X5D299_HUMAN Loading...

Succinate-semialdehyde dehydrogenase

Catalyzes one step in the degradation of the inhibitory neurotransmitter gamma-aminobutyric acid (GABA).

AlphaFold DB , UniProt , Accession X5D299, Species HUMAN (Homo sapiens, Human), Gene ALDH5A1, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	29.1	Very low	244 Å²	244	148.7 Å²	148.7	100%	1.202	83%	0.829	S	S	*	*				0	86.9	0	-72	177.1	-174.8	0	0	106.5
2	A	31.8	Very low	29.2	Very low	86 Å²	86	145.1 Å²	145.1	71%	0.711	83%	0.833	S	S	*	*				97.9	94.8	93.3	0	0	0	0	0	109.4
3	T	29.4	Very low	29	Very low	133 Å²	133	152.4 Å²	152.4	82%	0.816	84%	0.838	S	S	*	*				63.7	136.7	102.2	27.5	0	0	0	0	113.6
4	C	26.7	Very low	29	Very low	103 Å²	103	158.9 Å²	158.9	70%	0.696	84%	0.844	S	S	*	*			cis	-159.4	136.4	17.8	-92.3	0	0	0	0	107.7
5	I	32.8	Very low	29.1	Very low	149 Å²	149	159.7 Å²	159.7	76%	0.764	85%	0.847	S	S	*	*				39.6	117.2	100.9	-55.6	174.3	0	0	0	115.8
6	W	26.4	Very low	28.9	Very low	227 Å²	227	154.4 Å²	154.4	86%	0.86	84%	0.843	S	S	*	*				-158.1	114.4	124.5	-113.2	79.4	0	0	0	110.7	R8	W6-R8 HydrophobicContact CZ3-CB 4.45Å
7	L	29	Very low	28.8	Very low	156 Å²	156	152.7 Å²	152.7	82%	0.817	85%	0.845	S	S	*	*			trans	-92.5	139.9	161.3	-89.9	154	0	0	0	107.9
8	R	28.2	Very low	28.8	Very low	225 Å²	225	150.8 Å²	150.8	85%	0.849	84%	0.839	S	S	*	*			trans	-166.1	152.5	140.9	-109.9	172.8	-165.3	-130.7	4.1	112.8	W6	W6-R8 HydrophobicContact CZ3-CB 4.45Å
9	S	28.9	Very low	28.9	Very low	101 Å²	101	152.9 Å²	152.9	71%	0.706	84%	0.839	S	S	*	*			trans	-107.1	173.9	-152.4	-27.8	0	0	0	0	113.2
10	C	25.8	Very low	29.5	Very low	136 Å²	136	151.7 Å²	151.7	92%	0.919	84%	0.838	S	S	*	*			trans	84.6	128.2	149.1	-71.2	0	0	0	0	119.8
11	G	26.4	Very low	29.3	Very low	76 Å²	76	147.9 Å²	147.9	78%	0.784	83%	0.833	S	S	*	*			trans	160.1	65.3	152.5	0	0	0	0	0	116.3
12	A	29.6	Very low	28.9	Very low	105 Å²	105	142.8 Å²	142.8	87%	0.868	82%	0.82	S	S	*	*			trans	-65.5	134.8	162.6	0	0	0	0	0	110.3
13	R	27.2	Very low	28.7	Very low	240 Å²	240	150.1 Å²	150.1	91%	0.906	83%	0.829	S	S	*	*			trans	-133.5	107.7	161.2	-78.8	-169.1	-175.9	-158.2	1.3	110.7
14	R	28.2	Very low	28.6	Very low	244 Å²	244	152.3 Å²	152.3	92%	0.921	84%	0.835	S	S	*	*			trans	-75.8	137.8	154.1	-71	179.6	-179.9	-157.7	-0.7	107.8
15	L	30.1	Very low	28.7	Very low	170 Å²	170	158.8 Å²	158.8	89%	0.89	85%	0.845	S	S	*	*			trans	-128.1	106.5	160.7	-84.5	163.1	0	0	0	107.6
16	G	25.8	Very low	28.8	Very low	76 Å²	76	157 Å²	157	78%	0.784	84%	0.843	S	S	*	*			trans	-103.8	143.2	157.8	0	0	0	0	0	108.1
17	S	28.4	Very low	28.8	Very low	125 Å²	125	158.4 Å²	158.4	87%	0.874	85%	0.848	S	S	*	*			trans	-141.4	125.2	164.3	56.6	0	0	0	0	108.4
18	T	27.9	Very low	29	Very low	119 Å²	119	156.1 Å²	156.1	73%	0.73	85%	0.852	S	S	*	*			trans	-121.2	137.7	-176.3	36.8	0	0	0	0	111.2
19	F	31.3	Very low	28.9	Very low	191 Å²	191	149.2 Å²	149.2	84%	0.838	85%	0.851	S	S	*	*			trans	73.2	157.3	149.7	-69	-58.2	0	0	0	120.1
20	P	40	Very low	28.8	Very low	127 Å²	127	148 Å²	148	83%	0.825	85%	0.854	S	S	*	*			cis	-121.7	169.4	18.4	33.7	-13.5	0	0	0	113.6
21	G	26.5	Very low	29	Very low	72 Å²	72	149.7 Å²	149.7	74%	0.742	85%	0.853	S	S	*	*			cis	113.2	86.7	27.4	0	0	0	0	0	109.4
22	C	25.5	Very low	29.3	Very low	137 Å²	137	151.9 Å²	151.9	93%	0.926	85%	0.851	S	S	*	*			trans	-145.2	122.7	162.8	-150.6	0	0	0	0	110.6
23	R	27.5	Very low	29.3	Very low	240 Å²	240	152.6 Å²	152.6	91%	0.906	85%	0.847	S	S	*	*			trans	-81.9	134.5	-177	-67.5	175.5	178.7	-165.5	-0.9	110.4
24	L	27.7	Very low	29.4	Very low	179 Å²	179	145.8 Å²	145.8	94%	0.937	84%	0.842	S	S	*	*			trans	-154.2	124.7	147.4	-87.4	172.8	0	0	0	109.3
25	R	28.5	Very low	29.6	Very low	240 Å²	240	139.5 Å²	139.5	91%	0.906	84%	0.835	S	S	*	*			trans	-129.2	164.1	164	-96.5	-167.6	-176	-163.1	2.8	106
26	P	35.3	Very low	29.7	Very low	112 Å²	112	134.1 Å²	134.1	73%	0.727	82%	0.821	S	S	*	*			cis	-130.9	160.3	-30.6	35.5	-20.1	0	0	0	111.3
27	R	26.4	Very low	29.8	Very low	255 Å²	255	136.5 Å²	136.5	96%	0.962	82%	0.822	S	S	*	*			trans	-155.5	145.6	148.6	-114.4	175.6	-170.7	-165.4	2.3	111.8
28	A	32.7	Very low	29.9	Very low	109 Å²	109	134.9 Å²	134.9	90%	0.901	82%	0.816	S	S	*	*			trans	-61.8	150.3	-165.4	0	0	0	0	0	114.9
29	G	28	Very low	30	Very low	79 Å²	79	135.6 Å²	135.6	81%	0.814	82%	0.823	S	S	*	*			trans	161.2	60.8	173.1	0	0	0	0	0	111.8
30	G	26.8	Very low	29.9	Very low	75 Å²	75	129 Å²	129	77%	0.773	81%	0.81	S	S	*	*			trans	-78	126.8	178.1	0	0	0	0	0	111.8
31	L	29.2	Very low	29.6	Very low	173 Å²	173	129.5 Å²	129.5	91%	0.906	81%	0.813	S	S	*	*			trans	-130.8	84.5	157.8	-88	162.3	0	0	0	107.5
32	V	32.7	Very low	29.9	Very low	122 Å²	122	130 Å²	130	74%	0.739	81%	0.81	S	S	*	*			trans	-74.9	130.4	161.8	178	0	0	0	0	106.3	A34	V32-A34 PolarHBondContact O-N 3.44Å; V32-A34 VanDerWaalsContact O-N 3.08Å
33	P	29.9	Very low	30.4	Very low	120 Å²	120	131.5 Å²	131.5	78%	0.779	80%	0.803	S	S	*	*			trans	-66.1	114.5	167.9	25.9	-26.9	0	0	0	106.8	S35	P33-S35 PolarHBondContact O-N 3.34Å
34	A	28.4	Very low	30.9	Very low	97 Å²	97	125.1 Å²	125.1	80%	0.802	79%	0.786	S	S	*	*			trans	-55.8	105.9	-178	0	0	0	0	0	109.9	V32 G36	V32-A34 PolarHBondContact O-N 3.44Å; V32-A34 VanDerWaalsContact O-N 3.08Å; A34-G36 PolarHBondContact O-N 3.22Å
35	S	34.1	Very low	31.3	Very low	112 Å²	112	126.5 Å²	126.5	78%	0.783	78%	0.779	S	S	*	*			trans	-62	102.4	157.1	51.4	0	0	0	0	106.7	P33	P33-S35 PolarHBondContact O-N 3.34Å
36	G	30.4	Very low	31.7	Very low	56 Å²	56	121.3 Å²	121.3	58%	0.577	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-55.5	151.5	170.3	0	0	0	0	0	110.4	A34 A38	A34-G36 PolarHBondContact O-N 3.22Å; G36-A38 PolarHBondContact O-N 3.42Å
37	P	29.1	Very low	32.3	Very low	127 Å²	127	119 Å²	119	83%	0.825	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-59.4	139.8	179.6	26	-31.7	0	0	0	109.4
38	A	30.6	Very low	33.2	Very low	90 Å²	90	108.2 Å²	108.2	74%	0.744	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-49.9	135.5	166.9	0	0	0	0	0	108.8	G36 G40	G36-A38 PolarHBondContact O-N 3.42Å; A38-G40 PolarHBondContact O-N 2.8Å; A38-G40 VanDerWaalsContact O-N 3.11Å
39	P	29.9	Very low	34	Very low	134 Å²	134	106.3 Å²	106.3	87%	0.87	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-61.2	121.5	178.7	24.1	-30.1	0	0	0	108.6
40	G	28.1	Very low	35.4	Very low	54 Å²	54	108.9 Å²	108.9	56%	0.557	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-67.7	172.8	176.3	0	0	0	0	0	112.5	A38 A42	A38-G40 PolarHBondContact O-N 2.8Å; A38-G40 VanDerWaalsContact O-N 3.11Å; G40-A42 PolarHBondContact O-N 2.86Å
41	P	34.8	Very low	37	Very low	137 Å²	137	106.3 Å²	106.3	89%	0.89	67%	0.665	S	S	*	*	S	Bend	trans	-67.5	17.6	-170.4	-16.3	30.3	0	0	0	116.3
42	A	32.7	Very low	38	Very low	82 Å²	82	101.4 Å²	101.4	68%	0.678	65%	0.649	S	S	*	*			trans	-107.7	58.6	-168.2	0	0	0	0	0	112.9	G40	G40-A42 PolarHBondContact O-N 2.86Å
43	Q	35.9	Very low	39.2	Very low	169 Å²	169	99.1 Å²	99.1	79%	0.79	65%	0.651	S	S	*	*			trans	-134.7	35.5	159.6	-77	-168.2	-11.5	0	0	112.8	R45	Q43-R45 PolarHBondContact O-N 2.81Å
44	L	38.7	Very low	41	Very low	105 Å²	105	94.4 Å²	94.4	55%	0.55	62%	0.619	S	S	.	*			trans	-81.7	61.9	150.7	-77.2	154.9	0	0	0	108.8	C46 Y47	L44-C46 PolarHBondContact O-N 2.64Å; L44-Y47 HydrophobicContact CD2-CD2 3.85Å; L44-Y47 HydrophobicContact CD2-CE2 3.89Å
45	R	36.3	Very low	42.8	Very low	208 Å²	208	91.6 Å²	91.6	79%	0.785	59%	0.594	S	S	*	*			trans	-84.4	109.7	177.7	-82.7	-169.5	179.8	-147.3	0.1	109.9	Q43	Q43-R45 PolarHBondContact O-N 2.81Å
46	C	36.4	Very low	44.3	Very low	131 Å²	131	89.8 Å²	89.8	89%	0.885	59%	0.585	S	S	*	*			trans	48	65.3	164.4	-68.5	0	0	0	0	115.4	L44	L44-C46 PolarHBondContact O-N 2.64Å
47	Y	47	Very low	46.4	Very low	65 Å²	65	87.8 Å²	87.8	26%	0.255	56%	0.563	S	S	.	*			trans	-83.4	147	164.3	-62.6	-62.8	0	0	0	110.1	L44 G49 L87	L44-Y47 HydrophobicContact CD2-CD2 3.85Å; L44-Y47 HydrophobicContact CD2-CE2 3.89Å; Y47-G49 PolarHBondContact O-N 3.03Å; Y47-L87 WeakPolarHBondContact CD1-O 3.5Å; Y47-L87 WeakPolarHBondContact CE1-O 3.46Å
