.066	44%	0.435	C	S	.	.	H	α-helix	trans	-52.7	-42.8	170.9	0	0	0	0	0	112.7	Y59 T62 G64 L72	Y59-A68 HydrophobicContact CD2-CB 4.1Å; Y59-A68 HydrophobicContact CE2-CB 4.27Å; T62-A68 HydrophobicContact CG2-CB 4.06Å; G64-A68 PolarHBondContact O-N 2.99Å; G64-A68 VanDerWaalsContact O-N 3.08Å; A68-L72 WeakPolarHBondContact O-CB 3.42Å; A68-L72 WeakPolarHBondContact O-CG 3.24Å; A68-L72 PolarHBondContact O-N 3.4Å
69	L	69.8	Low	67.6	Low	83 Å²	83	84.6 Å²	84.6	44%	0.435	41%	0.413	S	S	.	.	H	α-helix	trans	-69.7	-33.7	178.7	-177.9	61.7	0	0	0	113	P65 R66 E67 R73	P65-L69 PolarHBondContact O-N 3.49Å; R66-L69 PolarHBondContact O-N 3.29Å; E67-L69 VanDerWaalsContact C-N 3.26Å; E67-L69 PolarHBondContact O-N 3.19Å; L69-R73 WeakPolarHBondContact O-CB 3.26Å; L69-R73 WeakPolarHBondContact O-CD 3.4Å; L69-R73 WeakPolarHBondContact O-CG 3.36Å; L69-R73 PolarHBondContact O-N 3Å; L69-R73 VanDerWaalsContact O-N 3.14Å
70	I	72.4	Confident	68.2	Low	99 Å²	99	78.9 Å²	78.9	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-45.9	175.4	-69.8	163.6	0	0	0	110	R66 E67 R73 A74	R66-I70 WeakPolarHBondContact O-CG1 3.31Å; R66-I70 PolarHBondContact O-N 3.29Å; R66-I70 VanDerWaalsContact O-N 3.07Å; E67-I70 PolarHBondContact O-N 3.5Å; I70-R73 PolarHBondContact O-N 3.07Å; I70-A74 PolarHBondContact O-N 2.89Å
71	Q	72.1	Confident	69	Low	68 Å²	68	72.4 Å²	72.4	32%	0.318	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-42	179.4	-66	179.3	8	0	0	112.1	L57 E67 R73 A74 L75	L57-Q71 HydrophobicContact CD2-CB 4.39Å; E67-Q71 WeakPolarHBondContact O-CG 3.17Å; E67-Q71 PolarHBondContact O-N 3.27Å; E67-Q71 PolarHBondContact OE1-NE2 3.47Å; Q71-R73 VanDerWaalsContact C-N 3.34Å; Q71-R73 PolarHBondContact O-N 3.18Å; Q71-A74 PolarHBondContact O-N 3.06Å; Q71-L75 WeakPolarHBondContact O-CG 3.47Å; Q71-L75 PolarHBondContact O-N 3.41Å
72	L	74.5	Confident	69.7	Low	61 Å²	61	68.4 Å²	68.4	32%	0.319	35%	0.346	S	S	.	.	H	α-helix	trans	-56.9	-45.1	171	-76.6	167.9	0	0	0	111.9	F54 L57 A68 L75 C76	F54-L72 HydrophobicContact CD2-CD2 3.95Å; F54-L72 HydrophobicContact CE2-CD2 3.61Å; F54-L72 HydrophobicContact CZ-CD2 4.5Å; L57-L72 HydrophobicContact CD2-CD2 3.58Å; L57-L72 HydrophobicContact CD2-CG 3.59Å; A68-L72 WeakPolarHBondContact O-CB 3.42Å; A68-L72 WeakPolarHBondContact O-CG 3.24Å; A68-L72 PolarHBondContact O-N 3.4Å; L72-L75 PolarHBondContact O-N 2.96Å; L72-C76 WeakPolarHBondContact O-CB 3.4Å; L72-C76 PolarHBondContact O-N 3.49Å; L72-C76 PolarHBondContact O-SG 2.83Å; L72-C76 VanDerWaalsContact O-SG 3.34Å
73	R	74.3	Confident	70.6	Confident	116 Å²	116	73.6 Å²	73.6	44%	0.438	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-43.7	177.5	-76.7	170.4	175.8	-142.9	-4.3	112.2	L69 I70 Q71 C76 H77 L229	L69-R73 WeakPolarHBondContact O-CB 3.26Å; L69-R73 WeakPolarHBondContact O-CD 3.4Å; L69-R73 WeakPolarHBondContact O-CG 3.36Å; L69-R73 PolarHBondContact O-N 3Å; L69-R73 VanDerWaalsContact O-N 3.14Å; I70-R73 PolarHBondContact O-N 3.07Å; Q71-R73 VanDerWaalsContact C-N 3.34Å; Q71-R73 PolarHBondContact O-N 3.18Å; R73-C76 PolarHBondContact O-N 2.99Å; R73-H77 WeakPolarHBondContact O-CB 3.35Å; R73-H77 PolarHBondContact O-N 2.86Å; R73-L229 HydrophobicContact CG-CD2 4.09Å
74	A	74	Confident	71.4	Confident	44 Å²	44	71.3 Å²	71.3	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-46.1	178	0	0	0	0	0	111.7	I70 Q71 H77 Q78	I70-A74 PolarHBondContact O-N 2.89Å; Q71-A74 PolarHBondContact O-N 3.06Å; A74-H77 PolarHBondContact O-N 2.93Å; A74-Q78 WeakPolarHBondContact O-CB 3.25Å; A74-Q78 VanDerWaalsContact O-CG 3.28Å; A74-Q78 WeakPolarHBondContact O-CG 3.39Å; A74-Q78 PolarHBondContact O-N 2.84Å
75	L	75.6	Confident	71.5	Confident	20 Å²	20	72 Å²	72	11%	0.105	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-42.3	177.2	-69	171.8	0	0	0	112	F50 R53 F54 L57 Q71 L72 H77 Q78 W79	F50-L75 HydrophobicContact CD1-CD2 4.33Å; R53-L75 HydrophobicContact CB-CD1 4.43Å; R53-L75 HydrophobicContact CB-CD2 3.92Å; F54-L75 HydrophobicContact CB-CB 4.22Å; F54-L75 HydrophobicContact CD2-CB 4.25Å; L57-L75 HydrophobicContact CD1-CD1 4.28Å; L57-L75 HydrophobicContact CD2-CD1 4.5Å; Q71-L75 WeakPolarHBondContact O-CG 3.47Å; Q71-L75 PolarHBondContact O-N 3.41Å; L72-L75 PolarHBondContact O-N 2.96Å; L75-H77 VanDerWaalsContact C-N 3.32Å; L75-H77 PolarHBondContact O-N 2.92Å; L75-Q78 PolarHBondContact O-N 3.48Å; L75-W79 WeakPolarHBondContact O-CB 3.29Å; L75-W79 PolarHBondContact O-N 3.3Å
76	C	77.2	Confident	72.1	Confident	27 Å²	27	71 Å²	71	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-56.6	-43.4	171.4	-78.4	0	0	0	0	112.4	F54 L72 R73 L80	F54-C76 WeakPolarHBondContact CE2-SG 3.42Å; L72-C76 WeakPolarHBondContact O-CB 3.4Å; L72-C76 PolarHBondContact O-N 3.49Å; L72-C76 PolarHBondContact O-SG 2.83Å; L72-C76 VanDerWaalsContact O-SG 3.34Å; R73-C76 PolarHBondContact O-N 2.99Å; C76-L80 VanDerWaalsContact O-CB 3.29Å; C76-L80 WeakPolarHBondContact O-CB 3.49Å; C76-L80 WeakPolarHBondContact O-CG 3.27Å; C76-L80 PolarHBondContact O-N 3.15Å
77	H	72.8	Confident	72.3	Confident	86 Å²	86	69 Å²	69	40%	0.398	35%	0.349	S	S	.	.	H	α-helix	trans	-69.5	-37.5	-179.1	-152.4	-70.2	0	0	0	112.2	R73 A74 L75 R81 D83	R73-H77 WeakPolarHBondContact O-CB 3.35Å; R73-H77 PolarHBondContact O-N 2.86Å; A74-H77 PolarHBondContact O-N 2.93Å; L75-H77 VanDerWaalsContact C-N 3.32Å; L75-H77 PolarHBondContact O-N 2.92Å; H77-R81 WeakPolarHBondContact O-CA 3.43Å; H77-R81 PolarHBondContact O-N 3.22Å; H77-D83 IonicContact CE1-OD2 2.69Å; H77-D83 PolarHBondContact CE1-OD2 2.84Å; H77-D83 VanDerWaalsContact CE1-OD2 3.23Å; H77-D83 IonicContact ND1-OD2 2.72Å
78	Q	76	Confident	72.2	Confident	86 Å²	86	71.2 Å²	71.2	40%	0.402	36%	0.36	S	S	.	.	H	α-helix	trans	-73.1	-31.6	178.4	-70.5	169.2	-8	0	0	113	F50 A74 L75 R81	F50-Q78 HydrophobicContact CB-CB 4.11Å; F50-Q78 HydrophobicContact CD1-CB 3.65Å; F50-Q78 HydrophobicContact CD1-CG 4.37Å; F50-Q78 HydrophobicContact CD2-CB 3.97Å; F50-Q78 HydrophobicContact CE1-CB 4.03Å; F50-Q78 HydrophobicContact CE1-CG 4.34Å; F50-Q78 HydrophobicContact CE2-CB 4.34Å; F50-Q78 HydrophobicContact CG-CB 3.63Å; F50-Q78 HydrophobicContact CZ-CB 4.37Å; A74-Q78 WeakPolarHBondContact O-CB 3.25Å; A74-Q78 VanDerWaalsContact O-CG 3.28Å; A74-Q78 WeakPolarHBondContact O-CG 3.39Å; A74-Q78 PolarHBondContact O-N 2.84Å; L75-Q78 PolarHBondContact O-N 3.48Å; Q78-R81 WeakPolarHBondContact O-CG 3.26Å; Q78-R81 PolarHBondContact O-NE 2.78Å
79	W	78.7	Confident	71.9	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.015	38%	0.378	C	S	.	.	H	α-helix	trans	-79.5	-53.7	173.8	168.9	40.7	0	0	0	112.7	Q47 F50 R51 F54 L75 L93 L94 E97	Q47-W79 VanDerWaalsContact CG-O 3.27Å; Q47-W79 WeakPolarHBondContact CG-O 3.41Å; Q47-W79 PolarHBondContact NE2-O 3.06Å; F50-W79 HydrophobicContact CB-CB 4.02Å; R51-W79 HydrophobicContact CB-CD2 4.18Å; R51-W79 HydrophobicContact CB-CG 3.94Å; R51-W79 HydrophobicContact CG-CD2 4.06Å; R51-W79 HydrophobicContact CG-CG 4.34Å; R51-W79 HydrophobicContact CG-CZ2 4.03Å; F54-W79 HydrophobicContact CD1-CE3 4.34Å; F54-W79 HydrophobicContact CD1-CZ3 4.22Å; F54-W79 HydrophobicContact CE1-CZ3 4.29Å; L75-W79 WeakPolarHBondContact O-CB 3.29Å; L75-W79 PolarHBondContact O-N 3.3Å; W79-L93 HydrophobicContact CZ2-CB 4.4Å; W79-L94 HydrophobicContact CH2-CD2 3.97Å; W79-L94 HydrophobicContact CZ3-CD2 4.19Å; W79-E97 HydrophobicContact CH2-CB 3.66Å; W79-E97 HydrophobicContact CH2-CG 3.74Å; W79-E97 HydrophobicContact CZ2-CB 3.98Å; W79-E97 HydrophobicContact CZ2-CG 4.35Å
80	L	76.9	Confident	72.1	Confident	23 Å²	23	72.7 Å²	72.7	12%	0.12	36%	0.364	C	S	.	.	H	α-helix	trans	-81.2	-18.5	-173	-61.6	174.6	0	0	0	113.6	C76 N85 I90 L93 L94	C76-L80 VanDerWaalsContact O-CB 3.29Å; C76-L80 WeakPolarHBondContact O-CB 3.49Å; C76-L80 WeakPolarHBondContact O-CG 3.27Å; C76-L80 PolarHBondContact O-N 3.15Å; L80-N85 PolarHBondContact O-ND2 3.46Å; L80-I90 HydrophobicContact CD1-CG2 4.44Å; L80-L93 HydrophobicContact CD2-CB 4.08Å; L80-L94 HydrophobicContact CD1-CD2 4.19Å; L80-L94 HydrophobicContact CD2-CD2 4.24Å; L80-L94 HydrophobicContact CD2-CG 4.23Å
81	R	74.2	Confident	71.9	Confident	58 Å²	58	72.9 Å²	72.9	22%	0.219	37%	0.366	C	S	.	.			trans	42.7	62.9	175.4	-61.7	-178.9	171.6	-169.8	-5.7	113.3	H77 Q78 D83 L84 N85	H77-R81 WeakPolarHBondContact O-CA 3.43Å; H77-R81 PolarHBondContact O-N 3.22Å; Q78-R81 WeakPolarHBondContact O-CG 3.26Å; Q78-R81 PolarHBondContact O-NE 2.78Å; R81-D83 PolarHBondContact O-N 3.21Å; R81-L84 HydrophobicContact CB-CB 4.48Å; R81-L84 PolarHBondContact O-N 3.31Å; R81-N85 PolarHBondContact O-N 2.61Å
82	P	68	Low	71.9	Confident	62 Å²	62	74.5 Å²	74.5	40%	0.403	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.9	-172.5	29.1	-36.9	0	0	0	114.5	I90	P82-I90 HydrophobicContact CB-CD1 4.25Å
83	D	72.1	Confident	71.9	Confident	129 Å²	129	72.6 Å²	72.6	69%	0.69	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.3	174.4	-40.2	-81.7	0	0	0	113.3	H77 R81	H77-D83 IonicContact CE1-OD2 2.69Å; H77-D83 PolarHBondContact CE1-OD2 2.84Å; H77-D83 VanDerWaalsContact CE1-OD2 3.23Å; H77-D83 IonicContact ND1-OD2 2.72Å; R81-D83 PolarHBondContact O-N 3.21Å
84	L	67.5	Low	71.9	Confident	133 Å²	133	69.8 Å²	69.8	70%	0.696	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-34.8	-174.5	-62.8	179	0	0	0	113.3	R81	R81-L84 HydrophobicContact CB-CB 4.48Å; R81-L84 PolarHBondContact O-N 3.31Å
85	N	68.9	Low	71.9	Confident	35 Å²	35	71.8 Å²	71.8	19%	0.187	36%	0.364	C	S	.	.	S	Bend	trans	-91.9	140.7	-177.2	-67.2	-36.6	0	0	0	112	L80 R81 Q89 I90	L80-N85 PolarHBondContact O-ND2 3.46Å; R81-N85 PolarHBondContact O-N 2.61Å; N85-Q89 HydrophobicContact CB-CB 4.17Å; N85-I90 HydrophobicContact CB-CD1 4.3Å; N85-I90 HydrophobicContact CB-CG1 3.75Å
86	T	71.5	Confident	71.8	Confident	67 Å²	67	71 Å²	71	41%	0.411	36%	0.359	S	S	.	.			trans	-70.4	166.6	171.5	85.4	0	0	0	0	111.3	E88 Q89 I90	T86-E88 WeakPolarHBondContact CB-OE2 3.36Å; T86-E88 PolarHBondContact O-N 2.96Å; T86-E88 PolarHBondContact OG1-N 2.82Å; T86-E88 PolarHBondContact OG1-OE2 3.03Å; T86-Q89 PolarHBondContact O-N 3.2Å; T86-Q89 PolarHBondContact OG1-N 2.83Å; T86-I90 VanDerWaalsContact O-CG1 3.28Å; T86-I90 WeakPolarHBondContact O-CG1 3.11Å; T86-I90 PolarHBondContact O-N 3.01Å
87	K	63.3	Low	71.9	Confident	166 Å²	166	70.8 Å²	70.8	72%	0.722	36%	0.356	S	S	*	.	H	α-helix	trans	-62	-33.4	-179.9	-70.7	171.2	-176.5	166.7	0	112.1	L91	K87-L91 VanDerWaalsContact O-CG 3.24Å; K87-L91 WeakPolarHBondContact O-CG 3.35Å; K87-L91 PolarHBondContact O-N 3.44Å
88	E	64.6	Low	71.9	Confident	120 Å²	120	69 Å²	69	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-68	-49	177.5	-56.8	67.5	-146	0	0	109.5	T86 I90 L91 E92	T86-E88 WeakPolarHBondContact CB-OE2 3.36Å; T86-E88 PolarHBondContact O-N 2.96Å; T86-E88 PolarHBondContact OG1-N 2.82Å; T86-E88 PolarHBondContact OG1-OE2 3.03Å; E88-I90 PolarHBondContact O-N 3.26Å; E88-L91 WeakPolarHBondContact O-CB 3.16Å; E88-L91 PolarHBondContact O-N 3.45Å; E88-L91 VanDerWaalsContact O-N 3.1Å; E88-E92 PolarHBondContact O-N 3.31Å
89	Q	65.3	Low	71.5	Confident	96 Å²	96	68.3 Å²	68.3	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-39.1	175.6	-66.9	171.3	-37.3	0	0	112.9	N85 T86 L91 E92 L93	N85-Q89 HydrophobicContact CB-CB 4.17Å; T86-Q89 PolarHBondContact O-N 3.2Å; T86-Q89 PolarHBondContact OG1-N 2.83Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.48Å; Q89-E92 PolarHBondContact O-N 2.82Å; Q89-L93 WeakPolarHBondContact O-CG 3.02Å; Q89-L93 PolarHBondContact O-N 2.99Å
90	I	75.1	Confident	71	Confident	26 Å²	26	68.5 Å²	68.5	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-64.6	-36.8	174.5	-66.1	163.8	0	0	0	111.1	L80 P82 N85 T86 E88 L94	L80-I90 HydrophobicContact CD1-CG2 4.44Å; P82-I90 HydrophobicContact CB-CD1 4.25Å; N85-I90 HydrophobicContact CB-CD1 4.3Å; N85-I90 HydrophobicContact CB-CG1 3.75Å; T86-I90 VanDerWaalsContact O-CG1 3.28Å; T86-I90 WeakPolarHBondContact O-CG1 3.11Å; T86-I90 PolarHBondContact O-N 3.01Å; E88-I90 PolarHBondContact O-N 3.26Å; I90-L94 HydrophobicContact CG2-CD1 4.15Å; I90-L94 WeakPolarHBondContact O-CD1 3.41Å; I90-L94 VanDerWaalsContact O-CG 3.28Å; I90-L94 WeakPolarHBondContact O-CG 3.3Å; I90-L94 PolarHBondContact O-N 3.07Å
91	L	68.1	Low	70.5	Confident	104 Å²	104	71.2 Å²	71.2	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-43.4	174.7	-74.4	167.5	0	0	0	111.5	K87 E88 Q89 L93 L94 V95	K87-L91 VanDerWaalsContact O-CG 3.24Å; K87-L91 WeakPolarHBondContact O-CG 3.35Å; K87-L91 PolarHBondContact O-N 3.44Å; E88-L91 WeakPolarHBondContact O-CB 3.16Å; E88-L91 PolarHBondContact O-N 3.45Å; E88-L91 VanDerWaalsContact O-N 3.1Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.48Å; L91-L93 PolarHBondContact O-N 3.12Å; L91-L94 PolarHBondContact O-N 2.9Å; L91-L94 VanDerWaalsContact O-N 3.15Å; L91-V95 WeakPolarHBondContact O-CB 3.48Å; L91-V95 WeakPolarHBondContact O-CG2 3.41Å; L91-V95 PolarHBondContact O-N 3.47Å
92	E	70.9	Confident	70.3	Confident	102 Å²	102	74 Å²	74	48%	0.477	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-40.4	176	-65.8	-50.9	142.9	0	0	112.3	E88 Q89 L94 V95 L96	E88-E92 PolarHBondContact O-N 3.31Å; Q89-E92 PolarHBondContact O-N 2.82Å; E92-L94 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 3.4Å; E92-V95 PolarHBondContact O-N 2.89Å; E92-L96 VanDerWaalsContact O-CB 3.29Å; E92-L96 WeakPolarHBondContact O-CB 3.42Å; E92-L96 PolarHBondContact O-N 3.49Å
93	L	74.4	Confident	70.3	Confident	21 Å²	21	72.2 Å²	72.2	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-36.9	174	-71.9	168	0	0	0	112.7	W79 L80 Q89 L91 E97	W79-L93 HydrophobicContact CZ2-CB 4.4Å; L80-L93 HydrophobicContact CD2-CB 4.08Å; Q89-L93 WeakPolarHBondContact O-CG 3.02Å; Q89-L93 PolarHBondContact O-N 2.99Å; L91-L93 PolarHBondContact O-N 3.12Å; L93-E97 WeakPolarHBondContact O-CB 3.48Å; L93-E97 PolarHBondContact O-N 3.48Å
94	L	74.9	Confident	70.1	Confident	57 Å²	57	69.4 Å²	69.4	30%	0.298	36%	0.357	S	S	.	.	H	α-helix	trans	-74.9	-36.1	176	-70.9	168.5	0	0	0	112.6	W79 L80 I90 L91 E92 E97 Q98	W79-L94 HydrophobicContact CH2-CD2 3.97Å; W79-L94 HydrophobicContact CZ3-CD2 4.19Å; L80-L94 HydrophobicContact CD1-CD2 4.19Å; L80-L94 HydrophobicContact CD2-CD2 4.24Å; L80-L94 HydrophobicContact CD2-CG 4.23Å; I90-L94 HydrophobicContact CG2-CD1 4.15Å; I90-L94 WeakPolarHBondContact O-CD1 3.41Å; I90-L94 VanDerWaalsContact O-CG 3.28Å; I90-L94 WeakPolarHBondContact O-CG 3.3Å; I90-L94 PolarHBondContact O-N 3.07Å; L91-L94 PolarHBondContact O-N 2.9Å; L91-L94 VanDerWaalsContact O-N 3.15Å; E92-L94 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 3.4Å; L94-E97 PolarHBondContact O-N 2.78Å; L94-Q98 PolarHBondContact O-N 3.07Å
95	V	73.7	Confident	69.6	Low	85 Å²	85	70.3 Å²	70.3	52%	0.515	36%	0.357	S	S	.	.	H	α-helix	trans	-66.7	-46	173.9	167.4	0	0	0	0	110.3	L91 E92 E97 Q98 F99	L91-V95 WeakPolarHBondContact O-CB 3.48Å; L91-V95 WeakPolarHBondContact O-CG2 3.41Å; L91-V95 PolarHBondContact O-N 3.47Å; E92-V95 PolarHBondContact O-N 2.89Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 3.07Å; V95-Q98 PolarHBondContact O-N 3.17Å; V95-F99 WeakPolarHBondContact O-CB 3.49Å; V95-F99 PolarHBondContact O-N 3.32Å
96	L	74.4	Confident	69.2	Low	3 Å²	3	75.5 Å²	75.5	2%	0.016	38%	0.38	C	S	.	.	H	α-helix	trans	-60.2	-41.8	173.8	177.8	67.8	0	0	0	110.9	R51 E92 Q98 F99 L100 E117 V122	R51-L96 VanDerWaalsContact NH2-CG 3.33Å; E92-L96 VanDerWaalsContact O-CB 3.29Å; E92-L96 WeakPolarHBondContact O-CB 3.42Å; E92-L96 PolarHBondContact O-N 3.49Å; L96-Q98 PolarHBondContact O-N 3.46Å; L96-F99 PolarHBondContact O-N 2.97Å; L96-L100 HydrophobicContact CD1-CD2 4.36Å; L96-L100 HydrophobicContact CD1-CG 4.21Å; L96-L100 HydrophobicContact CG-CG 4.48Å; L96-L100 WeakPolarHBondContact O-CG 3.23Å; L96-L100 PolarHBondContact O-N 3.49Å; L96-E117 WeakPolarHBondContact CD2-O 3.44Å; L96-V122 HydrophobicContact CD1-CB 4.03Å; L96-V122 HydrophobicContact CD1-CG2 3.59Å
97	E	77.7	Confident	68.7	Low	24 Å²	24	74.5 Å²	74.5	11%	0.112	37%	0.372	C	S	.	.	H	α-helix	trans	-57.6	-48	174.1	-177.1	57.7	-154.9	0	0	112.4	R51 R55 W79 L93 L94 V95 L100 T101	R51-E97 IonicContact CZ-OE2 2.76Å; R51-E97 IonicContact NE-OE2 3.31Å; R51-E97 PolarHBondContact NE-OE2 3.19Å; R51-E97 IonicContact NH2-OE2 3.66Å; R51-E97 PolarHBondContact NH2-OE2 3.2Å; R55-E97 IonicContact CZ-OE1 3.34Å; R55-E97 VanDerWaalsContact CZ-OE1 3.31Å; R55-E97 IonicContact CZ-OE2 3.92Å; R55-E97 IonicContact NE-OE1 3.93Å; R55-E97 PolarHBondContact NE-OE1 3.41Å; R55-E97 IonicContact NE-OE2 3.49Å; R55-E97 PolarHBondContact NE-OE2 3.15Å; R55-E97 IonicContact NH2-OE1 3.12Å; R55-E97 PolarHBondContact NH2-OE1 3.3Å; R55-E97 IonicContact NH2-OE2 3.6Å; R55-E97 PolarHBondContact NH2-OE2 3.3Å; W79-E97 HydrophobicContact CH2-CB 3.66Å; W79-E97 HydrophobicContact CH2-CG 3.74Å; W79-E97 HydrophobicContact CZ2-CB 3.98Å; W79-E97 HydrophobicContact CZ2-CG 4.35Å; L93-E97 WeakPolarHBondContact O-CB 3.48Å; L93-E97 PolarHBondContact O-N 3.48Å; L94-E97 PolarHBondContact O-N 2.78Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 3.07Å; E97-L100 PolarHBondContact O-N 3.31Å; E97-T101 PolarHBondContact O-N 3.4Å
98	Q	72.9	Confident	68.6	Low	48 Å²	48	68.8 Å²	68.8	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-39.9	177	-177	57.4	71.6	0	0	112.1	L94 V95 L96 T101 I102 L219	L94-Q98 PolarHBondContact O-N 3.07Å; V95-Q98 PolarHBondContact O-N 3.17Å; L96-Q98 PolarHBondContact O-N 3.46Å; Q98-T101 PolarHBondContact NE2-OG1 3.01Å; Q98-T101 PolarHBondContact O-N 2.95Å; Q98-T101 PolarHBondContact O-OG1 3.39Å; Q98-I102 HydrophobicContact CG-CD1 4.27Å; Q98-I102 WeakPolarHBondContact O-CG1 3.47Å; Q98-L219 HydrophobicContact CG-CD1 3.7Å; Q98-L219 VanDerWaalsContact OE1-CD1 3.29Å
99	F	68.3	Low	68.5	Low	71 Å²	71	66.5 Å²	66.5	31%	0.311	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-45.7	177.8	-175	-117.1	0	0	0	111.8	V95 L96 T101 I102 L103 V122 V123 L126	V95-F99 WeakPolarHBondContact O-CB 3.49Å; V95-F99 PolarHBondContact O-N 3.32Å; L96-F99 PolarHBondContact O-N 2.97Å; F99-T101 PolarHBondContact O-N 2.87Å; F99-I102 PolarHBondContact O-N 3.33Å; F99-L103 HydrophobicContact CD1-CD1 4.28Å; F99-L103 HydrophobicContact CE1-CD1 4.08Å; F99-L103 HydrophobicContact CZ-CD2 4.44Å; F99-L103 PolarHBondContact O-N 2.95Å; F99-V122 HydrophobicContact CD1-CG1 4.21Å; F99-V122 HydrophobicContact CE1-CG1 3.84Å; F99-V123 HydrophobicContact CE1-CG2 4.18Å; F99-V123 HydrophobicContact CZ-CG2 4.21Å; F99-L126 HydrophobicContact CE1-CD1 3.92Å; F99-L126 HydrophobicContact CZ-CD1 3.98Å
100	L	67.8	Low	68.3	Low	8 Å²	8	64.1 Å²	64.1	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-23.6	177.2	-66.4	-170.5	0	0	0	113.8	L96 E97 I102 L103 Q108 V111 V122	L96-L100 HydrophobicContact CD1-CD2 4.36Å; L96-L100 HydrophobicContact CD1-CG 4.21Å; L96-L100 HydrophobicContact CG-CG 4.48Å; L96-L100 WeakPolarHBondContact O-CG 3.23Å; L96-L100 PolarHBondContact O-N 3.49Å; E97-L100 PolarHBondContact O-N 3.31Å; L100-I102 VanDerWaalsContact C-N 3.33Å; L100-L103 HydrophobicContact CD2-CD1 3.78Å; L100-Q108 WeakPolarHBondContact O-CG 3.19Å; L100-Q108 PolarHBondContact O-NE2 3.1Å; L100-V111 HydrophobicContact CD1-CG1 4.13Å; L100-V111 HydrophobicContact CD2-CB 4.41Å; L100-V111 HydrophobicContact CD2-CG1 3.91Å; L100-V111 HydrophobicContact CD2-CG2 4.25Å; L100-V122 HydrophobicContact CD2-CG1 3.98Å; L100-V122 HydrophobicContact CD2-CG2 4.46Å
101	T	67.8	Low	67.7	Low	81 Å²	81	63.6 Å²	63.6	50%	0.497	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.2	172.6	66.1	0	0	0	0	114.5	E97 Q98 F99	E97-T101 PolarHBondContact O-N 3.4Å; Q98-T101 PolarHBondContact NE2-OG1 3.01Å; Q98-T101 PolarHBondContact O-N 2.95Å; Q98-T101 PolarHBondContact O-OG1 3.39Å; F99-T101 PolarHBondContact O-N 2.87Å
102	I	69.3	Low	67.4	Low	116 Å²	116	63.6 Å²	63.6	60%	0.595	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-23.1	-179.9	-63.7	165.3	0	0	0	111.1	Q98 F99 L100	Q98-I102 HydrophobicContact CG-CD1 4.27Å; Q98-I102 WeakPolarHBondContact O-CG1 3.47Å; F99-I102 PolarHBondContact O-N 3.33Å; L100-I102 VanDerWaalsContact C-N 3.33Å
103	L	67.5	Low	66.9	Low	24 Å²	24	65.4 Å²	65.4	13%	0.126	33%	0.334	C	S	.	.	S	Bend	trans	-68	143.4	177.4	-73.3	170.5	0	0	0	112.7	F99 L100 L107 Q108 V122 L126	F99-L103 HydrophobicContact CD1-CD1 4.28Å; F99-L103 HydrophobicContact CE1-CD1 4.08Å; F99-L103 HydrophobicContact CZ-CD2 4.44Å; F99-L103 PolarHBondContact O-N 2.95Å; L100-L103 HydrophobicContact CD2-CD1 3.78Å; L103-L107 HydrophobicContact CB-CB 4.44Å; L103-L107 HydrophobicContact CD2-CD1 4.26Å; L103-Q108 HydrophobicContact CB-CG 4.13Å; L103-Q108 PolarHBondContact O-NE2 3.14Å; L103-V122 HydrophobicContact CD1-CG1 4.31Å; L103-L126 HydrophobicContact CD1-CD1 4.04Å; L103-L126 HydrophobicContact CD2-CD1 3.8Å
104	P	67.9	Low	66.2	Low	71 Å²	71	68.9 Å²	68.9	46%	0.461	35%	0.35	S	S	.	.			trans	-51.5	150.8	167.3	-27.4	34.3	0	0	0	113.7	E106 L107 Q108	P104-E106 VanDerWaalsContact CB-OE2 3.27Å; P104-E106 WeakPolarHBondContact CB-OE2 3.36Å; P104-E106 PolarHBondContact O-N 2.9Å; P104-L107 HydrophobicContact CG-CD1 4.4Å; P104-L107 PolarHBondContact O-N 3.17Å; P104-Q108 PolarHBondContact O-N 3.27Å
105	E	56.4	Low	65.3	Low	151 Å²	151	73.2 Å²	73.2	71%	0.706	37%	0.369	S	S	*	.	H	α-helix	trans	-61.4	-31	-173.6	-63.6	-169.3	161.9	0	0	112.9	T109	E105-T109 WeakPolarHBondContact O-CB 3.49Å; E105-T109 PolarHBondContact O-N 3.15Å; E105-T109 PolarHBondContact O-OG1 3.23Å
106	E	60.9	Low	64.6	Low	144 Å²	144	70.4 Å²	70.4	67%	0.673	35%	0.351	S	S	*	.	H	α-helix	trans	-62.7	-45.5	175.1	-56.6	83.8	172.9	0	0	111.3	P104 T109 L110	P104-E106 VanDerWaalsContact CB-OE2 3.27Å; P104-E106 WeakPolarHBondContact CB-OE2 3.36Å; P104-E106 PolarHBondContact O-N 2.9Å; E106-T109 WeakPolarHBondContact O-CB 3.48Å; E106-T109 PolarHBondContact O-N 3.31Å; E106-L110 PolarHBondContact O-N 3.34Å; E106-L110 VanDerWaalsContact O-N 3.11Å
107	L	61.6	Low	63.7	Low	46 Å²	46	73.1 Å²	73.1	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-75.6	-36	179.6	-64.5	176.8	0	0	0	111.5	L103 P104 T109 L110 V111 L126 L129	L103-L107 HydrophobicContact CB-CB 4.44Å; L103-L107 HydrophobicContact CD2-CD1 4.26Å; P104-L107 HydrophobicContact CG-CD1 4.4Å; P104-L107 PolarHBondContact O-N 3.17Å; L107-T109 PolarHBondContact O-N 2.76Å; L107-L110 PolarHBondContact O-N 3.16Å; L107-V111 WeakPolarHBondContact O-CG2 3.44Å; L107-V111 PolarHBondContact O-N 3.16Å; L107-L126 HydrophobicContact CB-CD2 4.3Å; L107-L126 HydrophobicContact CD1-CD2 3.88Å; L107-L126 HydrophobicContact CD2-CD2 3.86Å; L107-L126 HydrophobicContact CG-CD2 4.23Å; L107-L129 HydrophobicContact CD2-CD2 3.78Å
108	Q	62.1	Low	62.9	Low	47 Å²	47	74.6 Å²	74.6	22%	0.22	37%	0.372	C	S	.	.	H	α-helix	trans	-59.5	-33	168.7	-68.2	-175.7	31.3	0	0	112.4	L100 L103 P104 K112	L100-Q108 WeakPolarHBondContact O-CG 3.19Å; L100-Q108 PolarHBondContact O-NE2 3.1Å; L103-Q108 HydrophobicContact CB-CG 4.13Å; L103-Q108 PolarHBondContact O-NE2 3.14Å; P104-Q108 PolarHBondContact O-N 3.27Å; Q108-K112 WeakPolarHBondContact O-CD 3.25Å; Q108-K112 VanDerWaalsContact O-CE 3.3Å; Q108-K112 WeakPolarHBondContact O-CE 3.46Å; Q108-K112 WeakPolarHBondContact O-CG 3.22Å; Q108-K112 PolarHBondContact O-N 3.45Å
109	T	62.2	Low	62.2	Low	71 Å²	71	73 Å²	73	44%	0.436	37%	0.369	S	S	.	.	H	α-helix	trans	-71.6	-44.9	177.8	-56.9	0	0	0	0	110.5	E105 E106 L107 V111 K112 E113	E105-T109 WeakPolarHBondContact O-CB 3.49Å; E105-T109 PolarHBondContact O-N 3.15Å; E105-T109 PolarHBondContact O-OG1 3.23Å; E106-T109 WeakPolarHBondContact O-CB 3.48Å; E106-T109 PolarHBondContact O-N 3.31Å; L107-T109 PolarHBondContact O-N 2.76Å; T109-V111 VanDerWaalsContact C-N 3.33Å; T109-V111 PolarHBondContact O-N 3.07Å; T109-K112 WeakPolarHBondContact O-CB 3.35Å; T109-K112 PolarHBondContact O-N 3.19Å; T109-K112 VanDerWaalsContact O-N 3.13Å; T109-E113 PolarHBondContact O-N 3.24Å
110	L	60.4	Low	61.9	Low	47 Å²	47	76.5 Å²	76.5	25%	0.246	39%	0.386	C	S	.	.	H	α-helix	trans	-57.1	-43.1	174.9	-168	72.6	0	0	0	112.4	E106 L107 E113 H114 L129	E106-L110 PolarHBondContact O-N 3.34Å; E106-L110 VanDerWaalsContact O-N 3.11Å; L107-L110 PolarHBondContact O-N 3.16Å; L110-E113 PolarHBondContact O-N 3.14Å; L110-H114 PolarHBondContact O-N 3.04Å; L110-H114 PolarHBondContact O-ND1 3.21Å; L110-L129 HydrophobicContact CD2-CD1 4.25Å; L110-L129 HydrophobicContact CD2-CD2 4.05Å
111	V	62.1	Low	61.7	Low	15 Å²	15	80.2 Å²	80.2	9%	0.091	40%	0.403	C	S	.	.	H	α-helix	trans	-65.2	-38.6	176.9	174.1	0	0	0	0	112.1	L100 L107 T109 E113 H114 Q115 L116 V122	L100-V111 HydrophobicContact CD1-CG1 4.13Å; L100-V111 HydrophobicContact CD2-CB 4.41Å; L100-V111 HydrophobicContact CD2-CG1 3.91Å; L100-V111 HydrophobicContact CD2-CG2 4.25Å; L107-V111 WeakPolarHBondContact O-CG2 3.44Å; L107-V111 PolarHBondContact O-N 3.16Å; T109-V111 VanDerWaalsContact C-N 3.33Å; T109-V111 PolarHBondContact O-N 3.07Å; V111-E113 VanDerWaalsContact C-N 3.3Å; V111-E113 PolarHBondContact O-N 3.28Å; V111-H114 PolarHBondContact O-N 3.28Å; V111-Q115 PolarHBondContact O-N 2.83Å; V111-Q115 VanDerWaalsContact O-N 3.15Å; V111-L116 HydrophobicContact CG1-CB 4.44Å; V111-L116 HydrophobicContact CG1-CD1 4.43Å; V111-L116 HydrophobicContact CG2-CD1 4.47Å; V111-V122 HydrophobicContact CG1-CG2 4.12Å; V111-V122 HydrophobicContact CG2-CG1 3.82Å
112	K	63.1	Low	61.6	Low	104 Å²	104	76.4 Å²	76.4	45%	0.452	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-33.6	175.9	-70	158.3	-161.7	160.9	0	112	Q108 T109	Q108-K112 WeakPolarHBondContact O-CD 3.25Å; Q108-K112 VanDerWaalsContact O-CE 3.3Å; Q108-K112 WeakPolarHBondContact O-CE 3.46Å; Q108-K112 WeakPolarHBondContact O-CG 3.22Å; Q108-K112 PolarHBondContact O-N 3.45Å; T109-K112 WeakPolarHBondContact O-CB 3.35Å; T109-K112 PolarHBondContact O-N 3.19Å; T109-K112 VanDerWaalsContact O-N 3.13Å
113	E	60	Low	61.5	Low	139 Å²	139	73.5 Å²	73.5	65%	0.65	37%	0.367	S	S	*	.	H	α-helix	trans	-70.9	-31.5	175.1	-69.8	-179.9	159.2	0	0	112.8	T109 L110 V111	T109-E113 PolarHBondContact O-N 3.24Å; L110-E113 PolarHBondContact O-N 3.14Å; V111-E113 VanDerWaalsContact C-N 3.3Å; V111-E113 PolarHBondContact O-N 3.28Å
114	H	59.7	Low	61.7	Low	95 Å²	95	76.1 Å²	76.1	44%	0.44	38%	0.384	S	S	.	.	H	α-helix	trans	-92.8	-6.9	-176.4	-70	75.6	0	0	0	114.9	L110 V111 L116 L125	L110-H114 PolarHBondContact O-N 3.04Å; L110-H114 PolarHBondContact O-ND1 3.21Å; V111-H114 PolarHBondContact O-N 3.28Å; H114-L116 VanDerWaalsContact C-N 3.3Å; H114-L116 HydrophobicContact CB-CD1 4.21Å; H114-L116 HydrophobicContact CB-CD2 3.88Å; H114-L116 HydrophobicContact CB-CG 3.79Å; H114-L116 PolarHBondContact O-N 2.96Å; H114-L125 HydrophobicContact CB-CD1 4.39Å
115	Q	55.3	Low	61.7	Low	148 Å²	148	75.4 Å²	75.4	69%	0.692	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	41.1	177.6	-65.9	177.5	90.2	0	0	114.2	V111	V111-Q115 PolarHBondContact O-N 2.83Å; V111-Q115 VanDerWaalsContact O-N 3.15Å
116	L	60	Low	62.1	Low	26 Å²	26	69.7 Å²	69.7	14%	0.136	35%	0.35	C	S	.	.			trans	-73.7	129.3	-175.6	-53.6	174.9	0	0	0	111.6	V111 H114 E121 V122 L125	V111-L116 HydrophobicContact CG1-CB 4.44Å; V111-L116 HydrophobicContact CG1-CD1 4.43Å; V111-L116 HydrophobicContact CG2-CD1 4.47Å; H114-L116 VanDerWaalsContact C-N 3.3Å; H114-L116 HydrophobicContact CB-CD1 4.21Å; H114-L116 HydrophobicContact CB-CD2 3.88Å; H114-L116 HydrophobicContact CB-CG 3.79Å; H114-L116 PolarHBondContact O-N 2.96Å; L116-E121 HydrophobicContact CB-CB 4.41Å; L116-E121 HydrophobicContact CD2-CB 4.38Å; L116-V122 HydrophobicContact CB-CG2 3.76Å; L116-V122 HydrophobicContact CD1-CB 4.47Å; L116-V122 HydrophobicContact CD1-CG2 3.87Å; L116-V122 HydrophobicContact CG-CG2 4.48Å; L116-L125 HydrophobicContact CD1-CB 4.35Å; L116-L125 HydrophobicContact CD1-CD1 3.69Å; L116-L125 HydrophobicContact CD2-CD1 4.04Å; L116-L125 HydrophobicContact CG-CD1 4.44Å