48	A	46.5	Very low	49	Very low	27 Å²	27	81.7 Å²	81.7	22%	0.223	52%	0.524	C	S	.	.			trans	-40.5	135.5	-167.7	0	0	0	0	0	113.7	R50 L51 A85	A48-R50 PolarHBondContact O-N 2.81Å; A48-L51 PolarHBondContact O-N 3.02Å; A48-A85 HydrophobicContact CB-CB 4.02Å
49	G	48.5	Very low	51.7	Low	70 Å²	70	78.6 Å²	78.6	72%	0.722	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-3.2	-178.5	0	0	0	0	0	116.2	Y47 A52	Y47-G49 PolarHBondContact O-N 3.03Å; G49-A52 WeakPolarHBondContact O-CB 3.49Å
50	R	58.4	Low	54.6	Low	133 Å²	133	75.1 Å²	75.1	50%	0.502	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.9	176.2	-58.2	-174.7	-167	-141.2	1.1	113.9	A48 A52	A48-R50 PolarHBondContact O-N 2.81Å; R50-A52 VanDerWaalsContact C-N 3.3Å
51	L	59.8	Low	57.8	Low	20 Å²	20	74.8 Å²	74.8	11%	0.105	45%	0.451	C	S	.	.	S	Bend	trans	-88.9	-0	164.4	-66.7	178.5	0	0	0	112.1	A48 G53 L54 L59 L87 A144	A48-L51 PolarHBondContact O-N 3.02Å; L51-G53 PolarHBondContact O-N 2.7Å; L51-L54 HydrophobicContact CB-CD1 4.06Å; L51-L54 HydrophobicContact CD2-CD1 3.36Å; L51-L54 HydrophobicContact CD2-CG 4.46Å; L51-L54 HydrophobicContact CG-CD1 4.23Å; L51-L54 PolarHBondContact O-N 2.52Å; L51-L59 HydrophobicContact CD1-CD2 4.04Å; L51-L87 HydrophobicContact CD1-CD2 3.75Å; L51-A144 HydrophobicContact CD2-CB 3.68Å
52	A	50.3	Low	60.7	Low	70 Å²	70	70.8 Å²	70.8	58%	0.579	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	126.1	174.7	0	0	0	0	0	109.7	G49 R50	G49-A52 WeakPolarHBondContact O-CB 3.49Å; R50-A52 VanDerWaalsContact C-N 3.3Å
53	G	57	Low	63.9	Low	75 Å²	75	67 Å²	67	77%	0.773	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-1.2	179.7	0	0	0	0	0	115.8	L51	L51-G53 PolarHBondContact O-N 2.7Å
54	L	67.4	Low	66.8	Low	21 Å²	21	59.1 Å²	59.1	11%	0.11	35%	0.354	C	S	.	.	S	Bend	trans	-62.1	146.3	164.6	-78.2	176.8	0	0	0	110.3	L51 A56 D137 R140 I141	L51-L54 HydrophobicContact CB-CD1 4.06Å; L51-L54 HydrophobicContact CD2-CD1 3.36Å; L51-L54 HydrophobicContact CD2-CG 4.46Å; L51-L54 HydrophobicContact CG-CD1 4.23Å; L51-L54 PolarHBondContact O-N 2.52Å; L54-A56 PolarHBondContact O-N 3.22Å; L54-D137 HydrophobicContact CD2-CB 3.67Å; L54-R140 HydrophobicContact CD2-CB 3.89Å; L54-I141 HydrophobicContact CD1-CG1 4.03Å
55	S	66.6	Low	69.6	Low	38 Å²	38	54.8 Å²	54.8	27%	0.266	33%	0.332	S	S	.	.			trans	-54.1	112.9	166.1	179.8	0	0	0	0	109.7	A57 L58 D137 F247	S55-A57 PolarHBondContact O-N 2.91Å; S55-L58 PolarHBondContact O-N 2.89Å; S55-D137 PolarHBondContact N-OD2 3.33Å; S55-D137 VanDerWaalsContact N-OD2 3.17Å; S55-F247 WeakPolarHBondContact OG-CE1 3.35Å
56	A	65.3	Low	72.3	Confident	73 Å²	73	46 Å²	46	60%	0.603	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.5	-174.4	0	0	0	0	0	113.1	L54	L54-A56 PolarHBondContact O-N 3.22Å
57	A	75.1	Confident	75	Confident	14 Å²	14	40.6 Å²	40.6	12%	0.116	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-29.1	177.1	0	0	0	0	0	113.4	S55 R60 E242 F247	S55-A57 PolarHBondContact O-N 2.91Å; A57-R60 WeakPolarHBondContact O-CG 3.16Å; A57-R60 PolarHBondContact O-NE 3.17Å; A57-E242 HydrophobicContact CB-CG 4.44Å; A57-E242 VanDerWaalsContact O-CG 3.27Å; A57-E242 WeakPolarHBondContact O-CG 3.48Å; A57-F247 HydrophobicContact CB-CD1 3.91Å; A57-F247 HydrophobicContact CB-CE1 3.86Å
58	L	83	Confident	77.2	Confident	0 Å²	0	46 Å²	46	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-33.3	-177.6	-67.5	177.1	0	0	0	113	S55 R60 N134 D137 I141 E242 V243 F247	S55-L58 PolarHBondContact O-N 2.89Å; L58-R60 PolarHBondContact O-N 2.98Å; L58-N134 HydrophobicContact CD1-CB 4.16Å; L58-D137 HydrophobicContact CD1-CB 3.67Å; L58-I141 HydrophobicContact CB-CD1 4.06Å; L58-E242 HydrophobicContact CD2-CB 4.41Å; L58-E242 HydrophobicContact CD2-CG 4.22Å; L58-V243 HydrophobicContact CD2-CG2 3.48Å; L58-V243 VanDerWaalsContact CD2-CG2 3.48Å; L58-F247 HydrophobicContact CD2-CE1 4.3Å; L58-F247 HydrophobicContact CD2-CZ 4.08Å; L58-F247 HydrophobicContact CG-CE1 4.3Å; L58-F247 HydrophobicContact CG-CZ 4.19Å
59	L	87.9	Confident	79.5	Confident	25 Å²	25	47.4 Å²	47.4	13%	0.131	29%	0.292	C	S	.	.	S	Bend	trans	-86.2	99.2	178.2	-171.3	66.8	0	0	0	110.1	L51 F235	L51-L59 HydrophobicContact CD1-CD2 4.04Å; L59-F235 HydrophobicContact CD1-CB 4.01Å; L59-F235 HydrophobicContact CD1-CD1 3.57Å; L59-F235 HydrophobicContact CD1-CD2 4.17Å; L59-F235 HydrophobicContact CD1-CE1 4Å; L59-F235 HydrophobicContact CD1-CG 3.66Å; L59-F235 HydrophobicContact CD1-CZ 4.48Å
60	R	90.9	Very high	81.7	Confident	61 Å²	61	47.6 Å²	47.6	23%	0.23	28%	0.276	C	S	.	.			trans	-111	148.3	-175	-67	-75.6	-167	-172.7	-3	111.3	A57 L58 W69 F235 L238 E242	A57-R60 WeakPolarHBondContact O-CG 3.16Å; A57-R60 PolarHBondContact O-NE 3.17Å; L58-R60 PolarHBondContact O-N 2.98Å; R60-W69 HydrophobicContact CB-CE3 4.25Å; R60-W69 HydrophobicContact CB-CH2 3.63Å; R60-W69 HydrophobicContact CB-CZ2 4.27Å; R60-W69 HydrophobicContact CB-CZ3 3.6Å; R60-W69 HydrophobicContact CG-CE3 4.41Å; R60-W69 HydrophobicContact CG-CH2 3.47Å; R60-W69 VanDerWaalsContact CG-CH2 3.47Å; R60-W69 HydrophobicContact CG-CZ2 3.61Å; R60-W69 HydrophobicContact CG-CZ3 3.89Å; R60-F235 VanDerWaalsContact O-CD1 3.25Å; R60-F235 WeakPolarHBondContact O-CD1 3.3Å; R60-F235 WeakPolarHBondContact O-CE1 3.21Å; R60-L238 HydrophobicContact CB-CB 3.98Å; R60-L238 HydrophobicContact CB-CD1 4.37Å; R60-L238 WeakPolarHBondContact O-CD1 3.34Å; R60-E242 IonicContact CZ-OE1 3.22Å; R60-E242 IonicContact CZ-OE2 3.97Å; R60-E242 VanDerWaalsContact CZ-OE2 3.25Å; R60-E242 IonicContact NE-OE1 3.7Å; R60-E242 IonicContact NE-OE2 2.88Å; R60-E242 PolarHBondContact NE-OE2 3.4Å; R60-E242 IonicContact NH2-OE1 3.82Å; R60-E242 PolarHBondContact NH2-OE1 3.13Å; R60-E242 IonicContact NH2-OE2 3.84Å; R60-E242 PolarHBondContact NH2-OE2 3.01Å
61	T	95.6	Very high	83.6	Confident	47 Å²	47	45.6 Å²	45.6	29%	0.288	28%	0.28	S	S	.	.			trans	-113.6	-21.6	179.2	48.9	0	0	0	0	113.4	M89 V90 A91 F235	T61-M89 VanDerWaalsContact CB-O 3.26Å; T61-M89 WeakPolarHBondContact CB-O 3.41Å; T61-M89 WeakPolarHBondContact CG2-O 3.4Å; T61-V90 CarbonylContact O-C 3.54Å; T61-V90 WeakPolarHBondContact O-CA 3.33Å; T61-A91 PolarHBondContact O-N 3.1Å; T61-F235 HydrophobicContact CG2-CE1 4.48Å
62	D	96.4	Very high	85.4	Confident	52 Å²	52	45.7 Å²	45.7	28%	0.278	28%	0.284	S	S	.	.	S	Bend	trans	-83.5	158	-179.3	-67	-34.9	0	0	0	111.6	W69 P71 L238	D62-W69 HydrophobicContact CB-CB 4.17Å; D62-W69 HydrophobicContact CB-CE3 4.14Å; D62-W69 WeakPolarHBondContact O-CZ3 3.32Å; D62-P71 WeakPolarHBondContact OD1-CA 3.44Å; D62-P71 WeakPolarHBondContact OD1-CB 3.33Å; D62-L238 WeakPolarHBondContact O-CD2 3.5Å
63	S	97.9	Very high	87.6	Confident	2 Å²	2	47 Å²	47	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	157.1	168.4	69.7	0	0	0	0	110.8	W69 L70 C93 V269	S63-W69 CarbonylContact O-C 3.5Å; S63-W69 WeakPolarHBondContact O-CA 3.42Å; S63-L70 PolarHBondContact N-O 3.46Å; S63-L70 PolarHBondContact O-N 3.3Å; S63-L70 PolarHBondContact OG-O 3.25Å; S63-C93 VanDerWaalsContact CB-SG 3.57Å; S63-V269 WeakPolarHBondContact CB-O 3.38Å
64	F	97.5	Very high	89.6	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	107.5	177.4	-172.4	-103.1	0	0	0	110.2	G67 R68 W69 A241 Q245 Y267 N268 V269	F64-G67 VanDerWaalsContact CZ-CA 3.48Å; F64-R68 CarbonylContact C-O 3.48Å; F64-R68 WeakPolarHBondContact CA-O 3.25Å; F64-W69 HydrophobicContact CB-CE3 4.15Å; F64-W69 HydrophobicContact CB-CH2 4.26Å; F64-W69 HydrophobicContact CB-CZ3 3.92Å; F64-W69 AromaticContact CD2-CD2 3.88Å; F64-W69 HydrophobicContact CD2-CD2 3.88Å; F64-W69 AromaticContact CD2-CE2 3.79Å; F64-W69 HydrophobicContact CD2-CE3 4.13Å; F64-W69 HydrophobicContact CD2-CG 4.43Å; F64-W69 HydrophobicContact CD2-CH2 4.22Å; F64-W69 AromaticContact CD2-CZ2 3.95Å; F64-W69 HydrophobicContact CD2-CZ2 3.95Å; F64-W69 HydrophobicContact CD2-CZ3 4.32Å; F64-W69 HydrophobicContact CE2-CZ2 4.49Å; F64-A241 HydrophobicContact CB-CB 3.88Å; F64-A241 HydrophobicContact CD1-CB 3.84Å; F64-A241 HydrophobicContact CD2-CB 4.2Å; F64-A241 HydrophobicContact CE1-CB 4.4Å; F64-A241 HydrophobicContact CG-CB 3.71Å; F64-Q245 HydrophobicContact CE2-CG 3.99Å; F64-Q245 HydrophobicContact CZ-CG 3.76Å; F64-Y267 HydrophobicContact CD1-CD1 4.31Å; F64-Y267 WeakPolarHBondContact CD1-O 3.32Å; F64-Y267 WeakPolarHBondContact CE1-O 3.06Å; F64-N268 CarbonylContact O-C 3.6Å; F64-N268 WeakPolarHBondContact O-CA 3.19Å; F64-V269 HydrophobicContact CB-CB 4.38Å; F64-V269 PolarHBondContact N-O 3.49Å; F64-V269 PolarHBondContact O-N 2.76Å
65	V	97.6	Very high	91.1	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.085	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.5	-174.5	178.9	0	0	0	0	110.3	G67 R68 L70 A101 A104 I270	V65-G67 PolarHBondContact O-N 2.73Å; V65-R68 PolarHBondContact N-O 3.17Å; V65-R68 PolarHBondContact O-N 3.16Å; V65-L70 HydrophobicContact CB-CD1 3.93Å; V65-A101 HydrophobicContact CG1-CB 3.94Å; V65-A101 HydrophobicContact CG2-CB 3.95Å; V65-A104 HydrophobicContact CG1-CB 4.18Å; V65-I270 HydrophobicContact CG2-CG2 3.94Å
66	G	93.4	Very high	92.6	Very high	23 Å²	23	47 Å²	47	24%	0.237	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	32.4	177.2	0	0	0	0	0	113.1	S264 N268	G66-S264 WeakPolarHBondContact O-CB 3.48Å; G66-N268 PolarHBondContact N-OD1 2.87Å
67	G	92.4	Very high	94.1	Very high	18 Å²	18	47.2 Å²	47.2	19%	0.186	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	17.1	-177.2	0	0	0	0	0	114.7	F64 V65	F64-G67 VanDerWaalsContact CZ-CA 3.48Å; V65-G67 PolarHBondContact O-N 2.73Å
68	R	93.1	Very high	95.2	Very high	178 Å²	178	46.8 Å²	46.8	67%	0.672	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	144	-177	-61.7	179	-177.5	-89.9	-2.3	111.5	F64 V65 L70	F64-R68 CarbonylContact C-O 3.48Å; F64-R68 WeakPolarHBondContact CA-O 3.25Å; V65-R68 PolarHBondContact N-O 3.17Å; V65-R68 PolarHBondContact O-N 3.16Å; R68-L70 HydrophobicContact CB-CD2 4.17Å; R68-L70 HydrophobicContact CB-CG 4.39Å
69	W	95.2	Very high	95.9	Very high	57 Å²	57	52.2 Å²	52.2	22%	0.216	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	118.2	168.3	-65.7	111.2	0	0	0	109.7	R60 D62 S63 F64 L238 A241 E242	R60-W69 HydrophobicContact CB-CE3 4.25Å; R60-W69 HydrophobicContact CB-CH2 3.63Å; R60-W69 HydrophobicContact CB-CZ2 4.27Å; R60-W69 HydrophobicContact CB-CZ3 3.6Å; R60-W69 HydrophobicContact CG-CE3 4.41Å; R60-W69 HydrophobicContact CG-CH2 3.47Å; R60-W69 VanDerWaalsContact CG-CH2 3.47Å; R60-W69 HydrophobicContact CG-CZ2 3.61Å; R60-W69 HydrophobicContact CG-CZ3 3.89Å; D62-W69 HydrophobicContact CB-CB 4.17Å; D62-W69 HydrophobicContact CB-CE3 4.14Å; D62-W69 WeakPolarHBondContact O-CZ3 3.32Å; S63-W69 CarbonylContact O-C 3.5Å; S63-W69 WeakPolarHBondContact O-CA 3.42Å; F64-W69 HydrophobicContact CB-CE3 4.15Å; F64-W69 HydrophobicContact CB-CH2 4.26Å; F64-W69 HydrophobicContact CB-CZ3 3.92Å; F64-W69 AromaticContact CD2-CD2 3.88Å; F64-W69 HydrophobicContact CD2-CD2 3.88Å; F64-W69 AromaticContact CD2-CE2 3.79Å; F64-W69 HydrophobicContact CD2-CE3 4.13Å; F64-W69 HydrophobicContact CD2-CG 4.43Å; F64-W69 HydrophobicContact CD2-CH2 4.22Å; F64-W69 AromaticContact CD2-CZ2 3.95Å; F64-W69 HydrophobicContact CD2-CZ2 3.95Å; F64-W69 HydrophobicContact CD2-CZ3 4.32Å; F64-W69 HydrophobicContact CE2-CZ2 4.49Å; W69-L238 HydrophobicContact CH2-CB 4.14Å; W69-L238 WeakPolarHBondContact CH2-O 3.29Å; W69-L238 HydrophobicContact CZ3-CB 4.18Å; W69-L238 HydrophobicContact CZ3-CD2 3.97Å; W69-A241 HydrophobicContact CH2-CB 3.74Å; W69-A241 HydrophobicContact CZ2-CB 4.13Å; W69-E242 HydrophobicContact CZ2-CB 4.06Å; W69-E242 VanDerWaalsContact CZ2-OE2 3.27Å; W69-E242 WeakPolarHBondContact CZ2-OE2 3.33Å; W69-E242 PolarHBondContact NE1-OE2 3.01Å; W69-E242 VanDerWaalsContact NE1-OE2 3.17Å
70	L	94.7	Very high	96.3	Very high	75 Å²	75	51.3 Å²	51.3	39%	0.393	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.8	-176.8	-58.2	-178.7	0	0	0	110.8	S63 V65 R68	S63-L70 PolarHBondContact N-O 3.46Å; S63-L70 PolarHBondContact O-N 3.3Å; S63-L70 PolarHBondContact OG-O 3.25Å; V65-L70 HydrophobicContact CB-CD1 3.93Å; R68-L70 HydrophobicContact CB-CD2 4.17Å; R68-L70 HydrophobicContact CB-CG 4.39Å
71	P	97.7	Very high	96.6	Very high	91 Å²	91	48.9 Å²	48.9	59%	0.591	29%	0.287	S	S	*	.			trans	-70.4	161.1	169.5	31	-34.9	0	0	0	110.6	D62	D62-P71 WeakPolarHBondContact OD1-CA 3.44Å; D62-P71 WeakPolarHBondContact OD1-CB 3.33Å
72	A	97.4	Very high	96.6	Very high	21 Å²	21	46.9 Å²	46.9	17%	0.174	28%	0.275	C	S	.	.			trans	-106.7	169.2	169.6	0	0	0	0	0	110.9	A74 A91	A72-A74 PolarHBondContact O-N 2.93Å; A72-A91 HydrophobicContact CB-CB 3.89Å
73	A	97.4	Very high	96.5	Very high	97 Å²	97	46.1 Å²	46.1	80%	0.802	27%	0.274	S	S	*	.	S	Bend	trans	-65.9	-25	177.9	0	0	0	0	0	113.4
74	A	98.3	Very high	96.2	Very high	49 Å²	49	48.1 Å²	48.1	41%	0.405	29%	0.294	S	S	.	.	S	Bend	trans	-127.5	164.6	175.9	0	0	0	0	0	109.9	A72 D92	A72-A74 PolarHBondContact O-N 2.93Å; A74-D92 HydrophobicContact CB-CB 4.14Å; A74-D92 WeakPolarHBondContact O-CB 3.2Å; A74-D92 PolarHBondContact O-N 3.18Å
75	T	98.6	Very high	96	Very high	72 Å²	72	49.4 Å²	49.4	44%	0.442	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.7	174.7	54.5	0	0	0	0	110.2	M89 V90	T75-M89 WeakPolarHBondContact OG1-CE 3.13Å; T75-V90 CarbonylContact C-O 3.46Å; T75-V90 WeakPolarHBondContact CA-O 3.43Å; T75-V90 VanDerWaalsContact CB-O 3.25Å; T75-V90 WeakPolarHBondContact CB-O 3.34Å
76	F	98.6	Very high	95.8	Very high	14 Å²	14	51.4 Å²	51.4	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.7	172.9	67.8	-88.8	0	0	0	111.1	V78 M89 V90 A91 D92 E231 P234 P271	F76-V78 HydrophobicContact CD2-CG2 4.21Å; F76-V78 HydrophobicContact CE2-CG2 3.75Å; F76-M89 WeakPolarHBondContact O-CA 3.45Å; F76-V90 HydrophobicContact CD1-CB 4.49Å; F76-V90 HydrophobicContact CE1-CB 3.98Å; F76-V90 HydrophobicContact CE1-CG1 3.95Å; F76-V90 HydrophobicContact CE2-CB 4.24Å; F76-V90 HydrophobicContact CZ-CB 3.84Å; F76-V90 HydrophobicContact CZ-CG1 3.88Å; F76-V90 PolarHBondContact N-O 2.93Å; F76-V90 PolarHBondContact O-N 3.27Å; F76-A91 WeakPolarHBondContact CE1-O 3.5Å; F76-D92 HydrophobicContact CD1-CB 3.87Å; F76-E231 HydrophobicContact CE2-CB 4.07Å; F76-E231 VanDerWaalsContact CE2-O 3.29Å; F76-E231 WeakPolarHBondContact CE2-O 3.42Å; F76-E231 HydrophobicContact CZ-CB 4.38Å; F76-P234 HydrophobicContact CE2-CG 4.21Å; F76-P234 HydrophobicContact CZ-CB 4.4Å; F76-P234 HydrophobicContact CZ-CG 4.09Å; F76-P271 HydrophobicContact CE1-CB 4.12Å; F76-P271 HydrophobicContact CZ-CB 4.19Å
77	P	97.9	Very high	95.8	Very high	78 Å²	78	50.5 Å²	50.5	51%	0.506	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	140.3	178.9	31	-34	0	0	0	110.8	M89	P77-M89 HydrophobicContact CB-SD 3.78Å
78	V	98	Very high	95.8	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.2	164.9	-173.4	0	0	0	0	108	F76 L87 G88 V90 P234 F235	F76-V78 HydrophobicContact CD2-CG2 4.21Å; F76-V78 HydrophobicContact CE2-CG2 3.75Å; V78-L87 HydrophobicContact CG1-CD1 4.19Å; V78-L87 PolarHBondContact O-N 3.08Å; V78-G88 PolarHBondContact N-O 3.43Å; V78-V90 HydrophobicContact CG2-CB 4.41Å; V78-V90 HydrophobicContact CG2-CG2 3.72Å; V78-P234 HydrophobicContact CG2-CG 3.62Å; V78-F235 HydrophobicContact CB-CE2 3.58Å; V78-F235 HydrophobicContact CB-CZ 3.93Å; V78-F235 HydrophobicContact CG1-CD2 4.14Å; V78-F235 HydrophobicContact CG1-CE2 3.55Å; V78-F235 HydrophobicContact CG1-CZ 4.39Å; V78-F235 HydrophobicContact CG2-CE2 4Å; V78-F235 HydrophobicContact CG2-CZ 4.08Å
79	Q	96.6	Very high	96	Very high	114 Å²	114	45.4 Å²	45.4	53%	0.533	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.9	-176.3	-66.2	176.5	-7	0	0	110.4	P81 A85	Q79-P81 WeakPolarHBondContact O-CD 3.25Å; Q79-A85 CarbonylContact C-O 3.44Å; Q79-A85 VanDerWaalsContact CA-O 3.28Å; Q79-A85 WeakPolarHBondContact CA-O 3.37Å