117	E	55.1	Low	62.6	Low	59 Å²	59	68.1 Å²	68.1	28%	0.276	34%	0.343	S	S	.	.			trans	-102.9	-22.6	-172.2	-62.3	-161.8	139.4	0	0	113.2	N43 L96 E121	N43-E117 WeakPolarHBondContact CB-OE2 3.45Å; N43-E117 PolarHBondContact ND2-OE2 3.41Å; L96-E117 WeakPolarHBondContact CD2-O 3.44Å; E117-E121 PolarHBondContact N-OE2 3.31Å; E117-E121 VanDerWaalsContact N-OE2 3.09Å
118	N	60.8	Low	62.9	Low	56 Å²	56	68.8 Å²	68.8	30%	0.299	35%	0.347	S	S	.	.	S	Bend	trans	-111.1	151.6	-177.6	-172.4	20.9	0	0	0	113.7	E120 E121 V122	N118-E120 PolarHBondContact ND2-OE2 2.84Å; N118-E120 PolarHBondContact O-N 3.4Å; N118-E121 HydrophobicContact CB-CB 4.44Å; N118-E121 HydrophobicContact CB-CG 3.96Å; N118-E121 PolarHBondContact N-OE2 2.88Å; N118-E121 PolarHBondContact O-N 3.15Å; N118-V122 PolarHBondContact O-N 3.36Å
119	G	58.8	Low	62.9	Low	15 Å²	15	69.2 Å²	69.2	16%	0.155	35%	0.35	C	S	.	.	H	α-helix	trans	-58.2	-44.5	175	0	0	0	0	0	113.4	E121 V122 V123	G119-E121 VanDerWaalsContact C-N 3.33Å; G119-E121 PolarHBondContact O-N 2.88Å; G119-V122 PolarHBondContact O-N 3.11Å; G119-V123 WeakPolarHBondContact O-CG2 3.39Å; G119-V123 PolarHBondContact O-N 2.94Å
120	E	61.3	Low	62.6	Low	144 Å²	144	72 Å²	72	67%	0.673	36%	0.358	S	S	*	.	H	α-helix	trans	-67.6	-30.9	-178.8	-59.4	175.2	132.7	0	0	112.6	N118 T124	N118-E120 PolarHBondContact ND2-OE2 2.84Å; N118-E120 PolarHBondContact O-N 3.4Å; E120-T124 WeakPolarHBondContact O-CB 3.14Å; E120-T124 WeakPolarHBondContact O-CG2 3.37Å; E120-T124 PolarHBondContact O-N 3.14Å; E120-T124 PolarHBondContact O-OG1 2.83Å
121	E	64.3	Low	62.7	Low	86 Å²	86	75.7 Å²	75.7	40%	0.402	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-43.3	174.1	-66.6	169.2	167	0	0	111.2	L116 E117 N118 G119 T124 L125	L116-E121 HydrophobicContact CB-CB 4.41Å; L116-E121 HydrophobicContact CD2-CB 4.38Å; E117-E121 PolarHBondContact N-OE2 3.31Å; E117-E121 VanDerWaalsContact N-OE2 3.09Å; N118-E121 HydrophobicContact CB-CB 4.44Å; N118-E121 HydrophobicContact CB-CG 3.96Å; N118-E121 PolarHBondContact N-OE2 2.88Å; N118-E121 PolarHBondContact O-N 3.15Å; G119-E121 VanDerWaalsContact C-N 3.33Å; G119-E121 PolarHBondContact O-N 2.88Å; E121-T124 PolarHBondContact O-OG1 2.86Å; E121-L125 WeakPolarHBondContact O-CB 3.47Å; E121-L125 PolarHBondContact O-N 2.78Å
122	V	65.4	Low	62.3	Low	0 Å²	0	79.4 Å²	79.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-67.3	-42.6	177.3	-178.7	0	0	0	0	110.8	L96 F99 L100 L103 V111 L116 N118 G119 L126	L96-V122 HydrophobicContact CD1-CB 4.03Å; L96-V122 HydrophobicContact CD1-CG2 3.59Å; F99-V122 HydrophobicContact CD1-CG1 4.21Å; F99-V122 HydrophobicContact CE1-CG1 3.84Å; L100-V122 HydrophobicContact CD2-CG1 3.98Å; L100-V122 HydrophobicContact CD2-CG2 4.46Å; L103-V122 HydrophobicContact CD1-CG1 4.31Å; V111-V122 HydrophobicContact CG1-CG2 4.12Å; V111-V122 HydrophobicContact CG2-CG1 3.82Å; L116-V122 HydrophobicContact CB-CG2 3.76Å; L116-V122 HydrophobicContact CD1-CB 4.47Å; L116-V122 HydrophobicContact CD1-CG2 3.87Å; L116-V122 HydrophobicContact CG-CG2 4.48Å; N118-V122 PolarHBondContact O-N 3.36Å; G119-V122 PolarHBondContact O-N 3.11Å; V122-L126 HydrophobicContact CG1-CD1 4Å; V122-L126 VanDerWaalsContact O-CG 3.23Å; V122-L126 WeakPolarHBondContact O-CG 3.3Å; V122-L126 PolarHBondContact O-N 3.2Å; V122-L126 VanDerWaalsContact O-N 3.11Å
123	V	65.5	Low	61.9	Low	56 Å²	56	78.7 Å²	78.7	34%	0.339	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-49	176.6	171.6	0	0	0	0	111.1	F99 G119 L125 L126 E127	F99-V123 HydrophobicContact CE1-CG2 4.18Å; F99-V123 HydrophobicContact CZ-CG2 4.21Å; G119-V123 WeakPolarHBondContact O-CG2 3.39Å; G119-V123 PolarHBondContact O-N 2.94Å; V123-L125 PolarHBondContact O-N 3.37Å; V123-L126 PolarHBondContact O-N 3.26Å; V123-L126 VanDerWaalsContact O-N 3.16Å; V123-E127 HydrophobicContact CG1-CG 4.24Å; V123-E127 WeakPolarHBondContact O-CG 3.49Å; V123-E127 PolarHBondContact O-N 3.22Å
124	T	71.9	Confident	61.3	Low	79 Å²	79	78.3 Å²	78.3	49%	0.485	39%	0.388	S	S	.	.	H	α-helix	trans	-65.2	-35.9	-178.8	48.8	0	0	0	0	112.7	E120 E121 E127 D128	E120-T124 WeakPolarHBondContact O-CB 3.14Å; E120-T124 WeakPolarHBondContact O-CG2 3.37Å; E120-T124 PolarHBondContact O-N 3.14Å; E120-T124 PolarHBondContact O-OG1 2.83Å; E121-T124 PolarHBondContact O-OG1 2.86Å; T124-E127 PolarHBondContact O-N 3.48Å; T124-D128 WeakPolarHBondContact O-CB 3.5Å; T124-D128 PolarHBondContact O-N 3.42Å
125	L	68.1	Low	60.7	Low	55 Å²	55	79.8 Å²	79.8	29%	0.288	40%	0.398	S	S	.	.	H	α-helix	trans	-68.2	-33.2	174.5	-121.4	169.5	0	0	0	112.7	H114 L116 E121 V123 L129	H114-L125 HydrophobicContact CB-CD1 4.39Å; L116-L125 HydrophobicContact CD1-CB 4.35Å; L116-L125 HydrophobicContact CD1-CD1 3.69Å; L116-L125 HydrophobicContact CD2-CD1 4.04Å; L116-L125 HydrophobicContact CG-CD1 4.44Å; E121-L125 WeakPolarHBondContact O-CB 3.47Å; E121-L125 PolarHBondContact O-N 2.78Å; V123-L125 PolarHBondContact O-N 3.37Å; L125-L129 WeakPolarHBondContact O-CB 3.48Å; L125-L129 PolarHBondContact O-N 3.29Å; L125-L129 VanDerWaalsContact O-N 3.09Å
126	L	65.1	Low	60.2	Low	31 Å²	31	78.2 Å²	78.2	16%	0.162	39%	0.393	C	S	.	.	H	α-helix	trans	-70.2	-43.8	173	-70.3	170.3	0	0	0	112	F99 L103 L107 V122 V123 D128 L129 E130	F99-L126 HydrophobicContact CE1-CD1 3.92Å; F99-L126 HydrophobicContact CZ-CD1 3.98Å; L103-L126 HydrophobicContact CD1-CD1 4.04Å; L103-L126 HydrophobicContact CD2-CD1 3.8Å; L107-L126 HydrophobicContact CB-CD2 4.3Å; L107-L126 HydrophobicContact CD1-CD2 3.88Å; L107-L126 HydrophobicContact CD2-CD2 3.86Å; L107-L126 HydrophobicContact CG-CD2 4.23Å; V122-L126 HydrophobicContact CG1-CD1 4Å; V122-L126 VanDerWaalsContact O-CG 3.23Å; V122-L126 WeakPolarHBondContact O-CG 3.3Å; V122-L126 PolarHBondContact O-N 3.2Å; V122-L126 VanDerWaalsContact O-N 3.11Å; V123-L126 PolarHBondContact O-N 3.26Å; V123-L126 VanDerWaalsContact O-N 3.16Å; L126-D128 VanDerWaalsContact C-N 3.34Å; L126-D128 PolarHBondContact O-N 3.41Å; L126-L129 WeakPolarHBondContact O-CB 3.39Å; L126-L129 PolarHBondContact O-N 3.26Å; L126-E130 WeakPolarHBondContact O-CB 3.44Å; L126-E130 PolarHBondContact O-N 2.91Å
127	E	71.1	Confident	59.5	Low	111 Å²	111	80.2 Å²	80.2	52%	0.519	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-37.4	175.3	-71.3	179.7	162.4	0	0	112	V123 T124 L129 R131	V123-E127 HydrophobicContact CG1-CG 4.24Å; V123-E127 WeakPolarHBondContact O-CG 3.49Å; V123-E127 PolarHBondContact O-N 3.22Å; T124-E127 PolarHBondContact O-N 3.48Å; E127-L129 VanDerWaalsContact C-N 3.35Å; E127-R131 VanDerWaalsContact O-CB 3.26Å; E127-R131 WeakPolarHBondContact O-CB 3.45Å; E127-R131 PolarHBondContact O-N 3.28Å
128	D	68.9	Low	58.7	Low	61 Å²	61	87.1 Å²	87.1	33%	0.326	44%	0.444	S	S	.	.	H	α-helix	trans	-70.1	-31.9	174.5	-125.6	75.8	0	0	0	112.2	T124 L126 R131 Q132	T124-D128 WeakPolarHBondContact O-CB 3.5Å; T124-D128 PolarHBondContact O-N 3.42Å; L126-D128 VanDerWaalsContact C-N 3.34Å; L126-D128 PolarHBondContact O-N 3.41Å; D128-R131 IonicContact OD1-CZ 3.12Å; D128-R131 IonicContact OD1-NH1 2.69Å; D128-R131 PolarHBondContact OD1-NH1 2.64Å; D128-R131 IonicContact OD1-NH2 2.74Å; D128-R131 PolarHBondContact OD1-NH2 2.85Å; D128-R131 IonicContact OD2-CZ 3.79Å; D128-R131 IonicContact OD2-NH2 2.9Å; D128-R131 PolarHBondContact OD2-NH2 3.47Å; D128-Q132 WeakPolarHBondContact O-CB 3.45Å; D128-Q132 VanDerWaalsContact O-CG 3.23Å; D128-Q132 WeakPolarHBondContact O-CG 3.21Å; D128-Q132 PolarHBondContact O-N 2.24Å; D128-Q132 PolarHBondContact O-NE2 2.97Å
129	L	61.2	Low	57.5	Low	55 Å²	55	90 Å²	90	29%	0.288	47%	0.466	S	S	.	.	H	α-helix	trans	-70.2	-44.4	174	-156.3	80.8	0	0	0	111.4	L107 L110 L125 L126 E127 Q132 I133	L107-L129 HydrophobicContact CD2-CD2 3.78Å; L110-L129 HydrophobicContact CD2-CD1 4.25Å; L110-L129 HydrophobicContact CD2-CD2 4.05Å; L125-L129 WeakPolarHBondContact O-CB 3.48Å; L125-L129 PolarHBondContact O-N 3.29Å; L125-L129 VanDerWaalsContact O-N 3.09Å; L126-L129 WeakPolarHBondContact O-CB 3.39Å; L126-L129 PolarHBondContact O-N 3.26Å; E127-L129 VanDerWaalsContact C-N 3.35Å; L129-Q132 PolarHBondContact O-N 3.46Å; L129-I133 WeakPolarHBondContact O-CG1 3.35Å; L129-I133 PolarHBondContact O-N 3.29Å
130	E	57	Low	56.2	Low	130 Å²	130	94 Å²	94	61%	0.607	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-45.3	175.3	-171.4	166	-134.7	0	0	110.7	L126 Q132 I133 D134	L126-E130 WeakPolarHBondContact O-CB 3.44Å; L126-E130 PolarHBondContact O-N 2.91Å; E130-Q132 VanDerWaalsContact C-N 3.29Å; E130-Q132 PolarHBondContact O-N 3.02Å; E130-I133 WeakPolarHBondContact O-CB 3.26Å; E130-I133 PolarHBondContact O-N 3.04Å; E130-D134 PolarHBondContact O-N 2.97Å
131	R	61.7	Low	54.8	Low	124 Å²	124	92.4 Å²	92.4	47%	0.468	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-30.9	174.9	-161.3	-178.5	70.4	-113.4	-6.2	113	E127 D128 I135	E127-R131 VanDerWaalsContact O-CB 3.26Å; E127-R131 WeakPolarHBondContact O-CB 3.45Å; E127-R131 PolarHBondContact O-N 3.28Å; D128-R131 IonicContact OD1-CZ 3.12Å; D128-R131 IonicContact OD1-NH1 2.69Å; D128-R131 PolarHBondContact OD1-NH1 2.64Å; D128-R131 IonicContact OD1-NH2 2.74Å; D128-R131 PolarHBondContact OD1-NH2 2.85Å; D128-R131 IonicContact OD2-CZ 3.79Å; D128-R131 IonicContact OD2-NH2 2.9Å; D128-R131 PolarHBondContact OD2-NH2 3.47Å; R131-I135 HydrophobicContact CG-CD1 3.86Å; R131-I135 HydrophobicContact CG-CG1 4.4Å; R131-I135 WeakPolarHBondContact O-CB 3.4Å; R131-I135 WeakPolarHBondContact O-CG1 3.48Å; R131-I135 PolarHBondContact O-N 3.3Å
132	Q	54.2	Low	53.3	Low	94 Å²	94	91.7 Å²	91.7	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-70.9	-31.5	172.5	-80	173.2	64.4	0	0	113	D128 L129 E130	D128-Q132 WeakPolarHBondContact O-CB 3.45Å; D128-Q132 VanDerWaalsContact O-CG 3.23Å; D128-Q132 WeakPolarHBondContact O-CG 3.21Å; D128-Q132 PolarHBondContact O-N 2.24Å; D128-Q132 PolarHBondContact O-NE2 2.97Å; L129-Q132 PolarHBondContact O-N 3.46Å; E130-Q132 VanDerWaalsContact C-N 3.29Å; E130-Q132 PolarHBondContact O-N 3.02Å
133	I	54	Low	51.5	Low	89 Å²	89	103 Å²	103	46%	0.456	54%	0.544	S	S	.	.	H	α-helix	trans	-68.4	-47.3	173.2	-68.5	162.9	0	0	0	110.1	L129 E130 G137	L129-I133 WeakPolarHBondContact O-CG1 3.35Å; L129-I133 PolarHBondContact O-N 3.29Å; E130-I133 WeakPolarHBondContact O-CB 3.26Å; E130-I133 PolarHBondContact O-N 3.04Å; I133-G137 PolarHBondContact O-N 3.45Å
134	D	48.1	Very low	49.9	Very low	130 Å²	130	106.4 Å²	106.4	70%	0.695	56%	0.564	S	S	*	*	H	α-helix	trans	-62.7	-44.9	178.6	-92.3	-2.2	0	0	0	113.1	E130 L136	E130-D134 PolarHBondContact O-N 2.97Å; D134-L136 VanDerWaalsContact C-N 3.3Å; D134-L136 PolarHBondContact O-N 2.95Å
135	I	46.9	Very low	47.9	Very low	126 Å²	126	111.7 Å²	111.7	65%	0.646	58%	0.583	S	S	*	*	H	α-helix	trans	-66.8	-28.8	-176.2	-74.2	171.7	0	0	0	112.7	R131	R131-I135 HydrophobicContact CG-CD1 3.86Å; R131-I135 HydrophobicContact CG-CG1 4.4Å; R131-I135 WeakPolarHBondContact O-CB 3.4Å; R131-I135 WeakPolarHBondContact O-CG1 3.48Å; R131-I135 PolarHBondContact O-N 3.3Å
136	L	44.7	Very low	46.1	Very low	115 Å²	115	111.9 Å²	111.9	60%	0.602	60%	0.598	S	S	*	*	H	α-helix	trans	-98.8	-10.9	-174.1	-74.3	170.6	0	0	0	114.8	D134 R138 V140	D134-L136 VanDerWaalsContact C-N 3.3Å; D134-L136 PolarHBondContact O-N 2.95Å; L136-R138 PolarHBondContact O-N 3.02Å; L136-V140 HydrophobicContact CD1-CG2 4.27Å
137	G	45.1	Very low	44.4	Very low	69 Å²	69	120.1 Å²	120.1	71%	0.711	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.4	15.3	173.9	0	0	0	0	0	115.2	I133	I133-G137 PolarHBondContact O-N 3.45Å
138	R	37.6	Very low	42.1	Very low	204 Å²	204	125.5 Å²	125.5	77%	0.77	65%	0.651	S	S	*	*	S	Bend	trans	-155.9	146.4	176.2	-103.7	-169.8	170.2	-123.5	-3.4	109.7	L136 V140	L136-R138 PolarHBondContact O-N 3.02Å; R138-V140 PolarHBondContact O-N 3.28Å
139	P	36.7	Very low	40.2	Very low	116 Å²	116	127.6 Å²	127.6	75%	0.753	67%	0.666	S	S	*	*			trans	-63.8	128.7	176.9	26.9	-34.1	0	0	0	110.5	S141	P139-S141 PolarHBondContact O-N 3.3Å
140	V	30.6	Very low	38.4	Very low	100 Å²	100	131.2 Å²	131.2	61%	0.606	69%	0.685	S	S	*	*			trans	-61	120.6	169	176.7	0	0	0	0	107.9	L136 R138 A142	L136-V140 HydrophobicContact CD1-CG2 4.27Å; R138-V140 PolarHBondContact O-N 3.28Å; V140-A142 VanDerWaalsContact C-N 3.34Å; V140-A142 PolarHBondContact O-N 3.04Å
141	S	32.5	Very low	36.7	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	70%	0.698	S	S	*	*			trans	-74.5	88.8	178.6	-172	0	0	0	0	110.2	P139 R143	P139-S141 PolarHBondContact O-N 3.3Å; S141-R143 PolarHBondContact O-N 3.11Å
142	A	32.5	Very low	34.9	Very low	72 Å²	72	138.6 Å²	138.6	60%	0.595	72%	0.715	S	S	*	*			trans	-47.4	130.5	152.9	0	0	0	0	0	108.2	V140 V144	V140-A142 VanDerWaalsContact C-N 3.34Å; V140-A142 PolarHBondContact O-N 3.04Å; A142-V144 PolarHBondContact O-N 2.77Å
143	R	28.9	Very low	33.6	Very low	238 Å²	238	142.6 Å²	142.6	90%	0.898	73%	0.733	S	S	*	*			trans	-83.4	45.2	-165	-154.4	-179.8	-172.9	179.3	2.9	113.2	S141	S141-R143 PolarHBondContact O-N 3.11Å
144	V	31.8	Very low	32.2	Very low	126 Å²	126	145.1 Å²	145.1	76%	0.764	75%	0.753	S	S	*	*			trans	-71.9	138.5	174.7	-177.3	0	0	0	0	109.4	A142 G146	A142-V144 PolarHBondContact O-N 2.77Å; V144-G146 VanDerWaalsContact C-N 3.3Å; V144-G146 PolarHBondContact O-N 2.84Å
145	H	30.1	Very low	31.2	Very low	190 Å²	190	143.4 Å²	143.4	88%	0.88	75%	0.747	S	S	*	*	S	Bend	trans	-76.1	79.4	178.8	-82.7	68.3	0	0	0	112
146	G	29.3	Very low	30.2	Very low	60 Å²	60	145.6 Å²	145.6	62%	0.619	75%	0.754	S	S	*	*			trans	72.8	109.5	148.7	0	0	0	0	0	118.6	V144	V144-G146 VanDerWaalsContact C-N 3.3Å; V144-G146 PolarHBondContact O-N 2.84Å
147	H	29	Very low	29.3	Very low	203 Å²	203	144.6 Å²	144.6	94%	0.94	76%	0.756	S	S	*	*				-154.8	163.5	101.7	-119.7	-113	0	0	0	110.8
148	R	23.7	Very low	28.4	Very low	225 Å²	225	149.7 Å²	149.7	85%	0.849	76%	0.762	S	S	*	*			trans	-121.9	110.4	-162.2	-179.5	-178.3	168.3	-161.2	-5.6	114.4
149	V	27.5	Very low	27.8	Very low	104 Å²	104	145.8 Å²	145.8	63%	0.63	77%	0.766	S	S	*	*			trans	26.9	123.6	133.1	-172	0	0	0	0	119
150	L	23.8	Very low	27.3	Very low	131 Å²	131	144.6 Å²	144.6	69%	0.686	77%	0.766	S	S	*	*				-154.3	140.1	123.5	-147.3	72.5	0	0	0	112.7	E152	L150-E152 HydrophobicContact CD2-CG 4Å; L150-E152 HydrophobicContact CG-CG 4.47Å
151	W	22.4	Very low	27.4	Very low	234 Å²	234	146.1 Å²	146.1	89%	0.886	78%	0.778	S	S	*	*			trans	-137.1	142.5	154.9	12	-78.9	0	0	0	106.7
152	E	23.1	Very low	27	Very low	176 Å²	176	149.3 Å²	149.3	82%	0.822	78%	0.781	S	S	*	*			trans	-110.7	147.7	-177.7	-71.2	-173.7	133.8	0	0	111.3	L150	L150-E152 HydrophobicContact CD2-CG 4Å; L150-E152 HydrophobicContact CG-CG 4.47Å
153	E	26.9	Very low	27.9	Very low	177 Å²	177	150.7 Å²	150.7	83%	0.827	78%	0.783	S	S	*	*			trans	-117.3	134.6	-173.6	-171.5	-179.9	-150.3	0	0	109.4	V155	E153-V155 HydrophobicContact CG-CG2 4.44Å
154	V	24.4	Very low	28.6	Very low	142 Å²	142	144.3 Å²	144.3	86%	0.861	77%	0.773	S	S	*	*			trans	-140.3	135.9	177	-177.5	0	0	0	0	109.8
155	V	27	Very low	28.4	Very low	95 Å²	95	144.7 Å²	144.7	58%	0.576	77%	0.771	S	S	*	*			trans	-138.1	159.4	-171.9	-171.2	0	0	0	0	109.6	E153	E153-V155 HydrophobicContact CG-CG2 4.44Å
156	H	26.7	Very low	28.1	Very low	171 Å²	171	140.4 Å²	140.4	79%	0.792	76%	0.758	S	S	*	*			trans	81.3	151.8	174.2	-44.4	96.6	0	0	0	116.1
157	S	25.9	Very low	27.9	Very low	94 Å²	94	145.8 Å²	145.8	66%	0.657	77%	0.767	S	S	*	*			cis	-168.1	156.4	-21.1	-98.4	0	0	0	0	112.6
158	E	26.1	Very low	27.7	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.822	75%	0.752	S	S	*	*			trans	59.1	127.8	147.6	-69.6	-172.7	114.8	0	0	125.5
159	S	25.7	Very low	27.7	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	75%	0.747	S	S	*	*			trans	87.1	159.2	135.9	77.9	0	0	0	0	121.6
160	A	26.4	Very low	27.5	Very low	91 Å²	91	137.3 Å²	137.3	75%	0.752	74%	0.742	S	S	*	*			trans	-131.8	171.8	-169.1	0	0	0	0	0	112.3
161	P	32.4	Very low	27.6	Very low	132 Å²	132	139.5 Å²	139.5	86%	0.857	75%	0.749	S	S	*	*				-146.8	168.2	111.7	38.4	-22.9	0	0	0	117.4
162	E	24.2	Very low	27.7	Very low	176 Å²	176	131.7 Å²	131.7	82%	0.822	73%	0.734	S	S	*	*			trans	-98.4	-170.7	174.8	-82	-104.5	125.2	0	0	111.3
163	P	49.5	Very low	27.7	Very low	100 Å²	100	129.1 Å²	129.1	65%	0.649	73%	0.73	S	S	*	*			cis	-128.7	-137	-48.3	38.5	-19.3	0	0	0	108.2
164	P	44.5	Very low	27.6	Very low	105 Å²	105	128 Å²	128	68%	0.682	73%	0.725	S	S	*	*			cis	-115.5	-141.9	-28	34.9	-12.6	0	0	0	110.3
165	N	26.9	Very low	27.6	Very low	134 Å²	134	128.5 Å²	128.5	72%	0.717	72%	0.718	S	S	*	*			cis	-158.4	130.9	7.4	-130.5	2.6	0	0	0	106
166	T	24.6	Very low	27.6	Very low	99 Å²	99	133 Å²	133	61%	0.607	73%	0.73	S	S	*	*				103.5	116.4	69.2	-78	0	0	0	0	113.7
167	Q	24.9	Very low	27.6	Very low	173 Å²	173	130 Å²	130	81%	0.808	73%	0.728	S	S	*	*			trans	66.5	166.4	158.6	-72.5	171.4	0.8	0	0	117.3
168	L	24.7	Very low	27.8	Very low	119 Å²	119	131.4 Å²	131.4	62%	0.623	74%	0.735	S	S	*	*			cis	-151.2	146.8	13.4	-161.2	68	0	0	0	111.1
169	Q	25.2	Very low	27.9	Very low	162 Å²	162	129.3 Å²	129.3	76%	0.757	73%	0.734	S	S	*	*			trans	40.3	162.1	145.8	-71.4	172.4	-22.4	0	0	122.9
170	S	23.2	Very low	28.3	Very low	73 Å²	73	128.8 Å²	128.8	51%	0.51	73%	0.727	S	S	.	*			cis	-165.6	165.1	-24.1	55.8	0	0	0	0	109.7
171	E	24.3	Very low	28.2	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	73%	0.734	S	S	*	*			trans	61.1	167.3	148.9	-71.6	158.6	125.7	0	0	119.7
172	A	24.3	Very low	27.9	Very low	70 Å²	70	131.3 Å²	131.3	58%	0.579	74%	0.735	S	S	*	*			cis	-167.1	146.9	-44.9	0	0	0	0	0	108.7
173	T	22.9	Very low	28	Very low	122 Å²	122	128.1 Å²	128.1	75%	0.748	73%	0.732	S	S	*	*			trans	63.6	155.1	159.3	59.1	0	0	0	0	117.3
174	Q	25.3	Very low	26.8	Very low	152 Å²	152	131.3 Å²	131.3	71%	0.71	74%	0.738	S	S	*	*			cis	-157.9	156.9	-9	-123.4	167.3	27.6	0	0	112.3
175	H	25.5	Very low	25.8	Very low	154 Å²	154	133.9 Å²	133.9	71%	0.713	74%	0.741	S	S	*	*			trans	72.9	144.6	142.8	-87.2	-53	0	0	0	124.1
176	K	26.5	Very low	25.7	Very low	190 Å²	190	138.3 Å²	138.3	83%	0.826	75%	0.748	S	S	*	*			trans	84.8	99.9	151.1	-74.3	165.4	-176.2	178	0	119.2
177	S	25.8	Very low	25.6	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	75%	0.753	S	S	*	*			trans	-52.7	160	142.6	-25.6	0	0	0	0	111.4
178	P	31.6	Very low	25.5	Very low	123 Å²	123	137.9 Å²	137.9	80%	0.799	76%	0.756	S	S	*	*				-135.5	166.5	76.7	38.6	-26.3	0	0	0	115.3
179	V	27.9	Very low	25.5	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	76%	0.764	S	S	*	*			trans	-88.4	144.4	170.9	-178.3	0	0	0	0	109
180	P	32.9	Very low	25.4	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	77%	0.766	S	S	*	*				-135.7	139.2	123.6	34.6	-23.2	0	0	0	114.3
181	Q	25.9	Very low	25.5	Very low	191 Å²	191	137.9 Å²	137.9	89%	0.893	78%	0.778	S	S	*	*			trans	8.2	124.6	151.7	-61.4	166.3	-58.6	0	0	119.1
182	G	25	Very low	25.5	Very low	85 Å²	85	138.1 Å²	138.1	88%	0.876	78%	0.779	S	S	*	*			trans	-146.8	126.2	165.2	0	0	0	0	0	111
183	S	25.9	Very low	25.5	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	79%	0.79	S	S	*	*			trans	-99.4	131.2	-167.8	51.8	0	0	0	0	114.2
184	Q	25.1	Very low	26	Very low	166 Å²	166	140.5 Å²	140.5	78%	0.776	79%	0.794	S	S	*	*			trans	69.2	147.3	132.4	-140.8	179.6	-42.5	0	0	120.4
185	E	23.9	Very low	25.9	Very low	160 Å²	160	139.5 Å²	139.5	75%	0.748	80%	0.799	S	S	*	*			trans	69.5	166.2	164.2	-50.4	-149.4	139.6	0	0	118.8
186	R	23.6	Very low	26.1	Very low	226 Å²	226	138.2 Å²	138.2	85%	0.853	80%	0.804	S	S	*	*			cis	-166.2	155.5	-48.5	-170.5	172.3	-172.1	-166.5	1.7	108.7
187	A	23.4	Very low	26	Very low	87 Å²	87	134.4 Å²	134.4	72%	0.719	80%	0.801	S	S	*	*			trans	69.4	135.2	176.7	0	0	0	0	0	114.9
188	M	23.5	Very low	26.2	Very low	177 Å²	177	138.6 Å²	138.6	87%	0.872	81%	0.809	S	S	*	*			cis	90.6	100.3	36.3	-70.9	-178.9	113.8	0	0	115.1
189	S	24.7	Very low	26.1	Very low	114 Å²	114	143 Å²	143	80%	0.797	82%	0.815	S	S	*	*			trans	-175.5	123.3	140.5	-74.8	0	0	0	0	107.2
190	T	22.7	Very low	26.1	Very low	129 Å²	129	140.4 Å²	140.4	79%	0.791	82%	0.815	S	S	*	*			cis	89.8	88.2	37.6	66.5	0	0	0	0	116.4
191	S	24.1	Very low	25.9	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	82%	0.815	S	S	*	*			trans	-160	104.7	149.9	43	0	0	0	0	108.6
192	Q	25.8	Very low	26.3	Very low	183 Å²	183	136 Å²	136	86%	0.855	81%	0.808	S	S	*	*				85.8	104.4	86.6	-80.2	-176.9	17	0	0	115.2
193	S	23.8	Very low	26.8	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	78%	0.782	S	S	*	*				54.4	151.1	127.3	-55.7	0	0	0	0	121.7
194	P	32.6	Very low	27.1	Very low	128 Å²	128	133.5 Å²	133.5	83%	0.831	77%	0.774	S	S	*	*			cis	-131.4	-175.8	22.7	41.2	-23.6	0	0	0	116.6
195	T	23.9	Very low	27.6	Very low	131 Å²	131	133.7 Å²	133.7	80%	0.804	78%	0.775	S	S	*	*			trans	-91.3	169.3	-179	54.3	0	0	0	0	113.2
196	P	30.6	Very low	28	Very low	126 Å²	126	133 Å²	133	82%	0.818	77%	0.771	S	S	*	*				-136.2	173	93.8	37.9	-26	0	0	0	115.6
197	S	24.1	Very low	28.3	Very low	111 Å²	111	128 Å²	128	78%	0.776	76%	0.76	S	S	*	*			trans	-66	160	-178.9	-47.2	0	0	0	0	113.6
198	Q	29.5	Very low	28.7	Very low	195 Å²	195	127.7 Å²	127.7	91%	0.911	75%	0.749	S	S	*	*				-156.6	179.4	61.7	-83.8	-174.2	-34.4	0	0	114.7
199	K	30.4	Very low	29.1	Very low	215 Å²	215	121.7 Å²	121.7	94%	0.935	73%	0.727	S	S	*	*			trans	-94.5	154.9	-178	-67.8	178.5	172.7	-177.9	0	113.3
200	G	26	Very low	29.6	Very low	78 Å²	78	120.5 Å²	120.5	80%	0.804	72%	0.715	S	S	*	*			trans	-134.3	154.6	156.5	0	0	0	0	0	110.2
201	S	30.4	Very low	30	Very low	102 Å²	102	120.5 Å²	120.5	71%	0.713	71%	0.71	S	S	*	*			trans	-87.1	151	-173.8	-168.2	0	0	0	0	113.6	G203	S201-G203 PolarHBondContact OG-N 2.84Å
202	S	33.2	Very low	30.3	Very low	109 Å²	109	120.2 Å²	120.2	76%	0.762	70%	0.699	S	S	*	*			trans	-147.8	23.9	167.8	-174.1	0	0	0	0	111.7
203	G	35.9	Very low	30.7	Very low	32 Å²	32	115.1 Å²	115.1	33%	0.33	68%	0.681	S	S	.	*			trans	-85.3	-34.2	-169.9	0	0	0	0	0	115.6	S201 E206 M207	S201-G203 PolarHBondContact OG-N 2.84Å; G203-E206 PolarHBondContact O-N 2.82Å; G203-M207 PolarHBondContact O-N 3.13Å
204	D	32.5	Very low	31.1	Very low	109 Å²	109	112.1 Å²	112.1	58%	0.583	66%	0.662	S	S	*	*	H	α-helix	trans	-85.5	-24.6	-155.7	-47.9	-67.7	0	0	0	113.5	T208	D204-T208 WeakPolarHBondContact O-CG2 3.33Å; D204-T208 PolarHBondContact O-N 2.68Å; D204-T208 PolarHBondContact O-OG1 3.18Å
205	Q	34.2	Very low	30.9	Very low	171 Å²	171	107.4 Å²	107.4	80%	0.799	64%	0.638	S	S	*	*	H	α-helix	trans	-77.5	-28.9	173	-66.3	-176.2	-2.1	0	0	112.8	T208 A209	Q205-T208 WeakPolarHBondContact CA-OG1 3.36Å; Q205-T208 PolarHBondContact O-OG1 3.3Å; Q205-A209 WeakPolarHBondContact O-CB 3.33Å; Q205-A209 PolarHBondContact O-N 2.91Å
206	E	32.4	Very low	31.2	Very low	144 Å²	144	107.7 Å²	107.7	67%	0.673	63%	0.628	S	S	*	*	H	α-helix	trans	-80.6	-38	-178.5	-166.4	168.7	-152.4	0	0	111.6	G203 T210	G203-E206 PolarHBondContact O-N 2.82Å; E206-T210 VanDerWaalsContact O-CB 3.3Å; E206-T210 WeakPolarHBondContact O-CB 3.14Å; E206-T210 PolarHBondContact O-N 3.44Å; E206-T210 PolarHBondContact O-OG1 3.27Å
207	M	30.2	Very low	31.3	Very low	123 Å²	123	106.7 Å²	106.7	61%	0.606	61%	0.612	S	S	*	*	H	α-helix	trans	-67.3	-41.7	174.2	-76.8	-159.8	-67.9	0	0	112.8	G203 T210 L211	G203-M207 PolarHBondContact O-N 3.13Å; M207-T210 PolarHBondContact O-N 3.18Å; M207-L211 WeakPolarHBondContact O-CB 3.3Å; M207-L211 WeakPolarHBondContact O-CG 3.39Å; M207-L211 PolarHBondContact O-N 2.93Å
208	T	31.4	Very low	31.7	Very low	80 Å²	80	104.6 Å²	104.6	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-65.8	-44.1	178	45.3	0	0	0	0	112.1	D204 Q205 T210 L211 L212	D204-T208 WeakPolarHBondContact O-CG2 3.33Å; D204-T208 PolarHBondContact O-N 2.68Å; D204-T208 PolarHBondContact O-OG1 3.18Å; Q205-T208 WeakPolarHBondContact CA-OG1 3.36Å; Q205-T208 PolarHBondContact O-OG1 3.3Å; T208-T210 VanDerWaalsContact C-N 3.31Å; T208-T210 PolarHBondContact O-N 2.9Å; T208-L211 PolarHBondContact O-N 2.93Å; T208-L212 WeakPolarHBondContact O-CG 3.22Å; T208-L212 PolarHBondContact O-N 3Å
209	A	33.5	Very low	31.9	Very low	51 Å²	51	98 Å²	98	42%	0.421	57%	0.566	S	S	.	*	H	α-helix	trans	-61.9	-37.5	173.4	0	0	0	0	0	112.8	Q205 T213	Q205-A209 WeakPolarHBondContact O-CB 3.33Å; Q205-A209 PolarHBondContact O-N 2.91Å; A209-T213 WeakPolarHBondContact O-CB 3.48Å; A209-T213 PolarHBondContact O-N 3.09Å; A209-T213 PolarHBondContact O-OG1 3Å
210	T	33.9	Very low	32	Very low	89 Å²	89	94.4 Å²	94.4	55%	0.546	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-43	177	-59.6	0	0	0	0	111.9	E206 M207 T208 T213 A214	E206-T210 VanDerWaalsContact O-CB 3.3Å; E206-T210 WeakPolarHBondContact O-CB 3.14Å; E206-T210 PolarHBondContact O-N 3.44Å; E206-T210 PolarHBondContact O-OG1 3.27Å; M207-T210 PolarHBondContact O-N 3.18Å; T208-T210 VanDerWaalsContact C-N 3.31Å; T208-T210 PolarHBondContact O-N 2.9Å; T210-T213 PolarHBondContact O-N 3.47Å; T210-A214 WeakPolarHBondContact O-CB 3.39Å; T210-A214 PolarHBondContact O-N 2.89Å
211	L	32.2	Very low	32.5	Very low	128 Å²	128	96.1 Å²	96.1	67%	0.67	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-46.8	176	-81.1	163.4	0	0	0	111.9	M207 T208 T213 A214 G215	M207-L211 WeakPolarHBondContact O-CB 3.3Å; M207-L211 WeakPolarHBondContact O-CG 3.39Å; M207-L211 PolarHBondContact O-N 2.93Å; T208-L211 PolarHBondContact O-N 2.93Å; L211-T213 VanDerWaalsContact C-N 3.34Å; L211-T213 PolarHBondContact O-N 2.98Å; L211-A214 WeakPolarHBondContact O-CB 3.42Å; L211-A214 PolarHBondContact O-N 3.24Å; L211-G215 PolarHBondContact O-N 3.1Å
212	L	30.8	Very low	32.7	Very low	104 Å²	104	95.3 Å²	95.3	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-58.9	-45.4	174.8	-73.4	166.7	0	0	0	111.5	T208 A214 G215 F216	T208-L212 WeakPolarHBondContact O-CG 3.22Å; T208-L212 PolarHBondContact O-N 3Å; L212-A214 VanDerWaalsContact C-N 3.3Å; L212-A214 PolarHBondContact O-N 2.88Å; L212-G215 PolarHBondContact O-N 3.38Å; L212-G215 VanDerWaalsContact O-N 3.16Å; L212-F216 HydrophobicContact CB-CE2 4.48Å; L212-F216 WeakPolarHBondContact O-CD2 3.42Å; L212-F216 PolarHBondContact O-N 3.12Å
213	T	33.3	Very low	32.8	Very low	77 Å²	77	95.8 Å²	95.8	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-34.7	178.2	-57.7	0	0	0	0	112.4	A209 T210 L211 Q217	A209-T213 WeakPolarHBondContact O-CB 3.48Å; A209-T213 PolarHBondContact O-N 3.09Å; A209-T213 PolarHBondContact O-OG1 3Å; T210-T213 PolarHBondContact O-N 3.47Å; L211-T213 VanDerWaalsContact C-N 3.34Å; L211-T213 PolarHBondContact O-N 2.98Å; T213-Q217 WeakPolarHBondContact O-CG 3.41Å; T213-Q217 PolarHBondContact O-N 3.11Å
214	A	31.9	Very low	32.7	Very low	51 Å²	51	99.3 Å²	99.3	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-68.4	-42.2	172.3	0	0	0	0	0	111.8	T210 L211 L212 Q217 T218	T210-A214 WeakPolarHBondContact O-CB 3.39Å; T210-A214 PolarHBondContact O-N 2.89Å; L211-A214 WeakPolarHBondContact O-CB 3.42Å; L211-A214 PolarHBondContact O-N 3.24Å; L212-A214 VanDerWaalsContact C-N 3.3Å; L212-A214 PolarHBondContact O-N 2.88Å; A214-Q217 CarbonylContact O-C 3.54Å; A214-Q217 WeakPolarHBondContact O-CA 3.16Å; A214-Q217 WeakPolarHBondContact O-CB 3.44Å; A214-Q217 PolarHBondContact O-N 3.03Å; A214-Q217 VanDerWaalsContact O-N 3.13Å; A214-T218 PolarHBondContact O-N 3.01Å; A214-T218 PolarHBondContact O-OG1 3.01Å
215	G	29.4	Very low	32.7	Very low	30 Å²	30	99.5 Å²	99.5	31%	0.309	52%	0.524	S	S	.	.	H	α-helix	trans	-57.6	-48.6	176.9	0	0	0	0	0	113.2	L211 L212 Q217 T218 L219	L211-G215 PolarHBondContact O-N 3.1Å; L212-G215 PolarHBondContact O-N 3.38Å; L212-G215 VanDerWaalsContact O-N 3.16Å; G215-Q217 VanDerWaalsContact C-N 3.29Å; G215-Q217 PolarHBondContact O-N 3.19Å; G215-T218 WeakPolarHBondContact CA-OG1 3.24Å; G215-T218 PolarHBondContact O-N 3Å; G215-T218 PolarHBondContact O-OG1 3.47Å; G215-L219 PolarHBondContact O-N 3.16Å
216	F	29.7	Very low	32.6	Very low	137 Å²	137	92.8 Å²	92.8	60%	0.601	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-34.6	174.7	-68.2	-62.7	0	0	0	112.7	L212 T218 L219 E220	L212-F216 HydrophobicContact CB-CE2 4.48Å; L212-F216 WeakPolarHBondContact O-CD2 3.42Å; L212-F216 PolarHBondContact O-N 3.12Å; F216-T218 VanDerWaalsContact C-N 3.3Å; F216-T218 PolarHBondContact O-N 3.32Å; F216-L219 WeakPolarHBondContact O-CB 3.36Å; F216-L219 PolarHBondContact O-N 2.95Å; F216-E220 PolarHBondContact O-N 3.37Å
217	Q	33	Very low	32.8	Very low	104 Å²	104	90.2 Å²	90.2	49%	0.486	49%	0.492	S	S	.	.	H	α-helix	trans	-73.3	-17.1	173.9	-73.8	-177.9	44.7	0	0	113.9	T213 A214 G215 K221	T213-Q217 WeakPolarHBondContact O-CG 3.41Å; T213-Q217 PolarHBondContact O-N 3.11Å; A214-Q217 CarbonylContact O-C 3.54Å; A214-Q217 WeakPolarHBondContact O-CA 3.16Å; A214-Q217 WeakPolarHBondContact O-CB 3.44Å; A214-Q217 PolarHBondContact O-N 3.03Å; A214-Q217 VanDerWaalsContact O-N 3.13Å; G215-Q217 VanDerWaalsContact C-N 3.29Å; G215-Q217 PolarHBondContact O-N 3.19Å; Q217-K221 VanDerWaalsContact O-CD 3.26Å; Q217-K221 WeakPolarHBondContact O-CD 3.24Å; Q217-K221 WeakPolarHBondContact O-CE 3.43Å; Q217-K221 WeakPolarHBondContact O-CG 3.33Å; Q217-K221 PolarHBondContact O-NZ 2.94Å
218	T	31	Very low	32.9	Very low	68 Å²	68	87.2 Å²	87.2	42%	0.417	48%	0.483	S	S	.	.	H	α-helix	trans	-84.4	-34.3	167.2	37	0	0	0	0	111.9	A214 G215 F216 K221 I222	A214-T218 PolarHBondContact O-N 3.01Å; A214-T218 PolarHBondContact O-OG1 3.01Å; G215-T218 WeakPolarHBondContact CA-OG1 3.24Å; G215-T218 PolarHBondContact O-N 3Å; G215-T218 PolarHBondContact O-OG1 3.47Å; F216-T218 VanDerWaalsContact C-N 3.3Å; F216-T218 PolarHBondContact O-N 3.32Å; T218-K221 WeakPolarHBondContact O-CB 3.21Å; T218-K221 PolarHBondContact O-N 3.48Å; T218-K221 VanDerWaalsContact O-N 3.07Å; T218-I222 WeakPolarHBondContact O-CG1 3.45Å; T218-I222 PolarHBondContact O-N 2.85Å
219	L	33.7	Very low	33	Very low	56 Å²	56	86.3 Å²	86.3	29%	0.293	48%	0.475	S	S	.	.	H	α-helix	trans	-58.1	-51.9	178.1	-159	75.2	0	0	0	112.1	Q98 G215 F216 K221 I222 E223	Q98-L219 HydrophobicContact CG-CD1 3.7Å; Q98-L219 VanDerWaalsContact OE1-CD1 3.29Å; G215-L219 PolarHBondContact O-N 3.16Å; F216-L219 WeakPolarHBondContact O-CB 3.36Å; F216-L219 PolarHBondContact O-N 2.95Å; L219-K221 PolarHBondContact O-N 2.75Å; L219-I222 PolarHBondContact O-N 3.01Å; L219-E223 PolarHBondContact O-N 3.11Å
220	E	33.8	Very low	33.2	Very low	139 Å²	139	89.7 Å²	89.7	65%	0.65	49%	0.485	S	S	*	.	H	α-helix	trans	-54.1	-31.1	175.7	-76.1	-166.7	140.4	0	0	112.8	F216 D224	F216-E220 PolarHBondContact O-N 3.37Å; E220-D224 WeakPolarHBondContact O-CB 3.5Å; E220-D224 PolarHBondContact O-N 2.83Å; E220-D224 VanDerWaalsContact O-N 3.15Å
221	K	36.2	Very low	33.3	Very low	115 Å²	115	94.1 Å²	94.1	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-82.6	-31.2	-178.4	-61.5	172.2	-171.4	125.4	0	112.3	Q217 T218 L219 M225	Q217-K221 VanDerWaalsContact O-CD 3.26Å; Q217-K221 WeakPolarHBondContact O-CD 3.24Å; Q217-K221 WeakPolarHBondContact O-CE 3.43Å; Q217-K221 WeakPolarHBondContact O-CG 3.33Å; Q217-K221 PolarHBondContact O-NZ 2.94Å; T218-K221 WeakPolarHBondContact O-CB 3.21Å; T218-K221 PolarHBondContact O-N 3.48Å; T218-K221 VanDerWaalsContact O-N 3.07Å; L219-K221 PolarHBondContact O-N 2.75Å; K221-M225 WeakPolarHBondContact O-CG 3.45Å; K221-M225 PolarHBondContact O-N 2.99Å
222	I	35.4	Very low	33.4	Very low	84 Å²	84	95 Å²	95	43%	0.431	49%	0.492	S	S	.	.	H	α-helix	trans	-74.2	-41.4	175.6	-67.3	166.7	0	0	0	109.5	T218 L219 M225 A226	T218-I222 WeakPolarHBondContact O-CG1 3.45Å; T218-I222 PolarHBondContact O-N 2.85Å; L219-I222 PolarHBondContact O-N 3.01Å; I222-M225 HydrophobicContact CG1-CE 4.45Å; I222-M225 PolarHBondContact O-N 3.16Å; I222-A226 WeakPolarHBondContact O-CB 3.39Å; I222-A226 PolarHBondContact O-N 3.46Å
223	E	33.8	Very low	33.6	Very low	120 Å²	120	97.4 Å²	97.4	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-60.1	-48.9	171.4	-68.7	-174.1	156.7	0	0	112.2	L219 M225 A226 V227	L219-E223 PolarHBondContact O-N 3.11Å; E223-M225 PolarHBondContact O-N 2.85Å; E223-A226 PolarHBondContact O-N 2.89Å; E223-V227 WeakPolarHBondContact O-CB 3.37Å; E223-V227 WeakPolarHBondContact O-CG2 3.1Å; E223-V227 PolarHBondContact O-N 2.47Å
224	D	33.4	Very low	33.7	Very low	106 Å²	106	105 Å²	105	57%	0.567	52%	0.521	S	S	*	.	H	α-helix	trans	-56.8	-33.8	175.6	-111.4	-0.8	0	0	0	111.7	E220 S228	E220-D224 WeakPolarHBondContact O-CB 3.5Å; E220-D224 PolarHBondContact O-N 2.83Å; E220-D224 VanDerWaalsContact O-N 3.15Å; D224-S228 WeakPolarHBondContact O-CB 3.47Å; D224-S228 PolarHBondContact O-N 2.46Å
225	M	32.8	Very low	33.9	Very low	112 Å²	112	110.3 Å²	110.3	55%	0.552	54%	0.541	S	S	*	.	H	α-helix	trans	-76.6	-46.5	175.6	-77.2	-169.5	-63.2	0	0	112.7	K221 I222 E223 V227 S228 L229	K221-M225 WeakPolarHBondContact O-CG 3.45Å; K221-M225 PolarHBondContact O-N 2.99Å; I222-M225 HydrophobicContact CG1-CE 4.45Å; I222-M225 PolarHBondContact O-N 3.16Å; E223-M225 PolarHBondContact O-N 2.85Å; M225-V227 VanDerWaalsContact C-N 3.34Å; M225-V227 PolarHBondContact O-N 3.38Å; M225-S228 WeakPolarHBondContact O-CA 3.39Å; M225-S228 WeakPolarHBondContact O-CB 3.4Å; M225-S228 PolarHBondContact O-N 3.23Å; M225-S228 PolarHBondContact O-OG 3.38Å; M225-L229 PolarHBondContact O-N 3.14Å
226	A	33.3	Very low	33.7	Very low	31 Å²	31	117 Å²	117	26%	0.256	57%	0.569	S	S	.	*	H	α-helix	trans	-59.6	-44.1	177.6	0	0	0	0	0	111.6	I222 E223 S228 L229 I230	I222-A226 WeakPolarHBondContact O-CB 3.39Å; I222-A226 PolarHBondContact O-N 3.46Å; E223-A226 PolarHBondContact O-N 2.89Å; A226-S228 PolarHBondContact O-N 3.38Å; A226-L229 PolarHBondContact O-N 2.92Å; A226-L229 VanDerWaalsContact O-N 3.16Å; A226-I230 WeakPolarHBondContact O-CB 3.36Å; A226-I230 WeakPolarHBondContact O-CG1 3.21Å; A226-I230 PolarHBondContact O-N 3.42Å
227	V	36.5	Very low	33.7	Very low	90 Å²	90	117.3 Å²	117.3	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-64.8	-24.7	174.5	173.1	0	0	0	0	112.3	E223 M225 R231	E223-V227 WeakPolarHBondContact O-CB 3.37Å; E223-V227 WeakPolarHBondContact O-CG2 3.1Å; E223-V227 PolarHBondContact O-N 2.47Å; M225-V227 VanDerWaalsContact C-N 3.34Å; M225-V227 PolarHBondContact O-N 3.38Å; V227-R231 VanDerWaalsContact O-CB 3.24Å; V227-R231 WeakPolarHBondContact O-CB 3.43Å
228	S	32.3	Very low	33.4	Very low	59 Å²	59	118.2 Å²	118.2	41%	0.413	59%	0.592	S	S	.	*	H	α-helix	trans	-77.3	-35.6	173	82.9	0	0	0	0	113	D224 M225 A226 E232	D224-S228 WeakPolarHBondContact O-CB 3.47Å; D224-S228 PolarHBondContact O-N 2.46Å; M225-S228 WeakPolarHBondContact O-CA 3.39Å; M225-S228 WeakPolarHBondContact O-CB 3.4Å; M225-S228 PolarHBondContact O-N 3.23Å; M225-S228 PolarHBondContact O-OG 3.38Å; A226-S228 PolarHBondContact O-N 3.38Å; S228-E232 WeakPolarHBondContact O-CG 3.31Å
229	L	32.9	Very low	33.2	Very low	61 Å²	61	119.2 Å²	119.2	32%	0.319	60%	0.602	S	S	.	*	H	α-helix	trans	-74.3	-49.6	178.8	-66	173.5	0	0	0	111.2	R73 M225 A226 R231 E232	R73-L229 HydrophobicContact CG-CD2 4.09Å; M225-L229 PolarHBondContact O-N 3.14Å; A226-L229 PolarHBondContact O-N 2.92Å; A226-L229 VanDerWaalsContact O-N 3.16Å; L229-R231 PolarHBondContact O-N 2.91Å; L229-E232 PolarHBondContact O-N 3.06Å
230	I	38.8	Very low	33.3	Very low	122 Å²	122	125.2 Å²	125.2	63%	0.626	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-16.1	-177.7	-65.3	165	0	0	0	112.6	A226	A226-I230 WeakPolarHBondContact O-CB 3.36Å; A226-I230 WeakPolarHBondContact O-CG1 3.21Å; A226-I230 PolarHBondContact O-N 3.42Å
231	R	35.1	Very low	33	Very low	183 Å²	183	128 Å²	128	69%	0.691	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-21.5	-174.1	173	172.1	-78.8	-86.2	-1.4	115.3	V227 L229	V227-R231 VanDerWaalsContact O-CB 3.24Å; V227-R231 WeakPolarHBondContact O-CB 3.43Å; L229-R231 PolarHBondContact O-N 2.91Å
232	E	34.8	Very low	32.5	Very low	146 Å²	146	128.8 Å²	128.8	68%	0.682	65%	0.648	S	S	*	*	S	Bend	trans	-89.9	-12.9	-165.3	-65.2	-98.2	112.9	0	0	114.4	S228 L229	S228-E232 WeakPolarHBondContact O-CG 3.31Å; L229-E232 PolarHBondContact O-N 3.06Å
233	E	34.9	Very low	32	Very low	155 Å²	155	131.8 Å²	131.8	72%	0.724	66%	0.664	S	S	*	*	S	Bend	trans	-107.4	-30	-163.6	-153.7	125.3	-128.4	0	0	115.8	L235	E233-L235 VanDerWaalsContact C-N 3.29Å; E233-L235 PolarHBondContact O-N 2.89Å
234	W	34.2	Very low	31.5	Very low	235 Å²	235	131.3 Å²	131.3	89%	0.89	67%	0.674	S	S	*	*			trans	-80.8	53.7	-172.5	-82.1	90.3	0	0	0	115.1
235	L	36.1	Very low	31	Very low	163 Å²	163	137.4 Å²	137.4	85%	0.853	69%	0.689	S	S	*	*			trans	-139.5	32.7	178.2	-87.1	-179.8	0	0	0	116	E233	E233-L235 VanDerWaalsContact C-N 3.29Å; E233-L235 PolarHBondContact O-N 2.89Å
236	L	26.6	Very low	30.7	Very low	170 Å²	170	138.2 Å²	138.2	89%	0.89	70%	0.695	S	S	*	*			trans	-127.1	144.8	160.1	-68.3	175	0	0	0	110.3
237	D	29.6	Very low	30.2	Very low	145 Å²	145	144.7 Å²	144.7	78%	0.775	73%	0.726	S	S	*	*			trans	-137.1	120.9	-165.8	164.2	16.5	0	0	0	110.5	S239	D237-S239 PolarHBondContact OD1-N 2.87Å
238	P	27.3	Very low	29.7	Very low	122 Å²	122	148.9 Å²	148.9	79%	0.792	73%	0.732	S	S	*	*			trans	-106.1	49.7	174	16.9	4.3	0	0	0	115.2
239	S	26.7	Very low	29.8	Very low	89 Å²	89	151.6 Å²	151.6	62%	0.622	75%	0.748	S	S	*	*			trans	73.1	122.2	140.1	71	0	0	0	0	122.1	D237	D237-S239 PolarHBondContact OD1-N 2.87Å
240	Q	34.2	Very low	29.4	Very low	183 Å²	183	153.8 Å²	153.8	86%	0.855	76%	0.757	S	S	*	*			trans	54.5	89.3	134.9	-67.7	-78.3	-73.3	0	0	119.8
241	K	27.5	Very low	28.7	Very low	196 Å²	196	152.7 Å²	152.7	85%	0.852	75%	0.752	S	S	*	*			trans	-176.7	140.8	146.4	-99.1	153.8	-177.8	-179.1	0	108.4
242	D	25.6	Very low	28.2	Very low	132 Å²	132	151.9 Å²	151.9	71%	0.706	75%	0.754	S	S	*	*			cis	-152.6	161.1	-15.2	-133.9	-30.7	0	0	0	111.2
243	L	26.7	Very low	27.7	Very low	147 Å²	147	154.6 Å²	154.6	77%	0.77	76%	0.758	S	S	*	*			trans	11.3	110.6	166	-67.6	160.4	0	0	0	122.2
244	S	22.6	Very low	27.2	Very low	110 Å²	110	154.8 Å²	154.8	77%	0.769	76%	0.764	S	S	*	*			trans	43.5	126.7	136.6	65.2	0	0	0	0	122.6
245	R	23.1	Very low	26.7	Very low	235 Å²	235	149 Å²	149	89%	0.887	75%	0.754	S	S	*	*				-170.6	169.2	98.3	-156.3	157.6	-175.8	170.8	0.5	112.2
246	D	25.1	Very low	26.1	Very low	128 Å²	128	149.2 Å²	149.2	68%	0.684	75%	0.748	S	S	*	*			trans	-57.1	141.3	-172.7	-47.5	-88.9	0	0	0	116.1
247	N	23.9	Very low	26	Very low	168 Å²	168	146 Å²	146	90%	0.898	74%	0.74	S	S	*	*				-165.5	154.7	112.8	-105.3	-53.1	0	0	0	114.2
248	R	26.3	Very low	25.8	Very low	177 Å²	177	147.2 Å²	147.2	67%	0.668	75%	0.746	S	S	*	*			trans	-128.4	140.3	175.1	-170.6	-176.1	172.6	-118.6	-5.6	107.6	E250	R248-E250 IonicContact CZ-OE1 3.53Å; R248-E250 IonicContact NH1-OE1 3.62Å; R248-E250 PolarHBondContact NH1-OE1 3.06Å; R248-E250 IonicContact NH2-OE1 3.63Å; R248-E250 PolarHBondContact NH2-OE1 3.42Å
249	P	34.8	Very low	25.7	Very low	116 Å²	116	144.9 Å²	144.9	75%	0.753	74%	0.744	S	S	*	*				-133.5	153.6	109.7	31.5	-15.2	0	0	0	110.1
250	E	24.1	Very low	25.7	Very low	108 Å²	108	144.2 Å²	144.2	51%	0.505	75%	0.751	S	S	.	*				51.9	127.3	65.3	-61.2	-143.8	-179.3	0	0	112.2	R248	R248-E250 IonicContact CZ-OE1 3.53Å; R248-E250 IonicContact NH1-OE1 3.62Å; R248-E250 PolarHBondContact NH1-OE1 3.06Å; R248-E250 IonicContact NH2-OE1 3.63Å; R248-E250 PolarHBondContact NH2-OE1 3.42Å
251	N	23.9	Very low	25.2	Very low	98 Å²	98	143 Å²	143	52%	0.524	75%	0.745	S	S	.	*			cis	-162.8	171.1	6.1	-105.9	-20.5	0	0	0	108.5
252	F	25.3	Very low	25.2	Very low	166 Å²	166	140 Å²	140	73%	0.728	74%	0.744	S	S	*	*			cis	-162.5	166.1	8.6	-131.5	-24.8	0	0	0	112.2
253	R	23.3	Very low	25.2	Very low	204 Å²	204	139.6 Å²	139.6	77%	0.77	73%	0.732	S	S	*	*			trans	55.2	107.9	134.7	-171.4	-168.3	-114.2	159.8	-0.8	120.2
254	N	23.6	Very low	25.1	Very low	159 Å²	159	139.6 Å²	139.6	85%	0.85	73%	0.733	S	S	*	*				-150.3	131	121.8	-113.1	-30	0	0	0	112
255	V	25.4	Very low	25.3	Very low	112 Å²	112	140.7 Å²	140.7	68%	0.679	73%	0.726	S	S	*	*			trans	-145.3	144.1	-178.9	-174.3	0	0	0	0	108.3
256	F	22.7	Very low	25.5	Very low	168 Å²	168	137.8 Å²	137.8	74%	0.737	73%	0.728	S	S	*	*			trans	72.3	140	-170.5	-58.2	-80.2	0	0	0	113.6
257	S	24.6	Very low	25.7	Very low	102 Å²	102	143 Å²	143	71%	0.713	74%	0.738	S	S	*	*			cis	-139.6	129	8.9	-74.7	0	0	0	0	112.7
258	L	26.1	Very low	25.8	Very low	172 Å²	172	143.6 Å²	143.6	90%	0.901	74%	0.736	S	S	*	*			trans	-142.9	106.6	142.6	-81.7	-174.6	0	0	0	109.2
259	G	24.2	Very low	25.8	Very low	72 Å²	72	143.8 Å²	143.8	74%	0.742	75%	0.749	S	S	*	*			trans	-74.1	134.6	158.6	0	0	0	0	0	108.6	E261	G259-E261 PolarHBondContact O-N 3.19Å
260	G	26.2	Very low	25.3	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	75%	0.748	S	S	*	*			trans	-74.6	120.1	-174.4	0	0	0	0	0	113	T262	G260-T262 PolarHBondContact O-N 2.82Å; G260-T262 VanDerWaalsContact O-N 3.13Å
261	E	25.1	Very low	25.4	Very low	157 Å²	157	142.4 Å²	142.4	73%	0.734	76%	0.759	S	S	*	*			trans	-77.9	88.4	166	-71.7	178.7	175.2	0	0	110	G259 R263	G259-E261 PolarHBondContact O-N 3.19Å; E261-R263 PolarHBondContact O-N 3.02Å
262	T	25.9	Very low	25.7	Very low	135 Å²	135	147.3 Å²	147.3	83%	0.828	78%	0.776	S	S	*	*			trans	-69.8	88.5	160.7	51.7	0	0	0	0	108.6	G260 N264	G260-T262 PolarHBondContact O-N 2.82Å; G260-T262 VanDerWaalsContact O-N 3.13Å; T262-N264 PolarHBondContact O-N 3.01Å
263	R	25.6	Very low	25.7	Very low	123 Å²	123	147.6 Å²	147.6	46%	0.464	78%	0.779	S	S	.	*			trans	-48.4	104.8	175.2	174.7	-177.3	173.5	172.5	-2.4	111.1	E261 E265 A358	E261-R263 PolarHBondContact O-N 3.02Å; R263-E265 IonicContact CZ-OE1 3.43Å; R263-E265 IonicContact NE-OE1 3.45Å; R263-E265 PolarHBondContact NE-OE1 3.07Å; R263-E265 IonicContact NH2-OE1 3.9Å; R263-E265 PolarHBondContact NH2-OE1 3.32Å; R263-A358 PolarHBondContact NH1-O 2.96Å
264	N	25.9	Very low	25.8	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	78%	0.783	S	S	*	*			trans	-112.1	132.5	154.7	-111.8	27.6	0	0	0	106.6	T262	T262-N264 PolarHBondContact O-N 3.01Å
265	E	26.7	Very low	25.9	Very low	133 Å²	133	144 Å²	144	62%	0.621	78%	0.779	S	S	*	*			trans	-84.5	125.5	178.2	-77.3	140	176.7	0	0	110.4	R263	R263-E265 IonicContact CZ-OE1 3.43Å; R263-E265 IonicContact NE-OE1 3.45Å; R263-E265 PolarHBondContact NE-OE1 3.07Å; R263-E265 IonicContact NH2-OE1 3.9Å; R263-E265 PolarHBondContact NH2-OE1 3.32Å
266	N	27.8	Very low	25.8	Very low	174 Å²	174	143.8 Å²	143.8	93%	0.93	78%	0.782	S	S	*	*			trans	-167.6	135.8	148	-95.8	-14	0	0	0	108.1
267	R	27.7	Very low	25.9	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	79%	0.786	S	S	*	*			trans	-109.9	164.2	176.3	-164.2	178.7	-173.6	-178.9	2.9	108.4
268	E	26.1	Very low	25.8	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	79%	0.788	S	S	*	*			trans	69.4	118.4	-177.4	-49.6	-168	91.8	0	0	113.1
269	L	26.8	Very low	25.6	Very low	180 Å²	180	140.6 Å²	140.6	94%	0.942	79%	0.786	S	S	*	*				-138.7	160.6	54.9	-87.9	155.2	0	0	0	113.1
270	A	24.5	Very low	25.7	Very low	89 Å²	89	146 Å²	146	74%	0.736	79%	0.792	S	S	*	*			trans	-111.5	142.3	-174.7	0	0	0	0	0	113.9
271	S	26.3	Very low	26.1	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	79%	0.789	S	S	*	*			trans	43.1	116.6	145	-54.4	0	0	0	0	120.9
272	K	29.3	Very low	25.9	Very low	200 Å²	200	150 Å²	150	87%	0.87	80%	0.8	S	S	*	*				176.8	172.5	112.6	-95.6	162.9	-173.6	180	0	112.8
273	Q	25.3	Very low	25.8	Very low	172 Å²	172	147.1 Å²	147.1	80%	0.804	80%	0.797	S	S	*	*			trans	68.4	119.8	-177.5	-59.5	176.6	-2.1	0	0	113
274	V	25.5	Very low	25.8	Very low	138 Å²	138	150.6 Å²	150.6	84%	0.836	82%	0.818	S	S	*	*			cis	63.4	87.4	14.7	-165.9	0	0	0	0	114.2
275	I	25.6	Very low	25.7	Very low	150 Å²	150	150.7 Å²	150.7	77%	0.769	83%	0.825	S	S	*	*			trans	-130.1	139.1	140.6	-65.1	-176.3	0	0	0	107
276	S	23.7	Very low	25.6	Very low	107 Å²	107	149.5 Å²	149.5	75%	0.748	84%	0.838	S	S	*	*			trans	-114.4	132.9	173	176.4	0	0	0	0	109.2
277	T	24.6	Very low	25.4	Very low	134 Å²	134	146.2 Å²	146.2	82%	0.822	84%	0.835	S	S	*	*			trans	-143.2	94.1	163	37.1	0	0	0	0	109.5
278	G	22.2	Very low	25.4	Very low	73 Å²	73	144.9 Å²	144.9	75%	0.753	84%	0.835	S	S	*	*			trans	-85.7	137.9	162.5	0	0	0	0	0	110.3
279	I	23.7	Very low	25.3	Very low	168 Å²	168	141.7 Å²	141.7	86%	0.862	83%	0.832	S	S	*	*			trans	-129.8	125.8	161.3	-64.2	-178.7	0	0	0	106.4
280	Q	25.1	Very low	25.2	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.864	83%	0.83	S	S	*	*			trans	-89.7	159.4	176.9	-101.1	-166.7	-24.4	0	0	111.9
281	P	34.7	Very low	25.2	Very low	111 Å²	111	139.7 Å²	139.7	72%	0.721	82%	0.823	S	S	*	*			trans	-91.6	160.9	-171.1	37.4	-36.3	0	0	0	113.4
282	H	21.1	Very low	25.3	Very low	206 Å²	206	142.2 Å²	142.2	95%	0.954	83%	0.828	S	S	*	*			trans	-159.5	150.3	152.2	-116.4	-82.6	0	0	0	110.1
283	G	24	Very low	25.2	Very low	74 Å²	74	138.7 Å²	138.7	76%	0.763	82%	0.817	S	S	*	*			trans	125.1	82.2	169.2	0	0	0	0	0	114.8
284	E	25.1	Very low	25.3	Very low	196 Å²	196	139 Å²	139	92%	0.916	82%	0.822	S	S	*	*			trans	-78.7	147.5	167.1	-60	172.9	114	0	0	111.1
285	T	24.1	Very low	25.4	Very low	149 Å²	149	142.8 Å²	142.8	91%	0.914	82%	0.822	S	S	*	*			trans	-147.3	133.1	148.2	31.1	0	0	0	0	108.9
286	A	24.4	Very low	25.4	Very low	108 Å²	108	138.5 Å²	138.5	89%	0.893	82%	0.815	S	S	*	*			trans	-113.6	141.7	-179.1	0	0	0	0	0	111.1
287	A	24.6	Very low	25.5	Very low	105 Å²	105	141.1 Å²	141.1	87%	0.868	82%	0.819	S	S	*	*			trans	-126.8	149	171.6	0	0	0	0	0	109.8
288	K	26.5	Very low	25.6	Very low	210 Å²	210	143.3 Å²	143.3	91%	0.913	82%	0.82	S	S	*	*			trans	-88.6	157.8	-158.8	-77.5	174.3	175.7	173.3	0	115.5
289	C	23.6	Very low	26.3	Very low	114 Å²	114	148.1 Å²	148.1	77%	0.77	82%	0.823	S	S	*	*			trans	-44	163.5	171.9	-40.9	0	0	0	0	116.6
290	N	25.3	Very low	26.9	Very low	170 Å²	170	143.3 Å²	143.3	91%	0.909	82%	0.815	S	S	*	*			trans	-127.7	127.8	131.6	-84.6	-37.2	0	0	0	108.6
291	G	24.9	Very low	27.3	Very low	56 Å²	56	142.8 Å²	142.8	58%	0.577	81%	0.812	S	S	*	*			trans	-96.4	-172.3	155	0	0	0	0	0	109.1
292	D	27.8	Very low	27.4	Very low	160 Å²	160	141.5 Å²	141.5	86%	0.856	81%	0.811	S	S	*	*			cis	-156.2	-155.9	-4.9	-82.5	-51.2	0	0	0	104.9
293	I	27.5	Very low	28.2	Very low	126 Å²	126	141.5 Å²	141.5	65%	0.646	80%	0.802	S	S	*	*			cis	-153	131.7	4.6	-41.3	155.1	0	0	0	107.6
294	I	27.9	Very low	29.1	Very low	179 Å²	179	141.7 Å²	141.7	92%	0.918	79%	0.786	S	S	*	*			trans	-146.2	150	131.9	-76.6	-149.7	0	0	0	107.6
295	R	26.4	Very low	29.7	Very low	218 Å²	218	138.1 Å²	138.1	82%	0.823	77%	0.772	S	S	*	*			trans	-137.2	130.3	-155.3	-176.5	-165.9	-48.3	-167.4	3.7	112.1
296	G	26.4	Very low	30.4	Very low	60 Å²	60	136.8 Å²	136.8	62%	0.619	76%	0.759	S	S	*	*			trans	-163	120.7	163.8	0	0	0	0	0	106.8
297	L	26.4	Very low	30.9	Very low	162 Å²	162	133 Å²	133	85%	0.848	73%	0.731	S	S	*	*				60.2	108.4	83.3	-65.6	174.1	0	0	0	110.2
298	E	26.3	Very low	31.6	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	72%	0.718	S	S	*	*			cis	-141.9	163	11.9	-63.4	-176.6	136.4	0	0	113.4
299	H	36.3	Very low	32	Very low	174 Å²	174	131.4 Å²	131.4	81%	0.806	71%	0.706	S	S	*	*			trans	-108.6	61.8	-174.6	-163.4	-62.8	0	0	0	111.7
300	G	36.6	Very low	32.7	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	71%	0.705	S	S	*	*	S	Bend	trans	-96.8	-65.6	-172.6	0	0	0	0	0	116
301	E	33.8	Very low	33.5	Very low	173 Å²	173	134.6 Å²	134.6	81%	0.808	70%	0.696	S	S	*	*	S	Bend	trans	-111.3	-6.6	-155	-60	-176	133.1	0	0	115.7	R303	E301-R303 PolarHBondContact O-N 3.31Å
302	A	37.4	Very low	34.3	Very low	84 Å²	84	140.5 Å²	140.5	69%	0.694	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-2.5	-171	0	0	0	0	0	116.1
303	R	37.5	Very low	35.1	Very low	206 Å²	206	144.2 Å²	144.2	78%	0.777	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-18.3	-177.2	-157	177.4	-70.8	175.7	-0.4	114.4	E301	E301-R303 PolarHBondContact O-N 3.31Å
304	D	41.7	Very low	35.7	Very low	79 Å²	79	141.3 Å²	141.3	42%	0.422	71%	0.712	S	S	.	*	H	α-helix	trans	-91.7	-25.3	-178.2	-168.8	42.4	0	0	0	113.4	G307 R308	D304-G307 PolarHBondContact O-N 2.89Å; D304-R308 WeakPolarHBondContact O-CG 3.42Å; D304-R308 PolarHBondContact O-N 3.34Å; D304-R308 IonicContact OD1-NE 2.75Å; D304-R308 IonicContact OD2-CZ 3.58Å; D304-R308 IonicContact OD2-NE 3.13Å; D304-R308 PolarHBondContact OD2-NE 3.1Å; D304-R308 IonicContact OD2-NH2 2.67Å; D304-R308 PolarHBondContact OD2-NH2 3.05Å
305	L	39.4	Very low	35.9	Very low	120 Å²	120	139.2 Å²	139.2	63%	0.628	70%	0.702	S	S	*	*	H	α-helix	trans	-68.4	-37.2	178	-75.7	167.5	0	0	0	113.4	R308 L309	L305-R308 PolarHBondContact O-N 2.76Å; L305-L309 PolarHBondContact O-N 2.86Å
306	L	37	Very low	37	Very low	121 Å²	121	134.2 Å²	134.2	63%	0.634	70%	0.698	S	S	*	*	H	α-helix	trans	-67.4	-40.9	173.7	-75.1	168.1	0	0	0	111.4	R308 L309 E310	L306-R308 PolarHBondContact O-N 3.47Å; L306-R308 VanDerWaalsContact O-N 3.14Å; L306-L309 PolarHBondContact O-N 3.17Å; L306-E310 PolarHBondContact O-N 3.39Å
307	G	36.4	Very low	38	Very low	30 Å²	30	137.2 Å²	137.2	31%	0.309	71%	0.705	S	S	.	*	H	α-helix	trans	-66.7	-10.2	176.7	0	0	0	0	0	115.3	D304 R311	D304-G307 PolarHBondContact O-N 2.89Å; G307-R311 PolarHBondContact O-NE 3.16Å; G307-R311 PolarHBondContact O-NH2 3.44Å
308	R	38.9	Very low	39.1	Very low	155 Å²	155	135.6 Å²	135.6	59%	0.585	69%	0.693	S	S	*	*	H	α-helix	trans	-100.6	-35.7	175	-69	177.2	-168.8	-124.8	8.5	112.9	D304 L305 L306 E310 R311	D304-R308 WeakPolarHBondContact O-CG 3.42Å; D304-R308 PolarHBondContact O-N 3.34Å; D304-R308 IonicContact OD1-NE 2.75Å; D304-R308 IonicContact OD2-CZ 3.58Å; D304-R308 IonicContact OD2-NE 3.13Å; D304-R308 PolarHBondContact OD2-NE 3.1Å; D304-R308 IonicContact OD2-NH2 2.67Å; D304-R308 PolarHBondContact OD2-NH2 3.05Å; L305-R308 PolarHBondContact O-N 2.76Å; L306-R308 PolarHBondContact O-N 3.47Å; L306-R308 VanDerWaalsContact O-N 3.14Å; R308-E310 PolarHBondContact O-N 3.16Å; R308-R311 PolarHBondContact O-N 3.28Å
309	L	35.1	Very low	40.3	Very low	126 Å²	126	132.9 Å²	132.9	66%	0.66	68%	0.68	S	S	*	*	H	α-helix	trans	-66.6	-34.1	179	-80.7	167.8	0	0	0	113.4	L305 L306 R311 Q312	L305-L309 PolarHBondContact O-N 2.86Å; L306-L309 PolarHBondContact O-N 3.17Å; L309-R311 VanDerWaalsContact C-N 3.29Å; L309-R311 PolarHBondContact O-N 2.98Å; L309-Q312 PolarHBondContact O-N 3.09Å
310	E	37.2	Very low	41.3	Very low	163 Å²	163	132.9 Å²	132.9	76%	0.762	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-75.3	-16.6	179.1	-63.3	-169	132.1	0	0	113.5	L306 R308	L306-E310 PolarHBondContact O-N 3.39Å; R308-E310 PolarHBondContact O-N 3.16Å
311	R	42.1	Very low	42.4	Very low	188 Å²	188	138.5 Å²	138.5	71%	0.709	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-86	-1.2	174.9	-87.8	179.9	-74.9	175.5	-3.9	115	G307 R308 L309	G307-R311 PolarHBondContact O-NE 3.16Å; G307-R311 PolarHBondContact O-NH2 3.44Å; R308-R311 PolarHBondContact O-N 3.28Å; L309-R311 VanDerWaalsContact C-N 3.29Å; L309-R311 PolarHBondContact O-N 2.98Å
312	Q	41.4	Very low	44.2	Very low	180 Å²	180	133.4 Å²	133.4	84%	0.841	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-107	22.5	170.6	-71.6	-165.9	-13.9	0	0	113.8	L309	L309-Q312 PolarHBondContact O-N 3.09Å
313	R	44.5	Very low	46.2	Very low	237 Å²	237	135 Å²	135	89%	0.894	64%	0.641	S	S	*	*	S	Bend	trans	-115.5	31.1	170.9	-147.1	-175.8	-168.2	-176.5	4.8	114.2
314	G	42	Very low	48.4	Very low	66 Å²	66	125.2 Å²	125.2	68%	0.68	60%	0.604	S	S	*	*			trans	-167.5	77.4	178.4	0	0	0	0	0	113.8
315	N	31.7	Very low	50.2	Low	134 Å²	134	126.7 Å²	126.7	72%	0.717	61%	0.612	S	S	*	*			trans	-123.7	109.6	159.5	-163.4	0.1	0	0	0	108.6	T317	N315-T317 VanDerWaalsContact C-N 3.35Å; N315-T317 PolarHBondContact O-N 2.93Å; N315-T317 VanDerWaalsContact O-N 3.11Å
316	P	49.9	Very low	52	Low	114 Å²	114	127.1 Å²	127.1	74%	0.74	61%	0.611	S	S	*	*			trans	-88.9	58	-166	35.8	-36.9	0	0	0	113.3	Q318	P316-Q318 PolarHBondContact O-N 3.08Å
317	T	47.2	Very low	54.1	Low	122 Å²	122	123.7 Å²	123.7	75%	0.748	60%	0.596	S	S	*	*			trans	-94	32.3	-174.7	47.3	0	0	0	0	115.7	N315	N315-T317 VanDerWaalsContact C-N 3.35Å; N315-T317 PolarHBondContact O-N 2.93Å; N315-T317 VanDerWaalsContact O-N 3.11Å
318	Q	49.1	Very low	56.2	Low	129 Å²	129	125 Å²	125	60%	0.603	61%	0.609	S	S	*	*	S	Bend	trans	-153.6	111.7	131.9	-152.5	167.3	29.8	0	0	108.5	P316 R320	P316-Q318 PolarHBondContact O-N 3.08Å; Q318-R320 PolarHBondContact O-N 3.3Å; Q318-R320 VanDerWaalsContact O-N 3.16Å
319	E	50.9	Low	58.2	Low	123 Å²	123	122.9 Å²	122.9	58%	0.575	60%	0.604	S	S	*	*			trans	-59.5	119.6	175.4	-173.9	179.8	-130.6	0	0	108.7	R321	E319-R321 HydrophobicContact CG-CB 4.36Å; E319-R321 PolarHBondContact O-N 3.29Å; E319-R321 IonicContact OE2-CZ 2.68Å; E319-R321 IonicContact OE2-NE 2.77Å; E319-R321 PolarHBondContact OE2-NE 2.83Å; E319-R321 IonicContact OE2-NH2 2.73Å; E319-R321 PolarHBondContact OE2-NH2 3.49Å
320	R	56.8	Low	60.4	Low	173 Å²	173	119.6 Å²	119.6	65%	0.653	59%	0.591	S	S	*	*			trans	-77.4	55.6	-179.9	-64.3	-174.4	178.8	177.9	-1.5	111.2	Q318 H322 F331	Q318-R320 PolarHBondContact O-N 3.3Å; Q318-R320 VanDerWaalsContact O-N 3.16Å; R320-H322 PolarHBondContact O-N 2.84Å; R320-H322 VanDerWaalsContact O-N 3.11Å; R320-F331 CarbonylContact C-O 3.04Å; R320-F331 WeakPolarHBondContact CA-O 3.25Å
321	R	60.8	Low	62.7	Low	186 Å²	186	114.2 Å²	114.2	70%	0.702	57%	0.566	S	S	*	*			trans	-58.2	-25.1	-170.8	-165.3	177.9	-75	-172.9	-5.1	112.7	E319 K323	E319-R321 HydrophobicContact CG-CB 4.36Å; E319-R321 PolarHBondContact O-N 3.29Å; E319-R321 IonicContact OE2-CZ 2.68Å; E319-R321 IonicContact OE2-NE 2.77Å; E319-R321 PolarHBondContact OE2-NE 2.83Å; E319-R321 IonicContact OE2-NH2 2.73Å; E319-R321 PolarHBondContact OE2-NH2 3.49Å; R321-K323 PolarHBondContact O-N 2.92Å
322	H	71.8	Confident	64.6	Low	65 Å²	65	107.5 Å²	107.5	30%	0.301	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	80.6	-178.7	-58.7	-66.4	0	0	0	111.7	R320 F331 S334 L337	R320-H322 PolarHBondContact O-N 2.84Å; R320-H322 VanDerWaalsContact O-N 3.11Å; H322-F331 HydrophobicContact CB-CB 4.47Å; H322-F331 PolarHBondContact O-N 2.89Å; H322-S334 PolarHBondContact CD2-N 2.9Å; H322-L337 HydrophobicContact CB-CB 3.91Å; H322-L337 HydrophobicContact CB-CD2 3.8Å; H322-L337 HydrophobicContact CB-CG 4.47Å
323	K	79.2	Confident	66.4	Low	119 Å²	119	104.3 Å²	104.3	52%	0.517	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	151	169.8	61.1	174.9	-179.7	146.9	0	112	R321 D325 K329 L337	R321-K323 PolarHBondContact O-N 2.92Å; K323-D325 WeakPolarHBondContact CE-OD1 3.37Å; K323-D325 IonicContact NZ-OD1 3.14Å; K323-D325 PolarHBondContact NZ-OD1 2.67Å; K323-K329 CarbonylContact C-O 3.6Å; K323-L337 WeakPolarHBondContact O-CD1 3.26Å; K323-L337 WeakPolarHBondContact O-CD2 3.34Å
324	C	83.8	Confident	68	Low	0 Å²	0	96.2 Å²	96.2	0%	0	52%	0.515	C	S	.	.			trans	-98.7	115.5	165.7	176.8	0	0	0	0	109.6	E326 C327 G328 K329 F331 L337 H344	C324-E326 VanDerWaalsContact C-N 3.31Å; C324-E326 PolarHBondContact O-N 2.75Å; C324-C327 PolarHBondContact O-N 2.99Å; C324-G328 WeakPolarHBondContact O-CA 3.38Å; C324-G328 PolarHBondContact O-N 2.86Å; C324-K329 PolarHBondContact N-O 3Å; C324-F331 HydrophobicContact CB-CE2 4.48Å; C324-L337 HydrophobicContact CB-CD1 3.57Å; C324-H344 VanDerWaalsContact SG-CD2 3.6Å; C324-H344 PolarHBondContact SG-NE2 2.97Å