80	D	96.8	Very high	96.2	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	28%	0.284	C	S	.	.			trans	-67.3	119.3	169.3	171.6	-19.7	0	0	0	108.8	A82 S83 G84 A85 L87 A144	D80-A82 PolarHBondContact O-N 2.93Å; D80-A82 WeakPolarHBondContact OD1-CA 3.47Å; D80-A82 VanDerWaalsContact OD1-CB 3.27Å; D80-A82 WeakPolarHBondContact OD1-CB 3.42Å; D80-A82 PolarHBondContact OD1-N 2.9Å; D80-S83 VanDerWaalsContact CB-OG 3.3Å; D80-S83 WeakPolarHBondContact CB-OG 3.12Å; D80-S83 PolarHBondContact O-N 3.3Å; D80-S83 PolarHBondContact OD1-N 3.2Å; D80-S83 VanDerWaalsContact OD1-N 3.07Å; D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-OG 3.46Å; D80-G84 VanDerWaalsContact O-CA 3.26Å; D80-G84 WeakPolarHBondContact O-CA 3.43Å; D80-G84 PolarHBondContact O-N 3.03Å; D80-A85 PolarHBondContact N-O 3.45Å; D80-L87 HydrophobicContact CB-CD1 4.46Å; D80-L87 HydrophobicContact CB-CD2 3.91Å; D80-L87 HydrophobicContact CB-CG 4.26Å; D80-A144 WeakPolarHBondContact CA-O 3.26Å
81	P	97.2	Very high	96.4	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.058	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16	-175.4	28.6	-35	0	0	0	113.6	Q79 A144 E145 P395 N431	Q79-P81 WeakPolarHBondContact O-CD 3.25Å; P81-A144 VanDerWaalsContact CD-O 3.29Å; P81-A144 WeakPolarHBondContact CD-O 3.27Å; P81-E145 WeakPolarHBondContact CD-O 3.33Å; P81-P395 HydrophobicContact CB-CG 4.11Å; P81-P395 HydrophobicContact CG-CG 4.12Å; P81-N431 PolarHBondContact O-ND2 3.04Å
82	A	95.8	Very high	96.4	Very high	5 Å²	5	35.7 Å²	35.7	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-46.5	176	0	0	0	0	0	111.5	D80 N385 P395 K430 F432	D80-A82 PolarHBondContact O-N 2.93Å; D80-A82 WeakPolarHBondContact OD1-CA 3.47Å; D80-A82 VanDerWaalsContact OD1-CB 3.27Å; D80-A82 WeakPolarHBondContact OD1-CB 3.42Å; D80-A82 PolarHBondContact OD1-N 2.9Å; A82-N385 WeakPolarHBondContact CB-ND2 3.48Å; A82-P395 HydrophobicContact CB-CG 3.8Å; A82-K430 WeakPolarHBondContact O-CD 3.47Å; A82-F432 HydrophobicContact CB-CE2 4.14Å; A82-F432 HydrophobicContact CB-CZ 3.69Å
83	S	94.2	Very high	96.5	Very high	37 Å²	37	34.7 Å²	34.7	26%	0.259	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-24.4	-173.2	70.9	0	0	0	0	113.9	D80 A85 K430	D80-S83 VanDerWaalsContact CB-OG 3.3Å; D80-S83 WeakPolarHBondContact CB-OG 3.12Å; D80-S83 PolarHBondContact O-N 3.3Å; D80-S83 PolarHBondContact OD1-N 3.2Å; D80-S83 VanDerWaalsContact OD1-N 3.07Å; D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-OG 3.46Å; S83-A85 VanDerWaalsContact OG-CB 3.27Å; S83-A85 WeakPolarHBondContact OG-CB 3.41Å; S83-A85 PolarHBondContact OG-N 3.38Å; S83-K430 PolarHBondContact O-NZ 3.04Å
84	G	92.7	Very high	96.6	Very high	43 Å²	43	30.9 Å²	30.9	44%	0.443	20%	0.204	S	C	.	.			trans	74.6	4.6	-168.6	0	0	0	0	0	113.5	D80	D80-G84 VanDerWaalsContact O-CA 3.26Å; D80-G84 WeakPolarHBondContact O-CA 3.43Å; D80-G84 PolarHBondContact O-N 3.03Å
85	A	91.8	Very high	96.6	Very high	31 Å²	31	30.7 Å²	30.7	26%	0.256	20%	0.198	S	C	.	.			trans	-69.2	141.9	179.6	0	0	0	0	0	110.9	A48 Q79 D80 S83 L87	A48-A85 HydrophobicContact CB-CB 4.02Å; Q79-A85 CarbonylContact C-O 3.44Å; Q79-A85 VanDerWaalsContact CA-O 3.28Å; Q79-A85 WeakPolarHBondContact CA-O 3.37Å; D80-A85 PolarHBondContact N-O 3.45Å; S83-A85 VanDerWaalsContact OG-CB 3.27Å; S83-A85 WeakPolarHBondContact OG-CB 3.41Å; S83-A85 PolarHBondContact OG-N 3.38Å; A85-L87 PolarHBondContact O-N 3.27Å
86	A	93.9	Very high	96.6	Very high	56 Å²	56	36 Å²	36	46%	0.463	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.3	173.6	0	0	0	0	0	110.6
87	L	93.4	Very high	96.6	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-35.2	176.8	-61.4	-176	0	0	0	112.4	Y47 L51 V78 D80 A85 A144 E145 F235	Y47-L87 WeakPolarHBondContact CD1-O 3.5Å; Y47-L87 WeakPolarHBondContact CE1-O 3.46Å; L51-L87 HydrophobicContact CD1-CD2 3.75Å; V78-L87 HydrophobicContact CG1-CD1 4.19Å; V78-L87 PolarHBondContact O-N 3.08Å; D80-L87 HydrophobicContact CB-CD1 4.46Å; D80-L87 HydrophobicContact CB-CD2 3.91Å; D80-L87 HydrophobicContact CB-CG 4.26Å; A85-L87 PolarHBondContact O-N 3.27Å; L87-A144 HydrophobicContact CD1-CB 4.17Å; L87-A144 WeakPolarHBondContact CD1-O 3.42Å; L87-A144 HydrophobicContact CD2-CB 4.38Å; L87-E145 HydrophobicContact CD1-CB 4.16Å; L87-F235 HydrophobicContact CB-CE2 3.67Å; L87-F235 HydrophobicContact CB-CZ 4.21Å; L87-F235 HydrophobicContact CD1-CE2 4.21Å
88	G	93.3	Very high	96.6	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	160.4	-175.9	0	0	0	0	0	113.4	V78	V78-G88 PolarHBondContact N-O 3.43Å
89	M	97.4	Very high	96.7	Very high	87 Å²	87	39.4 Å²	39.4	43%	0.429	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.7	168.1	-65	-63.5	-74.4	0	0	108.3	T61 T75 F76 P77	T61-M89 VanDerWaalsContact CB-O 3.26Å; T61-M89 WeakPolarHBondContact CB-O 3.41Å; T61-M89 WeakPolarHBondContact CG2-O 3.4Å; T75-M89 WeakPolarHBondContact OG1-CE 3.13Å; F76-M89 WeakPolarHBondContact O-CA 3.45Å; P77-M89 HydrophobicContact CB-SD 3.78Å
90	V	98.4	Very high	96.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144.4	-175.7	179.5	0	0	0	0	110	T61 T75 F76 V78 D92 P234 F235 L238 P271	T61-V90 CarbonylContact O-C 3.54Å; T61-V90 WeakPolarHBondContact O-CA 3.33Å; T75-V90 CarbonylContact C-O 3.46Å; T75-V90 WeakPolarHBondContact CA-O 3.43Å; T75-V90 VanDerWaalsContact CB-O 3.25Å; T75-V90 WeakPolarHBondContact CB-O 3.34Å; F76-V90 HydrophobicContact CD1-CB 4.49Å; F76-V90 HydrophobicContact CE1-CB 3.98Å; F76-V90 HydrophobicContact CE1-CG1 3.95Å; F76-V90 HydrophobicContact CE2-CB 4.24Å; F76-V90 HydrophobicContact CZ-CB 3.84Å; F76-V90 HydrophobicContact CZ-CG1 3.88Å; F76-V90 PolarHBondContact N-O 2.93Å; F76-V90 PolarHBondContact O-N 3.27Å; V78-V90 HydrophobicContact CG2-CB 4.41Å; V78-V90 HydrophobicContact CG2-CG2 3.72Å; V90-D92 PolarHBondContact O-N 3.34Å; V90-P234 HydrophobicContact CB-CG 4.37Å; V90-P234 HydrophobicContact CG1-CB 4.25Å; V90-P234 HydrophobicContact CG1-CG 4.2Å; V90-P234 HydrophobicContact CG2-CG 3.9Å; V90-F235 HydrophobicContact CG2-CD1 4.19Å; V90-F235 HydrophobicContact CG2-CE1 3.41Å; V90-F235 VanDerWaalsContact CG2-CE1 3.41Å; V90-F235 HydrophobicContact CG2-CZ 3.65Å; V90-L238 HydrophobicContact CG1-CD1 4.25Å; V90-P271 HydrophobicContact CG1-CB 3.53Å; V90-P271 HydrophobicContact CG1-CG 3.82Å
91	A	98.7	Very high	96.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	127.4	174.6	0	0	0	0	0	111.1	T61 A72 F76 C93 P271	T61-A91 PolarHBondContact O-N 3.1Å; A72-A91 HydrophobicContact CB-CB 3.89Å; F76-A91 WeakPolarHBondContact CE1-O 3.5Å; A91-C93 PolarHBondContact O-N 2.93Å; A91-P271 CarbonylContact O-C 3.6Å
92	D	98.8	Very high	97	Very high	18 Å²	18	35 Å²	35	10%	0.096	20%	0.198	C	C	.	.			trans	-98.5	83.2	176.2	-164	2.3	0	0	0	109.6	A74 F76 V90 C272 S273 N276	A74-D92 HydrophobicContact CB-CB 4.14Å; A74-D92 WeakPolarHBondContact O-CB 3.2Å; A74-D92 PolarHBondContact O-N 3.18Å; F76-D92 HydrophobicContact CD1-CB 3.87Å; V90-D92 PolarHBondContact O-N 3.34Å; D92-C272 VanDerWaalsContact OD1-CA 3.31Å; D92-C272 WeakPolarHBondContact OD1-CA 3.06Å; D92-C272 WeakPolarHBondContact OD1-CB 3.29Å; D92-S273 PolarHBondContact OD1-N 2.85Å; D92-S273 PolarHBondContact OD1-OG 3.13Å; D92-S273 WeakPolarHBondContact OD2-CB 3.31Å; D92-S273 PolarHBondContact OD2-OG 3.32Å; D92-N276 PolarHBondContact OD1-ND2 2.94Å; D92-N276 PolarHBondContact OD2-ND2 2.84Å
93	C	98.8	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.			trans	-61.9	139.9	-179.3	-67.4	0	0	0	0	111.3	S63 A91 E97 I270 P271 C272 N276 V280	S63-C93 VanDerWaalsContact CB-SG 3.57Å; A91-C93 PolarHBondContact O-N 2.93Å; C93-E97 HydrophobicContact CB-CB 3.87Å; C93-E97 HydrophobicContact CB-CG 4.45Å; C93-I270 HydrophobicContact CB-CB 4.16Å; C93-P271 WeakPolarHBondContact CB-O 3.43Å; C93-P271 PolarHBondContact N-O 3.1Å; C93-P271 PolarHBondContact SG-O 3.05Å; C93-C272 HydrophobicContact CB-CB 4.41Å; C93-C272 WeakPolarHBondContact O-CB 3.49Å; C93-N276 PolarHBondContact O-ND2 2.87Å; C93-V280 VanDerWaalsContact O-CG2 3.3Å; C93-V280 WeakPolarHBondContact O-CG2 3.34Å
94	G	98.8	Very high	97.3	Very high	17 Å²	17	39.6 Å²	39.6	18%	0.175	21%	0.214	C	C	.	.			trans	-108.2	-166.4	170.3	0	0	0	0	0	112.2	R96 E97 A98	G94-R96 VanDerWaalsContact C-N 3.25Å; G94-R96 PolarHBondContact O-N 2.93Å; G94-E97 WeakPolarHBondContact CA-OE2 3.34Å; G94-E97 PolarHBondContact N-OE2 2.95Å; G94-E97 PolarHBondContact O-N 3.42Å; G94-A98 WeakPolarHBondContact O-CB 3.36Å; G94-A98 PolarHBondContact O-N 3.48Å