325	D	78.7	Confident	69.6	Low	110 Å²	110	96.2 Å²	96.2	59%	0.588	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.6	-173.5	-56.3	-79.7	0	0	0	113.6	K323	K323-D325 WeakPolarHBondContact CE-OD1 3.37Å; K323-D325 IonicContact NZ-OD1 3.14Å; K323-D325 PolarHBondContact NZ-OD1 2.67Å
326	E	77.5	Confident	71.8	Confident	129 Å²	129	90.1 Å²	90.1	60%	0.603	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-24.1	175.4	-68.9	-166.4	-163.8	0	0	114.6	C324 H344	C324-E326 VanDerWaalsContact C-N 3.31Å; C324-E326 PolarHBondContact O-N 2.75Å; E326-H344 VanDerWaalsContact OE2-CB 3.32Å; E326-H344 WeakPolarHBondContact OE2-CB 3.22Å; E326-H344 IonicContact OE2-CD2 3.38Å; E326-H344 IonicContact OE2-CG 3.59Å
327	C	81.6	Confident	73.3	Confident	49 Å²	49	85.8 Å²	85.8	33%	0.331	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.1	10.6	-175.2	77	0	0	0	0	116	C324 K329 H340	C324-C327 PolarHBondContact O-N 2.99Å; C327-K329 PolarHBondContact O-N 3.11Å; C327-H340 PolarHBondContact SG-NE2 3.04Å
328	G	80	Confident	74.7	Confident	56 Å²	56	84.2 Å²	84.2	58%	0.577	43%	0.434	S	S	*	.			trans	69.6	-5.3	175.2	0	0	0	0	0	116.5	C324 S330	C324-G328 WeakPolarHBondContact O-CA 3.38Å; C324-G328 PolarHBondContact O-N 2.86Å; G328-S330 PolarHBondContact O-N 2.97Å
329	K	81.3	Confident	76	Confident	112 Å²	112	84.5 Å²	84.5	49%	0.487	43%	0.43	S	S	.	.			trans	-66.3	125.5	-177	-68.2	174.8	-170	163.7	0	111.1	K323 C324 C327 F331	K323-K329 CarbonylContact C-O 3.6Å; C324-K329 PolarHBondContact N-O 3Å; C327-K329 PolarHBondContact O-N 3.11Å; K329-F331 HydrophobicContact CB-CE2 3.66Å; K329-F331 HydrophobicContact CB-CZ 3.91Å; K329-F331 WeakPolarHBondContact O-CD2 3.45Å; K329-F331 WeakPolarHBondContact O-CE2 3.19Å
330	S	81.9	Confident	77.5	Confident	56 Å²	56	79.2 Å²	79.2	39%	0.392	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.1	-178.9	-20.6	0	0	0	0	111.5	G328	G328-S330 PolarHBondContact O-N 2.97Å
331	F	83.5	Confident	78.4	Confident	50 Å²	50	75.4 Å²	75.4	22%	0.219	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.7	-177.1	-61.7	-91.2	0	0	0	111.1	R320 H322 C324 K329 Q333 L337 H340	R320-F331 CarbonylContact C-O 3.04Å; R320-F331 WeakPolarHBondContact CA-O 3.25Å; H322-F331 HydrophobicContact CB-CB 4.47Å; H322-F331 PolarHBondContact O-N 2.89Å; C324-F331 HydrophobicContact CB-CE2 4.48Å; K329-F331 HydrophobicContact CB-CE2 3.66Å; K329-F331 HydrophobicContact CB-CZ 3.91Å; K329-F331 WeakPolarHBondContact O-CD2 3.45Å; K329-F331 WeakPolarHBondContact O-CE2 3.19Å; F331-Q333 VanDerWaalsContact C-N 3.3Å; F331-L337 HydrophobicContact CB-CB 4.34Å; F331-L337 HydrophobicContact CD2-CB 4.08Å; F331-L337 HydrophobicContact CD2-CD1 3.93Å; F331-L337 HydrophobicContact CE2-CD1 4.2Å; F331-L337 HydrophobicContact CG-CB 4.36Å; F331-H340 HydrophobicContact CE1-CB 3.89Å; F331-H340 HydrophobicContact CE2-CB 3.88Å; F331-H340 AromaticContact CE2-CD2 3.21Å; F331-H340 WeakPolarHBondContact CE2-CD2 3.39Å; F331-H340 AromaticContact CE2-CG 3.64Å; F331-H340 HydrophobicContact CZ-CB 3.44Å; F331-H340 VanDerWaalsContact CZ-CB 3.44Å; F331-H340 AromaticContact CZ-CD2 3.34Å; F331-H340 WeakPolarHBondContact CZ-CD2 3.44Å; F331-H340 AromaticContact CZ-CG 3.27Å
332	A	82.3	Confident	79.4	Confident	47 Å²	47	69.3 Å²	69.3	39%	0.388	37%	0.368	S	S	.	.	S	Bend	trans	-74.4	-19.5	177	0	0	0	0	0	113.4
333	Q	80.8	Confident	79.6	Confident	114 Å²	114	69.3 Å²	69.3	53%	0.533	37%	0.369	S	S	.	.	S	Bend	trans	-139.5	146.6	-175.2	-67.5	173.9	-24.9	0	0	110.5	F331 S335 G336 L337	F331-Q333 VanDerWaalsContact C-N 3.3Å; Q333-S335 PolarHBondContact O-N 3.48Å; Q333-G336 WeakPolarHBondContact O-CA 3.33Å; Q333-G336 PolarHBondContact O-N 3.5Å; Q333-G336 VanDerWaalsContact O-N 3.11Å; Q333-L337 PolarHBondContact O-N 3.15Å; Q333-L337 VanDerWaalsContact O-N 3.16Å
334	S	76.6	Confident	79.6	Confident	66 Å²	66	66.6 Å²	66.6	46%	0.462	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-43.2	174.3	53.5	0	0	0	0	112.1	H322 G336 L337 V338	H322-S334 PolarHBondContact CD2-N 2.9Å; S334-G336 PolarHBondContact O-N 3.23Å; S334-L337 WeakPolarHBondContact O-CA 3.33Å; S334-L337 WeakPolarHBondContact O-CB 3.32Å; S334-L337 PolarHBondContact O-N 3.41Å; S334-V338 WeakPolarHBondContact O-CG2 3.42Å; S334-V338 PolarHBondContact O-N 3.39Å
335	S	76.9	Confident	79.3	Confident	66 Å²	66	69.9 Å²	69.9	46%	0.462	38%	0.378	S	S	.	.	H	α-helix	trans	-56.5	-37.1	173.2	60.3	0	0	0	0	112.4	Q333 R339	Q333-S335 PolarHBondContact O-N 3.48Å; S335-R339 WeakPolarHBondContact O-CB 3.32Å; S335-R339 PolarHBondContact O-N 3Å
336	G	78.3	Confident	79.2	Confident	6 Å²	6	66.2 Å²	66.2	6%	0.062	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-41.3	173.5	0	0	0	0	0	113	Q333 S334 H340	Q333-G336 WeakPolarHBondContact O-CA 3.33Å; Q333-G336 PolarHBondContact O-N 3.5Å; Q333-G336 VanDerWaalsContact O-N 3.11Å; S334-G336 PolarHBondContact O-N 3.23Å; G336-H340 WeakPolarHBondContact O-CB 2.99Å; G336-H340 PolarHBondContact O-N 3.44Å; G336-H340 VanDerWaalsContact O-N 3.08Å
337	L	79.6	Confident	79.2	Confident	23 Å²	23	64.6 Å²	64.6	12%	0.12	36%	0.359	C	S	.	.	H	α-helix	trans	-67.7	-48.6	174.8	173.9	62.8	0	0	0	111.9	H322 K323 C324 F331 Q333 S334 R339 H340 W341	H322-L337 HydrophobicContact CB-CB 3.91Å; H322-L337 HydrophobicContact CB-CD2 3.8Å; H322-L337 HydrophobicContact CB-CG 4.47Å; K323-L337 WeakPolarHBondContact O-CD1 3.26Å; K323-L337 WeakPolarHBondContact O-CD2 3.34Å; C324-L337 HydrophobicContact CB-CD1 3.57Å; F331-L337 HydrophobicContact CB-CB 4.34Å; F331-L337 HydrophobicContact CD2-CB 4.08Å; F331-L337 HydrophobicContact CD2-CD1 3.93Å; F331-L337 HydrophobicContact CE2-CD1 4.2Å; F331-L337 HydrophobicContact CG-CB 4.36Å; Q333-L337 PolarHBondContact O-N 3.15Å; Q333-L337 VanDerWaalsContact O-N 3.16Å; S334-L337 WeakPolarHBondContact O-CA 3.33Å; S334-L337 WeakPolarHBondContact O-CB 3.32Å; S334-L337 PolarHBondContact O-N 3.41Å; L337-R339 VanDerWaalsContact C-N 3.33Å; L337-R339 PolarHBondContact O-N 3.33Å; L337-H340 CarbonylContact O-C 3.57Å; L337-H340 WeakPolarHBondContact O-CA 3.32Å; L337-H340 WeakPolarHBondContact O-CB 3.21Å; L337-H340 PolarHBondContact O-N 2.95Å; L337-W341 PolarHBondContact O-N 3.08Å
338	V	77.6	Confident	79.2	Confident	90 Å²	90	66.7 Å²	66.7	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-42.2	177.9	173	0	0	0	0	111	S334 H340 W341	S334-V338 WeakPolarHBondContact O-CG2 3.42Å; S334-V338 PolarHBondContact O-N 3.39Å; V338-H340 PolarHBondContact O-N 3.25Å; V338-W341 PolarHBondContact O-N 2.84Å
339	R	75.9	Confident	79.2	Confident	135 Å²	135	67.6 Å²	67.6	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-30.4	173	-179	173.2	65.4	-156.7	-1.5	112.7	S335 L337 Y361	S335-R339 WeakPolarHBondContact O-CB 3.32Å; S335-R339 PolarHBondContact O-N 3Å; L337-R339 VanDerWaalsContact C-N 3.33Å; L337-R339 PolarHBondContact O-N 3.33Å; R339-Y361 HydrophobicContact CG-CD1 4.01Å; R339-Y361 HydrophobicContact CG-CE1 3.61Å
340	H	81.9	Confident	79.2	Confident	11 Å²	11	65.9 Å²	65.9	5%	0.051	35%	0.35	C	S	.	.	H	α-helix	trans	-78.8	-36.1	176.1	166.5	48.4	0	0	0	113.3	C327 F331 G336 L337 V338 R342 I343 H344	C327-H340 PolarHBondContact SG-NE2 3.04Å; F331-H340 HydrophobicContact CE1-CB 3.89Å; F331-H340 HydrophobicContact CE2-CB 3.88Å; F331-H340 AromaticContact CE2-CD2 3.21Å; F331-H340 WeakPolarHBondContact CE2-CD2 3.39Å; F331-H340 AromaticContact CE2-CG 3.64Å; F331-H340 HydrophobicContact CZ-CB 3.44Å; F331-H340 VanDerWaalsContact CZ-CB 3.44Å; F331-H340 AromaticContact CZ-CD2 3.34Å; F331-H340 WeakPolarHBondContact CZ-CD2 3.44Å; F331-H340 AromaticContact CZ-CG 3.27Å; G336-H340 WeakPolarHBondContact O-CB 2.99Å; G336-H340 PolarHBondContact O-N 3.44Å; G336-H340 VanDerWaalsContact O-N 3.08Å; L337-H340 CarbonylContact O-C 3.57Å; L337-H340 WeakPolarHBondContact O-CA 3.32Å; L337-H340 WeakPolarHBondContact O-CB 3.21Å; L337-H340 PolarHBondContact O-N 2.95Å; V338-H340 PolarHBondContact O-N 3.25Å; H340-R342 PolarHBondContact O-N 3.25Å; H340-R342 VanDerWaalsContact O-N 3.08Å; H340-I343 VanDerWaalsContact O-CB 3.32Å; H340-I343 WeakPolarHBondContact O-CB 3.26Å; H340-I343 WeakPolarHBondContact O-CG1 3.41Å; H340-I343 PolarHBondContact O-N 3.34Å; H340-H344 AromaticContact CE1-CE1 3.63Å; H340-H344 AromaticContact CE1-NE2 3.37Å; H340-H344 PolarHBondContact CE1-NE2 2.89Å; H340-H344 AromaticContact NE2-CE1 3.83Å; H340-H344 AromaticContact NE2-NE2 3.18Å; H340-H344 PolarHBondContact NE2-NE2 3.39Å; H340-H344 VanDerWaalsContact NE2-NE2 3.18Å
341	W	75.6	Confident	79.2	Confident	94 Å²	94	68.7 Å²	68.7	36%	0.356	36%	0.356	S	S	.	.	H	α-helix	trans	-53.9	-30	177.9	-98.3	82.2	0	0	0	113.2	L337 V338 I343 H344 T345	L337-W341 PolarHBondContact O-N 3.08Å; V338-W341 PolarHBondContact O-N 2.84Å; W341-I343 PolarHBondContact O-N 3.4Å; W341-I343 VanDerWaalsContact O-N 3.07Å; W341-H344 PolarHBondContact O-N 2.99Å; W341-T345 HydrophobicContact CE3-CG2 4.2Å; W341-T345 PolarHBondContact O-N 3.32Å
342	R	82.8	Confident	79.3	Confident	57 Å²	57	66.3 Å²	66.3	22%	0.215	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.3	172.5	-60.3	-176	-174.8	154.6	6.9	115	H340 G346 E347 S360	H340-R342 PolarHBondContact O-N 3.25Å; H340-R342 VanDerWaalsContact O-N 3.08Å; R342-G346 CarbonylContact O-C 3.51Å; R342-G346 WeakPolarHBondContact O-CA 3.42Å; R342-G346 PolarHBondContact O-N 2.92Å; R342-G346 VanDerWaalsContact O-N 3.12Å; R342-E347 HydrophobicContact CB-CB 4.19Å; R342-E347 HydrophobicContact CG-CB 4.08Å; R342-E347 PolarHBondContact O-N 3.08Å; R342-S360 PolarHBondContact NH1-O 3.01Å
343	I	76.9	Confident	79.3	Confident	66 Å²	66	71.4 Å²	71.4	34%	0.338	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-35.4	172.7	-60.2	-174.7	0	0	0	110.5	H340 W341	H340-I343 VanDerWaalsContact O-CB 3.32Å; H340-I343 WeakPolarHBondContact O-CB 3.26Å; H340-I343 WeakPolarHBondContact O-CG1 3.41Å; H340-I343 PolarHBondContact O-N 3.34Å; W341-I343 PolarHBondContact O-N 3.4Å; W341-I343 VanDerWaalsContact O-N 3.07Å
344	H	78.4	Confident	79.2	Confident	61 Å²	61	70.7 Å²	70.7	28%	0.282	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-45.8	-177.8	-49.8	-43.5	0	0	0	112	C324 E326 H340 W341 G346	C324-H344 VanDerWaalsContact SG-CD2 3.6Å; C324-H344 PolarHBondContact SG-NE2 2.97Å; E326-H344 VanDerWaalsContact OE2-CB 3.32Å; E326-H344 WeakPolarHBondContact OE2-CB 3.22Å; E326-H344 IonicContact OE2-CD2 3.38Å; E326-H344 IonicContact OE2-CG 3.59Å; H340-H344 AromaticContact CE1-CE1 3.63Å; H340-H344 AromaticContact CE1-NE2 3.37Å; H340-H344 PolarHBondContact CE1-NE2 2.89Å; H340-H344 AromaticContact NE2-CE1 3.83Å; H340-H344 AromaticContact NE2-NE2 3.18Å; H340-H344 PolarHBondContact NE2-NE2 3.39Å; H340-H344 VanDerWaalsContact NE2-NE2 3.18Å; W341-H344 PolarHBondContact O-N 2.99Å; H344-G346 PolarHBondContact O-N 2.92Å
345	T	77.1	Confident	79.5	Confident	69 Å²	69	70 Å²	70	42%	0.423	37%	0.365	S	S	.	.	S	Bend	trans	-69	-16.1	173.6	66.9	0	0	0	0	112.5	W341 E347	W341-T345 HydrophobicContact CE3-CG2 4.2Å; W341-T345 PolarHBondContact O-N 3.32Å; T345-E347 VanDerWaalsContact CB-OE1 3.27Å; T345-E347 WeakPolarHBondContact CB-OE1 3.4Å; T345-E347 PolarHBondContact O-N 3.07Å; T345-E347 VanDerWaalsContact OG1-CG 3.3Å; T345-E347 WeakPolarHBondContact OG1-CG 3.34Å; T345-E347 PolarHBondContact OG1-OE1 3.25Å
346	G	77.3	Confident	79.6	Confident	34 Å²	34	68.8 Å²	68.8	35%	0.351	36%	0.362	S	S	.	.			trans	73.3	4	-179	0	0	0	0	0	114.4	R342 H344 K348	R342-G346 CarbonylContact O-C 3.51Å; R342-G346 WeakPolarHBondContact O-CA 3.42Å; R342-G346 PolarHBondContact O-N 2.92Å; R342-G346 VanDerWaalsContact O-N 3.12Å; H344-G346 PolarHBondContact O-N 2.92Å; G346-K348 WeakPolarHBondContact O-CD 3.46Å; G346-K348 WeakPolarHBondContact O-CE 3.48Å; G346-K348 PolarHBondContact O-N 3.14Å
347	E	77	Confident	79.7	Confident	95 Å²	95	74 Å²	74	44%	0.444	38%	0.384	S	S	.	.			trans	-54.2	129.5	-177.3	-84.1	165.8	-122.3	0	0	113.1	R342 T345	R342-E347 HydrophobicContact CB-CB 4.19Å; R342-E347 HydrophobicContact CG-CB 4.08Å; R342-E347 PolarHBondContact O-N 3.08Å; T345-E347 VanDerWaalsContact CB-OE1 3.27Å; T345-E347 WeakPolarHBondContact CB-OE1 3.4Å; T345-E347 PolarHBondContact O-N 3.07Å; T345-E347 VanDerWaalsContact OG1-CG 3.3Å; T345-E347 WeakPolarHBondContact OG1-CG 3.34Å; T345-E347 PolarHBondContact OG1-OE1 3.25Å
348	K	81.3	Confident	79.9	Confident	92 Å²	92	74 Å²	74	40%	0.4	39%	0.386	S	S	.	.			trans	-131.6	73.6	179	-74.1	149.5	-168.3	154.4	0	109.9	G346 Y350 A358 F359	G346-K348 WeakPolarHBondContact O-CD 3.46Å; G346-K348 WeakPolarHBondContact O-CE 3.48Å; G346-K348 PolarHBondContact O-N 3.14Å; K348-Y350 PolarHBondContact O-N 3.49Å; K348-Y350 VanDerWaalsContact O-N 3.12Å; K348-A358 HydrophobicContact CB-CB 3.58Å; K348-F359 CarbonylContact C-O 3.53Å; K348-F359 WeakPolarHBondContact CA-O 3.4Å
349	P	81.1	Confident	80.2	Confident	76 Å²	76	71.7 Å²	71.7	49%	0.494	37%	0.369	S	S	.	.			trans	-64.3	-18.6	-172.3	-22.4	34.9	0	0	0	114.5
350	Y	81.3	Confident	80.4	Confident	76 Å²	76	66.6 Å²	66.6	30%	0.298	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	90.4	-172.7	-58	-77.5	0	0	0	110.6	K348 F359 Y361 R362	K348-Y350 PolarHBondContact O-N 3.49Å; K348-Y350 VanDerWaalsContact O-N 3.12Å; Y350-F359 WeakPolarHBondContact CB-O 3.49Å; Y350-F359 PolarHBondContact N-O 3.35Å; Y350-F359 PolarHBondContact O-N 3.47Å; Y350-Y361 VanDerWaalsContact CD2-C 3.41Å; Y350-R362 HydrophobicContact CD1-CB 3.86Å; Y350-R362 HydrophobicContact CD1-CG 4.12Å; Y350-R362 HydrophobicContact CE1-CB 3.65Å; Y350-R362 HydrophobicContact CE1-CG 4.02Å; Y350-R362 HydrophobicContact CE2-CB 4.39Å; Y350-R362 HydrophobicContact CG-CB 4.34Å
351	Q	81.8	Confident	80.3	Confident	114 Å²	114	69.5 Å²	69.5	53%	0.533	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	144	178.2	-160.4	172.2	20	0	0	112.8	N353 G356 A358 L365	Q351-N353 PolarHBondContact O-OD1 3.02Å; Q351-G356 WeakPolarHBondContact CG-O 3.3Å; Q351-G356 PolarHBondContact NE2-O 2.95Å; Q351-A358 HydrophobicContact CG-CB 4.35Å; Q351-L365 WeakPolarHBondContact O-CD2 3.45Å
352	C	84.9	Confident	80.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.375	C	S	.	.			trans	-91.6	109.8	173.3	-171.1	0	0	0	0	111.4	V354 C355 G356 K357 F359 L365 H372	C352-V354 PolarHBondContact O-N 3.06Å; C352-C355 PolarHBondContact O-N 2.75Å; C352-C355 VanDerWaalsContact O-N 3.16Å; C352-G356 WeakPolarHBondContact O-CA 3.34Å; C352-G356 PolarHBondContact O-N 3.26Å; C352-K357 WeakPolarHBondContact CB-O 3.48Å; C352-K357 PolarHBondContact N-O 3Å; C352-F359 HydrophobicContact CB-CE2 4.36Å; C352-L365 HydrophobicContact CB-CD1 3.52Å; C352-H372 VanDerWaalsContact SG-CD2 3.54Å; C352-H372 PolarHBondContact SG-NE2 3.24Å
353	N	81.6	Confident	80.2	Confident	155 Å²	155	73.5 Å²	73.5	83%	0.829	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.6	-177.6	-55	8.2	0	0	0	114.3	Q351	Q351-N353 PolarHBondContact O-OD1 3.02Å
354	V	79.6	Confident	80.3	Confident	98 Å²	98	72 Å²	72	59%	0.594	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-27.7	-178.4	-176.4	0	0	0	0	112.9	C352 H372	C352-V354 PolarHBondContact O-N 3.06Å; V354-H372 HydrophobicContact CG1-CB 4.11Å
355	C	82.7	Confident	80.6	Confident	52 Å²	52	69.9 Å²	69.9	35%	0.351	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.8	8.1	-170.5	71.7	0	0	0	0	114.9	C352 K357 H368 H372	C352-C355 PolarHBondContact O-N 2.75Å; C352-C355 VanDerWaalsContact O-N 3.16Å; C355-K357 PolarHBondContact O-N 2.89Å; C355-H368 PolarHBondContact SG-NE2 3.32Å; C355-H372 PolarHBondContact SG-NE2 3.43Å
356	G	79.8	Confident	80.7	Confident	40 Å²	40	70.8 Å²	70.8	41%	0.412	38%	0.383	S	S	.	.			trans	68.3	-6.2	-178.9	0	0	0	0	0	115.9	Q351 C352 A358	Q351-G356 WeakPolarHBondContact CG-O 3.3Å; Q351-G356 PolarHBondContact NE2-O 2.95Å; C352-G356 WeakPolarHBondContact O-CA 3.34Å; C352-G356 PolarHBondContact O-N 3.26Å; G356-A358 PolarHBondContact O-N 2.84Å
357	K	80.3	Confident	80.6	Confident	117 Å²	117	70.3 Å²	70.3	51%	0.509	37%	0.374	S	S	.	.			trans	-68.4	122.3	-175.4	-68.9	-177.2	179.2	-177.3	0	111.4	C352 C355 F359	C352-K357 WeakPolarHBondContact CB-O 3.48Å; C352-K357 PolarHBondContact N-O 3Å; C355-K357 PolarHBondContact O-N 2.89Å; K357-F359 HydrophobicContact CB-CE2 3.89Å; K357-F359 HydrophobicContact CB-CZ 4.08Å; K357-F359 WeakPolarHBondContact O-CD2 3.42Å; K357-F359 WeakPolarHBondContact O-CE2 3.44Å
358	A	84.3	Confident	80.7	Confident	21 Å²	21	66.9 Å²	66.9	17%	0.174	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.5	179.9	0	0	0	0	0	112.7	R263 K348 Q351 G356	R263-A358 PolarHBondContact NH1-O 2.96Å; K348-A358 HydrophobicContact CB-CB 3.58Å; Q351-A358 HydrophobicContact CG-CB 4.35Å; G356-A358 PolarHBondContact O-N 2.84Å
359	F	82.1	Confident	80.5	Confident	43 Å²	43	65.2 Å²	65.2	19%	0.189	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.2	-176.8	-59.7	-90.5	0	0	0	112.1	K348 Y350 C352 K357 Y361 A364 L365 H368	K348-F359 CarbonylContact C-O 3.53Å; K348-F359 WeakPolarHBondContact CA-O 3.4Å; Y350-F359 WeakPolarHBondContact CB-O 3.49Å; Y350-F359 PolarHBondContact N-O 3.35Å; Y350-F359 PolarHBondContact O-N 3.47Å; C352-F359 HydrophobicContact CB-CE2 4.36Å; K357-F359 HydrophobicContact CB-CE2 3.89Å; K357-F359 HydrophobicContact CB-CZ 4.08Å; K357-F359 WeakPolarHBondContact O-CD2 3.42Å; K357-F359 WeakPolarHBondContact O-CE2 3.44Å; F359-Y361 VanDerWaalsContact C-N 3.35Å; F359-A364 HydrophobicContact CB-CB 4.2Å; F359-A364 HydrophobicContact CD1-CB 3.97Å; F359-A364 HydrophobicContact CG-CB 4.33Å; F359-L365 HydrophobicContact CB-CB 4.43Å; F359-L365 HydrophobicContact CD2-CB 4.07Å; F359-L365 HydrophobicContact CD2-CD1 4.06Å; F359-L365 HydrophobicContact CE2-CD1 4.28Å; F359-L365 HydrophobicContact CG-CB 4.45Å; F359-H368 HydrophobicContact CE1-CB 4.19Å; F359-H368 HydrophobicContact CE2-CB 3.87Å; F359-H368 AromaticContact CE2-CD2 3.42Å; F359-H368 VanDerWaalsContact CE2-CD2 3.42Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.42Å; F359-H368 AromaticContact CE2-CG 3.71Å; F359-H368 HydrophobicContact CZ-CB 3.56Å; F359-H368 AromaticContact CZ-CD2 3.44Å; F359-H368 VanDerWaalsContact CZ-CD2 3.44Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.33Å; F359-H368 AromaticContact CZ-CG 3.32Å; F359-H368 AromaticContact CZ-ND1 3.91Å
360	S	80.9	Confident	80.3	Confident	27 Å²	27	62.2 Å²	62.2	19%	0.189	33%	0.332	C	S	.	.	S	Bend	trans	-78	-16.4	177.3	45.5	0	0	0	0	114	R342	R342-S360 PolarHBondContact NH1-O 3.01Å
361	Y	78.9	Confident	79.9	Confident	72 Å²	72	63.6 Å²	63.6	28%	0.282	34%	0.343	S	S	.	.	S	Bend	trans	-133.2	138.9	-176.3	-43.2	-53.8	0	0	0	112.1	R339 Y350 F359 S363 A364 L365	R339-Y361 HydrophobicContact CG-CD1 4.01Å; R339-Y361 HydrophobicContact CG-CE1 3.61Å; Y350-Y361 VanDerWaalsContact CD2-C 3.41Å; F359-Y361 VanDerWaalsContact C-N 3.35Å; Y361-S363 VanDerWaalsContact C-N 3.33Å; Y361-S363 PolarHBondContact O-N 3.18Å; Y361-A364 HydrophobicContact CD2-CB 4.49Å; Y361-A364 WeakPolarHBondContact O-CB 3.47Å; Y361-A364 PolarHBondContact O-N 2.96Å; Y361-A364 VanDerWaalsContact O-N 3.14Å; Y361-L365 PolarHBondContact O-N 3.19Å
362	R	78.3	Confident	79.5	Confident	150 Å²	150	61.2 Å²	61.2	57%	0.566	33%	0.332	S	S	*	.	H	α-helix	trans	-58.8	-41	176.5	-167.1	176	-179.2	179.8	-2	112.4	Y350 A364 L365 L366	Y350-R362 HydrophobicContact CD1-CB 3.86Å; Y350-R362 HydrophobicContact CD1-CG 4.12Å; Y350-R362 HydrophobicContact CE1-CB 3.65Å; Y350-R362 HydrophobicContact CE1-CG 4.02Å; Y350-R362 HydrophobicContact CE2-CB 4.39Å; Y350-R362 HydrophobicContact CG-CB 4.34Å; R362-A364 VanDerWaalsContact C-N 3.31Å; R362-A364 PolarHBondContact O-N 2.89Å; R362-L365 WeakPolarHBondContact O-CB 3.22Å; R362-L365 PolarHBondContact O-N 3.39Å; R362-L366 HydrophobicContact CG-CD1 4.26Å; R362-L366 WeakPolarHBondContact O-CG 3.19Å; R362-L366 PolarHBondContact O-N 2.92Å
363	S	79	Confident	78.7	Confident	86 Å²	86	66.3 Å²	66.3	60%	0.601	36%	0.359	S	S	*	.	H	α-helix	trans	-62.8	-33.5	176.6	52.4	0	0	0	0	113.5	Y361 S367	Y361-S363 VanDerWaalsContact C-N 3.33Å; Y361-S363 PolarHBondContact O-N 3.18Å; S363-S367 WeakPolarHBondContact O-CB 3.34Å; S363-S367 PolarHBondContact O-N 2.98Å
364	A	79.4	Confident	78	Confident	33 Å²	33	67.1 Å²	67.1	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-72	-36	174.6	0	0	0	0	0	111.9	F359 Y361 R362 H368	F359-A364 HydrophobicContact CB-CB 4.2Å; F359-A364 HydrophobicContact CD1-CB 3.97Å; F359-A364 HydrophobicContact CG-CB 4.33Å; Y361-A364 HydrophobicContact CD2-CB 4.49Å; Y361-A364 WeakPolarHBondContact O-CB 3.47Å; Y361-A364 PolarHBondContact O-N 2.96Å; Y361-A364 VanDerWaalsContact O-N 3.14Å; R362-A364 VanDerWaalsContact C-N 3.31Å; R362-A364 PolarHBondContact O-N 2.89Å; A364-H368 VanDerWaalsContact O-CB 3.3Å; A364-H368 WeakPolarHBondContact O-CB 3.37Å; A364-H368 PolarHBondContact O-N 3.15Å; A364-H368 VanDerWaalsContact O-N 3.09Å
365	L	83.2	Confident	77.5	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.094	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-47.9	170.8	171.3	61.2	0	0	0	111.7	Q351 C352 F359 Y361 R362 S367 H368 Q369	Q351-L365 WeakPolarHBondContact O-CD2 3.45Å; C352-L365 HydrophobicContact CB-CD1 3.52Å; F359-L365 HydrophobicContact CB-CB 4.43Å; F359-L365 HydrophobicContact CD2-CB 4.07Å; F359-L365 HydrophobicContact CD2-CD1 4.06Å; F359-L365 HydrophobicContact CE2-CD1 4.28Å; F359-L365 HydrophobicContact CG-CB 4.45Å; Y361-L365 PolarHBondContact O-N 3.19Å; R362-L365 WeakPolarHBondContact O-CB 3.22Å; R362-L365 PolarHBondContact O-N 3.39Å; L365-S367 PolarHBondContact O-N 3.13Å; L365-H368 CarbonylContact O-C 3.52Å; L365-H368 WeakPolarHBondContact O-CA 3.45Å; L365-H368 WeakPolarHBondContact O-CB 3.28Å; L365-H368 PolarHBondContact O-N 2.81Å; L365-Q369 HydrophobicContact CD1-CG 4.09Å; L365-Q369 WeakPolarHBondContact O-CG 3.35Å; L365-Q369 PolarHBondContact O-N 2.83Å
366	L	80.1	Confident	76.9	Confident	88 Å²	88	68 Å²	68	46%	0.461	35%	0.35	S	S	.	.	H	α-helix	trans	-58.5	-49.6	178.9	-71	167.6	0	0	0	111.2	R362 H368 Q369 D370	R362-L366 HydrophobicContact CG-CD1 4.26Å; R362-L366 WeakPolarHBondContact O-CG 3.19Å; R362-L366 PolarHBondContact O-N 2.92Å; L366-H368 PolarHBondContact O-N 3.02Å; L366-Q369 WeakPolarHBondContact O-CB 3.46Å; L366-Q369 PolarHBondContact O-N 3.12Å; L366-D370 PolarHBondContact O-N 3.07Å; L366-D370 VanDerWaalsContact O-N 3.16Å
367	S	74.6	Confident	76.7	Confident	24 Å²	24	72.7 Å²	72.7	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-16.4	175.2	-179.4	0	0	0	0	113.8	S363 L365 Q389	S363-S367 WeakPolarHBondContact O-CB 3.34Å; S363-S367 PolarHBondContact O-N 2.98Å; L365-S367 PolarHBondContact O-N 3.13Å; S367-Q389 PolarHBondContact OG-NE2 3.24Å
368	H	79.4	Confident	76.7	Confident	22 Å²	22	70.6 Å²	70.6	10%	0.102	34%	0.344	C	S	.	.	H	α-helix	trans	-84.7	-34.2	170.9	-178.1	58.5	0	0	0	112.1	C355 F359 A364 L365 L366 D370 I371 H372	C355-H368 PolarHBondContact SG-NE2 3.32Å; F359-H368 HydrophobicContact CE1-CB 4.19Å; F359-H368 HydrophobicContact CE2-CB 3.87Å; F359-H368 AromaticContact CE2-CD2 3.42Å; F359-H368 VanDerWaalsContact CE2-CD2 3.42Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.42Å; F359-H368 AromaticContact CE2-CG 3.71Å; F359-H368 HydrophobicContact CZ-CB 3.56Å; F359-H368 AromaticContact CZ-CD2 3.44Å; F359-H368 VanDerWaalsContact CZ-CD2 3.44Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.33Å; F359-H368 AromaticContact CZ-CG 3.32Å; F359-H368 AromaticContact CZ-ND1 3.91Å; A364-H368 VanDerWaalsContact O-CB 3.3Å; A364-H368 WeakPolarHBondContact O-CB 3.37Å; A364-H368 PolarHBondContact O-N 3.15Å; A364-H368 VanDerWaalsContact O-N 3.09Å; L365-H368 CarbonylContact O-C 3.52Å; L365-H368 WeakPolarHBondContact O-CA 3.45Å; L365-H368 WeakPolarHBondContact O-CB 3.28Å; L365-H368 PolarHBondContact O-N 2.81Å; L366-H368 PolarHBondContact O-N 3.02Å; H368-D370 VanDerWaalsContact C-N 3.3Å; H368-D370 PolarHBondContact O-N 2.79Å; H368-I371 VanDerWaalsContact O-CB 3.25Å; H368-I371 WeakPolarHBondContact O-CB 3.43Å; H368-I371 WeakPolarHBondContact O-CG1 3.08Å; H368-I371 PolarHBondContact O-N 2.95Å; H368-H372 AromaticContact CD2-NE2 3.58Å; H368-H372 AromaticContact CE1-NE2 3.6Å; H368-H372 AromaticContact NE2-CD2 3.99Å; H368-H372 AromaticContact NE2-CE1 3.75Å; H368-H372 AromaticContact NE2-NE2 3.01Å; H368-H372 PolarHBondContact NE2-NE2 3.29Å
369	Q	76.5	Confident	76.6	Confident	57 Å²	57	75.2 Å²	75.2	27%	0.266	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-33.3	174	-72.3	167.6	-43.3	0	0	112	L365 L366 I371 H372 N373	L365-Q369 HydrophobicContact CD1-CG 4.09Å; L365-Q369 WeakPolarHBondContact O-CG 3.35Å; L365-Q369 PolarHBondContact O-N 2.83Å; L366-Q369 WeakPolarHBondContact O-CB 3.46Å; L366-Q369 PolarHBondContact O-N 3.12Å; Q369-I371 PolarHBondContact O-N 2.96Å; Q369-I371 VanDerWaalsContact O-N 3.11Å; Q369-H372 PolarHBondContact O-N 3.47Å; Q369-H372 VanDerWaalsContact O-N 3.12Å; Q369-N373 PolarHBondContact O-N 2.97Å
370	D	77.6	Confident	76.8	Confident	14 Å²	14	73.3 Å²	73.3	8%	0.075	35%	0.354	C	S	.	.	H	α-helix	trans	-53.6	-28.5	168.7	-71.9	-47.3	0	0	0	113	L366 H368 K374 V375 R377	L366-D370 PolarHBondContact O-N 3.07Å; L366-D370 VanDerWaalsContact O-N 3.16Å; H368-D370 VanDerWaalsContact C-N 3.3Å; H368-D370 PolarHBondContact O-N 2.79Å; D370-K374 CarbonylContact O-C 3.53Å; D370-K374 WeakPolarHBondContact O-CA 3.48Å; D370-K374 PolarHBondContact O-N 3.41Å; D370-K374 VanDerWaalsContact O-N 3.1Å; D370-V375 PolarHBondContact O-N 2.98Å; D370-R377 IonicContact OD1-CZ 3.11Å; D370-R377 IonicContact OD1-NE 3.48Å; D370-R377 IonicContact OD1-NH2 3.9Å; D370-R377 PolarHBondContact OD1-NH2 3.29Å; D370-R377 IonicContact OD2-NH2 3.18Å; D370-R377 PolarHBondContact OD2-NH2 3.45Å
371	I	73	Confident	77	Confident	104 Å²	104	82.2 Å²	82.2	53%	0.533	39%	0.39	S	S	.	.	H	α-helix	trans	-73.4	-43.2	178.9	-51.1	-178	0	0	0	111	H368 Q369 K374	H368-I371 VanDerWaalsContact O-CB 3.25Å; H368-I371 WeakPolarHBondContact O-CB 3.43Å; H368-I371 WeakPolarHBondContact O-CG1 3.08Å; H368-I371 PolarHBondContact O-N 2.95Å; Q369-I371 PolarHBondContact O-N 2.96Å; Q369-I371 VanDerWaalsContact O-N 3.11Å; I371-K374 PolarHBondContact O-N 3.02Å
372	H	73.4	Confident	77.2	Confident	64 Å²	64	84.5 Å²	84.5	30%	0.296	40%	0.403	S	S	.	.	H	α-helix	trans	-69.4	-45.8	178.4	-62.2	-57.5	0	0	0	111.5	C352 V354 C355 H368 Q369 K374	C352-H372 VanDerWaalsContact SG-CD2 3.54Å; C352-H372 PolarHBondContact SG-NE2 3.24Å; V354-H372 HydrophobicContact CG1-CB 4.11Å; C355-H372 PolarHBondContact SG-NE2 3.43Å; H368-H372 AromaticContact CD2-NE2 3.58Å; H368-H372 AromaticContact CE1-NE2 3.6Å; H368-H372 AromaticContact NE2-CD2 3.99Å; H368-H372 AromaticContact NE2-CE1 3.75Å; H368-H372 AromaticContact NE2-NE2 3.01Å; H368-H372 PolarHBondContact NE2-NE2 3.29Å; Q369-H372 PolarHBondContact O-N 3.47Å; Q369-H372 VanDerWaalsContact O-N 3.12Å; H372-K374 PolarHBondContact O-N 2.97Å
373	N	68	Low	77.6	Confident	107 Å²	107	79.7 Å²	79.7	57%	0.572	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.4	178.5	-60	-7	0	0	0	112.1	Q369 V375	Q369-N373 PolarHBondContact O-N 2.97Å; N373-V375 HydrophobicContact CB-CB 4.17Å; N373-V375 HydrophobicContact CB-CG2 3.65Å; N373-V375 PolarHBondContact O-N 3.43Å; N373-V375 VanDerWaalsContact O-N 3.09Å
374	K	67.4	Low	77.7	Confident	172 Å²	172	78.3 Å²	78.3	75%	0.748	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	18.7	-170.9	-56.7	172.6	-174.8	168.6	0	113.4	D370 I371 H372 K376	D370-K374 CarbonylContact O-C 3.53Å; D370-K374 WeakPolarHBondContact O-CA 3.48Å; D370-K374 PolarHBondContact O-N 3.41Å; D370-K374 VanDerWaalsContact O-N 3.1Å; I371-K374 PolarHBondContact O-N 3.02Å; H372-K374 PolarHBondContact O-N 2.97Å; K374-K376 PolarHBondContact O-N 3.13Å
375	V	68.3	Low	77.7	Confident	58 Å²	58	82.5 Å²	82.5	35%	0.352	40%	0.403	S	S	.	.			trans	-73.3	95.3	-175	166.7	0	0	0	0	109.4	D370 N373 R377	D370-V375 PolarHBondContact O-N 2.98Å; N373-V375 HydrophobicContact CB-CB 4.17Å; N373-V375 HydrophobicContact CB-CG2 3.65Å; N373-V375 PolarHBondContact O-N 3.43Å; N373-V375 VanDerWaalsContact O-N 3.09Å; V375-R377 HydrophobicContact CG1-CG 3.74Å
376	K	71.1	Confident	77.7	Confident	112 Å²	112	82.4 Å²	82.4	49%	0.487	41%	0.405	S	S	.	.			trans	-102.3	72.9	-179.2	-72.6	166.8	156.1	-131.3	0	110	K374 Y378 H379 A386 F387	K374-K376 PolarHBondContact O-N 3.13Å; K376-Y378 PolarHBondContact O-N 3.03Å; K376-H379 PolarHBondContact O-CE1 2.86Å; K376-H379 PolarHBondContact O-ND1 2.92Å; K376-A386 HydrophobicContact CB-CB 3.59Å; K376-A386 HydrophobicContact CD-CB 4.11Å; K376-A386 WeakPolarHBondContact CD-O 3.35Å; K376-A386 WeakPolarHBondContact CE-O 3.21Å; K376-A386 HydrophobicContact CG-CB 4.43Å; K376-A386 PolarHBondContact NZ-O 3.09Å; K376-F387 CarbonylContact C-O 3.57Å; K376-F387 VanDerWaalsContact CA-O 3.31Å; K376-F387 WeakPolarHBondContact CA-O 3.42Å
377	R	74.6	Confident	77.7	Confident	137 Å²	137	80.9 Å²	80.9	52%	0.517	39%	0.394	S	S	.	.			trans	-55.9	-34.8	-174.2	-74.5	175.6	-94	-173.3	-4.6	113.6	D370 V375 H379 F387	D370-R377 IonicContact OD1-CZ 3.11Å; D370-R377 IonicContact OD1-NE 3.48Å; D370-R377 IonicContact OD1-NH2 3.9Å; D370-R377 PolarHBondContact OD1-NH2 3.29Å; D370-R377 IonicContact OD2-NH2 3.18Å; D370-R377 PolarHBondContact OD2-NH2 3.45Å; V375-R377 HydrophobicContact CG1-CG 3.74Å; R377-H379 PolarHBondContact O-ND1 3.02Å; R377-F387 PolarHBondContact N-O 2.86Å
378	Y	80.3	Confident	77.9	Confident	73 Å²	73	81.5 Å²	81.5	29%	0.286	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105.6	-169.4	-57.7	-81.6	0	0	0	112	K376 A386 F387 S388 Q389 N390	K376-Y378 PolarHBondContact O-N 3.03Å; Y378-A386 CarbonylContact O-C 3.27Å; Y378-A386 WeakPolarHBondContact O-CA 3.5Å; Y378-F387 PolarHBondContact N-O 3.37Å; Y378-F387 PolarHBondContact O-N 2.81Å; Y378-S388 WeakPolarHBondContact CD2-O 3.45Å; Y378-S388 WeakPolarHBondContact CE2-O 3.26Å; Y378-Q389 VanDerWaalsContact CD2-C 3.43Å; Y378-N390 HydrophobicContact CD1-CB 3.65Å; Y378-N390 HydrophobicContact CD2-CB 4.47Å; Y378-N390 VanDerWaalsContact CD2-N 3.34Å; Y378-N390 HydrophobicContact CE1-CB 3.5Å; Y378-N390 VanDerWaalsContact CE1-CB 3.5Å; Y378-N390 HydrophobicContact CE2-CB 4.33Å; Y378-N390 HydrophobicContact CG-CB 4.15Å
379	H	82.4	Confident	77.9	Confident	118 Å²	118	84.9 Å²	84.9	55%	0.546	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135	-174.4	-68.2	78	0	0	0	112.7	K376 R377 K381 A386	K376-H379 PolarHBondContact O-CE1 2.86Å; K376-H379 PolarHBondContact O-ND1 2.92Å; R377-H379 PolarHBondContact O-ND1 3.02Å; H379-K381 PolarHBondContact O-N 3.01Å; H379-A386 VanDerWaalsContact CD2-CB 3.47Å; H379-A386 WeakPolarHBondContact CD2-CB 3.45Å
380	C	87.6	Confident	78.1	Confident	3 Å²	3	85.7 Å²	85.7	2%	0.02	42%	0.421	C	S	.	.			trans	-80.6	113.4	170.6	-179.4	0	0	0	0	111.2	E382 C383 G384 K385 L393 H396 H400	C380-E382 PolarHBondContact O-N 2.65Å; C380-C383 PolarHBondContact O-N 3.34Å; C380-G384 WeakPolarHBondContact O-CA 3.42Å; C380-G384 PolarHBondContact O-N 3.12Å; C380-K385 HydrophobicContact CB-CB 4.43Å; C380-K385 VanDerWaalsContact CB-O 3.26Å; C380-K385 WeakPolarHBondContact CB-O 3.44Å; C380-K385 PolarHBondContact N-O 3.15Å; C380-L393 HydrophobicContact CB-CD1 3.82Å; C380-H396 PolarHBondContact SG-NE2 3.43Å; C380-H396 VanDerWaalsContact SG-NE2 3.42Å; C380-H400 PolarHBondContact SG-NE2 3.39Å
381	K	83.6	Confident	78.4	Confident	215 Å²	215	89.2 Å²	89.2	94%	0.935	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.1	177.7	-65.7	-173.3	175.8	-173.7	0	113.5	H379	H379-K381 PolarHBondContact O-N 3.01Å
382	E	84.3	Confident	78.9	Confident	119 Å²	119	85.3 Å²	85.3	56%	0.556	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-23.4	-173.3	-63.8	175.5	-95.3	0	0	115.1	C380 H400	C380-E382 PolarHBondContact O-N 2.65Å; E382-H400 WeakPolarHBondContact OE1-CB 3.37Å; E382-H400 IonicContact OE1-CD2 3.46Å; E382-H400 PolarHBondContact OE1-CD2 3Å; E382-H400 IonicContact OE1-CG 3.36Å; E382-H400 WeakPolarHBondContact OE2-CB 3.49Å; E382-H400 IonicContact OE2-CG 2.72Å
383	C	85.4	Confident	79.5	Confident	50 Å²	50	83 Å²	83	34%	0.338	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.8	17.4	179.7	72	0	0	0	0	115.2	C380 K385 H396 H400	C380-C383 PolarHBondContact O-N 3.34Å; C383-K385 PolarHBondContact O-N 3.16Å; C383-H396 PolarHBondContact SG-NE2 3.29Å; C383-H400 WeakPolarHBondContact CB-CE1 3.42Å; C383-H400 PolarHBondContact SG-CE1 3.3Å; C383-H400 PolarHBondContact SG-NE2 3.45Å
384	G	81.2	Confident	80.3	Confident	56 Å²	56	81.6 Å²	81.6	58%	0.577	41%	0.41	S	S	*	.			trans	66.7	-3.2	175.7	0	0	0	0	0	116	C380 A386	C380-G384 WeakPolarHBondContact O-CA 3.42Å; C380-G384 PolarHBondContact O-N 3.12Å; G384-A386 PolarHBondContact O-N 3.29Å
385	K	80.4	Confident	81.2	Confident	122 Å²	122	76.2 Å²	76.2	53%	0.53	39%	0.388	S	S	.	.			trans	-65.1	122.4	-178.8	-72.5	177	-172.5	162.8	0	110.6	C380 C383 F387	C380-K385 HydrophobicContact CB-CB 4.43Å; C380-K385 VanDerWaalsContact CB-O 3.26Å; C380-K385 WeakPolarHBondContact CB-O 3.44Å; C380-K385 PolarHBondContact N-O 3.15Å; C383-K385 PolarHBondContact O-N 3.16Å; K385-F387 HydrophobicContact CB-CE2 3.87Å; K385-F387 HydrophobicContact CB-CZ 4.11Å; K385-F387 WeakPolarHBondContact O-CD2 3.22Å; K385-F387 WeakPolarHBondContact O-CE2 3.34Å
386	A	82.1	Confident	82.1	Confident	16 Å²	16	74.1 Å²	74.1	13%	0.132	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.9	-177	0	0	0	0	0	112.4	K376 Y378 H379 G384	K376-A386 HydrophobicContact CB-CB 3.59Å; K376-A386 HydrophobicContact CD-CB 4.11Å; K376-A386 WeakPolarHBondContact CD-O 3.35Å; K376-A386 WeakPolarHBondContact CE-O 3.21Å; K376-A386 HydrophobicContact CG-CB 4.43Å; K376-A386 PolarHBondContact NZ-O 3.09Å; Y378-A386 CarbonylContact O-C 3.27Å; Y378-A386 WeakPolarHBondContact O-CA 3.5Å; H379-A386 VanDerWaalsContact CD2-CB 3.47Å; H379-A386 WeakPolarHBondContact CD2-CB 3.45Å; G384-A386 PolarHBondContact O-N 3.29Å
387	F	81	Confident	82.8	Confident	55 Å²	55	72.4 Å²	72.4	24%	0.241	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.9	-171.1	-59	-94.2	0	0	0	111	K376 R377 Y378 K385 L393 H396	K376-F387 CarbonylContact C-O 3.57Å; K376-F387 VanDerWaalsContact CA-O 3.31Å; K376-F387 WeakPolarHBondContact CA-O 3.42Å; R377-F387 PolarHBondContact N-O 2.86Å; Y378-F387 PolarHBondContact N-O 3.37Å; Y378-F387 PolarHBondContact O-N 2.81Å; K385-F387 HydrophobicContact CB-CE2 3.87Å; K385-F387 HydrophobicContact CB-CZ 4.11Å; K385-F387 WeakPolarHBondContact O-CD2 3.22Å; K385-F387 WeakPolarHBondContact O-CE2 3.34Å; F387-L393 HydrophobicContact CD2-CB 4.2Å; F387-L393 HydrophobicContact CD2-CD1 4.22Å; F387-L393 HydrophobicContact CE2-CD1 4.38Å; F387-H396 HydrophobicContact CE1-CB 4.07Å; F387-H396 HydrophobicContact CE2-CB 3.88Å; F387-H396 AromaticContact CE2-CD2 3.32Å; F387-H396 WeakPolarHBondContact CE2-CD2 3.49Å; F387-H396 AromaticContact CE2-CG 3.74Å; F387-H396 HydrophobicContact CZ-CB 3.46Å; F387-H396 VanDerWaalsContact CZ-CB 3.46Å; F387-H396 AromaticContact CZ-CD2 3.42Å; F387-H396 VanDerWaalsContact CZ-CD2 3.42Å; F387-H396 WeakPolarHBondContact CZ-CD2 3.37Å; F387-H396 AromaticContact CZ-CG 3.37Å
388	S	78.7	Confident	83.5	Confident	37 Å²	37	68.7 Å²	68.7	26%	0.259	35%	0.354	S	S	.	.	S	Bend	trans	-78.5	-26.8	174.6	48.4	0	0	0	0	113.4	Y378	Y378-S388 WeakPolarHBondContact CD2-O 3.45Å; Y378-S388 WeakPolarHBondContact CE2-O 3.26Å
389	Q	79.4	Confident	83.8	Confident	94 Å²	94	71 Å²	71	44%	0.439	37%	0.371	S	S	.	.	S	Bend	trans	-118.9	140.5	179	-59.9	-177	-2.8	0	0	111.9	S367 Y378 T391 G392 L393	S367-Q389 PolarHBondContact OG-NE2 3.24Å; Y378-Q389 VanDerWaalsContact CD2-C 3.43Å; Q389-T391 VanDerWaalsContact C-N 3.27Å; Q389-T391 WeakPolarHBondContact CB-OG1 3.18Å; Q389-T391 PolarHBondContact O-N 3.14Å; Q389-T391 PolarHBondContact OE1-OG1 2.96Å; Q389-T391 VanDerWaalsContact OE1-OG1 3.06Å; Q389-G392 WeakPolarHBondContact O-CA 3.49Å; Q389-G392 PolarHBondContact O-N 2.21Å; Q389-L393 PolarHBondContact O-N 3.01Å
390	N	81.3	Confident	84	Confident	74 Å²	74	68.8 Å²	68.8	40%	0.396	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-36.7	175.7	-163.5	22.2	0	0	0	112.6	Y378 G392 L393 I394	Y378-N390 HydrophobicContact CD1-CB 3.65Å; Y378-N390 HydrophobicContact CD2-CB 4.47Å; Y378-N390 VanDerWaalsContact CD2-N 3.34Å; Y378-N390 HydrophobicContact CE1-CB 3.5Å; Y378-N390 VanDerWaalsContact CE1-CB 3.5Å; Y378-N390 HydrophobicContact CE2-CB 4.33Å; Y378-N390 HydrophobicContact CG-CB 4.15Å; N390-G392 PolarHBondContact O-N 3.2Å; N390-L393 WeakPolarHBondContact O-CB 3.42Å; N390-L393 PolarHBondContact O-N 3.03Å; N390-I394 WeakPolarHBondContact O-CG1 3.36Å; N390-I394 PolarHBondContact O-N 2.73Å
391	T	83.1	Confident	83.9	Confident	88 Å²	88	72.6 Å²	72.6	54%	0.54	38%	0.384	S	S	.	.	H	α-helix	trans	-55	-36.4	173	48.4	0	0	0	0	112.5	Q389 L395	Q389-T391 VanDerWaalsContact C-N 3.27Å; Q389-T391 WeakPolarHBondContact CB-OG1 3.18Å; Q389-T391 PolarHBondContact O-N 3.14Å; Q389-T391 PolarHBondContact OE1-OG1 2.96Å; Q389-T391 VanDerWaalsContact OE1-OG1 3.06Å; T391-L395 WeakPolarHBondContact O-CB 3.46Å; T391-L395 PolarHBondContact O-N 3.3Å; T391-L395 VanDerWaalsContact O-N 3.08Å
392	G	83.4	Confident	84	Confident	21 Å²	21	64.1 Å²	64.1	22%	0.216	36%	0.357	C	S	.	.	H	α-helix	trans	-70.2	-38.9	174.6	0	0	0	0	0	112.9	Q389 N390 H396	Q389-G392 WeakPolarHBondContact O-CA 3.49Å; Q389-G392 PolarHBondContact O-N 2.21Å; N390-G392 PolarHBondContact O-N 3.2Å; G392-H396 VanDerWaalsContact O-CB 3.26Å; G392-H396 WeakPolarHBondContact O-CB 3.38Å; G392-H396 PolarHBondContact O-N 3.25Å
393	L	85.9	Confident	84.2	Confident	17 Å²	17	63.2 Å²	63.2	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-66	-49.7	174.6	174.5	60	0	0	0	111.6	C380 F387 Q389 N390 L395 H396 Q397	C380-L393 HydrophobicContact CB-CD1 3.82Å; F387-L393 HydrophobicContact CD2-CB 4.2Å; F387-L393 HydrophobicContact CD2-CD1 4.22Å; F387-L393 HydrophobicContact CE2-CD1 4.38Å; Q389-L393 PolarHBondContact O-N 3.01Å; N390-L393 WeakPolarHBondContact O-CB 3.42Å; N390-L393 PolarHBondContact O-N 3.03Å; L393-L395 VanDerWaalsContact C-N 3.32Å; L393-L395 PolarHBondContact O-N 3.21Å; L393-H396 CarbonylContact O-C 3.18Å; L393-H396 WeakPolarHBondContact O-CA 3.27Å; L393-H396 WeakPolarHBondContact O-CB 3.39Å; L393-H396 PolarHBondContact O-N 3.41Å; L393-Q397 HydrophobicContact CD1-CG 4.21Å; L393-Q397 WeakPolarHBondContact O-CG 3.38Å; L393-Q397 PolarHBondContact O-N 2.94Å
394	I	85.3	Confident	84.4	Confident	77 Å²	77	66.6 Å²	66.6	40%	0.395	36%	0.362	S	S	.	.	H	α-helix	trans	-59.2	-44.3	178.5	-65.4	165.6	0	0	0	110.8	N390 H396 Q397 R398	N390-I394 WeakPolarHBondContact O-CG1 3.36Å; N390-I394 PolarHBondContact O-N 2.73Å; I394-H396 VanDerWaalsContact C-N 3.27Å; I394-H396 PolarHBondContact O-N 2.84Å; I394-Q397 PolarHBondContact O-N 2.91Å; I394-R398 PolarHBondContact O-N 3.43Å
395	L	86.7	Confident	84.7	Confident	58 Å²	58	67.4 Å²	67.4	30%	0.304	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-33.2	174.7	174.8	59.1	0	0	0	112.6	T391 L393 Q417	T391-L395 WeakPolarHBondContact O-CB 3.46Å; T391-L395 PolarHBondContact O-N 3.3Å; T391-L395 VanDerWaalsContact O-N 3.08Å; L393-L395 VanDerWaalsContact C-N 3.32Å; L393-L395 PolarHBondContact O-N 3.21Å; L395-Q417 HydrophobicContact CD1-CG 3.48Å; L395-Q417 VanDerWaalsContact CD1-CG 3.48Å; L395-Q417 HydrophobicContact CD2-CG 4.36Å
396	H	86.8	Confident	85.2	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.065	35%	0.347	C	S	.	.	H	α-helix	trans	-74.2	-36.7	176	172.7	45.3	0	0	0	112.7	C380 C383 F387 G392 L393 I394 R398 I399 H400	C380-H396 PolarHBondContact SG-NE2 3.43Å; C380-H396 VanDerWaalsContact SG-NE2 3.42Å; C383-H396 PolarHBondContact SG-NE2 3.29Å; F387-H396 HydrophobicContact CE1-CB 4.07Å; F387-H396 HydrophobicContact CE2-CB 3.88Å; F387-H396 AromaticContact CE2-CD2 3.32Å; F387-H396 WeakPolarHBondContact CE2-CD2 3.49Å; F387-H396 AromaticContact CE2-CG 3.74Å; F387-H396 HydrophobicContact CZ-CB 3.46Å; F387-H396 VanDerWaalsContact CZ-CB 3.46Å; F387-H396 AromaticContact CZ-CD2 3.42Å; F387-H396 VanDerWaalsContact CZ-CD2 3.42Å; F387-H396 WeakPolarHBondContact CZ-CD2 3.37Å; F387-H396 AromaticContact CZ-CG 3.37Å; G392-H396 VanDerWaalsContact O-CB 3.26Å; G392-H396 WeakPolarHBondContact O-CB 3.38Å; G392-H396 PolarHBondContact O-N 3.25Å; L393-H396 CarbonylContact O-C 3.18Å; L393-H396 WeakPolarHBondContact O-CA 3.27Å; L393-H396 WeakPolarHBondContact O-CB 3.39Å; L393-H396 PolarHBondContact O-N 3.41Å; I394-H396 VanDerWaalsContact C-N 3.27Å; I394-H396 PolarHBondContact O-N 2.84Å; H396-R398 PolarHBondContact O-N 3.13Å; H396-I399 VanDerWaalsContact O-CB 3.22Å; H396-I399 WeakPolarHBondContact O-CB 3.4Å; H396-I399 WeakPolarHBondContact O-CG1 3.49Å; H396-I399 PolarHBondContact O-N 2.91Å; H396-H400 AromaticContact CD2-NE2 3.38Å; H396-H400 PolarHBondContact CD2-NE2 3.4Å; H396-H400 AromaticContact CE1-NE2 2.92Å; H396-H400 PolarHBondContact CE1-NE2 3.26Å; H396-H400 AromaticContact ND1-NE2 3.94Å; H396-H400 AromaticContact NE2-NE2 2.46Å; H396-H400 PolarHBondContact NE2-NE2 3.37Å
397	Q	86.1	Confident	85.6	Confident	77 Å²	77	70.2 Å²	70.2	36%	0.36	37%	0.367	S	S	.	.	H	α-helix	trans	-58.3	-32.3	176.5	-74.3	170	-60.9	0	0	112.2	L393 I394 I399 H400 T401	L393-Q397 HydrophobicContact CD1-CG 4.21Å; L393-Q397 WeakPolarHBondContact O-CG 3.38Å; L393-Q397 PolarHBondContact O-N 2.94Å; I394-Q397 PolarHBondContact O-N 2.91Å; Q397-I399 PolarHBondContact O-N 3.14Å; Q397-H400 PolarHBondContact O-N 3.44Å; Q397-T401 PolarHBondContact O-N 3.34Å
398	R	88.8	Confident	86.1	Confident	58 Å²	58	67.6 Å²	67.6	22%	0.219	36%	0.355	C	S	.	.	H	α-helix	trans	-61	-12.8	171.2	-63.7	-170.9	175.5	148.6	9.1	115.2	I394 H396 G402 E403 S416	I394-R398 PolarHBondContact O-N 3.43Å; H396-R398 PolarHBondContact O-N 3.13Å; R398-G402 CarbonylContact O-C 3.14Å; R398-G402 WeakPolarHBondContact O-CA 3.25Å; R398-G402 PolarHBondContact O-N 3.48Å; R398-E403 HydrophobicContact CB-CB 4.18Å; R398-E403 HydrophobicContact CG-CB 3.91Å; R398-E403 IonicContact NE-OE2 3.06Å; R398-E403 PolarHBondContact O-N 3.27Å; R398-S416 PolarHBondContact NH1-O 3.05Å
399	I	86.4	Confident	86.6	Confident	122 Å²	122	73.4 Å²	73.4	63%	0.626	38%	0.384	S	S	*	.	H	α-helix	trans	-78.2	-33	171.6	-56.8	-177.1	0	0	0	110.5	H396 Q397	H396-I399 VanDerWaalsContact O-CB 3.22Å; H396-I399 WeakPolarHBondContact O-CB 3.4Å; H396-I399 WeakPolarHBondContact O-CG1 3.49Å; H396-I399 PolarHBondContact O-N 2.91Å; Q397-I399 PolarHBondContact O-N 3.14Å
400	H	86.9	Confident	87.1	Confident	72 Å²	72	75.7 Å²	75.7	33%	0.333	39%	0.394	S	S	.	.	H	α-helix	trans	-85.7	-50.4	178.8	-55.2	-65.3	0	0	0	111.9	C380 E382 C383 H396 Q397 G402	C380-H400 PolarHBondContact SG-NE2 3.39Å; E382-H400 WeakPolarHBondContact OE1-CB 3.37Å; E382-H400 IonicContact OE1-CD2 3.46Å; E382-H400 PolarHBondContact OE1-CD2 3Å; E382-H400 IonicContact OE1-CG 3.36Å; E382-H400 WeakPolarHBondContact OE2-CB 3.49Å; E382-H400 IonicContact OE2-CG 2.72Å; C383-H400 WeakPolarHBondContact CB-CE1 3.42Å; C383-H400 PolarHBondContact SG-CE1 3.3Å; C383-H400 PolarHBondContact SG-NE2 3.45Å; H396-H400 AromaticContact CD2-NE2 3.38Å; H396-H400 PolarHBondContact CD2-NE2 3.4Å; H396-H400 AromaticContact CE1-NE2 2.92Å; H396-H400 PolarHBondContact CE1-NE2 3.26Å; H396-H400 AromaticContact ND1-NE2 3.94Å; H396-H400 AromaticContact NE2-NE2 2.46Å; H396-H400 PolarHBondContact NE2-NE2 3.37Å; Q397-H400 PolarHBondContact O-N 3.44Å; H400-G402 PolarHBondContact O-N 3.14Å; H400-G402 VanDerWaalsContact O-N 3.14Å
401	T	86.1	Confident	87.5	Confident	83 Å²	83	74.4 Å²	74.4	51%	0.509	39%	0.39	S	S	.	.	S	Bend	trans	-68.2	-12	175.9	68.4	0	0	0	0	113.2	Q397 E403	Q397-T401 PolarHBondContact O-N 3.34Å; T401-E403 PolarHBondContact O-N 3.11Å; T401-E403 VanDerWaalsContact O-N 3.15Å; T401-E403 WeakPolarHBondContact OG1-CB 3.48Å; T401-E403 WeakPolarHBondContact OG1-CG 3.44Å; T401-E403 PolarHBondContact OG1-N 2.66Å; T401-E403 PolarHBondContact OG1-OE1 3.22Å
402	G	85.6	Confident	87.7	Confident	37 Å²	37	72.2 Å²	72.2	38%	0.381	39%	0.385	S	S	.	.			trans	70.9	0.2	-176.9	0	0	0	0	0	114.6	R398 H400 K404	R398-G402 CarbonylContact O-C 3.14Å; R398-G402 WeakPolarHBondContact O-CA 3.25Å; R398-G402 PolarHBondContact O-N 3.48Å; H400-G402 PolarHBondContact O-N 3.14Å; H400-G402 VanDerWaalsContact O-N 3.14Å; G402-K404 WeakPolarHBondContact O-CE 3.4Å; G402-K404 WeakPolarHBondContact O-CG 3.29Å; G402-K404 PolarHBondContact O-N 3.33Å
403	E	87.1	Confident	88	Confident	99 Å²	99	77.2 Å²	77.2	46%	0.463	40%	0.401	S	S	.	.			trans	-52.9	125.4	-176	-89.3	176.5	-138.9	0	0	113.7	R398 T401	R398-E403 HydrophobicContact CB-CB 4.18Å; R398-E403 HydrophobicContact CG-CB 3.91Å; R398-E403 IonicContact NE-OE2 3.06Å; R398-E403 PolarHBondContact O-N 3.27Å; T401-E403 PolarHBondContact O-N 3.11Å; T401-E403 VanDerWaalsContact O-N 3.15Å; T401-E403 WeakPolarHBondContact OG1-CB 3.48Å; T401-E403 WeakPolarHBondContact OG1-CG 3.44Å; T401-E403 PolarHBondContact OG1-N 2.66Å; T401-E403 PolarHBondContact OG1-OE1 3.22Å
404	K	89.1	Confident	88.2	Confident	121 Å²	121	78.2 Å²	78.2	53%	0.526	41%	0.412	S	S	.	.			trans	-133.2	76	177.4	-71	159.8	-161.4	165.6	0	110.1	G402 Y406 A414 F415	G402-K404 WeakPolarHBondContact O-CE 3.4Å; G402-K404 WeakPolarHBondContact O-CG 3.29Å; G402-K404 PolarHBondContact O-N 3.33Å; K404-Y406 PolarHBondContact O-N 3.12Å; K404-A414 HydrophobicContact CB-CB 3.5Å; K404-A414 HydrophobicContact CD-CB 4.38Å; K404-A414 HydrophobicContact CG-CB 4.49Å; K404-F415 CarbonylContact C-O 3.53Å; K404-F415 VanDerWaalsContact CA-O 3.25Å; K404-F415 WeakPolarHBondContact CA-O 3.25Å
405	P	87.9	Confident	88.3	Confident	74 Å²	74	77.1 Å²	77.1	48%	0.481	40%	0.404	S	S	.	.			trans	-64.2	-12.6	-172.2	-23.6	35.5	0	0	0	115.2
406	Y	90.6	Very high	88.4	Confident	80 Å²	80	76 Å²	76	31%	0.314	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	89.1	-173.3	-53	-76.9	0	0	0	110.3	K404 A414 F415 S418	K404-Y406 PolarHBondContact O-N 3.12Å; Y406-A414 WeakPolarHBondContact O-CA 3.24Å; Y406-F415 WeakPolarHBondContact CD2-O 3.43Å; Y406-F415 PolarHBondContact N-O 3.1Å; Y406-F415 VanDerWaalsContact N-O 3.13Å; Y406-F415 PolarHBondContact O-N 3.46Å; Y406-S418 VanDerWaalsContact CD2-N 3.27Å
407	Q	90.5	Very high	88.4	Confident	116 Å²	116	79.7 Å²	79.7	54%	0.542	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144.8	-179.8	-162.2	171.9	23	0	0	113	G412 A414 L421	Q407-G412 WeakPolarHBondContact CG-O 3.38Å; Q407-G412 PolarHBondContact NE2-O 3.26Å; Q407-A414 HydrophobicContact CB-CB 4.37Å; Q407-A414 HydrophobicContact CG-CB 4.27Å; Q407-L421 WeakPolarHBondContact O-CD2 3.46Å
408	C	92.6	Very high	88.5	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.007	42%	0.417	C	S	.	.			trans	-93	107.1	172.5	-175.4	0	0	0	0	111.2	Q410 C411 G412 K413 L421 H428	C408-Q410 PolarHBondContact O-N 3.23Å; C408-C411 PolarHBondContact O-N 3.04Å; C408-C411 VanDerWaalsContact O-N 3.15Å; C408-G412 WeakPolarHBondContact O-CA 3.28Å; C408-G412 PolarHBondContact O-N 2.92Å; C408-K413 VanDerWaalsContact CB-O 3.24Å; C408-K413 WeakPolarHBondContact CB-O 3.21Å; C408-K413 PolarHBondContact N-O 3.04Å; C408-L421 HydrophobicContact CB-CD1 3.6Å; C408-H428 PolarHBondContact SG-NE2 3.33Å
409	N	89.6	Confident	88.3	Confident	159 Å²	159	78.3 Å²	78.3	85%	0.85	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.5	-178.8	-57.4	11.8	0	0	0	113.9
410	Q	88.2	Confident	88.3	Confident	142 Å²	142	73.6 Å²	73.6	66%	0.664	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-17.4	-177.3	-59.8	-167.4	26.2	0	0	114.7	C408	C408-Q410 PolarHBondContact O-N 3.23Å
411	C	90.4	Very high	88.5	Confident	47 Å²	47	71.2 Å²	71.2	32%	0.318	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.8	14.9	-178.7	70.1	0	0	0	0	115.1	C408 K413 H424 H428	C408-C411 PolarHBondContact O-N 3.04Å; C408-C411 VanDerWaalsContact O-N 3.15Å; C411-K413 PolarHBondContact O-N 2.97Å; C411-H424 PolarHBondContact SG-NE2 3.2Å; C411-H428 WeakPolarHBondContact CB-CE1 3.49Å; C411-H428 PolarHBondContact SG-CE1 2.73Å; C411-H428 PolarHBondContact SG-NE2 2.89Å
412	G	87.4	Confident	88.5	Confident	42 Å²	42	71.1 Å²	71.1	43%	0.433	40%	0.397	S	S	.	.			trans	68.4	-12.2	178.5	0	0	0	0	0	116.1	Q407 C408 A414	Q407-G412 WeakPolarHBondContact CG-O 3.38Å; Q407-G412 PolarHBondContact NE2-O 3.26Å; C408-G412 WeakPolarHBondContact O-CA 3.28Å; C408-G412 PolarHBondContact O-N 2.92Å; G412-A414 PolarHBondContact O-N 2.88Å
413	K	89.9	Confident	88.6	Confident	126 Å²	126	72 Å²	72	55%	0.548	39%	0.393	S	S	.	.			trans	-63.6	126.7	-176.6	-70.2	178.5	-177	170.4	0	111.6	C408 C411 F415	C408-K413 VanDerWaalsContact CB-O 3.24Å; C408-K413 WeakPolarHBondContact CB-O 3.21Å; C408-K413 PolarHBondContact N-O 3.04Å; C411-K413 PolarHBondContact O-N 2.97Å; K413-F415 HydrophobicContact CB-CE2 4.09Å; K413-F415 HydrophobicContact CB-CZ 4.31Å; K413-F415 WeakPolarHBondContact O-CE2 3.44Å
414	A	90.1	Very high	88.7	Confident	38 Å²	38	68 Å²	68	31%	0.314	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.2	-177.8	0	0	0	0	0	112.6	K404 Y406 Q407 G412	K404-A414 HydrophobicContact CB-CB 3.5Å; K404-A414 HydrophobicContact CD-CB 4.38Å; K404-A414 HydrophobicContact CG-CB 4.49Å; Y406-A414 WeakPolarHBondContact O-CA 3.24Å; Q407-A414 HydrophobicContact CB-CB 4.37Å; Q407-A414 HydrophobicContact CG-CB 4.27Å; G412-A414 PolarHBondContact O-N 2.88Å
415	F	88.3	Confident	88.6	Confident	53 Å²	53	66.2 Å²	66.2	23%	0.232	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.7	-176.5	-59.5	-92.5	0	0	0	111	K404 Y406 K413 Q417 L421 H424	K404-F415 CarbonylContact C-O 3.53Å; K404-F415 VanDerWaalsContact CA-O 3.25Å; K404-F415 WeakPolarHBondContact CA-O 3.25Å; Y406-F415 WeakPolarHBondContact CD2-O 3.43Å; Y406-F415 PolarHBondContact N-O 3.1Å; Y406-F415 VanDerWaalsContact N-O 3.13Å; Y406-F415 PolarHBondContact O-N 3.46Å; K413-F415 HydrophobicContact CB-CE2 4.09Å; K413-F415 HydrophobicContact CB-CZ 4.31Å; K413-F415 WeakPolarHBondContact O-CE2 3.44Å; F415-Q417 VanDerWaalsContact C-N 3.28Å; F415-L421 HydrophobicContact CD2-CB 4.06Å; F415-L421 HydrophobicContact CD2-CD1 4.11Å; F415-L421 HydrophobicContact CE2-CD1 4.32Å; F415-L421 HydrophobicContact CG-CB 4.48Å; F415-H424 HydrophobicContact CE1-CB 4.04Å; F415-H424 HydrophobicContact CE2-CB 3.8Å; F415-H424 AromaticContact CE2-CD2 3.36Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.46Å; F415-H424 AromaticContact CE2-CG 3.65Å; F415-H424 HydrophobicContact CZ-CB 3.43Å; F415-H424 VanDerWaalsContact CZ-CB 3.43Å; F415-H424 AromaticContact CZ-CD2 3.49Å; F415-H424 VanDerWaalsContact CZ-CD2 3.49Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.24Å; F415-H424 AromaticContact CZ-CG 3.32Å
416	S	87	Confident	88.7	Confident	36 Å²	36	65 Å²	65	25%	0.252	35%	0.353	S	S	.	.	S	Bend	trans	-80.3	-7.4	175.9	55.1	0	0	0	0	113.8	R398	R398-S416 PolarHBondContact NH1-O 3.05Å
417	Q	87.8	Confident	88.6	Confident	91 Å²	91	67 Å²	67	43%	0.425	37%	0.368	S	S	.	.	S	Bend	trans	-136.7	140.3	179	-60	177.6	34.8	0	0	111.6	L395 F415 A419 G420 L421	L395-Q417 HydrophobicContact CD1-CG 3.48Å; L395-Q417 VanDerWaalsContact CD1-CG 3.48Å; L395-Q417 HydrophobicContact CD2-CG 4.36Å; F415-Q417 VanDerWaalsContact C-N 3.28Å; Q417-A419 PolarHBondContact O-N 2.91Å; Q417-G420 PolarHBondContact O-N 3.4Å; Q417-G420 VanDerWaalsContact O-N 3.12Å; Q417-L421 PolarHBondContact O-N 2.84Å
418	S	87.3	Confident	88.5	Confident	46 Å²	46	65 Å²	65	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-40.1	175.5	51.9	0	0	0	0	112.7	Y406 G420 L421 I422	Y406-S418 VanDerWaalsContact CD2-N 3.27Å; S418-G420 PolarHBondContact O-N 3.33Å; S418-L421 WeakPolarHBondContact O-CB 3.36Å; S418-L421 PolarHBondContact O-N 3.17Å; S418-L421 VanDerWaalsContact O-N 3.09Å; S418-I422 WeakPolarHBondContact O-CG1 3.44Å; S418-I422 PolarHBondContact O-N 3.18Å
419	A	85.1	Confident	88.3	Confident	59 Å²	59	68.1 Å²	68.1	49%	0.488	38%	0.38	S	S	.	.	H	α-helix	trans	-58.8	-35.2	174.8	0	0	0	0	0	112.3	Q417 L423	Q417-A419 PolarHBondContact O-N 2.91Å; A419-L423 WeakPolarHBondContact O-CB 3.06Å; A419-L423 PolarHBondContact O-N 3.32Å
420	G	87.2	Confident	88.2	Confident	24 Å²	24	62.9 Å²	62.9	25%	0.247	36%	0.364	C	S	.	.	H	α-helix	trans	-66.7	-40.1	174.2	0	0	0	0	0	112.7	Q417 S418 H424	Q417-G420 PolarHBondContact O-N 3.4Å; Q417-G420 VanDerWaalsContact O-N 3.12Å; S418-G420 PolarHBondContact O-N 3.33Å; G420-H424 VanDerWaalsContact O-CB 3.26Å; G420-H424 WeakPolarHBondContact O-CB 3.43Å; G420-H424 PolarHBondContact O-N 2.94Å
421	L	89.8	Confident	88.2	Confident	22 Å²	22	60.9 Å²	60.9	12%	0.115	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-48	174.4	173.6	61.2	0	0	0	111.9	Q407 C408 F415 Q417 S418 L423 H424 Q425	Q407-L421 WeakPolarHBondContact O-CD2 3.46Å; C408-L421 HydrophobicContact CB-CD1 3.6Å; F415-L421 HydrophobicContact CD2-CB 4.06Å; F415-L421 HydrophobicContact CD2-CD1 4.11Å; F415-L421 HydrophobicContact CE2-CD1 4.32Å; F415-L421 HydrophobicContact CG-CB 4.48Å; Q417-L421 PolarHBondContact O-N 2.84Å; S418-L421 WeakPolarHBondContact O-CB 3.36Å; S418-L421 PolarHBondContact O-N 3.17Å; S418-L421 VanDerWaalsContact O-N 3.09Å; L421-L423 VanDerWaalsContact C-N 3.31Å; L421-L423 PolarHBondContact O-N 3.47Å; L421-H424 CarbonylContact O-C 3.47Å; L421-H424 WeakPolarHBondContact O-CB 3.44Å; L421-H424 PolarHBondContact O-N 2.99Å; L421-H424 VanDerWaalsContact O-N 3.13Å; L421-Q425 HydrophobicContact CD1-CG 4.21Å; L421-Q425 WeakPolarHBondContact O-CG 3.46Å; L421-Q425 PolarHBondContact O-N 3.22Å
422	I	86.9	Confident	88.1	Confident	80 Å²	80	65.9 Å²	65.9	41%	0.41	37%	0.367	S	S	.	.	H	α-helix	trans	-59.3	-44.7	178.4	-65.7	164.3	0	0	0	110.5	S418 H424 Q425	S418-I422 WeakPolarHBondContact O-CG1 3.44Å; S418-I422 PolarHBondContact O-N 3.18Å; I422-H424 VanDerWaalsContact C-N 3.29Å; I422-H424 PolarHBondContact O-N 3.47Å; I422-Q425 PolarHBondContact O-N 3.15Å
423	L	87.4	Confident	88.2	Confident	56 Å²	56	67.5 Å²	67.5	29%	0.293	37%	0.37	S	S	.	.	H	α-helix	trans	-68.2	-30.1	178.8	-167	57.4	0	0	0	112.5	A419 L421 S444	A419-L423 WeakPolarHBondContact O-CB 3.06Å; A419-L423 PolarHBondContact O-N 3.32Å; L421-L423 VanDerWaalsContact C-N 3.31Å; L421-L423 PolarHBondContact O-N 3.47Å; L423-S444 WeakPolarHBondContact CD1-O 3.38Å
424	H	88.9	Confident	88.2	Confident	16 Å²	16	65.2 Å²	65.2	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-73.9	-35.7	171.7	173.1	53.6	0	0	0	113.1	C411 F415 G420 L421 I422 R426 I427 H428	C411-H424 PolarHBondContact SG-NE2 3.2Å; F415-H424 HydrophobicContact CE1-CB 4.04Å; F415-H424 HydrophobicContact CE2-CB 3.8Å; F415-H424 AromaticContact CE2-CD2 3.36Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.46Å; F415-H424 AromaticContact CE2-CG 3.65Å; F415-H424 HydrophobicContact CZ-CB 3.43Å; F415-H424 VanDerWaalsContact CZ-CB 3.43Å; F415-H424 AromaticContact CZ-CD2 3.49Å; F415-H424 VanDerWaalsContact CZ-CD2 3.49Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.24Å; F415-H424 AromaticContact CZ-CG 3.32Å; G420-H424 VanDerWaalsContact O-CB 3.26Å; G420-H424 WeakPolarHBondContact O-CB 3.43Å; G420-H424 PolarHBondContact O-N 2.94Å; L421-H424 CarbonylContact O-C 3.47Å; L421-H424 WeakPolarHBondContact O-CB 3.44Å; L421-H424 PolarHBondContact O-N 2.99Å; L421-H424 VanDerWaalsContact O-N 3.13Å; I422-H424 VanDerWaalsContact C-N 3.29Å; I422-H424 PolarHBondContact O-N 3.47Å; H424-R426 PolarHBondContact O-N 3.05Å; H424-I427 VanDerWaalsContact O-CB 3.27Å; H424-I427 WeakPolarHBondContact O-CB 3.48Å; H424-I427 WeakPolarHBondContact O-CG1 3.39Å; H424-I427 PolarHBondContact O-N 2.84Å; H424-H428 AromaticContact CD2-NE2 3.2Å; H424-H428 PolarHBondContact CD2-NE2 3.24Å; H424-H428 AromaticContact CE1-NE2 2.75Å; H424-H428 PolarHBondContact CE1-NE2 2.92Å; H424-H428 AromaticContact ND1-NE2 3.81Å; H424-H428 AromaticContact NE2-CD2 3.9Å; H424-H428 AromaticContact NE2-NE2 2.21Å; H424-H428 PolarHBondContact NE2-NE2 3.18Å