95	V	98.8	Very high	97.6	Very high	44 Å²	44	37.5 Å²	37.5	27%	0.267	19%	0.192	S	C	.	.	H	α-helix	trans	-59.4	-33.7	-179.6	176.3	0	0	0	0	112.7	R99 E279 A283	V95-R99 HydrophobicContact CG1-CG 4.48Å; V95-R99 WeakPolarHBondContact O-CG 3.34Å; V95-R99 PolarHBondContact O-N 2.89Å; V95-E279 HydrophobicContact CG2-CB 3.82Å; V95-A283 HydrophobicContact CG1-CB 4.01Å; V95-A283 HydrophobicContact CG2-CB 4.41Å
96	R	98.7	Very high	97.9	Very high	184 Å²	184	40.7 Å²	40.7	69%	0.694	20%	0.198	S	C	*	.	H	α-helix	trans	-66.2	-49.3	-179.9	-80.8	-170.8	-59.2	174.9	1.2	111.4	G94 A98 R99 A100	G94-R96 VanDerWaalsContact C-N 3.25Å; G94-R96 PolarHBondContact O-N 2.93Å; R96-A98 VanDerWaalsContact C-N 3.32Å; R96-R99 PolarHBondContact O-N 3.48Å; R96-A100 WeakPolarHBondContact O-CB 3.35Å; R96-A100 PolarHBondContact O-N 3.03Å
97	E	98.8	Very high	98.2	Very high	43 Å²	43	43.6 Å²	43.6	20%	0.201	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-41.4	178.9	-64.8	72.5	-158.8	0	0	110.1	C93 G94 R99 A100 A101	C93-E97 HydrophobicContact CB-CB 3.87Å; C93-E97 HydrophobicContact CB-CG 4.45Å; G94-E97 WeakPolarHBondContact CA-OE2 3.34Å; G94-E97 PolarHBondContact N-OE2 2.95Å; G94-E97 PolarHBondContact O-N 3.42Å; E97-R99 PolarHBondContact O-N 2.89Å; E97-A100 WeakPolarHBondContact O-CB 3.44Å; E97-A100 PolarHBondContact O-N 3.47Å; E97-A101 PolarHBondContact O-N 2.93Å
98	A	98.8	Very high	98.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-50.8	175	0	0	0	0	0	112.7	G94 R96 A100 A101 V102 I270 V280 A283 I284	G94-A98 WeakPolarHBondContact O-CB 3.36Å; G94-A98 PolarHBondContact O-N 3.48Å; R96-A98 VanDerWaalsContact C-N 3.32Å; A98-A100 VanDerWaalsContact C-N 3.3Å; A98-A100 PolarHBondContact O-N 3.23Å; A98-A101 PolarHBondContact O-N 2.94Å; A98-V102 WeakPolarHBondContact O-CG2 3.41Å; A98-V102 PolarHBondContact O-N 3.17Å; A98-I270 HydrophobicContact CB-CD1 3.94Å; A98-V280 HydrophobicContact CB-CG1 4.16Å; A98-A283 HydrophobicContact CB-CB 4.25Å; A98-I284 HydrophobicContact CB-CG2 3.86Å
99	R	98.8	Very high	98.7	Very high	123 Å²	123	44 Å²	44	46%	0.464	20%	0.204	S	C	.	.	H	α-helix	trans	-64.8	-33.5	177.1	-70.2	177.7	-179.3	146.4	2.6	112.5	V95 R96 E97 R103	V95-R99 HydrophobicContact CG1-CG 4.48Å; V95-R99 WeakPolarHBondContact O-CG 3.34Å; V95-R99 PolarHBondContact O-N 2.89Å; R96-R99 PolarHBondContact O-N 3.48Å; E97-R99 PolarHBondContact O-N 2.89Å; R99-R103 PolarHBondContact O-N 2.99Å; R99-R103 VanDerWaalsContact O-N 3.09Å; R99-R103 PolarHBondContact O-NH1 3.12Å
100	A	98.8	Very high	98.7	Very high	36 Å²	36	43 Å²	43	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-65.6	-42.4	174.5	0	0	0	0	0	111.6	R96 E97 A98 R103 A104	R96-A100 WeakPolarHBondContact O-CB 3.35Å; R96-A100 PolarHBondContact O-N 3.03Å; E97-A100 WeakPolarHBondContact O-CB 3.44Å; E97-A100 PolarHBondContact O-N 3.47Å; A98-A100 VanDerWaalsContact C-N 3.3Å; A98-A100 PolarHBondContact O-N 3.23Å; A100-R103 PolarHBondContact O-N 3.48Å; A100-A104 PolarHBondContact O-N 2.84Å
101	A	98.8	Very high	98.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-40.9	175	0	0	0	0	0	112.5	V65 E97 A98 A104 A105 V226 N268 I270	V65-A101 HydrophobicContact CG1-CB 3.94Å; V65-A101 HydrophobicContact CG2-CB 3.95Å; E97-A101 PolarHBondContact O-N 2.93Å; A98-A101 PolarHBondContact O-N 2.94Å; A101-A104 PolarHBondContact O-N 3.24Å; A101-A105 WeakPolarHBondContact O-CB 3.26Å; A101-A105 PolarHBondContact O-N 3.33Å; A101-V226 HydrophobicContact CB-CG1 3.91Å; A101-V226 HydrophobicContact CB-CG2 4.28Å; A101-N268 HydrophobicContact CB-CB 4.39Å; A101-I270 HydrophobicContact CB-CG2 3.75Å
102	V	98.9	Very high	98.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-45	175	171.3	0	0	0	0	111.6	A98 A105 Y106 V226 I284 D287 L289 V290	A98-V102 WeakPolarHBondContact O-CG2 3.41Å; A98-V102 PolarHBondContact O-N 3.17Å; V102-A105 PolarHBondContact O-N 3.14Å; V102-Y106 WeakPolarHBondContact O-CB 3.08Å; V102-Y106 PolarHBondContact O-N 3.17Å; V102-V226 HydrophobicContact CG2-CG2 4.19Å; V102-I284 HydrophobicContact CG2-CB 4.44Å; V102-I284 HydrophobicContact CG2-CG2 4.04Å; V102-D287 HydrophobicContact CG1-CB 4.2Å; V102-L289 HydrophobicContact CG1-CB 3.73Å; V102-L289 HydrophobicContact CG1-CD1 4.46Å; V102-V290 HydrophobicContact CB-CG2 4.47Å; V102-V290 HydrophobicContact CG1-CG2 3.74Å; V102-V290 HydrophobicContact CG2-CG2 3.85Å
103	R	98.9	Very high	98.6	Very high	117 Å²	117	54.2 Å²	54.2	44%	0.442	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-45.7	175.9	-74.2	-172.6	-62.3	-82.2	0.8	112.2	R99 A100 A105 Y106 E107 L289	R99-R103 PolarHBondContact O-N 2.99Å; R99-R103 VanDerWaalsContact O-N 3.09Å; R99-R103 PolarHBondContact O-NH1 3.12Å; A100-R103 PolarHBondContact O-N 3.48Å; R103-A105 VanDerWaalsContact C-N 3.29Å; R103-A105 PolarHBondContact O-N 2.7Å; R103-Y106 PolarHBondContact O-N 3.38Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.16Å; R103-L289 HydrophobicContact CG-CD1 4.1Å
104	A	98.6	Very high	98.6	Very high	22 Å²	22	61.1 Å²	61.1	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-41.3	176.4	0	0	0	0	0	111.8	V65 A100 A101 A108	V65-A104 HydrophobicContact CG1-CB 4.18Å; A100-A104 PolarHBondContact O-N 2.84Å; A101-A104 PolarHBondContact O-N 3.24Å; A104-A108 VanDerWaalsContact O-CB 3.27Å; A104-A108 WeakPolarHBondContact O-CB 3.19Å; A104-A108 PolarHBondContact O-N 2.94Å
105	A	98.8	Very high	98.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-40.6	175.8	0	0	0	0	0	112.8	A101 V102 R103 A108 F109 V197 T224 V226 G265	A101-A105 WeakPolarHBondContact O-CB 3.26Å; A101-A105 PolarHBondContact O-N 3.33Å; V102-A105 PolarHBondContact O-N 3.14Å; R103-A105 VanDerWaalsContact C-N 3.29Å; R103-A105 PolarHBondContact O-N 2.7Å; A105-A108 PolarHBondContact O-N 2.95Å; A105-F109 WeakPolarHBondContact O-CB 3.21Å; A105-F109 PolarHBondContact O-N 3.34Å; A105-V197 HydrophobicContact CB-CG1 3.69Å; A105-V197 HydrophobicContact CB-CG2 4.2Å; A105-T224 PolarHBondContact O-OG1 3.38Å; A105-V226 HydrophobicContact CB-CG2 3.73Å; A105-G265 VanDerWaalsContact CA-O 3.3Å; A105-G265 WeakPolarHBondContact CA-O 3.24Å
106	Y	98.9	Very high	98.6	Very high	97 Å²	97	63.6 Å²	63.6	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-67.2	-45.1	178.5	-174.6	-98.6	0	0	0	112.3	V102 R103 A108 F109 C110 V197 L289	V102-Y106 WeakPolarHBondContact O-CB 3.08Å; V102-Y106 PolarHBondContact O-N 3.17Å; R103-Y106 PolarHBondContact O-N 3.38Å; Y106-A108 VanDerWaalsContact C-N 3.31Å; Y106-A108 PolarHBondContact O-N 2.86Å; Y106-F109 WeakPolarHBondContact O-CB 3.27Å; Y106-F109 PolarHBondContact O-N 3.1Å; Y106-C110 PolarHBondContact O-N 3.4Å; Y106-C110 PolarHBondContact O-SG 3.3Å; Y106-V197 VanDerWaalsContact CA-CG2 3.48Å; Y106-V197 HydrophobicContact CD2-CG2 4.05Å; Y106-V197 HydrophobicContact CG-CG2 4.48Å; Y106-L289 HydrophobicContact CD1-CD1 4.29Å; Y106-L289 HydrophobicContact CD1-CD2 4.05Å; Y106-L289 HydrophobicContact CD2-CB 3.95Å; Y106-L289 HydrophobicContact CD2-CD2 3.92Å; Y106-L289 HydrophobicContact CD2-CG 4.39Å; Y106-L289 HydrophobicContact CE1-CD2 4.04Å; Y106-L289 HydrophobicContact CE2-CD2 3.92Å; Y106-L289 HydrophobicContact CG-CB 4.14Å; Y106-L289 HydrophobicContact CG-CD1 4.12Å; Y106-L289 HydrophobicContact CG-CD2 3.99Å; Y106-L289 HydrophobicContact CG-CG 4.31Å
107	E	98.7	Very high	98.6	Very high	117 Å²	117	56.3 Å²	56.3	55%	0.547	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-36.6	174.9	-70.3	173.6	-159.4	0	0	112.3	R103 R111	R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.16Å; E107-R111 PolarHBondContact O-NE 3.03Å