425	Q	87.9	Confident	88.3	Confident	82 Å²	82	68.8 Å²	68.8	38%	0.383	37%	0.368	S	S	.	.	H	α-helix	trans	-58.3	-31.6	177.7	-77.5	167.6	-32.8	0	0	112.2	L421 I422 I427 H428 S429	L421-Q425 HydrophobicContact CD1-CG 4.21Å; L421-Q425 WeakPolarHBondContact O-CG 3.46Å; L421-Q425 PolarHBondContact O-N 3.22Å; I422-Q425 PolarHBondContact O-N 3.15Å; Q425-I427 PolarHBondContact O-N 3.02Å; Q425-I427 VanDerWaalsContact O-N 3.14Å; Q425-H428 PolarHBondContact O-N 3.05Å; Q425-S429 PolarHBondContact O-N 3.07Å
426	R	89.6	Confident	88.4	Confident	49 Å²	49	66.2 Å²	66.2	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-58.9	-20.4	171.4	-62.9	-171.8	176.2	152.7	3.7	115.1	H424 H428 G430 E431 S444	H424-R426 PolarHBondContact O-N 3.05Å; R426-H428 VanDerWaalsContact C-N 3.3Å; R426-G430 CarbonylContact O-C 3.54Å; R426-G430 WeakPolarHBondContact O-CA 3.41Å; R426-G430 PolarHBondContact O-N 2.69Å; R426-G430 VanDerWaalsContact O-N 3.11Å; R426-E431 HydrophobicContact CB-CB 4.11Å; R426-E431 HydrophobicContact CG-CB 3.91Å; R426-E431 IonicContact NE-OE2 3.23Å; R426-E431 PolarHBondContact O-N 2.9Å; R426-S444 PolarHBondContact NH1-O 2.84Å
427	I	88.1	Confident	88.6	Confident	121 Å²	121	72.1 Å²	72.1	62%	0.621	39%	0.386	S	S	*	.	H	α-helix	trans	-71.8	-29.9	173.3	-56.1	-175.8	0	0	0	110.6	H424 Q425	H424-I427 VanDerWaalsContact O-CB 3.27Å; H424-I427 WeakPolarHBondContact O-CB 3.48Å; H424-I427 WeakPolarHBondContact O-CG1 3.39Å; H424-I427 PolarHBondContact O-N 2.84Å; Q425-I427 PolarHBondContact O-N 3.02Å; Q425-I427 VanDerWaalsContact O-N 3.14Å
428	H	88.8	Confident	88.7	Confident	74 Å²	74	73.2 Å²	73.2	34%	0.343	39%	0.391	S	S	.	.	H	α-helix	trans	-90.1	-41	179.4	-57.3	-71.7	0	0	0	112.8	C408 C411 H424 Q425 R426 G430	C408-H428 PolarHBondContact SG-NE2 3.33Å; C411-H428 WeakPolarHBondContact CB-CE1 3.49Å; C411-H428 PolarHBondContact SG-CE1 2.73Å; C411-H428 PolarHBondContact SG-NE2 2.89Å; H424-H428 AromaticContact CD2-NE2 3.2Å; H424-H428 PolarHBondContact CD2-NE2 3.24Å; H424-H428 AromaticContact CE1-NE2 2.75Å; H424-H428 PolarHBondContact CE1-NE2 2.92Å; H424-H428 AromaticContact ND1-NE2 3.81Å; H424-H428 AromaticContact NE2-CD2 3.9Å; H424-H428 AromaticContact NE2-NE2 2.21Å; H424-H428 PolarHBondContact NE2-NE2 3.18Å; Q425-H428 PolarHBondContact O-N 3.05Å; R426-H428 VanDerWaalsContact C-N 3.3Å; H428-G430 VanDerWaalsContact C-N 3.25Å; H428-G430 PolarHBondContact O-N 3.07Å
429	S	87.8	Confident	88.8	Confident	67 Å²	67	73.3 Å²	73.3	47%	0.469	39%	0.391	S	S	.	.	H	α-helix	trans	-75.9	-12	174.6	62.3	0	0	0	0	113.7	Q425 E431	Q425-S429 PolarHBondContact O-N 3.07Å; S429-E431 WeakPolarHBondContact CB-OE1 3.35Å; S429-E431 PolarHBondContact O-N 3.42Å; S429-E431 VanDerWaalsContact OG-CD 3.25Å; S429-E431 WeakPolarHBondContact OG-CG 3.38Å; S429-E431 PolarHBondContact OG-OE1 3.08Å
430	G	87.6	Confident	88.9	Confident	49 Å²	49	72.7 Å²	72.7	51%	0.505	39%	0.391	S	S	.	.			trans	74.2	-0.9	-175.3	0	0	0	0	0	114.5	R426 H428 R432	R426-G430 CarbonylContact O-C 3.54Å; R426-G430 WeakPolarHBondContact O-CA 3.41Å; R426-G430 PolarHBondContact O-N 2.69Å; R426-G430 VanDerWaalsContact O-N 3.11Å; H428-G430 VanDerWaalsContact C-N 3.25Å; H428-G430 PolarHBondContact O-N 3.07Å; G430-R432 PolarHBondContact O-N 3.05Å
431	E	88.9	Confident	89.1	Confident	100 Å²	100	77.2 Å²	77.2	47%	0.467	40%	0.403	S	S	.	.			trans	-53.4	125.2	-177.2	-84.4	167.2	-116.5	0	0	113.4	R426 S429	R426-E431 HydrophobicContact CB-CB 4.11Å; R426-E431 HydrophobicContact CG-CB 3.91Å; R426-E431 IonicContact NE-OE2 3.23Å; R426-E431 PolarHBondContact O-N 2.9Å; S429-E431 WeakPolarHBondContact CB-OE1 3.35Å; S429-E431 PolarHBondContact O-N 3.42Å; S429-E431 VanDerWaalsContact OG-CD 3.25Å; S429-E431 WeakPolarHBondContact OG-CG 3.38Å; S429-E431 PolarHBondContact OG-OE1 3.08Å
432	R	89.3	Confident	89.1	Confident	153 Å²	153	77.2 Å²	77.2	58%	0.577	41%	0.407	S	S	*	.			trans	-133.1	74.7	177.4	-74.2	169.5	158.9	-146.5	7.2	110.9	G430 Y434 A442 F443	G430-R432 PolarHBondContact O-N 3.05Å; R432-Y434 PolarHBondContact O-N 3.03Å; R432-A442 HydrophobicContact CB-CB 3.52Å; R432-A442 VanDerWaalsContact CD-O 3.29Å; R432-A442 WeakPolarHBondContact CD-O 3.3Å; R432-A442 HydrophobicContact CG-CB 4.46Å; R432-A442 PolarHBondContact NH1-O 2.97Å; R432-F443 CarbonylContact C-O 3.51Å; R432-F443 VanDerWaalsContact CA-O 3.25Å; R432-F443 WeakPolarHBondContact CA-O 3.33Å
433	P	88.1	Confident	89.2	Confident	76 Å²	76	75.5 Å²	75.5	49%	0.494	40%	0.396	S	S	.	.			trans	-69.3	-2.2	-171.5	-20.5	34.7	0	0	0	115.8
434	Y	90.8	Very high	89.2	Confident	78 Å²	78	74.2 Å²	74.2	31%	0.306	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	90.3	-174.3	-52.2	-72.5	0	0	0	110.1	R432 F443 S446	R432-Y434 PolarHBondContact O-N 3.03Å; Y434-F443 WeakPolarHBondContact CD2-O 3.02Å; Y434-F443 PolarHBondContact N-O 3.39Å; Y434-F443 VanDerWaalsContact N-O 3.15Å; Y434-F443 PolarHBondContact O-N 3.29Å; Y434-S446 VanDerWaalsContact CD2-N 3.27Å
435	E	91.2	Very high	89	Confident	112 Å²	112	76 Å²	76	52%	0.523	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	147.6	180	-164.9	167.7	163.2	0	0	113.2	G440 A442 L449	E435-G440 WeakPolarHBondContact OE1-CA 3.41Å; E435-A442 HydrophobicContact CB-CB 4.47Å; E435-A442 HydrophobicContact CG-CB 4.41Å; E435-L449 VanDerWaalsContact O-CD2 3.28Å; E435-L449 WeakPolarHBondContact O-CD2 3.46Å
436	C	92.3	Very high	89	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	102.6	172.6	-175.5	0	0	0	0	110.3	E438 C439 G440 K441 F443 L449	C436-E438 PolarHBondContact O-N 3.45Å; C436-C439 PolarHBondContact O-N 2.81Å; C436-G440 PolarHBondContact O-N 2.84Å; C436-K441 HydrophobicContact CB-CB 4.41Å; C436-K441 WeakPolarHBondContact CB-O 3.21Å; C436-K441 PolarHBondContact N-O 3.23Å; C436-F443 HydrophobicContact CB-CE2 4.45Å; C436-L449 HydrophobicContact CB-CD1 3.54Å
437	N	90.4	Very high	88.8	Confident	160 Å²	160	76 Å²	76	86%	0.856	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-26.6	-179	-56.5	6.6	0	0	0	114
438	E	88.8	Confident	88.8	Confident	113 Å²	113	74.6 Å²	74.6	53%	0.528	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.6	-177.5	-59.2	178.9	-93.6	0	0	114	C436 H456	C436-E438 PolarHBondContact O-N 3.45Å; E438-H456 VanDerWaalsContact CD-CB 3.49Å; E438-H456 IonicContact OE1-CD2 3.3Å; E438-H456 PolarHBondContact OE1-CD2 3.35Å; E438-H456 VanDerWaalsContact OE1-CD2 3.23Å; E438-H456 IonicContact OE1-CG 2.73Å; E438-H456 WeakPolarHBondContact OE2-CB 3.4Å; E438-H456 IonicContact OE2-CD2 3.85Å; E438-H456 IonicContact OE2-CG 3.64Å
439	C	90.4	Very high	88.8	Confident	48 Å²	48	72.1 Å²	72.1	32%	0.324	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.5	16.8	-178.2	70.4	0	0	0	0	116.4	C436 K441 H452	C436-C439 PolarHBondContact O-N 2.81Å; C439-K441 PolarHBondContact O-N 3.25Å; C439-K441 VanDerWaalsContact O-N 3.11Å; C439-H452 PolarHBondContact SG-NE2 3.13Å; C439-H452 VanDerWaalsContact SG-NE2 3.38Å
440	G	87.9	Confident	88.8	Confident	47 Å²	47	72.8 Å²	72.8	49%	0.485	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	12.9	177	0	0	0	0	0	115.2	E435 C436 A442	E435-G440 WeakPolarHBondContact OE1-CA 3.41Å; C436-G440 PolarHBondContact O-N 2.84Å; G440-A442 PolarHBondContact O-N 3.42Å
441	K	90.5	Very high	88.7	Confident	118 Å²	118	71.5 Å²	71.5	51%	0.513	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	106.3	-175	-75.3	176.8	-170.6	159.9	0	110.6	C436 C439 F443	C436-K441 HydrophobicContact CB-CB 4.41Å; C436-K441 WeakPolarHBondContact CB-O 3.21Å; C436-K441 PolarHBondContact N-O 3.23Å; C439-K441 PolarHBondContact O-N 3.25Å; C439-K441 VanDerWaalsContact O-N 3.11Å; K441-F443 HydrophobicContact CB-CE2 3.94Å; K441-F443 HydrophobicContact CB-CZ 4.17Å; K441-F443 WeakPolarHBondContact O-CD2 3.37Å; K441-F443 WeakPolarHBondContact O-CE2 3.48Å
442	A	90.4	Very high	88.7	Confident	22 Å²	22	67.7 Å²	67.7	18%	0.182	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.8	177.5	0	0	0	0	0	112.9	R432 E435 G440	R432-A442 HydrophobicContact CB-CB 3.52Å; R432-A442 VanDerWaalsContact CD-O 3.29Å; R432-A442 WeakPolarHBondContact CD-O 3.3Å; R432-A442 HydrophobicContact CG-CB 4.46Å; R432-A442 PolarHBondContact NH1-O 2.97Å; E435-A442 HydrophobicContact CB-CB 4.47Å; E435-A442 HydrophobicContact CG-CB 4.41Å; G440-A442 PolarHBondContact O-N 3.42Å
443	F	88.4	Confident	88.6	Confident	45 Å²	45	63.9 Å²	63.9	20%	0.197	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.1	-179.9	-61.3	-89.3	0	0	0	111.8	R432 Y434 C436 K441 H448 L449 H452	R432-F443 CarbonylContact C-O 3.51Å; R432-F443 VanDerWaalsContact CA-O 3.25Å; R432-F443 WeakPolarHBondContact CA-O 3.33Å; Y434-F443 WeakPolarHBondContact CD2-O 3.02Å; Y434-F443 PolarHBondContact N-O 3.39Å; Y434-F443 VanDerWaalsContact N-O 3.15Å; Y434-F443 PolarHBondContact O-N 3.29Å; C436-F443 HydrophobicContact CB-CE2 4.45Å; K441-F443 HydrophobicContact CB-CE2 3.94Å; K441-F443 HydrophobicContact CB-CZ 4.17Å; K441-F443 WeakPolarHBondContact O-CD2 3.37Å; K441-F443 WeakPolarHBondContact O-CE2 3.48Å; F443-H448 HydrophobicContact CB-CB 4.26Å; F443-H448 HydrophobicContact CD1-CB 3.9Å; F443-H448 HydrophobicContact CG-CB 4.28Å; F443-L449 HydrophobicContact CD2-CB 4.07Å; F443-L449 HydrophobicContact CD2-CD1 4.09Å; F443-L449 HydrophobicContact CE2-CD1 4.28Å; F443-H452 HydrophobicContact CE1-CB 4.26Å; F443-H452 HydrophobicContact CE2-CB 3.85Å; F443-H452 AromaticContact CE2-CD2 3.33Å; F443-H452 WeakPolarHBondContact CE2-CD2 3.49Å; F443-H452 AromaticContact CE2-CG 3.65Å; F443-H452 HydrophobicContact CZ-CB 3.58Å; F443-H452 AromaticContact CZ-CD2 3.45Å; F443-H452 VanDerWaalsContact CZ-CD2 3.45Å; F443-H452 WeakPolarHBondContact CZ-CD2 3.38Å; F443-H452 AromaticContact CZ-CG 3.34Å; F443-H452 AromaticContact CZ-ND1 3.85Å; F443-H452 AromaticContact CZ-NE2 3.96Å
444	S	86.8	Confident	88.7	Confident	28 Å²	28	63.3 Å²	63.3	20%	0.196	34%	0.339	C	S	.	.	S	Bend	trans	-84.8	-12.3	176.9	51.1	0	0	0	0	114.2	L423 R426	L423-S444 WeakPolarHBondContact CD1-O 3.38Å; R426-S444 PolarHBondContact NH1-O 2.84Å
445	H	85.8	Confident	88.5	Confident	55 Å²	55	64.5 Å²	64.5	26%	0.255	35%	0.35	S	S	.	.	S	Bend	trans	-127.9	136.7	177.2	-59.7	-154.1	0	0	0	110.2	S447 H448 L449	H445-S447 VanDerWaalsContact C-N 3.34Å; H445-S447 PolarHBondContact O-N 3.36Å; H445-H448 HydrophobicContact CB-CB 4.16Å; H445-H448 AromaticContact CD2-CE1 3.9Å; H445-H448 AromaticContact CD2-ND1 3.84Å; H445-H448 AromaticContact CE1-CE1 3.59Å; H445-H448 AromaticContact CG-CE1 3.6Å; H445-H448 AromaticContact CG-ND1 3.55Å; H445-H448 AromaticContact ND1-CE1 3.39Å; H445-H448 PolarHBondContact ND1-CE1 2.72Å; H445-H448 AromaticContact ND1-ND1 3.82Å; H445-H448 AromaticContact ND1-NE2 3.8Å; H445-H448 AromaticContact NE2-CE1 3.9Å; H445-H448 PolarHBondContact O-N 2.72Å; H445-H448 VanDerWaalsContact O-N 3.16Å; H445-L449 PolarHBondContact O-N 2.73Å
446	S	86.9	Confident	88.4	Confident	57 Å²	57	62.6 Å²	62.6	40%	0.399	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-37.6	174	52.6	0	0	0	0	112.9	Y434 H448 L449 I450	Y434-S446 VanDerWaalsContact CD2-N 3.27Å; S446-H448 PolarHBondContact O-N 2.97Å; S446-L449 WeakPolarHBondContact O-CB 3.34Å; S446-L449 PolarHBondContact O-N 3.3Å; S446-L449 VanDerWaalsContact O-N 3.08Å; S446-I450 WeakPolarHBondContact O-CG1 3.41Å; S446-I450 PolarHBondContact O-N 2.73Å
447	S	85.6	Confident	88.1	Confident	72 Å²	72	66.3 Å²	66.3	50%	0.503	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-25	175.8	58.1	0	0	0	0	113.4	H445 G451	H445-S447 VanDerWaalsContact C-N 3.34Å; H445-S447 PolarHBondContact O-N 3.36Å; S447-G451 WeakPolarHBondContact O-CA 3.29Å; S447-G451 PolarHBondContact O-N 3.31Å
448	H	87.6	Confident	87.9	Confident	93 Å²	93	60.8 Å²	60.8	43%	0.431	34%	0.344	S	S	.	.	H	α-helix	trans	-77.7	-34.7	171.6	-64.3	163.1	0	0	0	111.9	F443 H445 S446 G451 H452	F443-H448 HydrophobicContact CB-CB 4.26Å; F443-H448 HydrophobicContact CD1-CB 3.9Å; F443-H448 HydrophobicContact CG-CB 4.28Å; H445-H448 HydrophobicContact CB-CB 4.16Å; H445-H448 AromaticContact CD2-CE1 3.9Å; H445-H448 AromaticContact CD2-ND1 3.84Å; H445-H448 AromaticContact CE1-CE1 3.59Å; H445-H448 AromaticContact CG-CE1 3.6Å; H445-H448 AromaticContact CG-ND1 3.55Å; H445-H448 AromaticContact ND1-CE1 3.39Å; H445-H448 PolarHBondContact ND1-CE1 2.72Å; H445-H448 AromaticContact ND1-ND1 3.82Å; H445-H448 AromaticContact ND1-NE2 3.8Å; H445-H448 AromaticContact NE2-CE1 3.9Å; H445-H448 PolarHBondContact O-N 2.72Å; H445-H448 VanDerWaalsContact O-N 3.16Å; S446-H448 PolarHBondContact O-N 2.97Å; H448-G451 CarbonylContact O-C 3.5Å; H448-G451 PolarHBondContact O-N 3.06Å; H448-H452 WeakPolarHBondContact O-CB 3.32Å; H448-H452 PolarHBondContact O-N 3.23Å
449	L	89.6	Confident	87.9	Confident	22 Å²	22	59.5 Å²	59.5	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-51.3	172.1	172.4	61.2	0	0	0	111.6	E435 C436 F443 H445 S446 G451 H452 Q453	E435-L449 VanDerWaalsContact O-CD2 3.28Å; E435-L449 WeakPolarHBondContact O-CD2 3.46Å; C436-L449 HydrophobicContact CB-CD1 3.54Å; F443-L449 HydrophobicContact CD2-CB 4.07Å; F443-L449 HydrophobicContact CD2-CD1 4.09Å; F443-L449 HydrophobicContact CE2-CD1 4.28Å; H445-L449 PolarHBondContact O-N 2.73Å; S446-L449 WeakPolarHBondContact O-CB 3.34Å; S446-L449 PolarHBondContact O-N 3.3Å; S446-L449 VanDerWaalsContact O-N 3.08Å; L449-G451 VanDerWaalsContact C-N 3.26Å; L449-G451 PolarHBondContact O-N 3.37Å; L449-H452 CarbonylContact O-C 3.18Å; L449-H452 VanDerWaalsContact O-CA 3.32Å; L449-H452 WeakPolarHBondContact O-CA 3.39Å; L449-H452 VanDerWaalsContact O-CB 3.32Å; L449-H452 WeakPolarHBondContact O-CB 3.34Å; L449-H452 PolarHBondContact O-N 2.96Å; L449-Q453 HydrophobicContact CD1-CG 4.1Å; L449-Q453 HydrophobicContact CG-CG 4.47Å; L449-Q453 PolarHBondContact O-N 3.31Å
450	I	86.6	Confident	87.8	Confident	81 Å²	81	62.9 Å²	62.9	42%	0.415	35%	0.348	S	S	.	.	H	α-helix	trans	-59.4	-43.2	174.2	-61.4	164.8	0	0	0	109.8	S446 H452	S446-I450 WeakPolarHBondContact O-CG1 3.41Å; S446-I450 PolarHBondContact O-N 2.73Å; I450-H452 PolarHBondContact O-N 2.96Å; I450-H452 VanDerWaalsContact O-N 3.11Å
451	G	86.1	Confident	87.8	Confident	21 Å²	21	64 Å²	64	22%	0.216	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-9.5	172.2	0	0	0	0	0	114.9	S447 H448 L449 R472	S447-G451 WeakPolarHBondContact O-CA 3.29Å; S447-G451 PolarHBondContact O-N 3.31Å; H448-G451 CarbonylContact O-C 3.5Å; H448-G451 PolarHBondContact O-N 3.06Å; L449-G451 VanDerWaalsContact C-N 3.26Å; L449-G451 PolarHBondContact O-N 3.37Å; G451-R472 VanDerWaalsContact O-CZ 3.29Å; G451-R472 PolarHBondContact O-NE 3.31Å; G451-R472 PolarHBondContact O-NH2 3.46Å
452	H	89.1	Confident	87.8	Confident	20 Å²	20	62.2 Å²	62.2	9%	0.093	34%	0.337	C	S	.	.	H	α-helix	trans	-107.3	-38.5	178.3	174.4	64.2	0	0	0	113.3	C439 F443 H448 L449 I450 R454 I455 H456 R472	C439-H452 PolarHBondContact SG-NE2 3.13Å; C439-H452 VanDerWaalsContact SG-NE2 3.38Å; F443-H452 HydrophobicContact CE1-CB 4.26Å; F443-H452 HydrophobicContact CE2-CB 3.85Å; F443-H452 AromaticContact CE2-CD2 3.33Å; F443-H452 WeakPolarHBondContact CE2-CD2 3.49Å; F443-H452 AromaticContact CE2-CG 3.65Å; F443-H452 HydrophobicContact CZ-CB 3.58Å; F443-H452 AromaticContact CZ-CD2 3.45Å; F443-H452 VanDerWaalsContact CZ-CD2 3.45Å; F443-H452 WeakPolarHBondContact CZ-CD2 3.38Å; F443-H452 AromaticContact CZ-CG 3.34Å; F443-H452 AromaticContact CZ-ND1 3.85Å; F443-H452 AromaticContact CZ-NE2 3.96Å; H448-H452 WeakPolarHBondContact O-CB 3.32Å; H448-H452 PolarHBondContact O-N 3.23Å; L449-H452 CarbonylContact O-C 3.18Å; L449-H452 VanDerWaalsContact O-CA 3.32Å; L449-H452 WeakPolarHBondContact O-CA 3.39Å; L449-H452 VanDerWaalsContact O-CB 3.32Å; L449-H452 WeakPolarHBondContact O-CB 3.34Å; L449-H452 PolarHBondContact O-N 2.96Å; I450-H452 PolarHBondContact O-N 2.96Å; I450-H452 VanDerWaalsContact O-N 3.11Å; H452-R454 PolarHBondContact O-N 2.94Å; H452-R454 VanDerWaalsContact O-N 3.13Å; H452-I455 WeakPolarHBondContact ND1-CD1 3.25Å; H452-I455 WeakPolarHBondContact O-CB 3.49Å; H452-I455 WeakPolarHBondContact O-CG1 3.2Å; H452-I455 PolarHBondContact O-N 3.11Å; H452-H456 AromaticContact NE2-NE2 3.73Å; H452-R472 PolarHBondContact O-NH2 3.4Å
453	Q	87.9	Confident	87.9	Confident	74 Å²	74	66.4 Å²	66.4	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-52.7	-37.1	178.1	-75.8	167.7	-54	0	0	112.7	L449 I455 H456 T457	L449-Q453 HydrophobicContact CD1-CG 4.1Å; L449-Q453 HydrophobicContact CG-CG 4.47Å; L449-Q453 PolarHBondContact O-N 3.31Å; Q453-I455 PolarHBondContact O-N 3.29Å; Q453-H456 PolarHBondContact O-N 3.33Å; Q453-T457 PolarHBondContact O-N 2.87Å
454	R	88.6	Confident	88.2	Confident	64 Å²	64	64.2 Å²	64.2	24%	0.242	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	1.1	170.6	-56.9	-174.8	177.5	154.8	4.3	116.1	H452 T457 E459 R472	H452-R454 PolarHBondContact O-N 2.94Å; H452-R454 VanDerWaalsContact O-N 3.13Å; R454-T457 WeakPolarHBondContact CA-OG1 3.37Å; R454-E459 HydrophobicContact CB-CB 3.98Å; R454-E459 HydrophobicContact CG-CB 3.86Å; R454-E459 WeakPolarHBondContact CG-OE2 3.32Å; R454-E459 IonicContact NE-OE2 3.46Å; R454-E459 PolarHBondContact NE-OE2 3.08Å; R454-E459 VanDerWaalsContact NE-OE2 3.11Å; R454-R472 HydrophobicContact CB-CG 3.81Å; R454-R472 PolarHBondContact O-NH1 2.81Å
455	I	88.5	Confident	88.4	Confident	102 Å²	102	69.8 Å²	69.8	52%	0.523	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-46.7	167.4	-69.3	-172.6	0	0	0	107.8	H452 Q453 R472	H452-I455 WeakPolarHBondContact ND1-CD1 3.25Å; H452-I455 WeakPolarHBondContact O-CB 3.49Å; H452-I455 WeakPolarHBondContact O-CG1 3.2Å; H452-I455 PolarHBondContact O-N 3.11Å; Q453-I455 PolarHBondContact O-N 3.29Å; I455-R472 VanDerWaalsContact CA-NH1 3.34Å
456	H	88.1	Confident	88.5	Confident	72 Å²	72	72.4 Å²	72.4	33%	0.333	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-45.3	-175	-48.2	-70.1	0	0	0	111.1	E438 H452 Q453 G458	E438-H456 VanDerWaalsContact CD-CB 3.49Å; E438-H456 IonicContact OE1-CD2 3.3Å; E438-H456 PolarHBondContact OE1-CD2 3.35Å; E438-H456 VanDerWaalsContact OE1-CD2 3.23Å; E438-H456 IonicContact OE1-CG 2.73Å; E438-H456 WeakPolarHBondContact OE2-CB 3.4Å; E438-H456 IonicContact OE2-CD2 3.85Å; E438-H456 IonicContact OE2-CG 3.64Å; H452-H456 AromaticContact NE2-NE2 3.73Å; Q453-H456 PolarHBondContact O-N 3.33Å; H456-G458 PolarHBondContact O-N 3.34Å
457	T	86.3	Confident	88.7	Confident	79 Å²	79	72 Å²	72	49%	0.485	38%	0.38	S	S	.	.	S	Bend	trans	-70.6	-8.5	174.9	72.1	0	0	0	0	113.9	Q453 R454 E459	Q453-T457 PolarHBondContact O-N 2.87Å; R454-T457 WeakPolarHBondContact CA-OG1 3.37Å; T457-E459 WeakPolarHBondContact CB-OE1 3.44Å; T457-E459 PolarHBondContact O-N 2.99Å; T457-E459 VanDerWaalsContact OG1-CD 3.32Å; T457-E459 WeakPolarHBondContact OG1-CG 3.39Å; T457-E459 PolarHBondContact OG1-OE1 3.42Å
458	G	86.9	Confident	88.9	Confident	44 Å²	44	70.5 Å²	70.5	45%	0.454	38%	0.375	S	S	.	.			trans	68	-3.8	-179	0	0	0	0	0	116	H456 K460	H456-G458 PolarHBondContact O-N 3.34Å; G458-K460 PolarHBondContact O-N 2.85Å
459	E	87.9	Confident	89.1	Confident	86 Å²	86	71.5 Å²	71.5	40%	0.402	38%	0.379	S	S	.	.			trans	-49.5	129.9	-175.5	-84.7	166.7	-114.7	0	0	114.2	R454 T457 P461 R472	R454-E459 HydrophobicContact CB-CB 3.98Å; R454-E459 HydrophobicContact CG-CB 3.86Å; R454-E459 WeakPolarHBondContact CG-OE2 3.32Å; R454-E459 IonicContact NE-OE2 3.46Å; R454-E459 PolarHBondContact NE-OE2 3.08Å; R454-E459 VanDerWaalsContact NE-OE2 3.11Å; T457-E459 WeakPolarHBondContact CB-OE1 3.44Å; T457-E459 PolarHBondContact O-N 2.99Å; T457-E459 VanDerWaalsContact OG1-CD 3.32Å; T457-E459 WeakPolarHBondContact OG1-CG 3.39Å; T457-E459 PolarHBondContact OG1-OE1 3.42Å; E459-P461 HydrophobicContact CB-CG 4.39Å; E459-R472 WeakPolarHBondContact O-CB 3.49Å; E459-R472 WeakPolarHBondContact O-CG 3.33Å
460	K	89.3	Confident	89.1	Confident	119 Å²	119	73.1 Å²	73.1	52%	0.517	39%	0.39	S	S	.	.			trans	-130.6	72.8	175.1	-66.4	160.3	-175.9	176.2	0	111.4	G458 Y462 T470 F471 R472	G458-K460 PolarHBondContact O-N 2.85Å; K460-Y462 PolarHBondContact O-N 3.18Å; K460-T470 WeakPolarHBondContact CD-O 3.32Å; K460-T470 VanDerWaalsContact CD-OG1 3.3Å; K460-T470 WeakPolarHBondContact CD-OG1 3.27Å; K460-F471 CarbonylContact C-O 3.51Å; K460-F471 VanDerWaalsContact CA-O 3.24Å; K460-F471 WeakPolarHBondContact CA-O 3.32Å; K460-R472 HydrophobicContact CG-CB 4.2Å
461	P	87.8	Confident	89.2	Confident	71 Å²	71	71.5 Å²	71.5	46%	0.461	38%	0.38	S	S	.	.			trans	-73.9	13.2	-169.4	-18.2	34.5	0	0	0	116.2	E459	E459-P461 HydrophobicContact CB-CG 4.39Å
462	Y	90.7	Very high	89.2	Confident	79 Å²	79	72.7 Å²	72.7	31%	0.31	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-129.2	91.3	-176.2	-54.2	-76.2	0	0	0	109.3	K460 F471 R473	K460-Y462 PolarHBondContact O-N 3.18Å; Y462-F471 WeakPolarHBondContact CB-O 3.41Å; Y462-F471 WeakPolarHBondContact CD2-O 3.39Å; Y462-F471 PolarHBondContact N-O 2.74Å; Y462-F471 PolarHBondContact O-N 2.69Å; Y462-R473 VanDerWaalsContact CD2-C 3.45Å
463	E	92.4	Very high	89	Confident	110 Å²	110	78 Å²	78	51%	0.514	40%	0.397	S	S	.	.			trans	-80.1	157.4	178.1	-163.9	155.4	164.1	0	0	112.3	G468 T470 L477	E463-G468 WeakPolarHBondContact OE1-CA 3.46Å; E463-T470 HydrophobicContact CB-CG2 4.01Å; E463-T470 HydrophobicContact CG-CG2 3.76Å; E463-L477 VanDerWaalsContact O-CD1 3.25Å; E463-L477 WeakPolarHBondContact O-CD1 3.28Å; E463-L477 WeakPolarHBondContact O-CD2 3.31Å
464	C	93.2	Very high	89	Confident	0 Å²	0	77 Å²	77	0%	0	40%	0.398	C	S	.	.			trans	-108.2	106.2	173.7	-171.7	0	0	0	0	108.8	E466 C467 G468 K469 F471 L477	C464-E466 PolarHBondContact O-N 3.03Å; C464-E466 VanDerWaalsContact O-N 3.07Å; C464-C467 PolarHBondContact O-N 3.36Å; C464-G468 PolarHBondContact O-N 3.37Å; C464-K469 HydrophobicContact CB-CB 4.43Å; C464-K469 WeakPolarHBondContact CB-O 3.14Å; C464-K469 PolarHBondContact N-O 3.19Å; C464-F471 HydrophobicContact CB-CE2 4.29Å; C464-L477 HydrophobicContact CB-CD1 3.53Å
465	D	90.7	Very high	88.9	Confident	144 Å²	144	77.7 Å²	77.7	77%	0.77	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.3	-172.6	-42.3	-69.4	0	0	0	112.7	C467	D465-C467 PolarHBondContact O-N 3.38Å
466	E	89.4	Confident	88.9	Confident	110 Å²	110	77.5 Å²	77.5	51%	0.514	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.5	179.8	-61.2	178.7	-100.7	0	0	114.4	C464 H484	C464-E466 PolarHBondContact O-N 3.03Å; C464-E466 VanDerWaalsContact O-N 3.07Å; E466-H484 IonicContact OE1-CD2 3.91Å; E466-H484 PolarHBondContact OE1-CD2 3.17Å; E466-H484 IonicContact OE1-CG 3.89Å; E466-H484 WeakPolarHBondContact OE2-CB 3.36Å; E466-H484 IonicContact OE2-CD2 3.6Å; E466-H484 IonicContact OE2-CG 3.68Å
467	C	91	Very high	89.1	Confident	49 Å²	49	75.1 Å²	75.1	33%	0.331	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157	14	-177.3	70.7	0	0	0	0	117.3	C464 D465 K469 H480 H484	C464-C467 PolarHBondContact O-N 3.36Å; D465-C467 PolarHBondContact O-N 3.38Å; C467-K469 PolarHBondContact O-N 2.74Å; C467-K469 VanDerWaalsContact SG-CD 3.56Å; C467-H480 PolarHBondContact SG-NE2 3.19Å; C467-H484 VanDerWaalsContact SG-CE1 3.53Å; C467-H484 PolarHBondContact SG-NE2 2.81Å
468	G	89.4	Confident	89.1	Confident	40 Å²	40	75.4 Å²	75.4	41%	0.412	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	9.3	178	0	0	0	0	0	115.4	E463 C464 T470	E463-G468 WeakPolarHBondContact OE1-CA 3.46Å; C464-G468 PolarHBondContact O-N 3.37Å; G468-T470 PolarHBondContact O-N 2.72Å
469	K	90.8	Very high	89.1	Confident	114 Å²	114	74 Å²	74	50%	0.496	38%	0.382	S	S	.	.			trans	-77.4	114.9	-178	-73.7	175.8	-165.4	147.6	0	110	C464 C467 F471	C464-K469 HydrophobicContact CB-CB 4.43Å; C464-K469 WeakPolarHBondContact CB-O 3.14Å; C464-K469 PolarHBondContact N-O 3.19Å; C467-K469 PolarHBondContact O-N 2.74Å; C467-K469 VanDerWaalsContact SG-CD 3.56Å; K469-F471 HydrophobicContact CB-CE2 3.72Å; K469-F471 HydrophobicContact CB-CZ 4.09Å; K469-F471 WeakPolarHBondContact O-CD2 3.26Å; K469-F471 WeakPolarHBondContact O-CE2 3.38Å
470	T	90.2	Very high	89.2	Confident	57 Å²	57	71.1 Å²	71.1	35%	0.35	37%	0.369	S	S	.	.			trans	-88.7	134.3	-179.5	52.8	0	0	0	0	112.3	K460 E463 G468	K460-T470 WeakPolarHBondContact CD-O 3.32Å; K460-T470 VanDerWaalsContact CD-OG1 3.3Å; K460-T470 WeakPolarHBondContact CD-OG1 3.27Å; E463-T470 HydrophobicContact CB-CG2 4.01Å; E463-T470 HydrophobicContact CG-CG2 3.76Å; G468-T470 PolarHBondContact O-N 2.72Å
471	F	88.6	Confident	89.2	Confident	46 Å²	46	68.1 Å²	68.1	20%	0.202	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-121.2	150.8	-179.5	-63.2	-91.1	0	0	0	111.2	K460 Y462 C464 K469 H476 L477 H480	K460-F471 CarbonylContact C-O 3.51Å; K460-F471 VanDerWaalsContact CA-O 3.24Å; K460-F471 WeakPolarHBondContact CA-O 3.32Å; Y462-F471 WeakPolarHBondContact CB-O 3.41Å; Y462-F471 WeakPolarHBondContact CD2-O 3.39Å; Y462-F471 PolarHBondContact N-O 2.74Å; Y462-F471 PolarHBondContact O-N 2.69Å; C464-F471 HydrophobicContact CB-CE2 4.29Å; K469-F471 HydrophobicContact CB-CE2 3.72Å; K469-F471 HydrophobicContact CB-CZ 4.09Å; K469-F471 WeakPolarHBondContact O-CD2 3.26Å; K469-F471 WeakPolarHBondContact O-CE2 3.38Å; F471-H476 HydrophobicContact CB-CB 4.4Å; F471-H476 HydrophobicContact CD1-CB 3.86Å; F471-H476 HydrophobicContact CG-CB 4.43Å; F471-L477 HydrophobicContact CB-CB 4.24Å; F471-L477 HydrophobicContact CD2-CB 4.1Å; F471-L477 HydrophobicContact CD2-CD1 4.02Å; F471-L477 HydrophobicContact CE2-CD1 4.36Å; F471-L477 HydrophobicContact CG-CB 4.29Å; F471-H480 HydrophobicContact CE1-CB 4.1Å; F471-H480 HydrophobicContact CE2-CB 4.05Å; F471-H480 AromaticContact CE2-CD2 3.25Å; F471-H480 WeakPolarHBondContact CE2-CD2 3.36Å; F471-H480 AromaticContact CE2-CG 3.84Å; F471-H480 HydrophobicContact CZ-CB 3.59Å; F471-H480 AromaticContact CZ-CD2 3.26Å; F471-H480 WeakPolarHBondContact CZ-CD2 3.49Å; F471-H480 AromaticContact CZ-CG 3.42Å; F471-H480 VanDerWaalsContact CZ-CG 3.42Å
472	R	86.7	Confident	89.3	Confident	47 Å²	47	67.4 Å²	67.4	18%	0.177	35%	0.345	C	S	.	.	S	Bend	trans	-94.5	-6	-178.4	174.6	-92.8	-165	65.2	4.9	113.9	G451 H452 R454 I455 E459 K460	G451-R472 VanDerWaalsContact O-CZ 3.29Å; G451-R472 PolarHBondContact O-NE 3.31Å; G451-R472 PolarHBondContact O-NH2 3.46Å; H452-R472 PolarHBondContact O-NH2 3.4Å; R454-R472 HydrophobicContact CB-CG 3.81Å; R454-R472 PolarHBondContact O-NH1 2.81Å; I455-R472 VanDerWaalsContact CA-NH1 3.34Å; E459-R472 WeakPolarHBondContact O-CB 3.49Å; E459-R472 WeakPolarHBondContact O-CG 3.33Å; K460-R472 HydrophobicContact CG-CB 4.2Å
473	R	85.4	Confident	89.1	Confident	130 Å²	130	67.3 Å²	67.3	49%	0.491	36%	0.356	S	S	.	.	S	Bend	trans	-138.6	134.2	172.8	-65.5	-179.5	177.2	165.6	-3.5	109.7	Y462 S475 H476 L477	Y462-R473 VanDerWaalsContact CD2-C 3.45Å; R473-S475 VanDerWaalsContact C-N 3.26Å; R473-S475 PolarHBondContact O-N 3.21Å; R473-H476 HydrophobicContact CB-CB 4.47Å; R473-H476 WeakPolarHBondContact O-CB 3.48Å; R473-H476 PolarHBondContact O-N 2.68Å; R473-L477 PolarHBondContact O-N 2.92Å