108	A	98.3	Very high	98.5	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-40.2	172.6	0	0	0	0	0	111.8	A104 A105 Y106 C110 R111 W112 T224 S264 V266	A104-A108 VanDerWaalsContact O-CB 3.27Å; A104-A108 WeakPolarHBondContact O-CB 3.19Å; A104-A108 PolarHBondContact O-N 2.94Å; A105-A108 PolarHBondContact O-N 2.95Å; Y106-A108 VanDerWaalsContact C-N 3.31Å; Y106-A108 PolarHBondContact O-N 2.86Å; A108-C110 VanDerWaalsContact C-N 3.33Å; A108-C110 PolarHBondContact O-N 3.15Å; A108-R111 PolarHBondContact O-N 3.11Å; A108-W112 VanDerWaalsContact O-CB 3.32Å; A108-W112 WeakPolarHBondContact O-CB 3.31Å; A108-W112 PolarHBondContact O-N 2.97Å; A108-T224 HydrophobicContact CB-CG2 4.13Å; A108-S264 WeakPolarHBondContact CB-O 3.48Å; A108-V266 HydrophobicContact CB-CG2 4.19Å
109	F	98.8	Very high	98.5	Very high	15 Å²	15	64.6 Å²	64.6	7%	0.066	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-45.6	179.6	167.2	-113.9	0	0	0	112.2	A105 Y106 R111 W112 R113 P194 V197 G222 T224	A105-F109 WeakPolarHBondContact O-CB 3.21Å; A105-F109 PolarHBondContact O-N 3.34Å; Y106-F109 WeakPolarHBondContact O-CB 3.27Å; Y106-F109 PolarHBondContact O-N 3.1Å; F109-R111 PolarHBondContact O-N 3.49Å; F109-W112 PolarHBondContact O-N 2.9Å; F109-R113 HydrophobicContact CD2-CB 4.29Å; F109-R113 HydrophobicContact CE2-CB 3.88Å; F109-R113 HydrophobicContact CZ-CB 4.37Å; F109-R113 WeakPolarHBondContact O-CB 3.46Å; F109-R113 VanDerWaalsContact O-CG 3.28Å; F109-R113 WeakPolarHBondContact O-CG 3.07Å; F109-R113 PolarHBondContact O-N 3.36Å; F109-P194 HydrophobicContact CE2-CB 4.05Å; F109-P194 HydrophobicContact CE2-CG 3.95Å; F109-P194 HydrophobicContact CZ-CG 4.44Å; F109-V197 HydrophobicContact CB-CG2 4.38Å; F109-G222 WeakPolarHBondContact CD2-O 3.46Å; F109-T224 HydrophobicContact CB-CG2 3.91Å
110	C	98.4	Very high	98.4	Very high	64 Å²	64	59.8 Å²	59.8	43%	0.432	29%	0.289	S	S	.	.	H	α-helix	trans	-56.2	-26.9	178.4	-66.7	0	0	0	0	113.5	Y106 A108	Y106-C110 PolarHBondContact O-N 3.4Å; Y106-C110 PolarHBondContact O-SG 3.3Å; A108-C110 VanDerWaalsContact C-N 3.33Å; A108-C110 PolarHBondContact O-N 3.15Å
111	R	97.8	Very high	98.4	Very high	163 Å²	163	58.8 Å²	58.8	62%	0.615	28%	0.28	S	S	*	.	H	α-helix	trans	-94.9	-42	175.4	-67.8	174.2	-73.4	-160.2	-1.2	112	E107 A108 F109 R113 E114 V115	E107-R111 PolarHBondContact O-NE 3.03Å; A108-R111 PolarHBondContact O-N 3.11Å; F109-R111 PolarHBondContact O-N 3.49Å; R111-R113 VanDerWaalsContact C-N 3.33Å; R111-R113 PolarHBondContact O-N 2.9Å; R111-E114 WeakPolarHBondContact O-CB 3.42Å; R111-E114 PolarHBondContact O-N 3.38Å; R111-E114 VanDerWaalsContact O-N 3.13Å; R111-V115 PolarHBondContact O-N 3.26Å
112	W	98.3	Very high	98.3	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-36.5	-175.8	-177.3	-118.7	0	0	0	113.1	A108 F109 E114 V115 R120 L123 L219 C223 T224 P263 V266	A108-W112 VanDerWaalsContact O-CB 3.32Å; A108-W112 WeakPolarHBondContact O-CB 3.31Å; A108-W112 PolarHBondContact O-N 2.97Å; F109-W112 PolarHBondContact O-N 2.9Å; W112-E114 PolarHBondContact O-N 2.86Å; W112-V115 HydrophobicContact CE3-CB 4.11Å; W112-V115 HydrophobicContact CE3-CG1 4.41Å; W112-V115 HydrophobicContact CE3-CG2 3.87Å; W112-V115 HydrophobicContact CZ3-CB 4.34Å; W112-V115 HydrophobicContact CZ3-CG1 4.14Å; W112-V115 HydrophobicContact CZ3-CG2 4.3Å; W112-V115 WeakPolarHBondContact O-CB 3.41Å; W112-V115 PolarHBondContact O-N 3.11Å; W112-V115 VanDerWaalsContact O-N 3.13Å; W112-R120 HydrophobicContact CD2-CG 4.43Å; W112-R120 VanDerWaalsContact CE2-CD 3.46Å; W112-R120 HydrophobicContact CE3-CG 4.5Å; W112-R120 HydrophobicContact CH2-CB 3.92Å; W112-R120 HydrophobicContact CH2-CG 3.62Å; W112-R120 HydrophobicContact CZ2-CB 3.79Å; W112-R120 HydrophobicContact CZ2-CG 3.51Å; W112-R120 HydrophobicContact CZ3-CG 4.12Å; W112-L123 HydrophobicContact CH2-CD1 3.66Å; W112-L123 HydrophobicContact CZ3-CD1 3.62Å; W112-L219 HydrophobicContact CZ2-CB 4.36Å; W112-L219 HydrophobicContact CZ2-CG 4.37Å; W112-L219 PolarHBondContact NE1-O 2.91Å; W112-C223 PolarHBondContact NE1-O 3.02Å; W112-T224 HydrophobicContact CB-CG2 4.13Å; W112-T224 HydrophobicContact CG-CG2 4.32Å; W112-P263 HydrophobicContact CE3-CG 3.92Å; W112-P263 HydrophobicContact CZ3-CG 3.75Å; W112-V266 HydrophobicContact CB-CG2 3.96Å; W112-V266 HydrophobicContact CD2-CG1 4.09Å; W112-V266 HydrophobicContact CD2-CG2 3.89Å; W112-V266 HydrophobicContact CE3-CG2 4.05Å; W112-V266 HydrophobicContact CG-CG1 4.25Å; W112-V266 HydrophobicContact CG-CG2 3.85Å; W112-V266 HydrophobicContact CZ2-CG1 4.37Å
113	R	98.4	Very high	98.2	Very high	89 Å²	89	61.9 Å²	61.9	34%	0.336	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.8	175.8	69.4	179.4	-72.3	165.4	6.5	113.6	F109 R111 P194	F109-R113 HydrophobicContact CD2-CB 4.29Å; F109-R113 HydrophobicContact CE2-CB 3.88Å; F109-R113 HydrophobicContact CZ-CB 4.37Å; F109-R113 WeakPolarHBondContact O-CB 3.46Å; F109-R113 VanDerWaalsContact O-CG 3.28Å; F109-R113 WeakPolarHBondContact O-CG 3.07Å; F109-R113 PolarHBondContact O-N 3.36Å; R111-R113 VanDerWaalsContact C-N 3.33Å; R111-R113 PolarHBondContact O-N 2.9Å; R113-P194 HydrophobicContact CB-CG 4.1Å
114	E	98.3	Very high	98.1	Very high	145 Å²	145	56.3 Å²	56.3	68%	0.678	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-18	179.3	-58.7	-57.2	127.7	0	0	112.2	R111 W112 S116	R111-E114 WeakPolarHBondContact O-CB 3.42Å; R111-E114 PolarHBondContact O-N 3.38Å; R111-E114 VanDerWaalsContact O-N 3.13Å; W112-E114 PolarHBondContact O-N 2.86Å; E114-S116 PolarHBondContact O-N 2.9Å
115	V	97.7	Very high	98	Very high	42 Å²	42	58.7 Å²	58.7	26%	0.255	28%	0.284	S	S	.	.	S	Bend	trans	-64.9	127.7	173.7	178.4	0	0	0	0	108.6	R111 W112 E119 R120	R111-V115 PolarHBondContact O-N 3.26Å; W112-V115 HydrophobicContact CE3-CB 4.11Å; W112-V115 HydrophobicContact CE3-CG1 4.41Å; W112-V115 HydrophobicContact CE3-CG2 3.87Å; W112-V115 HydrophobicContact CZ3-CB 4.34Å; W112-V115 HydrophobicContact CZ3-CG1 4.14Å; W112-V115 HydrophobicContact CZ3-CG2 4.3Å; W112-V115 WeakPolarHBondContact O-CB 3.41Å; W112-V115 PolarHBondContact O-N 3.11Å; W112-V115 VanDerWaalsContact O-N 3.13Å; V115-E119 HydrophobicContact CG1-CB 3.65Å; V115-E119 HydrophobicContact CG1-CG 3.62Å; V115-R120 HydrophobicContact CB-CG 4.11Å; V115-R120 HydrophobicContact CG1-CG 3.8Å; V115-R120 PolarHBondContact O-NH1 3.01Å
116	S	98.4	Very high	97.8	Very high	70 Å²	70	62.1 Å²	62.1	49%	0.49	30%	0.299	S	S	.	.			trans	-57	147.1	-177.1	79.1	0	0	0	0	112.2	E114 K118 E119 R120	E114-S116 PolarHBondContact O-N 2.9Å; S116-K118 PolarHBondContact O-N 2.78Å; S116-K118 VanDerWaalsContact O-N 3.15Å; S116-E119 PolarHBondContact O-N 3.08Å; S116-E119 WeakPolarHBondContact OG-CB 3.41Å; S116-E119 PolarHBondContact OG-N 3.46Å; S116-R120 WeakPolarHBondContact O-CG 3.01Å; S116-R120 PolarHBondContact O-N 2.66Å
117	A	98.6	Very high	97.6	Very high	32 Å²	32	57.7 Å²	57.7	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-54	-35.3	176.6	0	0	0	0	0	113.2	S121 A171 R172	A117-S121 VanDerWaalsContact O-CB 3.23Å; A117-S121 WeakPolarHBondContact O-CB 3.29Å; A117-S121 PolarHBondContact O-N 2.9Å; A117-A171 VanDerWaalsContact CB-O 3.28Å; A117-A171 WeakPolarHBondContact CB-O 2.9Å; A117-R172 HydrophobicContact CB-CG 4.39Å
118	K	98.6	Very high	97.5	Very high	133 Å²	133	53.6 Å²	53.6	58%	0.578	26%	0.261	S	S	*	.	H	α-helix	trans	-65	-40.7	175.9	176.9	176.1	166.4	59.9	0	112	S116 S121 S122	S116-K118 PolarHBondContact O-N 2.78Å; S116-K118 VanDerWaalsContact O-N 3.15Å; K118-S121 WeakPolarHBondContact O-CB 3.46Å; K118-S122 PolarHBondContact O-N 3.17Å
119	E	97.4	Very high	97.3	Very high	84 Å²	84	56.6 Å²	56.6	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-70.5	-44.6	178.4	-176	57.6	-150.3	0	0	110.9	V115 S116 S121 S122 L123	V115-E119 HydrophobicContact CG1-CB 3.65Å; V115-E119 HydrophobicContact CG1-CG 3.62Å; S116-E119 PolarHBondContact O-N 3.08Å; S116-E119 WeakPolarHBondContact OG-CB 3.41Å; S116-E119 PolarHBondContact OG-N 3.46Å; E119-S121 VanDerWaalsContact C-N 3.3Å; E119-S121 PolarHBondContact O-N 2.63Å; E119-S122 WeakPolarHBondContact O-CB 3.37Å; E119-S122 PolarHBondContact O-N 3.2Å; E119-S122 VanDerWaalsContact O-N 3.08Å; E119-L123 HydrophobicContact CG-CD1 4.31Å; E119-L123 WeakPolarHBondContact O-CG 3.41Å; E119-L123 PolarHBondContact O-N 2.79Å