474	S	87.9	Confident	88.9	Confident	55 Å²	55	65.3 Å²	65.3	39%	0.385	35%	0.346	S	S	.	.	H	α-helix	trans	-57.3	-36.2	176.2	51.7	0	0	0	0	113.1	H476 L477 I478	S474-H476 PolarHBondContact O-N 3.42Å; S474-L477 WeakPolarHBondContact O-CB 3.27Å; S474-L477 PolarHBondContact O-N 3.27Å; S474-I478 WeakPolarHBondContact O-CG1 3.46Å; S474-I478 PolarHBondContact O-N 2.76Å
475	S	86.1	Confident	88.6	Confident	77 Å²	77	69.3 Å²	69.3	54%	0.538	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-23.9	175.5	56.5	0	0	0	0	114	R473 G479	R473-S475 VanDerWaalsContact C-N 3.26Å; R473-S475 PolarHBondContact O-N 3.21Å; S475-G479 PolarHBondContact O-N 3.01Å
476	H	88.3	Confident	88.4	Confident	99 Å²	99	64.3 Å²	64.3	46%	0.458	35%	0.353	S	S	.	.	H	α-helix	trans	-81.9	-37.3	174.1	-65.6	-157.1	0	0	0	110.7	F471 R473 S474 G479 H480	F471-H476 HydrophobicContact CB-CB 4.4Å; F471-H476 HydrophobicContact CD1-CB 3.86Å; F471-H476 HydrophobicContact CG-CB 4.43Å; R473-H476 HydrophobicContact CB-CB 4.47Å; R473-H476 WeakPolarHBondContact O-CB 3.48Å; R473-H476 PolarHBondContact O-N 2.68Å; S474-H476 PolarHBondContact O-N 3.42Å; H476-G479 PolarHBondContact O-N 3.36Å; H476-H480 WeakPolarHBondContact O-CB 3.46Å; H476-H480 PolarHBondContact O-N 3.48Å
477	L	91.3	Very high	88.4	Confident	22 Å²	22	64 Å²	64	12%	0.115	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-52.5	171	170.1	61.5	0	0	0	111.3	E463 C464 F471 R473 S474 G479 H480 Q481	E463-L477 VanDerWaalsContact O-CD1 3.25Å; E463-L477 WeakPolarHBondContact O-CD1 3.28Å; E463-L477 WeakPolarHBondContact O-CD2 3.31Å; C464-L477 HydrophobicContact CB-CD1 3.53Å; F471-L477 HydrophobicContact CB-CB 4.24Å; F471-L477 HydrophobicContact CD2-CB 4.1Å; F471-L477 HydrophobicContact CD2-CD1 4.02Å; F471-L477 HydrophobicContact CE2-CD1 4.36Å; F471-L477 HydrophobicContact CG-CB 4.29Å; R473-L477 PolarHBondContact O-N 2.92Å; S474-L477 WeakPolarHBondContact O-CB 3.27Å; S474-L477 PolarHBondContact O-N 3.27Å; L477-G479 VanDerWaalsContact C-N 3.26Å; L477-G479 PolarHBondContact O-N 2.93Å; L477-H480 CarbonylContact O-C 3.49Å; L477-H480 WeakPolarHBondContact O-CA 3.4Å; L477-H480 WeakPolarHBondContact O-CB 3.44Å; L477-H480 PolarHBondContact O-N 3.1Å; L477-Q481 HydrophobicContact CD1-CG 4.02Å; L477-Q481 HydrophobicContact CG-CG 4.46Å; L477-Q481 PolarHBondContact O-N 3.41Å
478	I	87.9	Confident	88.3	Confident	84 Å²	84	67.4 Å²	67.4	43%	0.431	36%	0.361	S	S	.	.	H	α-helix	trans	-59.7	-39.2	177.7	-64.3	162.6	0	0	0	110.8	S474 H480	S474-I478 WeakPolarHBondContact O-CG1 3.46Å; S474-I478 PolarHBondContact O-N 2.76Å; I478-H480 PolarHBondContact O-N 3.45Å
479	G	86.9	Confident	88.3	Confident	15 Å²	15	68.8 Å²	68.8	16%	0.155	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-18.8	173.7	0	0	0	0	0	114.5	S475 H476 L477	S475-G479 PolarHBondContact O-N 3.01Å; H476-G479 PolarHBondContact O-N 3.36Å; L477-G479 VanDerWaalsContact C-N 3.26Å; L477-G479 PolarHBondContact O-N 2.93Å
480	H	89.2	Confident	88.4	Confident	26 Å²	26	67 Å²	67	12%	0.12	35%	0.353	C	S	.	.	H	α-helix	trans	-94.9	-36.7	176.5	172.7	47	0	0	0	113	C467 F471 H476 L477 I478 R482 S483 H484	C467-H480 PolarHBondContact SG-NE2 3.19Å; F471-H480 HydrophobicContact CE1-CB 4.1Å; F471-H480 HydrophobicContact CE2-CB 4.05Å; F471-H480 AromaticContact CE2-CD2 3.25Å; F471-H480 WeakPolarHBondContact CE2-CD2 3.36Å; F471-H480 AromaticContact CE2-CG 3.84Å; F471-H480 HydrophobicContact CZ-CB 3.59Å; F471-H480 AromaticContact CZ-CD2 3.26Å; F471-H480 WeakPolarHBondContact CZ-CD2 3.49Å; F471-H480 AromaticContact CZ-CG 3.42Å; F471-H480 VanDerWaalsContact CZ-CG 3.42Å; H476-H480 WeakPolarHBondContact O-CB 3.46Å; H476-H480 PolarHBondContact O-N 3.48Å; L477-H480 CarbonylContact O-C 3.49Å; L477-H480 WeakPolarHBondContact O-CA 3.4Å; L477-H480 WeakPolarHBondContact O-CB 3.44Å; L477-H480 PolarHBondContact O-N 3.1Å; I478-H480 PolarHBondContact O-N 3.45Å; H480-R482 PolarHBondContact O-N 2.96Å; H480-S483 PolarHBondContact CE1-OG 3.43Å; H480-S483 PolarHBondContact ND1-OG 3.44Å; H480-S483 WeakPolarHBondContact O-CA 3.36Å; H480-S483 WeakPolarHBondContact O-CB 3.47Å; H480-S483 PolarHBondContact O-N 3.48Å; H480-S483 PolarHBondContact O-OG 3.04Å; H480-H484 AromaticContact CE1-CE1 3.97Å; H480-H484 AromaticContact CE1-NE2 3.47Å; H480-H484 PolarHBondContact CE1-NE2 2.83Å; H480-H484 AromaticContact NE2-NE2 3.29Å; H480-H484 PolarHBondContact NE2-NE2 3.22Å
481	Q	88.8	Confident	88.4	Confident	56 Å²	56	71.1 Å²	71.1	26%	0.262	37%	0.366	S	S	.	.	H	α-helix	trans	-55.6	-36.5	174	-73.7	167.3	-50.3	0	0	111.2	L477 S483 H484 T485	L477-Q481 HydrophobicContact CD1-CG 4.02Å; L477-Q481 HydrophobicContact CG-CG 4.46Å; L477-Q481 PolarHBondContact O-N 3.41Å; Q481-S483 PolarHBondContact O-N 3.06Å; Q481-H484 PolarHBondContact O-N 3.02Å; Q481-T485 PolarHBondContact O-N 3.28Å; Q481-T485 VanDerWaalsContact O-N 3.08Å
482	R	89.8	Confident	88.6	Confident	56 Å²	56	69 Å²	69	21%	0.211	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-15.9	169.8	-67.2	-171.7	-178.2	144.3	9.6	116.2	H480 G486 E487 S500	H480-R482 PolarHBondContact O-N 2.96Å; R482-G486 CarbonylContact O-C 3.47Å; R482-G486 WeakPolarHBondContact O-CA 3.5Å; R482-G486 PolarHBondContact O-N 3.04Å; R482-E487 HydrophobicContact CB-CB 4.13Å; R482-E487 HydrophobicContact CG-CB 3.86Å; R482-E487 IonicContact NE-OE2 3.23Å; R482-E487 PolarHBondContact O-N 3.38Å; R482-S500 PolarHBondContact NH1-O 3.29Å
483	S	87.8	Confident	88.8	Confident	77 Å²	77	74.3 Å²	74.3	54%	0.538	39%	0.389	S	S	.	.	H	α-helix	trans	-86	-15.6	173.2	68.9	0	0	0	0	113.4	H480 Q481	H480-S483 PolarHBondContact CE1-OG 3.43Å; H480-S483 PolarHBondContact ND1-OG 3.44Å; H480-S483 WeakPolarHBondContact O-CA 3.36Å; H480-S483 WeakPolarHBondContact O-CB 3.47Å; H480-S483 PolarHBondContact O-N 3.48Å; H480-S483 PolarHBondContact O-OG 3.04Å; Q481-S483 PolarHBondContact O-N 3.06Å
484	H	87.8	Confident	89	Confident	68 Å²	68	73.2 Å²	73.2	32%	0.315	39%	0.39	S	S	.	.	H	α-helix	trans	-88.8	-53.2	167.9	-57.8	-66.4	0	0	0	110.9	E466 C467 H480 Q481 G486	E466-H484 IonicContact OE1-CD2 3.91Å; E466-H484 PolarHBondContact OE1-CD2 3.17Å; E466-H484 IonicContact OE1-CG 3.89Å; E466-H484 WeakPolarHBondContact OE2-CB 3.36Å; E466-H484 IonicContact OE2-CD2 3.6Å; E466-H484 IonicContact OE2-CG 3.68Å; C467-H484 VanDerWaalsContact SG-CE1 3.53Å; C467-H484 PolarHBondContact SG-NE2 2.81Å; H480-H484 AromaticContact CE1-CE1 3.97Å; H480-H484 AromaticContact CE1-NE2 3.47Å; H480-H484 PolarHBondContact CE1-NE2 2.83Å; H480-H484 AromaticContact NE2-NE2 3.29Å; H480-H484 PolarHBondContact NE2-NE2 3.22Å; Q481-H484 PolarHBondContact O-N 3.02Å; H484-G486 PolarHBondContact O-N 3.38Å; H484-G486 VanDerWaalsContact O-N 3.1Å
485	T	87.1	Confident	89.1	Confident	83 Å²	83	73.3 Å²	73.3	51%	0.509	39%	0.39	S	S	.	.	S	Bend	trans	-68.4	-9.7	179.5	65.7	0	0	0	0	114.1	Q481 E487	Q481-T485 PolarHBondContact O-N 3.28Å; Q481-T485 VanDerWaalsContact O-N 3.08Å; T485-E487 PolarHBondContact O-N 2.82Å; T485-E487 VanDerWaalsContact O-N 3.15Å; T485-E487 WeakPolarHBondContact OG1-CB 3.37Å; T485-E487 WeakPolarHBondContact OG1-CG 3.34Å; T485-E487 PolarHBondContact OG1-N 3.24Å
486	G	86.4	Confident	89.2	Confident	39 Å²	39	72.1 Å²	72.1	40%	0.402	39%	0.39	S	S	.	.			trans	70.5	1.4	-176.4	0	0	0	0	0	114.8	R482 H484 K488	R482-G486 CarbonylContact O-C 3.47Å; R482-G486 WeakPolarHBondContact O-CA 3.5Å; R482-G486 PolarHBondContact O-N 3.04Å; H484-G486 PolarHBondContact O-N 3.38Å; H484-G486 VanDerWaalsContact O-N 3.1Å; G486-K488 WeakPolarHBondContact O-CG 3.14Å; G486-K488 PolarHBondContact O-N 3.15Å
487	E	88.7	Confident	89.3	Confident	104 Å²	104	75 Å²	75	49%	0.486	40%	0.396	S	S	.	.			trans	-54.3	124	-176.1	-90.3	-171.4	-166.3	0	0	113.1	R482 T485 S500	R482-E487 HydrophobicContact CB-CB 4.13Å; R482-E487 HydrophobicContact CG-CB 3.86Å; R482-E487 IonicContact NE-OE2 3.23Å; R482-E487 PolarHBondContact O-N 3.38Å; T485-E487 PolarHBondContact O-N 2.82Å; T485-E487 VanDerWaalsContact O-N 3.15Å; T485-E487 WeakPolarHBondContact OG1-CB 3.37Å; T485-E487 WeakPolarHBondContact OG1-CG 3.34Å; T485-E487 PolarHBondContact OG1-N 3.24Å; E487-S500 WeakPolarHBondContact O-CB 3.48Å
488	K	89.9	Confident	89.3	Confident	120 Å²	120	75.5 Å²	75.5	52%	0.522	40%	0.404	S	S	.	.			trans	-127.8	74.8	177.2	-70.5	155.8	-171.3	166.3	0	110.6	G486 Y490 A498 F499	G486-K488 WeakPolarHBondContact O-CG 3.14Å; G486-K488 PolarHBondContact O-N 3.15Å; K488-Y490 PolarHBondContact O-N 3.22Å; K488-A498 HydrophobicContact CB-CB 3.52Å; K488-A498 HydrophobicContact CD-CB 4.29Å; K488-A498 HydrophobicContact CG-CB 4.41Å; K488-F499 CarbonylContact C-O 3.39Å; K488-F499 VanDerWaalsContact C-O 3.24Å; K488-F499 VanDerWaalsContact CA-O 3.27Å; K488-F499 WeakPolarHBondContact CA-O 3.47Å
489	P	89.4	Confident	89.4	Confident	70 Å²	70	73.4 Å²	73.4	46%	0.455	39%	0.392	S	S	.	.			trans	-65.8	-21.7	-174.5	-21.8	34.8	0	0	0	114.1	K491	P489-K491 PolarHBondContact O-N 3.43Å
490	Y	91.6	Very high	89.4	Confident	75 Å²	75	74.5 Å²	74.5	29%	0.294	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	87.1	-174.7	-53.1	-73.3	0	0	0	110	K488 F499 S500 K502	K488-Y490 PolarHBondContact O-N 3.22Å; Y490-F499 WeakPolarHBondContact CB-O 3.46Å; Y490-F499 WeakPolarHBondContact CD2-O 3.32Å; Y490-F499 PolarHBondContact N-O 3.46Å; Y490-F499 VanDerWaalsContact N-O 3.07Å; Y490-F499 PolarHBondContact O-N 3.44Å; Y490-S500 WeakPolarHBondContact CE2-O 3.36Å; Y490-K502 HydrophobicContact CD1-CB 3.93Å; Y490-K502 HydrophobicContact CD1-CG 4.25Å; Y490-K502 HydrophobicContact CD2-CB 4.45Å; Y490-K502 VanDerWaalsContact CD2-N 3.33Å; Y490-K502 HydrophobicContact CE1-CB 3.81Å; Y490-K502 HydrophobicContact CE1-CG 4.32Å; Y490-K502 HydrophobicContact CE2-CB 4.33Å; Y490-K502 HydrophobicContact CG-CB 4.26Å
491	K	91.6	Very high	89.2	Confident	145 Å²	145	78 Å²	78	63%	0.63	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	143	174.2	-62.8	-175.8	179.5	-179.7	0	111	P489 A498 L505	P489-K491 PolarHBondContact O-N 3.43Å; K491-A498 HydrophobicContact CG-CB 3.95Å; K491-L505 WeakPolarHBondContact O-CD2 3.41Å
492	C	93	Very high	89.2	Confident	2 Å²	2	81.5 Å²	81.5	1%	0.014	43%	0.428	C	S	.	.			trans	-85	127.4	166.3	-179.1	0	0	0	0	109.5	E494 G496 R497 L505	C492-E494 VanDerWaalsContact C-N 3.29Å; C492-E494 PolarHBondContact O-N 2.88Å; C492-G496 WeakPolarHBondContact O-CA 3.21Å; C492-G496 PolarHBondContact O-N 2.89Å; C492-R497 WeakPolarHBondContact CB-O 3.37Å; C492-R497 PolarHBondContact N-O 2.75Å; C492-L505 HydrophobicContact CB-CD1 3.61Å
493	N	90.8	Very high	89.1	Confident	157 Å²	157	82.1 Å²	82.1	84%	0.84	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.1	-178.1	-64.2	-4.1	0	0	0	112.6
494	E	89.1	Confident	89.1	Confident	107 Å²	107	79.5 Å²	79.5	50%	0.5	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-25.7	-171.8	-63.5	153.5	-105.1	0	0	113	C492 H512	C492-E494 VanDerWaalsContact C-N 3.29Å; C492-E494 PolarHBondContact O-N 2.88Å; E494-H512 WeakPolarHBondContact OE2-CB 3.49Å; E494-H512 IonicContact OE2-CD2 3.49Å; E494-H512 PolarHBondContact OE2-CD2 2.9Å; E494-H512 IonicContact OE2-CG 2.72Å
495	C	90.3	Very high	89.2	Confident	58 Å²	58	77.2 Å²	77.2	39%	0.392	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	8.9	-179.6	69.6	0	0	0	0	114.6	R497 H508 H512	C495-R497 PolarHBondContact O-N 3.21Å; C495-R497 VanDerWaalsContact SG-CB 3.57Å; C495-H508 PolarHBondContact SG-NE2 2.74Å; C495-H512 VanDerWaalsContact CB-NE2 3.26Å; C495-H512 WeakPolarHBondContact CB-NE2 3.29Å; C495-H512 PolarHBondContact SG-NE2 3.15Å
496	G	88.1	Confident	89.3	Confident	52 Å²	52	77 Å²	77	54%	0.536	41%	0.41	S	S	.	.			trans	69.6	-12.1	-178.8	0	0	0	0	0	116	C492 A498	C492-G496 WeakPolarHBondContact O-CA 3.21Å; C492-G496 PolarHBondContact O-N 2.89Å; G496-A498 PolarHBondContact O-N 3.16Å
497	R	90.6	Very high	89.3	Confident	159 Å²	159	78.9 Å²	78.9	60%	0.6	41%	0.409	S	S	*	.			trans	-62.1	130.3	-171.9	-168.8	173.3	-175.5	158	5.7	112	C492 C495 F499	C492-R497 WeakPolarHBondContact CB-O 3.37Å; C492-R497 PolarHBondContact N-O 2.75Å; C495-R497 PolarHBondContact O-N 3.21Å; C495-R497 VanDerWaalsContact SG-CB 3.57Å; R497-F499 HydrophobicContact CB-CE2 4.13Å; R497-F499 HydrophobicContact CB-CZ 4.47Å; R497-F499 HydrophobicContact CG-CE2 3.86Å; R497-F499 HydrophobicContact CG-CZ 3.82Å; R497-F499 WeakPolarHBondContact O-CE2 3.37Å
498	A	91.3	Very high	89.3	Confident	33 Å²	33	74.8 Å²	74.8	27%	0.273	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.1	-171.2	0	0	0	0	0	113.3	K488 K491 G496	K488-A498 HydrophobicContact CB-CB 3.52Å; K488-A498 HydrophobicContact CD-CB 4.29Å; K488-A498 HydrophobicContact CG-CB 4.41Å; K491-A498 HydrophobicContact CG-CB 3.95Å; G496-A498 PolarHBondContact O-N 3.16Å
499	F	88.7	Confident	89.2	Confident	39 Å²	39	72.3 Å²	72.3	17%	0.171	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.7	-176.7	-58.8	-94.6	0	0	0	111.7	K488 Y490 R497 L505 H508	K488-F499 CarbonylContact C-O 3.39Å; K488-F499 VanDerWaalsContact C-O 3.24Å; K488-F499 VanDerWaalsContact CA-O 3.27Å; K488-F499 WeakPolarHBondContact CA-O 3.47Å; Y490-F499 WeakPolarHBondContact CB-O 3.46Å; Y490-F499 WeakPolarHBondContact CD2-O 3.32Å; Y490-F499 PolarHBondContact N-O 3.46Å; Y490-F499 VanDerWaalsContact N-O 3.07Å; Y490-F499 PolarHBondContact O-N 3.44Å; R497-F499 HydrophobicContact CB-CE2 4.13Å; R497-F499 HydrophobicContact CB-CZ 4.47Å; R497-F499 HydrophobicContact CG-CE2 3.86Å; R497-F499 HydrophobicContact CG-CZ 3.82Å; R497-F499 WeakPolarHBondContact O-CE2 3.37Å; F499-L505 HydrophobicContact CB-CB 4.49Å; F499-L505 HydrophobicContact CD2-CB 4.1Å; F499-L505 HydrophobicContact CD2-CD1 4.14Å; F499-L505 HydrophobicContact CE2-CD1 4.33Å; F499-L505 HydrophobicContact CG-CB 4.43Å; F499-H508 HydrophobicContact CE1-CB 4.09Å; F499-H508 HydrophobicContact CE2-CB 3.94Å; F499-H508 AromaticContact CE2-CD2 3.29Å; F499-H508 WeakPolarHBondContact CE2-CD2 3.18Å; F499-H508 AromaticContact CE2-CG 3.76Å; F499-H508 HydrophobicContact CZ-CB 3.48Å; F499-H508 VanDerWaalsContact CZ-CB 3.48Å; F499-H508 AromaticContact CZ-CD2 3.36Å; F499-H508 WeakPolarHBondContact CZ-CD2 2.89Å; F499-H508 AromaticContact CZ-CG 3.36Å
500	S	87.2	Confident	89.2	Confident	38 Å²	38	71.4 Å²	71.4	27%	0.266	37%	0.367	S	S	.	.	S	Bend	trans	-80.5	-15.8	176.7	55.5	0	0	0	0	113.7	R482 E487 Y490	R482-S500 PolarHBondContact NH1-O 3.29Å; E487-S500 WeakPolarHBondContact O-CB 3.48Å; Y490-S500 WeakPolarHBondContact CE2-O 3.36Å
501	Q	86.5	Confident	88.9	Confident	100 Å²	100	72.6 Å²	72.6	47%	0.467	38%	0.378	S	S	.	.	S	Bend	trans	-131.7	139.4	178.9	-57.8	-174.6	8.2	0	0	111.9	S503 G504 L505	Q501-S503 VanDerWaalsContact C-N 3.27Å; Q501-S503 WeakPolarHBondContact CB-OG 3.44Å; Q501-S503 PolarHBondContact O-N 3.04Å; Q501-S503 PolarHBondContact OE1-OG 3.49Å; Q501-G504 PolarHBondContact O-N 3.39Å; Q501-L505 PolarHBondContact O-N 3.16Å
502	K	88.2	Confident	88.7	Confident	130 Å²	130	70.2 Å²	70.2	57%	0.565	37%	0.369	S	S	*	.	H	α-helix	trans	-62.2	-31.5	180	-171.2	175.7	-179.8	177	0	113.2	Y490 L505 I506	Y490-K502 HydrophobicContact CD1-CB 3.93Å; Y490-K502 HydrophobicContact CD1-CG 4.25Å; Y490-K502 HydrophobicContact CD2-CB 4.45Å; Y490-K502 VanDerWaalsContact CD2-N 3.33Å; Y490-K502 HydrophobicContact CE1-CB 3.81Å; Y490-K502 HydrophobicContact CE1-CG 4.32Å; Y490-K502 HydrophobicContact CE2-CB 4.33Å; Y490-K502 HydrophobicContact CG-CB 4.26Å; K502-L505 PolarHBondContact O-N 2.83Å; K502-I506 HydrophobicContact CG-CD1 4.05Å; K502-I506 HydrophobicContact CG-CG1 4.49Å; K502-I506 WeakPolarHBondContact O-CG1 3.24Å; K502-I506 PolarHBondContact O-N 3.35Å
503	S	86.7	Confident	88.4	Confident	69 Å²	69	74.2 Å²	74.2	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-56.4	-47	173.8	39.6	0	0	0	0	112.2	Q501 L505 I506 E507	Q501-S503 VanDerWaalsContact C-N 3.27Å; Q501-S503 WeakPolarHBondContact CB-OG 3.44Å; Q501-S503 PolarHBondContact O-N 3.04Å; Q501-S503 PolarHBondContact OE1-OG 3.49Å; S503-L505 PolarHBondContact O-N 3Å; S503-I506 PolarHBondContact O-N 3.31Å; S503-E507 PolarHBondContact O-N 3.42Å
504	G	87.6	Confident	88.2	Confident	21 Å²	21	69 Å²	69	22%	0.216	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-36.5	178.4	0	0	0	0	0	113	Q501 H508	Q501-G504 PolarHBondContact O-N 3.39Å; G504-H508 WeakPolarHBondContact O-CB 3.49Å; G504-H508 PolarHBondContact O-N 3.22Å
505	L	90.6	Very high	88.1	Confident	20 Å²	20	69 Å²	69	11%	0.105	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-47.1	172.2	175.1	60.4	0	0	0	111.5	K491 C492 F499 Q501 K502 S503 E507 H508 Q509	K491-L505 WeakPolarHBondContact O-CD2 3.41Å; C492-L505 HydrophobicContact CB-CD1 3.61Å; F499-L505 HydrophobicContact CB-CB 4.49Å; F499-L505 HydrophobicContact CD2-CB 4.1Å; F499-L505 HydrophobicContact CD2-CD1 4.14Å; F499-L505 HydrophobicContact CE2-CD1 4.33Å; F499-L505 HydrophobicContact CG-CB 4.43Å; Q501-L505 PolarHBondContact O-N 3.16Å; K502-L505 PolarHBondContact O-N 2.83Å; S503-L505 PolarHBondContact O-N 3Å; L505-E507 PolarHBondContact O-N 2.88Å; L505-H508 WeakPolarHBondContact O-CB 3.28Å; L505-H508 PolarHBondContact O-N 3.37Å; L505-Q509 HydrophobicContact CD1-CG 4.08Å; L505-Q509 HydrophobicContact CG-CG 4.49Å; L505-Q509 WeakPolarHBondContact O-CG 3.49Å; L505-Q509 PolarHBondContact O-N 2.91Å
506	I	88.7	Confident	87.9	Confident	78 Å²	78	73.2 Å²	73.2	40%	0.4	39%	0.385	S	S	.	.	H	α-helix	trans	-63.7	-41.9	179.9	-66.8	166.1	0	0	0	111.5	K502 S503 H508 Q509	K502-I506 HydrophobicContact CG-CD1 4.05Å; K502-I506 HydrophobicContact CG-CG1 4.49Å; K502-I506 WeakPolarHBondContact O-CG1 3.24Å; K502-I506 PolarHBondContact O-N 3.35Å; S503-I506 PolarHBondContact O-N 3.31Å; I506-H508 VanDerWaalsContact C-N 3.3Å; I506-H508 PolarHBondContact O-N 3.01Å; I506-Q509 PolarHBondContact O-N 3.03Å
507	E	86.2	Confident	87.9	Confident	80 Å²	80	74 Å²	74	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-66.8	-32.6	175.5	-175.6	166.3	-143.8	0	0	112.1	S503 L505 G529	S503-E507 PolarHBondContact O-N 3.42Å; L505-E507 PolarHBondContact O-N 2.88Å; E507-G529 WeakPolarHBondContact OE1-CA 3.2Å
508	H	88.9	Confident	87.8	Confident	17 Å²	17	69.9 Å²	69.9	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-71.6	-40.8	175.1	175.3	50.4	0	0	0	113.4	C495 F499 G504 L505 I506 R510 I511	C495-H508 PolarHBondContact SG-NE2 2.74Å; F499-H508 HydrophobicContact CE1-CB 4.09Å; F499-H508 HydrophobicContact CE2-CB 3.94Å; F499-H508 AromaticContact CE2-CD2 3.29Å; F499-H508 WeakPolarHBondContact CE2-CD2 3.18Å; F499-H508 AromaticContact CE2-CG 3.76Å; F499-H508 HydrophobicContact CZ-CB 3.48Å; F499-H508 VanDerWaalsContact CZ-CB 3.48Å; F499-H508 AromaticContact CZ-CD2 3.36Å; F499-H508 WeakPolarHBondContact CZ-CD2 2.89Å; F499-H508 AromaticContact CZ-CG 3.36Å; G504-H508 WeakPolarHBondContact O-CB 3.49Å; G504-H508 PolarHBondContact O-N 3.22Å; L505-H508 WeakPolarHBondContact O-CB 3.28Å; L505-H508 PolarHBondContact O-N 3.37Å; I506-H508 VanDerWaalsContact C-N 3.3Å; I506-H508 PolarHBondContact O-N 3.01Å; H508-R510 PolarHBondContact O-N 2.84Å; H508-R510 VanDerWaalsContact O-N 3.16Å; H508-I511 VanDerWaalsContact O-CB 3.23Å; H508-I511 WeakPolarHBondContact O-CB 3.37Å; H508-I511 WeakPolarHBondContact O-CG1 3.16Å; H508-I511 PolarHBondContact O-N 3.35Å
509	Q	88.9	Confident	87.8	Confident	69 Å²	69	75.4 Å²	75.4	32%	0.322	38%	0.383	S	S	.	.	H	α-helix	trans	-59	-28.6	178.9	-74.1	-179.2	-78.1	0	0	112.8	L505 I506 I511 H512 T513	L505-Q509 HydrophobicContact CD1-CG 4.08Å; L505-Q509 HydrophobicContact CG-CG 4.49Å; L505-Q509 WeakPolarHBondContact O-CG 3.49Å; L505-Q509 PolarHBondContact O-N 2.91Å; I506-Q509 PolarHBondContact O-N 3.03Å; Q509-I511 PolarHBondContact O-N 2.74Å; Q509-I511 VanDerWaalsContact O-N 3.12Å; Q509-H512 PolarHBondContact O-N 2.8Å; Q509-T513 PolarHBondContact O-N 3.04Å
510	R	88.9	Confident	88	Confident	50 Å²	50	73.7 Å²	73.7	19%	0.189	38%	0.376	C	S	.	.	H	α-helix	trans	-59.9	-18.7	171.8	-66.1	-177.8	178.1	150.9	5.8	114.7	H508 T513 G514 E515 N528	H508-R510 PolarHBondContact O-N 2.84Å; H508-R510 VanDerWaalsContact O-N 3.16Å; R510-T513 WeakPolarHBondContact CA-OG1 3.34Å; R510-G514 CarbonylContact O-C 3.24Å; R510-G514 WeakPolarHBondContact O-CA 3.35Å; R510-G514 PolarHBondContact O-N 3.28Å; R510-G514 VanDerWaalsContact O-N 3.14Å; R510-E515 HydrophobicContact CB-CB 4.2Å; R510-E515 HydrophobicContact CG-CB 4.01Å; R510-E515 PolarHBondContact O-N 3.2Å; R510-N528 HydrophobicContact CB-CB 4.23Å; R510-N528 WeakPolarHBondContact CD-O 3.41Å; R510-N528 PolarHBondContact NH1-O 2.73Å
511	I	86.1	Confident	88.1	Confident	101 Å²	101	81.9 Å²	81.9	52%	0.518	41%	0.407	S	S	.	.	H	α-helix	trans	-73.4	-35.3	174.5	-57.6	179.3	0	0	0	110.2	H508 Q509	H508-I511 VanDerWaalsContact O-CB 3.23Å; H508-I511 WeakPolarHBondContact O-CB 3.37Å; H508-I511 WeakPolarHBondContact O-CG1 3.16Å; H508-I511 PolarHBondContact O-N 3.35Å; Q509-I511 PolarHBondContact O-N 2.74Å; Q509-I511 VanDerWaalsContact O-N 3.12Å
512	H	87.5	Confident	88.2	Confident	95 Å²	95	82.9 Å²	82.9	44%	0.44	41%	0.411	S	S	.	.	H	α-helix	trans	-81.2	-43.8	177.7	-56.1	-53.1	0	0	0	112	E494 C495 Q509 G514	E494-H512 WeakPolarHBondContact OE2-CB 3.49Å; E494-H512 IonicContact OE2-CD2 3.49Å; E494-H512 PolarHBondContact OE2-CD2 2.9Å; E494-H512 IonicContact OE2-CG 2.72Å; C495-H512 VanDerWaalsContact CB-NE2 3.26Å; C495-H512 WeakPolarHBondContact CB-NE2 3.29Å; C495-H512 PolarHBondContact SG-NE2 3.15Å; Q509-H512 PolarHBondContact O-N 2.8Å; H512-G514 PolarHBondContact O-N 3.49Å
513	T	86.2	Confident	88.3	Confident	85 Å²	85	79 Å²	79	52%	0.521	40%	0.4	S	S	.	.	S	Bend	trans	-74.2	-10	177.4	65	0	0	0	0	113.8	Q509 R510 E515	Q509-T513 PolarHBondContact O-N 3.04Å; R510-T513 WeakPolarHBondContact CA-OG1 3.34Å; T513-E515 PolarHBondContact O-N 3.37Å; T513-E515 WeakPolarHBondContact OG1-CB 3.3Å; T513-E515 WeakPolarHBondContact OG1-CG 3.49Å; T513-E515 PolarHBondContact OG1-N 3.3Å
514	G	85.1	Confident	88.4	Confident	49 Å²	49	78.3 Å²	78.3	51%	0.505	40%	0.403	S	S	.	.			trans	68.7	5.8	-174.5	0	0	0	0	0	114.5	R510 H512 R516	R510-G514 CarbonylContact O-C 3.24Å; R510-G514 WeakPolarHBondContact O-CA 3.35Å; R510-G514 PolarHBondContact O-N 3.28Å; R510-G514 VanDerWaalsContact O-N 3.14Å; H512-G514 PolarHBondContact O-N 3.49Å; G514-R516 PolarHBondContact O-N 3.24Å
515	E	87.5	Confident	88.4	Confident	106 Å²	106	83.4 Å²	83.4	50%	0.495	42%	0.42	S	S	.	.			trans	-60.7	122.4	-178.2	-84.6	-173.5	-169.7	0	0	112.3	R510 T513	R510-E515 HydrophobicContact CB-CB 4.2Å; R510-E515 HydrophobicContact CG-CB 4.01Å; R510-E515 PolarHBondContact O-N 3.2Å; T513-E515 PolarHBondContact O-N 3.37Å; T513-E515 WeakPolarHBondContact OG1-CB 3.3Å; T513-E515 WeakPolarHBondContact OG1-CG 3.49Å; T513-E515 PolarHBondContact OG1-N 3.3Å
516	R	87.1	Confident	88.4	Confident	147 Å²	147	83.4 Å²	83.4	56%	0.555	42%	0.422	S	S	*	.			trans	-126.9	75.1	176.7	-65.2	166.8	80.9	146.5	3.3	110	G514 Y518 A526 F527	G514-R516 PolarHBondContact O-N 3.24Å; R516-Y518 VanDerWaalsContact C-N 3.26Å; R516-Y518 PolarHBondContact O-N 3.48Å; R516-A526 HydrophobicContact CB-CB 3.54Å; R516-A526 PolarHBondContact NE-O 2.97Å; R516-A526 PolarHBondContact NH2-O 3.09Å; R516-F527 CarbonylContact C-O 3.19Å; R516-F527 VanDerWaalsContact CA-O 3.26Å; R516-F527 WeakPolarHBondContact CA-O 3.18Å
517	P	87.6	Confident	88.3	Confident	68 Å²	68	81.7 Å²	81.7	44%	0.442	41%	0.412	S	S	.	.			trans	-65.3	-27.2	-172.3	-21.8	34.5	0	0	0	113.8	K519	P517-K519 PolarHBondContact O-N 3.45Å
518	Y	89.1	Confident	88.2	Confident	73 Å²	73	80.6 Å²	80.6	29%	0.286	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	89.9	-172	-54.9	-75.2	0	0	0	110.5	R516 A526 F527 N528 N530	R516-Y518 VanDerWaalsContact C-N 3.26Å; R516-Y518 PolarHBondContact O-N 3.48Å; Y518-A526 CarbonylContact O-C 3.57Å; Y518-A526 WeakPolarHBondContact O-CA 3.09Å; Y518-F527 WeakPolarHBondContact CD2-O 3.44Å; Y518-F527 PolarHBondContact N-O 3.29Å; Y518-F527 VanDerWaalsContact N-O 3.14Å; Y518-F527 PolarHBondContact O-N 3.11Å; Y518-N528 WeakPolarHBondContact CE2-O 3.43Å; Y518-N530 HydrophobicContact CD1-CB 3.91Å; Y518-N530 HydrophobicContact CD2-CB 4.46Å; Y518-N530 HydrophobicContact CE1-CB 3.69Å; Y518-N530 HydrophobicContact CE2-CB 4.24Å; Y518-N530 HydrophobicContact CG-CB 4.31Å
519	K	90.3	Very high	88	Confident	149 Å²	149	79.9 Å²	79.9	65%	0.648	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.3	178.9	-62.2	-175.7	179.7	-179.8	0	111.8	P517 A526	P517-K519 PolarHBondContact O-N 3.45Å; K519-A526 HydrophobicContact CG-CB 3.93Å
520	C	92.6	Very high	87.9	Confident	3 Å²	3	80.1 Å²	80.1	2%	0.02	41%	0.409	C	S	.	.			trans	-69.6	127.8	167.3	177.5	0	0	0	0	109.8	G524 K525 L533 H536 H540	C520-G524 VanDerWaalsContact O-CA 3.24Å; C520-G524 WeakPolarHBondContact O-CA 3.47Å; C520-G524 PolarHBondContact O-N 3.2Å; C520-K525 WeakPolarHBondContact CB-O 3.5Å; C520-K525 PolarHBondContact N-O 3.03Å; C520-L533 HydrophobicContact CB-CD1 3.83Å; C520-H536 PolarHBondContact SG-NE2 3.35Å; C520-H540 PolarHBondContact SG-NE2 3.3Å
521	K	89.9	Confident	87.8	Confident	210 Å²	210	82.8 Å²	82.8	91%	0.913	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-31	178.8	-66.5	-172.1	177.5	-175.2	0	113
522	E	88.9	Confident	87.8	Confident	121 Å²	121	78.9 Å²	78.9	57%	0.565	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-32	-171.4	-66.3	162.2	-111.1	0	0	113.6	H540	E522-H540 WeakPolarHBondContact OE2-CB 3.27Å; E522-H540 IonicContact OE2-CD2 3.87Å; E522-H540 IonicContact OE2-CG 3.53Å
523	C	90.2	Very high	88	Confident	49 Å²	49	75.4 Å²	75.4	33%	0.331	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	14.2	-178.9	73.6	0	0	0	0	114.7	K525 H536 H540	C523-K525 PolarHBondContact O-N 3.36Å; C523-H536 PolarHBondContact SG-NE2 3.29Å; C523-H540 WeakPolarHBondContact CB-CE1 3.36Å; C523-H540 PolarHBondContact SG-CE1 3.05Å; C523-H540 PolarHBondContact SG-NE2 3.13Å
524	G	87.6	Confident	88.1	Confident	53 Å²	53	75.1 Å²	75.1	55%	0.546	40%	0.395	S	S	.	.			trans	68.7	-14.5	176.7	0	0	0	0	0	116.5	C520 A526	C520-G524 VanDerWaalsContact O-CA 3.24Å; C520-G524 WeakPolarHBondContact O-CA 3.47Å; C520-G524 PolarHBondContact O-N 3.2Å; G524-A526 PolarHBondContact O-N 2.81Å
525	K	89.1	Confident	88.2	Confident	129 Å²	129	76.6 Å²	76.6	56%	0.561	39%	0.388	S	S	*	.			trans	-57.1	126.8	-175.9	-71.2	-179.3	-177.9	175.6	0	111.6	C520 C523 F527	C520-K525 WeakPolarHBondContact CB-O 3.5Å; C520-K525 PolarHBondContact N-O 3.03Å; C523-K525 PolarHBondContact O-N 3.36Å; K525-F527 HydrophobicContact CB-CE2 4.01Å; K525-F527 HydrophobicContact CB-CZ 4.21Å; K525-F527 WeakPolarHBondContact O-CE2 3.44Å
526	A	89.8	Confident	88.3	Confident	19 Å²	19	72.2 Å²	72.2	16%	0.157	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.9	-175.4	0	0	0	0	0	112.3	R516 Y518 K519 G524	R516-A526 HydrophobicContact CB-CB 3.54Å; R516-A526 PolarHBondContact NE-O 2.97Å; R516-A526 PolarHBondContact NH2-O 3.09Å; Y518-A526 CarbonylContact O-C 3.57Å; Y518-A526 WeakPolarHBondContact O-CA 3.09Å; K519-A526 HydrophobicContact CG-CB 3.93Å; G524-A526 PolarHBondContact O-N 2.81Å
527	F	87.2	Confident	88.4	Confident	42 Å²	42	67.9 Å²	67.9	18%	0.184	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.7	-178.7	-59	-91.4	0	0	0	111.3	R516 Y518 K525 L533 H536	R516-F527 CarbonylContact C-O 3.19Å; R516-F527 VanDerWaalsContact CA-O 3.26Å; R516-F527 WeakPolarHBondContact CA-O 3.18Å; Y518-F527 WeakPolarHBondContact CD2-O 3.44Å; Y518-F527 PolarHBondContact N-O 3.29Å; Y518-F527 VanDerWaalsContact N-O 3.14Å; Y518-F527 PolarHBondContact O-N 3.11Å; K525-F527 HydrophobicContact CB-CE2 4.01Å; K525-F527 HydrophobicContact CB-CZ 4.21Å; K525-F527 WeakPolarHBondContact O-CE2 3.44Å; F527-L533 HydrophobicContact CB-CB 4.45Å; F527-L533 HydrophobicContact CD2-CB 4.07Å; F527-L533 HydrophobicContact CD2-CD1 4.06Å; F527-L533 HydrophobicContact CE2-CD1 4.28Å; F527-L533 HydrophobicContact CG-CB 4.44Å; F527-H536 HydrophobicContact CE1-CB 4.07Å; F527-H536 HydrophobicContact CE2-CB 3.85Å; F527-H536 AromaticContact CE2-CD2 3.36Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.33Å; F527-H536 AromaticContact CE2-CG 3.69Å; F527-H536 HydrophobicContact CZ-CB 3.46Å; F527-H536 VanDerWaalsContact CZ-CB 3.46Å; F527-H536 AromaticContact CZ-CD2 3.54Å; F527-H536 AromaticContact CZ-CG 3.38Å