120	R	97.8	Very high	96.8	Very high	22 Å²	22	57.7 Å²	57.7	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-43.8	174.2	-58.8	-163	-55.7	-97	5.1	112.1	W112 V115 S116 L123 L124 L219 A220	W112-R120 HydrophobicContact CD2-CG 4.43Å; W112-R120 VanDerWaalsContact CE2-CD 3.46Å; W112-R120 HydrophobicContact CE3-CG 4.5Å; W112-R120 HydrophobicContact CH2-CB 3.92Å; W112-R120 HydrophobicContact CH2-CG 3.62Å; W112-R120 HydrophobicContact CZ2-CB 3.79Å; W112-R120 HydrophobicContact CZ2-CG 3.51Å; W112-R120 HydrophobicContact CZ3-CG 4.12Å; V115-R120 HydrophobicContact CB-CG 4.11Å; V115-R120 HydrophobicContact CG1-CG 3.8Å; V115-R120 PolarHBondContact O-NH1 3.01Å; S116-R120 WeakPolarHBondContact O-CG 3.01Å; S116-R120 PolarHBondContact O-N 2.66Å; R120-L123 PolarHBondContact O-N 2.86Å; R120-L124 WeakPolarHBondContact O-CG 3.4Å; R120-L124 PolarHBondContact O-N 3.16Å; R120-L219 PolarHBondContact NE-O 3.28Å; R120-A220 PolarHBondContact NE-O 3.12Å; R120-A220 PolarHBondContact NH2-O 3.46Å
121	S	98.4	Very high	96.5	Very high	16 Å²	16	54.7 Å²	54.7	11%	0.112	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-50.5	172.5	174.5	0	0	0	0	111.6	A117 K118 E119 L123 L124 R125 S168	A117-S121 VanDerWaalsContact O-CB 3.23Å; A117-S121 WeakPolarHBondContact O-CB 3.29Å; A117-S121 PolarHBondContact O-N 2.9Å; K118-S121 WeakPolarHBondContact O-CB 3.46Å; E119-S121 VanDerWaalsContact C-N 3.3Å; E119-S121 PolarHBondContact O-N 2.63Å; S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 3.06Å; S121-L124 PolarHBondContact O-N 2.94Å; S121-R125 WeakPolarHBondContact O-CB 3.42Å; S121-R125 PolarHBondContact O-N 3.01Å; S121-S168 WeakPolarHBondContact CB-O 3.5Å; S121-S168 PolarHBondContact O-OG 2.81Å; S121-S168 PolarHBondContact OG-O 3.24Å; S121-S168 PolarHBondContact OG-OG 2.86Å
122	S	96.8	Very high	96.4	Very high	49 Å²	49	49.2 Å²	49.2	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-60	-37.8	178.8	-169.7	0	0	0	0	113	K118 E119 K126	K118-S122 PolarHBondContact O-N 3.17Å; E119-S122 WeakPolarHBondContact O-CB 3.37Å; E119-S122 PolarHBondContact O-N 3.2Å; E119-S122 VanDerWaalsContact O-N 3.08Å; S122-K126 WeakPolarHBondContact O-CG 3.3Å; S122-K126 PolarHBondContact O-N 3.16Å; S122-K126 VanDerWaalsContact O-N 3.08Å
123	L	95.9	Very high	95.9	Very high	17 Å²	17	55.5 Å²	55.5	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-70.3	-43.2	178.6	-67	170.1	0	0	0	111.9	W112 E119 R120 S121 R125 K126 W127 I262	W112-L123 HydrophobicContact CH2-CD1 3.66Å; W112-L123 HydrophobicContact CZ3-CD1 3.62Å; E119-L123 HydrophobicContact CG-CD1 4.31Å; E119-L123 WeakPolarHBondContact O-CG 3.41Å; E119-L123 PolarHBondContact O-N 2.79Å; R120-L123 PolarHBondContact O-N 2.86Å; S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 3.06Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 2.76Å; L123-K126 PolarHBondContact O-N 2.8Å; L123-W127 PolarHBondContact O-N 3.06Å; L123-I262 HydrophobicContact CB-CD1 4.07Å
124	L	96.6	Very high	95.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-40.8	173.9	-75.5	169.7	0	0	0	111.9	R120 S121 K126 W127 Y128 L164 L219 A220	R120-L124 WeakPolarHBondContact O-CG 3.4Å; R120-L124 PolarHBondContact O-N 3.16Å; S121-L124 PolarHBondContact O-N 2.94Å; L124-K126 PolarHBondContact O-N 2.78Å; L124-W127 HydrophobicContact CD2-CE3 4.35Å; L124-W127 WeakPolarHBondContact O-CB 3.31Å; L124-W127 PolarHBondContact O-N 2.94Å; L124-Y128 PolarHBondContact O-N 3.44Å; L124-L164 HydrophobicContact CD2-CD2 4.24Å; L124-L219 HydrophobicContact CD1-CB 4.36Å; L124-L219 HydrophobicContact CD2-CB 3.99Å; L124-L219 HydrophobicContact CD2-CD2 4.07Å; L124-L219 HydrophobicContact CG-CB 4.5Å; L124-A220 HydrophobicContact CD1-CB 3.97Å
125	R	97.3	Very high	95.1	Very high	71 Å²	71	48.7 Å²	48.7	27%	0.268	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-43	174	177.1	79.4	-77.7	-165.8	27.1	112.2	S121 L123 W127 Y128 N129 E165	S121-R125 WeakPolarHBondContact O-CB 3.42Å; S121-R125 PolarHBondContact O-N 3.01Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 2.76Å; R125-W127 VanDerWaalsContact C-N 3.34Å; R125-Y128 WeakPolarHBondContact O-CB 3.35Å; R125-Y128 PolarHBondContact O-N 2.97Å; R125-N129 PolarHBondContact O-N 2.85Å; R125-N129 PolarHBondContact O-ND2 2.79Å; R125-E165 IonicContact CZ-OE1 2.85Å; R125-E165 IonicContact NH1-OE1 2.9Å; R125-E165 PolarHBondContact NH1-OE1 3.29Å; R125-E165 IonicContact NH2-OE1 3.25Å; R125-E165 PolarHBondContact NH2-OE1 3.38Å; R125-E165 IonicContact NH2-OE2 2.74Å
126	K	93.9	Very high	95	Very high	73 Å²	73	50 Å²	50	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-42.9	175.1	-75.9	175.2	178.4	-179.8	0	111.3	S122 L123 L124 N129 L130 Q259	S122-K126 WeakPolarHBondContact O-CG 3.3Å; S122-K126 PolarHBondContact O-N 3.16Å; S122-K126 VanDerWaalsContact O-N 3.08Å; L123-K126 PolarHBondContact O-N 2.8Å; L124-K126 PolarHBondContact O-N 2.78Å; K126-N129 PolarHBondContact O-N 3.29Å; K126-N129 VanDerWaalsContact O-N 3.11Å; K126-L130 WeakPolarHBondContact O-CG 3.47Å; K126-L130 PolarHBondContact O-N 2.95Å; K126-Q259 PolarHBondContact NZ-O 3.35Å
127	W	94.6	Very high	94.7	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-45.2	176.4	-169.1	0.2	0	0	0	111.6	L123 L124 R125 N129 L130 M131 L164 V215 L219 L240 N244 I262 Y267	L123-W127 PolarHBondContact O-N 3.06Å; L124-W127 HydrophobicContact CD2-CE3 4.35Å; L124-W127 WeakPolarHBondContact O-CB 3.31Å; L124-W127 PolarHBondContact O-N 2.94Å; R125-W127 VanDerWaalsContact C-N 3.34Å; W127-N129 VanDerWaalsContact C-N 3.32Å; W127-N129 PolarHBondContact O-N 3.29Å; W127-L130 PolarHBondContact O-N 3.28Å; W127-M131 PolarHBondContact O-N 3.37Å; W127-L164 HydrophobicContact CB-CD1 4.09Å; W127-L164 HydrophobicContact CD2-CD1 3.72Å; W127-L164 HydrophobicContact CE3-CD1 4.28Å; W127-L164 HydrophobicContact CE3-CD2 4.34Å; W127-L164 HydrophobicContact CG-CD1 3.62Å; W127-V215 HydrophobicContact CH2-CG1 4Å; W127-V215 HydrophobicContact CZ3-CG1 4.05Å; W127-L219 HydrophobicContact CE3-CD2 4.44Å; W127-L219 HydrophobicContact CZ3-CD2 3.8Å; W127-L240 HydrophobicContact CZ2-CB 4.15Å; W127-L240 VanDerWaalsContact CZ2-O 3.26Å; W127-L240 WeakPolarHBondContact CZ2-O 3.26Å; W127-L240 PolarHBondContact NE1-O 3.15Å; W127-N244 HydrophobicContact CD2-CB 3.68Å; W127-N244 VanDerWaalsContact CE2-CB 3.49Å; W127-N244 HydrophobicContact CE3-CB 4.24Å; W127-N244 HydrophobicContact CG-CB 3.92Å; W127-N244 HydrophobicContact CH2-CB 4.4Å; W127-N244 HydrophobicContact CZ2-CB 3.88Å; W127-I262 HydrophobicContact CD2-CG1 4.35Å; W127-I262 HydrophobicContact CE3-CD1 4.02Å; W127-I262 HydrophobicContact CE3-CG1 3.6Å; W127-I262 HydrophobicContact CZ3-CD1 4.42Å; W127-I262 HydrophobicContact CZ3-CG1 3.89Å; W127-Y267 HydrophobicContact CH2-CD1 4.21Å; W127-Y267 AromaticContact CH2-CD2 3.81Å; W127-Y267 HydrophobicContact CH2-CD2 3.81Å; W127-Y267 HydrophobicContact CH2-CE1 4.43Å; W127-Y267 HydrophobicContact CH2-CE2 4.06Å; W127-Y267 AromaticContact CH2-CG 3.88Å; W127-Y267 HydrophobicContact CH2-CG 3.88Å; W127-Y267 HydrophobicContact CZ2-CE1 4.49Å
128	Y	96.5	Very high	94.5	Very high	31 Å²	31	47.1 Å²	47.1	12%	0.122	23%	0.227	C	C	.	.	H	α-helix	trans	-52.1	-49.9	169.9	158.5	-85.6	0	0	0	112.1	L124 R125 L130 M131 I132 A161 F162 E165	L124-Y128 PolarHBondContact O-N 3.44Å; R125-Y128 WeakPolarHBondContact O-CB 3.35Å; R125-Y128 PolarHBondContact O-N 2.97Å; Y128-L130 PolarHBondContact O-N 2.83Å; Y128-M131 WeakPolarHBondContact O-CA 3.46Å; Y128-M131 WeakPolarHBondContact O-CB 3.42Å; Y128-M131 PolarHBondContact O-N 2.98Å; Y128-I132 HydrophobicContact CD1-CG1 4.24Å; Y128-I132 HydrophobicContact CD2-CG1 4.08Å; Y128-I132 HydrophobicContact CE1-CG1 3.75Å; Y128-I132 HydrophobicContact CE2-CD1 3.83Å; Y128-I132 HydrophobicContact CE2-CG1 3.57Å; Y128-I132 HydrophobicContact CG-CG1 4.43Å; Y128-I132 VanDerWaalsContact CZ-CG1 3.43Å; Y128-I132 PolarHBondContact O-N 2.92Å; Y128-A161 HydrophobicContact CD2-CB 3.66Å; Y128-A161 VanDerWaalsContact CD2-O 3.29Å; Y128-A161 WeakPolarHBondContact CD2-O 3.33Å; Y128-A161 HydrophobicContact CE2-CB 3.92Å; Y128-F162 AromaticContact CE2-CD1 3.95Å; Y128-F162 HydrophobicContact CE2-CD1 3.95Å; Y128-F162 HydrophobicContact CE2-CE1 4.27Å; Y128-E165 HydrophobicContact CD2-CB 3.86Å; Y128-E165 HydrophobicContact CE2-CB 4.12Å; Y128-E165 HydrophobicContact CG-CB 4.31Å