528	N	84.1	Confident	88.5	Confident	58 Å²	58	67.1 Å²	67.1	31%	0.31	34%	0.344	S	S	.	.	S	Bend	trans	-77.7	-30.5	177.7	57.6	-21.5	0	0	0	112.9	R510 Y518	R510-N528 HydrophobicContact CB-CB 4.23Å; R510-N528 WeakPolarHBondContact CD-O 3.41Å; R510-N528 PolarHBondContact NH1-O 2.73Å; Y518-N528 WeakPolarHBondContact CE2-O 3.43Å
529	G	85.1	Confident	88.5	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.01	36%	0.356	C	S	.	.	S	Bend	trans	-121.3	145.4	176.4	0	0	0	0	0	113.3	E507 T531 G532 L533	E507-G529 WeakPolarHBondContact OE1-CA 3.2Å; G529-T531 VanDerWaalsContact C-N 3.27Å; G529-T531 PolarHBondContact O-N 3.27Å; G529-G532 PolarHBondContact O-N 2.97Å; G529-G532 VanDerWaalsContact O-N 3.15Å; G529-L533 PolarHBondContact O-N 3.31Å
530	N	86.8	Confident	88.4	Confident	75 Å²	75	65.4 Å²	65.4	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-31.9	-178.9	-171.2	41.9	0	0	0	112.6	Y518 G532 L533 I534	Y518-N530 HydrophobicContact CD1-CB 3.91Å; Y518-N530 HydrophobicContact CD2-CB 4.46Å; Y518-N530 HydrophobicContact CE1-CB 3.69Å; Y518-N530 HydrophobicContact CE2-CB 4.24Å; Y518-N530 HydrophobicContact CG-CB 4.31Å; N530-G532 VanDerWaalsContact C-N 3.28Å; N530-G532 PolarHBondContact O-N 3.31Å; N530-L533 PolarHBondContact O-N 3.06Å; N530-I534 WeakPolarHBondContact O-CG1 3.41Å; N530-I534 PolarHBondContact O-N 2.78Å
531	T	86.1	Confident	88.1	Confident	106 Å²	106	69.2 Å²	69.2	65%	0.65	37%	0.366	S	S	*	.	H	α-helix	trans	-59.1	-38.9	173.9	46	0	0	0	0	112	G529 Q535	G529-T531 VanDerWaalsContact C-N 3.27Å; G529-T531 PolarHBondContact O-N 3.27Å; T531-Q535 VanDerWaalsContact O-CB 3.22Å; T531-Q535 WeakPolarHBondContact O-CB 3.48Å; T531-Q535 PolarHBondContact O-N 2.92Å
532	G	86.8	Confident	88	Confident	18 Å²	18	61.2 Å²	61.2	19%	0.186	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-42.6	174.2	0	0	0	0	0	112.5	G529 N530 Q535 H536	G529-G532 PolarHBondContact O-N 2.97Å; G529-G532 VanDerWaalsContact O-N 3.15Å; N530-G532 VanDerWaalsContact C-N 3.28Å; N530-G532 PolarHBondContact O-N 3.31Å; G532-Q535 PolarHBondContact O-N 3Å; G532-H536 VanDerWaalsContact O-CB 3.3Å; G532-H536 WeakPolarHBondContact O-CB 3.33Å; G532-H536 PolarHBondContact O-N 3.24Å
533	L	90	Very high	87.9	Confident	22 Å²	22	60.3 Å²	60.3	12%	0.115	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-48.7	174.5	175.8	60.6	0	0	0	111.7	C520 F527 G529 N530 Q535 H536 L537	C520-L533 HydrophobicContact CB-CD1 3.83Å; F527-L533 HydrophobicContact CB-CB 4.45Å; F527-L533 HydrophobicContact CD2-CB 4.07Å; F527-L533 HydrophobicContact CD2-CD1 4.06Å; F527-L533 HydrophobicContact CE2-CD1 4.28Å; F527-L533 HydrophobicContact CG-CB 4.44Å; G529-L533 PolarHBondContact O-N 3.31Å; N530-L533 PolarHBondContact O-N 3.06Å; L533-Q535 VanDerWaalsContact C-N 3.33Å; L533-Q535 PolarHBondContact O-N 3.21Å; L533-H536 CarbonylContact O-C 3.53Å; L533-H536 WeakPolarHBondContact O-CB 3.33Å; L533-H536 PolarHBondContact O-N 3.2Å; L533-H536 VanDerWaalsContact O-N 3.1Å; L533-L537 HydrophobicContact CD1-CD1 4.27Å; L533-L537 HydrophobicContact CD1-CD2 4.41Å; L533-L537 HydrophobicContact CD1-CG 4.08Å; L533-L537 HydrophobicContact CG-CD1 4.13Å; L533-L537 HydrophobicContact CG-CG 4.39Å; L533-L537 WeakPolarHBondContact O-CG 3.3Å; L533-L537 PolarHBondContact O-N 3.45Å
534	I	88.7	Confident	87.9	Confident	80 Å²	80	63.7 Å²	63.7	41%	0.41	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-42.9	178.7	-67.3	166.7	0	0	0	111.1	N530 H536 L537 R538	N530-I534 WeakPolarHBondContact O-CG1 3.41Å; N530-I534 PolarHBondContact O-N 2.78Å; I534-H536 VanDerWaalsContact C-N 3.27Å; I534-H536 PolarHBondContact O-N 2.75Å; I534-L537 PolarHBondContact O-N 2.76Å; I534-R538 PolarHBondContact O-N 3.44Å
535	Q	87.6	Confident	87.9	Confident	79 Å²	79	64.5 Å²	64.5	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-33.9	175.8	-178.3	-179.7	90.9	0	0	112.4	T531 G532 L533 Q557	T531-Q535 VanDerWaalsContact O-CB 3.22Å; T531-Q535 WeakPolarHBondContact O-CB 3.48Å; T531-Q535 PolarHBondContact O-N 2.92Å; G532-Q535 PolarHBondContact O-N 3Å; L533-Q535 VanDerWaalsContact C-N 3.33Å; L533-Q535 PolarHBondContact O-N 3.21Å; Q535-Q557 VanDerWaalsContact CD-CD 3.41Å; Q535-Q557 HydrophobicContact CG-CG 3.99Å; Q535-Q557 VanDerWaalsContact OE1-NE2 3.07Å
536	H	89.7	Confident	88	Confident	15 Å²	15	61.9 Å²	61.9	7%	0.069	33%	0.331	C	S	.	.	H	α-helix	trans	-75.5	-37.7	176.1	168.9	55.1	0	0	0	113	C520 C523 F527 G532 L533 I534 R538 I539 H540	C520-H536 PolarHBondContact SG-NE2 3.35Å; C523-H536 PolarHBondContact SG-NE2 3.29Å; F527-H536 HydrophobicContact CE1-CB 4.07Å; F527-H536 HydrophobicContact CE2-CB 3.85Å; F527-H536 AromaticContact CE2-CD2 3.36Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.33Å; F527-H536 AromaticContact CE2-CG 3.69Å; F527-H536 HydrophobicContact CZ-CB 3.46Å; F527-H536 VanDerWaalsContact CZ-CB 3.46Å; F527-H536 AromaticContact CZ-CD2 3.54Å; F527-H536 AromaticContact CZ-CG 3.38Å; G532-H536 VanDerWaalsContact O-CB 3.3Å; G532-H536 WeakPolarHBondContact O-CB 3.33Å; G532-H536 PolarHBondContact O-N 3.24Å; L533-H536 CarbonylContact O-C 3.53Å; L533-H536 WeakPolarHBondContact O-CB 3.33Å; L533-H536 PolarHBondContact O-N 3.2Å; L533-H536 VanDerWaalsContact O-N 3.1Å; I534-H536 VanDerWaalsContact C-N 3.27Å; I534-H536 PolarHBondContact O-N 2.75Å; H536-R538 PolarHBondContact O-N 3.11Å; H536-I539 VanDerWaalsContact O-CB 3.22Å; H536-I539 WeakPolarHBondContact O-CB 3.41Å; H536-I539 WeakPolarHBondContact O-CG1 3.46Å; H536-I539 PolarHBondContact O-N 3.35Å; H536-H540 AromaticContact CD2-NE2 3.29Å; H536-H540 PolarHBondContact CD2-NE2 3.46Å; H536-H540 VanDerWaalsContact CD2-NE2 3.29Å; H536-H540 AromaticContact CE1-NE2 2.64Å; H536-H540 PolarHBondContact CE1-NE2 3.04Å; H536-H540 AromaticContact ND1-NE2 3.73Å; H536-H540 AromaticContact NE2-CD2 3.91Å; H536-H540 AromaticContact NE2-NE2 2.24Å; H536-H540 PolarHBondContact NE2-NE2 3.43Å
537	L	89.3	Confident	88	Confident	56 Å²	56	66.5 Å²	66.5	29%	0.293	35%	0.349	S	S	.	.	H	α-helix	trans	-59.6	-32.8	177.7	-71.9	170.3	0	0	0	112.4	L533 I534 I539 H540 T541	L533-L537 HydrophobicContact CD1-CD1 4.27Å; L533-L537 HydrophobicContact CD1-CD2 4.41Å; L533-L537 HydrophobicContact CD1-CG 4.08Å; L533-L537 HydrophobicContact CG-CD1 4.13Å; L533-L537 HydrophobicContact CG-CG 4.39Å; L533-L537 WeakPolarHBondContact O-CG 3.3Å; L533-L537 PolarHBondContact O-N 3.45Å; I534-L537 PolarHBondContact O-N 2.76Å; L537-I539 PolarHBondContact O-N 3.2Å; L537-I539 VanDerWaalsContact O-N 3.14Å; L537-H540 PolarHBondContact O-N 2.99Å; L537-T541 PolarHBondContact O-N 3.41Å
538	R	90.6	Very high	88.2	Confident	52 Å²	52	64.5 Å²	64.5	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-17.1	171.5	-67	-178.5	-179.8	166.8	2.3	115	I534 H536 G542 E543 I556	I534-R538 PolarHBondContact O-N 3.44Å; H536-R538 PolarHBondContact O-N 3.11Å; R538-G542 CarbonylContact O-C 3.5Å; R538-G542 WeakPolarHBondContact O-CA 3.45Å; R538-G542 PolarHBondContact O-N 3.44Å; R538-G542 VanDerWaalsContact O-N 3.15Å; R538-E543 HydrophobicContact CB-CB 4.19Å; R538-E543 HydrophobicContact CG-CB 4Å; R538-E543 PolarHBondContact O-N 2.74Å; R538-I556 HydrophobicContact CB-CG2 3.65Å; R538-I556 PolarHBondContact NH1-O 2.92Å
539	I	88.1	Confident	88.4	Confident	106 Å²	106	69.2 Å²	69.2	54%	0.544	37%	0.366	S	S	.	.	H	α-helix	trans	-74.2	-35.5	172.7	-54.6	177.3	0	0	0	109.9	H536 L537 I556	H536-I539 VanDerWaalsContact O-CB 3.22Å; H536-I539 WeakPolarHBondContact O-CB 3.41Å; H536-I539 WeakPolarHBondContact O-CG1 3.46Å; H536-I539 PolarHBondContact O-N 3.35Å; L537-I539 PolarHBondContact O-N 3.2Å; L537-I539 VanDerWaalsContact O-N 3.14Å; I539-I556 HydrophobicContact CG1-CD1 3.96Å
540	H	88.2	Confident	88.5	Confident	80 Å²	80	74.5 Å²	74.5	37%	0.37	39%	0.39	S	S	.	.	H	α-helix	trans	-79.7	-44.8	177	-57	-65.9	0	0	0	112	C520 E522 C523 H536 L537 G542	C520-H540 PolarHBondContact SG-NE2 3.3Å; E522-H540 WeakPolarHBondContact OE2-CB 3.27Å; E522-H540 IonicContact OE2-CD2 3.87Å; E522-H540 IonicContact OE2-CG 3.53Å; C523-H540 WeakPolarHBondContact CB-CE1 3.36Å; C523-H540 PolarHBondContact SG-CE1 3.05Å; C523-H540 PolarHBondContact SG-NE2 3.13Å; H536-H540 AromaticContact CD2-NE2 3.29Å; H536-H540 PolarHBondContact CD2-NE2 3.46Å; H536-H540 VanDerWaalsContact CD2-NE2 3.29Å; H536-H540 AromaticContact CE1-NE2 2.64Å; H536-H540 PolarHBondContact CE1-NE2 3.04Å; H536-H540 AromaticContact ND1-NE2 3.73Å; H536-H540 AromaticContact NE2-CD2 3.91Å; H536-H540 AromaticContact NE2-NE2 2.24Å; H536-H540 PolarHBondContact NE2-NE2 3.43Å; L537-H540 PolarHBondContact O-N 2.99Å; H540-G542 PolarHBondContact O-N 3.11Å
541	T	87.1	Confident	88.7	Confident	83 Å²	83	73.5 Å²	73.5	51%	0.509	39%	0.389	S	S	.	.	S	Bend	trans	-73.8	-9.8	177.1	66.9	0	0	0	0	113.7	L537 E543	L537-T541 PolarHBondContact O-N 3.41Å; T541-E543 PolarHBondContact O-N 3.11Å; T541-E543 VanDerWaalsContact O-N 3.16Å; T541-E543 WeakPolarHBondContact OG1-CG 3.4Å; T541-E543 PolarHBondContact OG1-OE1 2.86Å
542	G	86.4	Confident	88.7	Confident	42 Å²	42	70.2 Å²	70.2	43%	0.433	38%	0.376	S	S	.	.			trans	70.2	0.7	-176.2	0	0	0	0	0	115	R538 H540 K544	R538-G542 CarbonylContact O-C 3.5Å; R538-G542 WeakPolarHBondContact O-CA 3.45Å; R538-G542 PolarHBondContact O-N 3.44Å; R538-G542 VanDerWaalsContact O-N 3.15Å; H540-G542 PolarHBondContact O-N 3.11Å; G542-K544 PolarHBondContact O-N 3.16Å
543	E	88.1	Confident	88.8	Confident	101 Å²	101	75.3 Å²	75.3	47%	0.472	39%	0.393	S	S	.	.			trans	-55.8	124.1	-178.1	-84.8	174.5	-138.7	0	0	112.8	R538 T541 P545	R538-E543 HydrophobicContact CB-CB 4.19Å; R538-E543 HydrophobicContact CG-CB 4Å; R538-E543 PolarHBondContact O-N 2.74Å; T541-E543 PolarHBondContact O-N 3.11Å; T541-E543 VanDerWaalsContact O-N 3.16Å; T541-E543 WeakPolarHBondContact OG1-CG 3.4Å; T541-E543 PolarHBondContact OG1-OE1 2.86Å; E543-P545 WeakPolarHBondContact O-CD 3.46Å
544	K	88.9	Confident	88.8	Confident	120 Å²	120	76.2 Å²	76.2	52%	0.522	40%	0.403	S	S	.	.			trans	-125	73.6	177.8	-70.8	160.1	-173.5	173.6	0	110.8	G542 Y546 A554 F555 I556	G542-K544 PolarHBondContact O-N 3.16Å; K544-Y546 PolarHBondContact O-N 3.35Å; K544-A554 HydrophobicContact CB-CB 3.65Å; K544-A554 HydrophobicContact CD-CB 4.4Å; K544-F555 CarbonylContact C-O 3.54Å; K544-F555 VanDerWaalsContact C-O 3.27Å; K544-F555 WeakPolarHBondContact CA-O 3.39Å; K544-I556 HydrophobicContact CG-CG1 3.89Å
545	P	89.1	Confident	88.8	Confident	70 Å²	70	74.7 Å²	74.7	46%	0.455	39%	0.394	S	S	.	.			trans	-70.1	-5.9	-170.1	-20.2	34.8	0	0	0	115.3	E543	E543-P545 WeakPolarHBondContact O-CD 3.46Å
546	Y	89.7	Confident	88.7	Confident	75 Å²	75	72.9 Å²	72.9	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	90.5	-175.7	-53.7	-68.2	0	0	0	110	K544 F555 I556 R558	K544-Y546 PolarHBondContact O-N 3.35Å; Y546-F555 WeakPolarHBondContact CD2-O 3.38Å; Y546-F555 PolarHBondContact N-O 3.14Å; Y546-F555 PolarHBondContact O-N 3.27Å; Y546-I556 WeakPolarHBondContact CE2-O 3.46Å; Y546-R558 HydrophobicContact CD1-CB 4.07Å; Y546-R558 HydrophobicContact CD1-CG 4.43Å; Y546-R558 HydrophobicContact CD2-CB 4.43Å; Y546-R558 VanDerWaalsContact CD2-N 3.28Å; Y546-R558 HydrophobicContact CE1-CB 3.99Å; Y546-R558 HydrophobicContact CE2-CB 4.33Å; Y546-R558 HydrophobicContact CG-CB 4.3Å
547	Q	90.4	Very high	88.6	Confident	115 Å²	115	75 Å²	75	54%	0.537	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.6	175.9	-160.7	169.9	16.4	0	0	111.6	G552 A554 L561	Q547-G552 VanDerWaalsContact CG-O 3.31Å; Q547-G552 WeakPolarHBondContact CG-O 3.1Å; Q547-G552 PolarHBondContact NE2-O 3.24Å; Q547-A554 HydrophobicContact CG-CB 4.4Å; Q547-L561 WeakPolarHBondContact O-CD2 3.44Å
548	C	91.5	Very high	88.6	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.007	41%	0.412	C	S	.	.			trans	-85.9	120.6	167.8	168.9	0	0	0	0	109.2	E550 C551 G552 K553 L561 H568	C548-E550 VanDerWaalsContact C-N 3.26Å; C548-E550 PolarHBondContact O-N 2.7Å; C548-E550 PolarHBondContact SG-OE2 2.89Å; C548-C551 VanDerWaalsContact SG-SG 3.61Å; C548-G552 VanDerWaalsContact O-CA 3.24Å; C548-G552 WeakPolarHBondContact O-CA 3.33Å; C548-G552 PolarHBondContact O-N 2.73Å; C548-K553 WeakPolarHBondContact CB-O 3.34Å; C548-K553 PolarHBondContact N-O 3.36Å; C548-L561 HydrophobicContact CB-CD1 3.59Å; C548-H568 PolarHBondContact SG-NE2 3.02Å; C548-H568 VanDerWaalsContact SG-NE2 3.35Å
549	N	88.8	Confident	88.5	Confident	157 Å²	157	81.1 Å²	81.1	84%	0.84	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.8	-178.9	-62.8	-0.9	0	0	0	112.4
550	E	87.4	Confident	88.5	Confident	112 Å²	112	77.6 Å²	77.6	52%	0.523	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-26.8	-174.5	-60	134	129.8	0	0	113.5	C548 H568	C548-E550 VanDerWaalsContact C-N 3.26Å; C548-E550 PolarHBondContact O-N 2.7Å; C548-E550 PolarHBondContact SG-OE2 2.89Å; E550-H568 IonicContact OE2-CD2 3.41Å; E550-H568 PolarHBondContact OE2-CD2 3.49Å
551	C	90.3	Very high	88.7	Confident	54 Å²	54	74.6 Å²	74.6	37%	0.365	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.6	13.6	-177.9	75.5	0	0	0	0	115.1	C548 K553 H564 H568	C548-C551 VanDerWaalsContact SG-SG 3.61Å; C551-K553 PolarHBondContact O-N 3.24Å; C551-H564 PolarHBondContact SG-NE2 2.68Å; C551-H568 PolarHBondContact SG-NE2 2.82Å; C551-H568 VanDerWaalsContact SG-NE2 3.42Å
552	G	86.4	Confident	88.7	Confident	37 Å²	37	74 Å²	74	38%	0.381	39%	0.39	S	S	.	.			trans	69.8	-7.4	175.6	0	0	0	0	0	116.6	Q547 C548 A554	Q547-G552 VanDerWaalsContact CG-O 3.31Å; Q547-G552 WeakPolarHBondContact CG-O 3.1Å; Q547-G552 PolarHBondContact NE2-O 3.24Å; C548-G552 VanDerWaalsContact O-CA 3.24Å; C548-G552 WeakPolarHBondContact O-CA 3.33Å; C548-G552 PolarHBondContact O-N 2.73Å; G552-A554 PolarHBondContact O-N 3.39Å
553	K	88.6	Confident	88.9	Confident	125 Å²	125	80.5 Å²	80.5	54%	0.543	40%	0.402	S	S	.	.			trans	-65.9	129.1	-176.1	-69.9	176.9	-174.8	171.4	0	111.8	C548 C551 F555	C548-K553 WeakPolarHBondContact CB-O 3.34Å; C548-K553 PolarHBondContact N-O 3.36Å; C551-K553 PolarHBondContact O-N 3.24Å; K553-F555 HydrophobicContact CB-CE2 3.88Å; K553-F555 HydrophobicContact CB-CZ 4.07Å; K553-F555 VanDerWaalsContact O-CE2 3.31Å; K553-F555 WeakPolarHBondContact O-CE2 3.23Å
554	A	89.8	Confident	88.9	Confident	41 Å²	41	76.5 Å²	76.5	34%	0.339	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.8	-175.8	0	0	0	0	0	113.1	K544 Q547 G552	K544-A554 HydrophobicContact CB-CB 3.65Å; K544-A554 HydrophobicContact CD-CB 4.4Å; Q547-A554 HydrophobicContact CG-CB 4.4Å; G552-A554 PolarHBondContact O-N 3.39Å
555	F	88.5	Confident	88.9	Confident	48 Å²	48	74.1 Å²	74.1	21%	0.211	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.4	-173.2	-59.3	-90.2	0	0	0	112.9	K544 Y546 K553 Q557 L561 H564	K544-F555 CarbonylContact C-O 3.54Å; K544-F555 VanDerWaalsContact C-O 3.27Å; K544-F555 WeakPolarHBondContact CA-O 3.39Å; Y546-F555 WeakPolarHBondContact CD2-O 3.38Å; Y546-F555 PolarHBondContact N-O 3.14Å; Y546-F555 PolarHBondContact O-N 3.27Å; K553-F555 HydrophobicContact CB-CE2 3.88Å; K553-F555 HydrophobicContact CB-CZ 4.07Å; K553-F555 VanDerWaalsContact O-CE2 3.31Å; K553-F555 WeakPolarHBondContact O-CE2 3.23Å; F555-Q557 VanDerWaalsContact C-N 3.33Å; F555-L561 HydrophobicContact CB-CB 4.46Å; F555-L561 HydrophobicContact CD2-CB 4.07Å; F555-L561 HydrophobicContact CD2-CD1 3.99Å; F555-L561 HydrophobicContact CE2-CD1 4.18Å; F555-L561 HydrophobicContact CG-CB 4.45Å; F555-H564 HydrophobicContact CE1-CB 4.22Å; F555-H564 HydrophobicContact CE2-CB 4Å; F555-H564 AromaticContact CE2-CD2 3.35Å; F555-H564 WeakPolarHBondContact CE2-CD2 3.46Å; F555-H564 AromaticContact CE2-CG 3.84Å; F555-H564 HydrophobicContact CZ-CB 3.61Å; F555-H564 AromaticContact CZ-CD2 3.37Å; F555-H564 WeakPolarHBondContact CZ-CD2 3.42Å; F555-H564 AromaticContact CZ-CG 3.45Å; F555-H564 VanDerWaalsContact CZ-CG 3.45Å
556	I	87	Confident	88.8	Confident	40 Å²	40	76.2 Å²	76.2	21%	0.205	37%	0.372	C	S	.	.	S	Bend	trans	-72	-27.4	176.6	-61.8	179.4	0	0	0	112	R538 I539 K544 Y546	R538-I556 HydrophobicContact CB-CG2 3.65Å; R538-I556 PolarHBondContact NH1-O 2.92Å; I539-I556 HydrophobicContact CG1-CD1 3.96Å; K544-I556 HydrophobicContact CG-CG1 3.89Å; Y546-I556 WeakPolarHBondContact CE2-O 3.46Å
557	Q	87.3	Confident	88.6	Confident	61 Å²	61	78.7 Å²	78.7	29%	0.285	39%	0.39	S	S	.	.	S	Bend	trans	-128.5	140.5	-174.5	-46.5	-172.7	10.1	0	0	112.3	Q535 F555 S559 S560 L561	Q535-Q557 VanDerWaalsContact CD-CD 3.41Å; Q535-Q557 HydrophobicContact CG-CG 3.99Å; Q535-Q557 VanDerWaalsContact OE1-NE2 3.07Å; F555-Q557 VanDerWaalsContact C-N 3.33Å; Q557-S559 VanDerWaalsContact C-N 3.3Å; Q557-S559 VanDerWaalsContact CB-OG 3.3Å; Q557-S559 WeakPolarHBondContact CB-OG 3.39Å; Q557-S559 PolarHBondContact O-N 3.16Å; Q557-S559 PolarHBondContact OE1-OG 3.44Å; Q557-S560 WeakPolarHBondContact O-CB 3.42Å; Q557-S560 PolarHBondContact O-N 2.9Å; Q557-L561 PolarHBondContact O-N 3.33Å
558	R	88.1	Confident	88.3	Confident	167 Å²	167	76.9 Å²	76.9	63%	0.63	38%	0.381	S	S	*	.	H	α-helix	trans	-63.3	-34	175.4	-169.7	-176.3	179.3	-164.3	-0.6	112.6	Y546 S560 L561 I562	Y546-R558 HydrophobicContact CD1-CB 4.07Å; Y546-R558 HydrophobicContact CD1-CG 4.43Å; Y546-R558 HydrophobicContact CD2-CB 4.43Å; Y546-R558 VanDerWaalsContact CD2-N 3.28Å; Y546-R558 HydrophobicContact CE1-CB 3.99Å; Y546-R558 HydrophobicContact CE2-CB 4.33Å; Y546-R558 HydrophobicContact CG-CB 4.3Å; R558-S560 VanDerWaalsContact C-N 3.35Å; R558-S560 PolarHBondContact O-N 2.89Å; R558-L561 PolarHBondContact O-N 3.47Å; R558-I562 HydrophobicContact CG-CD1 3.95Å; R558-I562 HydrophobicContact CG-CG1 4.38Å; R558-I562 WeakPolarHBondContact O-CG1 3.46Å; R558-I562 PolarHBondContact O-N 3.49Å
559	S	88.7	Confident	87.6	Confident	69 Å²	69	80 Å²	80	48%	0.483	40%	0.403	S	S	.	.	H	α-helix	trans	-56.2	-45.9	172	42.3	0	0	0	0	112.2	Q557 I562 R563	Q557-S559 VanDerWaalsContact C-N 3.3Å; Q557-S559 VanDerWaalsContact CB-OG 3.3Å; Q557-S559 WeakPolarHBondContact CB-OG 3.39Å; Q557-S559 PolarHBondContact O-N 3.16Å; Q557-S559 PolarHBondContact OE1-OG 3.44Å; S559-I562 PolarHBondContact O-N 3.09Å; S559-R563 WeakPolarHBondContact O-CB 3.39Å; S559-R563 PolarHBondContact O-N 3.39Å
560	S	89.4	Confident	86.6	Confident	31 Å²	31	75.4 Å²	75.4	22%	0.217	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-39	176.5	-59.9	0	0	0	0	112.4	Q557 R558 H564	Q557-S560 WeakPolarHBondContact O-CB 3.42Å; Q557-S560 PolarHBondContact O-N 2.9Å; R558-S560 VanDerWaalsContact C-N 3.35Å; R558-S560 PolarHBondContact O-N 2.89Å; S560-H564 WeakPolarHBondContact O-CB 3.41Å; S560-H564 PolarHBondContact O-N 2.87Å
561	L	91	Very high	85.3	Confident	18 Å²	18	76.2 Å²	76.2	9%	0.094	40%	0.396	C	S	.	.	H	α-helix	trans	-62.9	-51	173.2	173.8	60.7	0	0	0	111.3	Q547 C548 F555 Q557 R558 R563 H564 Q565	Q547-L561 WeakPolarHBondContact O-CD2 3.44Å; C548-L561 HydrophobicContact CB-CD1 3.59Å; F555-L561 HydrophobicContact CB-CB 4.46Å; F555-L561 HydrophobicContact CD2-CB 4.07Å; F555-L561 HydrophobicContact CD2-CD1 3.99Å; F555-L561 HydrophobicContact CE2-CD1 4.18Å; F555-L561 HydrophobicContact CG-CB 4.45Å; Q557-L561 PolarHBondContact O-N 3.33Å; R558-L561 PolarHBondContact O-N 3.47Å; L561-R563 VanDerWaalsContact C-N 3.32Å; L561-R563 PolarHBondContact O-N 3.2Å; L561-H564 CarbonylContact O-C 3.22Å; L561-H564 WeakPolarHBondContact O-CA 3.23Å; L561-H564 WeakPolarHBondContact O-CB 3.26Å; L561-H564 PolarHBondContact O-N 3.3Å; L561-Q565 HydrophobicContact CD1-CG 3.95Å; L561-Q565 HydrophobicContact CG-CG 4.34Å; L561-Q565 WeakPolarHBondContact O-CG 3.42Å; L561-Q565 PolarHBondContact O-N 2.77Å
562	I	88.5	Confident	83.4	Confident	69 Å²	69	83.2 Å²	83.2	35%	0.354	42%	0.42	S	S	.	.	H	α-helix	trans	-59.2	-43.5	179.9	-68.7	165.3	0	0	0	111	R558 S559 H564 Q565 R566	R558-I562 HydrophobicContact CG-CD1 3.95Å; R558-I562 HydrophobicContact CG-CG1 4.38Å; R558-I562 WeakPolarHBondContact O-CG1 3.46Å; R558-I562 PolarHBondContact O-N 3.49Å; S559-I562 PolarHBondContact O-N 3.09Å; I562-H564 VanDerWaalsContact C-N 3.25Å; I562-H564 PolarHBondContact O-N 2.9Å; I562-Q565 PolarHBondContact O-N 3.02Å; I562-R566 PolarHBondContact O-N 3.23Å
563	R	89.1	Confident	81.7	Confident	179 Å²	179	85.4 Å²	85.4	68%	0.675	43%	0.43	S	S	*	.	H	α-helix	trans	-63.4	-31.9	174.8	-175.2	176.8	64.7	-178.4	-0.2	112.4	S559 L561	S559-R563 WeakPolarHBondContact O-CB 3.39Å; S559-R563 PolarHBondContact O-N 3.39Å; L561-R563 VanDerWaalsContact C-N 3.32Å; L561-R563 PolarHBondContact O-N 3.2Å
564	H	88.9	Confident	79.4	Confident	18 Å²	18	88.1 Å²	88.1	8%	0.083	45%	0.445	C	S	.	.	H	α-helix	trans	-74.3	-38.8	174.9	175.1	46.5	0	0	0	112.6	C551 F555 S560 L561 I562 R566 I567 H568	C551-H564 PolarHBondContact SG-NE2 2.68Å; F555-H564 HydrophobicContact CE1-CB 4.22Å; F555-H564 HydrophobicContact CE2-CB 4Å; F555-H564 AromaticContact CE2-CD2 3.35Å; F555-H564 WeakPolarHBondContact CE2-CD2 3.46Å; F555-H564 AromaticContact CE2-CG 3.84Å; F555-H564 HydrophobicContact CZ-CB 3.61Å; F555-H564 AromaticContact CZ-CD2 3.37Å; F555-H564 WeakPolarHBondContact CZ-CD2 3.42Å; F555-H564 AromaticContact CZ-CG 3.45Å; F555-H564 VanDerWaalsContact CZ-CG 3.45Å; S560-H564 WeakPolarHBondContact O-CB 3.41Å; S560-H564 PolarHBondContact O-N 2.87Å; L561-H564 CarbonylContact O-C 3.22Å; L561-H564 WeakPolarHBondContact O-CA 3.23Å; L561-H564 WeakPolarHBondContact O-CB 3.26Å; L561-H564 PolarHBondContact O-N 3.3Å; I562-H564 VanDerWaalsContact C-N 3.25Å; I562-H564 PolarHBondContact O-N 2.9Å; H564-R566 PolarHBondContact O-N 2.9Å; H564-I567 VanDerWaalsContact O-CB 3.22Å; H564-I567 WeakPolarHBondContact O-CB 3.22Å; H564-I567 WeakPolarHBondContact O-CG1 3.35Å; H564-I567 PolarHBondContact O-N 2.69Å; H564-H568 AromaticContact CD2-NE2 3.89Å; H564-H568 AromaticContact CE1-CE1 3.6Å; H564-H568 AromaticContact CE1-NE2 3.32Å; H564-H568 PolarHBondContact CE1-NE2 3.07Å; H564-H568 VanDerWaalsContact CE1-NE2 3.32Å; H564-H568 AromaticContact NE2-CE1 3.78Å; H564-H568 AromaticContact NE2-NE2 3.12Å; H564-H568 PolarHBondContact NE2-NE2 3.07Å; H564-H568 VanDerWaalsContact NE2-NE2 3.12Å
565	Q	87.9	Confident	77	Confident	69 Å²	69	91.8 Å²	91.8	32%	0.322	47%	0.467	S	S	.	.	H	α-helix	trans	-61.7	-31.5	177.7	-69.4	179	-77.8	0	0	112.5	L561 I562 I567 H568 S569	L561-Q565 HydrophobicContact CD1-CG 3.95Å; L561-Q565 HydrophobicContact CG-CG 4.34Å; L561-Q565 WeakPolarHBondContact O-CG 3.42Å; L561-Q565 PolarHBondContact O-N 2.77Å; I562-Q565 PolarHBondContact O-N 3.02Å; Q565-I567 PolarHBondContact O-N 3.02Å; Q565-I567 VanDerWaalsContact O-N 3.12Å; Q565-H568 WeakPolarHBondContact O-CA 3.41Å; Q565-H568 PolarHBondContact O-N 3.37Å; Q565-S569 PolarHBondContact O-N 3.33Å
566	R	87.6	Confident	74.5	Confident	114 Å²	114	97.8 Å²	97.8	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-59.1	-20.1	170.5	-67.7	-177.8	-174.3	177.2	-0.9	114.8	I562 H564 H568 S569 G570	I562-R566 PolarHBondContact O-N 3.23Å; H564-R566 PolarHBondContact O-N 2.9Å; R566-H568 VanDerWaalsContact C-N 3.33Å; R566-S569 WeakPolarHBondContact CA-OG 3.39Å; R566-G570 PolarHBondContact O-N 2.74Å; R566-G570 VanDerWaalsContact O-N 3.17Å
567	I	85.5	Confident	72.4	Confident	128 Å²	128	99 Å²	99	66%	0.656	52%	0.522	S	S	*	.	H	α-helix	trans	-75.3	-28.6	174.6	-51.8	178.9	0	0	0	110.4	H564 Q565	H564-I567 VanDerWaalsContact O-CB 3.22Å; H564-I567 WeakPolarHBondContact O-CB 3.22Å; H564-I567 WeakPolarHBondContact O-CG1 3.35Å; H564-I567 PolarHBondContact O-N 2.69Å; Q565-I567 PolarHBondContact O-N 3.02Å; Q565-I567 VanDerWaalsContact O-N 3.12Å
568	H	83.3	Confident	69.8	Low	77 Å²	77	106.5 Å²	106.5	36%	0.356	57%	0.572	S	S	.	*	H	α-helix	trans	-87.3	-38.3	175.7	-51.4	-50.7	0	0	0	112.1	C548 E550 C551 H564 Q565 R566 G570	C548-H568 PolarHBondContact SG-NE2 3.02Å; C548-H568 VanDerWaalsContact SG-NE2 3.35Å; E550-H568 IonicContact OE2-CD2 3.41Å; E550-H568 PolarHBondContact OE2-CD2 3.49Å; C551-H568 PolarHBondContact SG-NE2 2.82Å; C551-H568 VanDerWaalsContact SG-NE2 3.42Å; H564-H568 AromaticContact CD2-NE2 3.89Å; H564-H568 AromaticContact CE1-CE1 3.6Å; H564-H568 AromaticContact CE1-NE2 3.32Å; H564-H568 PolarHBondContact CE1-NE2 3.07Å; H564-H568 VanDerWaalsContact CE1-NE2 3.32Å; H564-H568 AromaticContact NE2-CE1 3.78Å; H564-H568 AromaticContact NE2-NE2 3.12Å; H564-H568 PolarHBondContact NE2-NE2 3.07Å; H564-H568 VanDerWaalsContact NE2-NE2 3.12Å; Q565-H568 WeakPolarHBondContact O-CA 3.41Å; Q565-H568 PolarHBondContact O-N 3.37Å; R566-H568 VanDerWaalsContact C-N 3.33Å; H568-G570 VanDerWaalsContact C-N 3.3Å; H568-G570 PolarHBondContact O-N 3.24Å
569	S	78.4	Confident	68.9	Low	66 Å²	66	103.5 Å²	103.5	46%	0.462	57%	0.569	S	S	.	*	H	α-helix	trans	-77.6	-10.1	177.2	69.7	0	0	0	0	114.5	Q565 R566 E571	Q565-S569 PolarHBondContact O-N 3.33Å; R566-S569 WeakPolarHBondContact CA-OG 3.39Å; S569-E571 PolarHBondContact O-N 2.9Å; S569-E571 PolarHBondContact OG-OE2 3Å
570	G	67.4	Low	67.9	Low	60 Å²	60	105.3 Å²	105.3	62%	0.619	57%	0.574	S	S	*	*			trans	73.2	-0.1	178.4	0	0	0	0	0	115.4	R566 H568 K572	R566-G570 PolarHBondContact O-N 2.74Å; R566-G570 VanDerWaalsContact O-N 3.17Å; H568-G570 VanDerWaalsContact C-N 3.3Å; H568-G570 PolarHBondContact O-N 3.24Å; G570-K572 PolarHBondContact O-N 3.23Å
571	E	59.9	Low	66.7	Low	129 Å²	129	109.4 Å²	109.4	60%	0.603	59%	0.593	S	S	*	*			trans	-68.6	90.3	-176.7	-67.7	178.5	136.6	0	0	112.4	S569 S573	S569-E571 PolarHBondContact O-N 2.9Å; S569-E571 PolarHBondContact OG-OE2 3Å; E571-S573 PolarHBondContact O-N 3.32Å; E571-S573 VanDerWaalsContact O-N 3.13Å
572	K	50.9	Low	65.3	Low	201 Å²	201	114.8 Å²	114.8	87%	0.874	62%	0.623	S	S	*	*			trans	-60.8	110.8	159	-77	-177.9	178.1	176	0	108.4	G570 E574	G570-K572 PolarHBondContact O-N 3.23Å; K572-E574 PolarHBondContact O-N 3.04Å; K572-E574 VanDerWaalsContact O-N 3.14Å
573	S	50.9	Low	63.8	Low	84 Å²	84	117.7 Å²	117.7	59%	0.587	64%	0.64	S	S	*	*			trans	-72.3	106.1	174.3	55.1	0	0	0	0	110.4	E571 S575	E571-S573 PolarHBondContact O-N 3.32Å; E571-S573 VanDerWaalsContact O-N 3.13Å; S573-S575 PolarHBondContact O-N 2.99Å
574	E	40.4	Very low	62.1	Low	182 Å²	182	113.6 Å²	113.6	85%	0.85	64%	0.637	S	S	*	*			trans	-59.1	125.7	160.1	-67.8	-170.4	138.1	0	0	109	K572 I576	K572-E574 PolarHBondContact O-N 3.04Å; K572-E574 VanDerWaalsContact O-N 3.14Å; E574-I576 PolarHBondContact O-N 3.35Å; E574-I576 VanDerWaalsContact O-N 3.14Å
575	S	38.8	Very low	60.2	Low	117 Å²	117	120.4 Å²	120.4	82%	0.818	68%	0.677	S	S	*	*			trans	-82	89.4	178.6	52.8	0	0	0	0	109.7	S573 G577	S573-S575 PolarHBondContact O-N 2.99Å; S575-G577 PolarHBondContact O-N 3.33Å
576	I	35.6	Very low	58.1	Low	174 Å²	174	124.4 Å²	124.4	89%	0.892	70%	0.704	S	S	*	*			trans	-64.5	103.4	162.1	-58.3	178.7	0	0	0	107.1	E574	E574-I576 PolarHBondContact O-N 3.35Å; E574-I576 VanDerWaalsContact O-N 3.14Å
577	G	41.9	Very low	55.6	Low	65 Å²	65	125.3 Å²	125.3	67%	0.67	73%	0.727	S	S	*	*			trans	-135.1	102.9	174.6	0	0	0	0	0	110.5	S575	S575-G577 PolarHBondContact O-N 3.33Å
578	V	34.3	Very low	52.9	Low	220 Å²	220	125 Å²	125	100%	1.333	73%	0.733	S	S	*	*			trans	-137.6	0	132.7	-179.1	0	0	0	0	106.2

Retrieved 578 of 578 residues in 96.8 ms (Link to these results)

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