129	N	94.4	Very high	94.4	Very high	64 Å²	64	40.8 Å²	40.8	34%	0.342	20%	0.199	S	C	.	.	H	α-helix	trans	-61.3	-40.4	-173.6	-73.2	-32.6	0	0	0	110.2	R125 K126 W127 I132 Q133	R125-N129 PolarHBondContact O-N 2.85Å; R125-N129 PolarHBondContact O-ND2 2.79Å; K126-N129 PolarHBondContact O-N 3.29Å; K126-N129 VanDerWaalsContact O-N 3.11Å; W127-N129 VanDerWaalsContact C-N 3.32Å; W127-N129 PolarHBondContact O-N 3.29Å; N129-I132 PolarHBondContact O-N 2.92Å; N129-Q133 VanDerWaalsContact O-CG 3.23Å; N129-Q133 WeakPolarHBondContact O-CG 3.4Å; N129-Q133 PolarHBondContact O-N 3.1Å
130	L	89.4	Confident	94.4	Very high	39 Å²	39	41.5 Å²	41.5	20%	0.204	20%	0.198	C	C	.	.	H	α-helix	trans	-66.9	-35.5	176.6	-67.5	166.1	0	0	0	112	K126 W127 Y128 Q133 N134 V243	K126-L130 WeakPolarHBondContact O-CG 3.47Å; K126-L130 PolarHBondContact O-N 2.95Å; W127-L130 PolarHBondContact O-N 3.28Å; Y128-L130 PolarHBondContact O-N 2.83Å; L130-Q133 PolarHBondContact O-N 3.4Å; L130-N134 PolarHBondContact O-N 3.41Å; L130-N134 VanDerWaalsContact O-N 3.13Å; L130-N134 PolarHBondContact O-ND2 3.02Å; L130-V243 HydrophobicContact CB-CG1 3.48Å; L130-V243 VanDerWaalsContact CB-CG1 3.48Å; L130-V243 WeakPolarHBondContact CD1-O 2.99Å
131	M	92.1	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-44	171.7	-72.4	-174	63.2	0	0	112	W127 Y128 Q133 N134 K135 L138 S160 A161 L164 T212 L240 V243	W127-M131 PolarHBondContact O-N 3.37Å; Y128-M131 WeakPolarHBondContact O-CA 3.46Å; Y128-M131 WeakPolarHBondContact O-CB 3.42Å; Y128-M131 PolarHBondContact O-N 2.98Å; M131-Q133 VanDerWaalsContact C-N 3.35Å; M131-Q133 PolarHBondContact O-N 3.2Å; M131-N134 CarbonylContact O-C 3.55Å; M131-N134 PolarHBondContact O-N 3.12Å; M131-K135 WeakPolarHBondContact O-CA 3.4Å; M131-K135 PolarHBondContact O-N 3.02Å; M131-L138 HydrophobicContact CB-CD1 4.28Å; M131-L138 HydrophobicContact CG-CD1 4.37Å; M131-S160 WeakPolarHBondContact CE-OG 3.26Å; M131-A161 HydrophobicContact CB-CB 4.09Å; M131-A161 HydrophobicContact CE-CB 4.2Å; M131-A161 HydrophobicContact SD-CB 4.46Å; M131-L164 HydrophobicContact CG-CD1 4.44Å; M131-L164 HydrophobicContact SD-CD1 3.37Å; M131-L164 WeakPolarHBondContact SD-CD1 3.46Å; M131-L164 HydrophobicContact SD-CG 4.33Å; M131-T212 HydrophobicContact CE-CG2 4.35Å; M131-T212 HydrophobicContact SD-CG2 4.2Å; M131-L240 HydrophobicContact CE-CD2 3.63Å; M131-L240 HydrophobicContact CG-CD2 4.22Å; M131-L240 HydrophobicContact SD-CD2 3.52Å; M131-L240 VanDerWaalsContact SD-CD2 3.52Å; M131-V243 HydrophobicContact CG-CG1 3.93Å
132	I	94.5	Very high	94.3	Very high	48 Å²	48	39.8 Å²	39.8	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-41.7	177.6	-64.9	-58.2	0	0	0	111.3	Y128 N129 N134 K135 L158 A161	Y128-I132 HydrophobicContact CD1-CG1 4.24Å; Y128-I132 HydrophobicContact CD2-CG1 4.08Å; Y128-I132 HydrophobicContact CE1-CG1 3.75Å; Y128-I132 HydrophobicContact CE2-CD1 3.83Å; Y128-I132 HydrophobicContact CE2-CG1 3.57Å; Y128-I132 HydrophobicContact CG-CG1 4.43Å; Y128-I132 VanDerWaalsContact CZ-CG1 3.43Å; Y128-I132 PolarHBondContact O-N 2.92Å; N129-I132 PolarHBondContact O-N 2.92Å; I132-N134 VanDerWaalsContact C-N 3.26Å; I132-N134 PolarHBondContact O-N 2.9Å; I132-K135 WeakPolarHBondContact O-CB 3.34Å; I132-K135 VanDerWaalsContact O-CG 3.29Å; I132-K135 WeakPolarHBondContact O-CG 3.31Å; I132-K135 PolarHBondContact O-N 3.03Å; I132-L158 HydrophobicContact CD1-CD2 3.91Å; I132-A161 HydrophobicContact CD1-CB 3.68Å; I132-A161 HydrophobicContact CG1-CB 4.24Å
133	Q	88.8	Confident	94.4	Very high	137 Å²	137	37.6 Å²	37.6	64%	0.64	17%	0.174	S	C	*	.	H	α-helix	trans	-62.4	-33.4	177.8	-72.8	166.9	25.1	0	0	112.7	N129 L130 M131	N129-Q133 VanDerWaalsContact O-CG 3.23Å; N129-Q133 WeakPolarHBondContact O-CG 3.4Å; N129-Q133 PolarHBondContact O-N 3.1Å; L130-Q133 PolarHBondContact O-N 3.4Å; M131-Q133 VanDerWaalsContact C-N 3.35Å; M131-Q133 PolarHBondContact O-N 3.2Å
134	N	87.8	Confident	94.5	Very high	23 Å²	23	36.9 Å²	36.9	12%	0.123	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	15.8	-178.2	-65	-83.7	0	0	0	112.9	L58 L130 M131 I132 D136 D137 L138 F247	L58-N134 HydrophobicContact CD1-CB 4.16Å; L130-N134 PolarHBondContact O-N 3.41Å; L130-N134 VanDerWaalsContact O-N 3.13Å; L130-N134 PolarHBondContact O-ND2 3.02Å; M131-N134 CarbonylContact O-C 3.55Å; M131-N134 PolarHBondContact O-N 3.12Å; I132-N134 VanDerWaalsContact C-N 3.26Å; I132-N134 PolarHBondContact O-N 2.9Å; N134-D136 PolarHBondContact O-N 3.38Å; N134-D137 PolarHBondContact O-N 2.96Å; N134-L138 HydrophobicContact CB-CD1 4.23Å; N134-L138 HydrophobicContact CB-CG 4.27Å; N134-L138 VanDerWaalsContact O-CG 3.31Å; N134-L138 WeakPolarHBondContact O-CG 3.41Å; N134-L138 PolarHBondContact O-N 3.41Å; N134-F247 WeakPolarHBondContact OD1-CE2 3.37Å; N134-F247 WeakPolarHBondContact OD1-CZ 3.43Å
135	K	92.6	Very high	94.5	Very high	68 Å²	68	36.9 Å²	36.9	30%	0.296	17%	0.171	S	C	.	.	H	α-helix	trans	-57.4	-32.3	-166.9	66.8	178.2	175.2	49.8	0	114.1	M131 I132 A139 I157	M131-K135 WeakPolarHBondContact O-CA 3.4Å; M131-K135 PolarHBondContact O-N 3.02Å; I132-K135 WeakPolarHBondContact O-CB 3.34Å; I132-K135 VanDerWaalsContact O-CG 3.29Å; I132-K135 WeakPolarHBondContact O-CG 3.31Å; I132-K135 PolarHBondContact O-N 3.03Å; K135-A139 VanDerWaalsContact O-CB 3.3Å; K135-A139 WeakPolarHBondContact O-CB 3.49Å; K135-A139 PolarHBondContact O-N 2.91Å; K135-I157 HydrophobicContact CB-CG2 3.75Å
136	D	94.4	Very high	94.6	Very high	70 Å²	70	33.5 Å²	33.5	37%	0.374	16%	0.158	S	C	.	.	H	α-helix	trans	-76.7	-42.1	-174.7	-59.2	-50.2	0	0	0	111.2	N134 A139 R140 H154	N134-D136 PolarHBondContact O-N 3.38Å; D136-A139 PolarHBondContact O-N 2.92Å; D136-R140 VanDerWaalsContact O-CG 3.29Å; D136-R140 WeakPolarHBondContact O-CG 3.37Å; D136-R140 PolarHBondContact O-N 3.34Å; D136-H154 IonicContact OD1-CE1 3.41Å; D136-H154 PolarHBondContact OD1-CE1 3.08Å; D136-H154 IonicContact OD1-ND1 2.79Å
137	D	91.4	Very high	94.8	Very high	35 Å²	35	30.1 Å²	30.1	19%	0.187	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-40.7	173.7	-79.7	-1.2	0	0	0	111.5	L54 S55 L58 N134 A139 R140 I141	L54-D137 HydrophobicContact CD2-CB 3.67Å; S55-D137 PolarHBondContact N-OD2 3.33Å; S55-D137 VanDerWaalsContact N-OD2 3.17Å; L58-D137 HydrophobicContact CD1-CB 3.67Å; N134-D137 PolarHBondContact O-N 2.96Å; D137-A139 VanDerWaalsContact C-N 3.32Å; D137-A139 PolarHBondContact O-N 2.79Å; D137-R140 WeakPolarHBondContact O-CB 3.39Å; D137-R140 PolarHBondContact O-N 3.04Å; D137-I141 WeakPolarHBondContact O-CG1 3.31Å; D137-I141 PolarHBondContact O-N 3.34Å
138	L	94.9	Very high	95	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-39.9	175.4	-65.6	173.3	0	0	0	111.7	M131 N134 I141 I142 I157 A239 V243	M131-L138 HydrophobicContact CB-CD1 4.28Å; M131-L138 HydrophobicContact CG-CD1 4.37Å; N134-L138 HydrophobicContact CB-CD1 4.23Å; N134-L138 HydrophobicContact CB-CG 4.27Å; N134-L138 VanDerWaalsContact O-CG 3.31Å; N134-L138 WeakPolarHBondContact O-CG 3.41Å; N134-L138 PolarHBondContact O-N 3.41Å; L138-I141 PolarHBondContact O-N 2.86Å; L138-I142 WeakPolarHBondContact O-CG1 3.26Å; L138-I142 PolarHBondContact O-N 3.12Å; L138-I142 VanDerWaalsContact O-N 3.08Å; L138-I157 HydrophobicContact CB-CD1 3.5Å; L138-I157 HydrophobicContact CB-CG1 3.85Å; L138-I157 HydrophobicContact CB-CG2 4.31Å; L138-I157 HydrophobicContact CD1-CD1 4.48Å; L138-I157 HydrophobicContact CD1-CG2 4.36Å; L138-A239 HydrophobicContact CD2-CB 3.7Å; L138-V243 HydrophobicContact CD1-CG2 4.37Å; L138-V243 HydrophobicContact CD2-CG2 4.11Å
139	A	97.4	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-39.6	175.8	0	0	0	0	0	111.8	K135 D136 D137 I141 I142 T143 L150 A153 H154 I157	K135-A139 VanDerWaalsContact O-CB 3.3Å; K135-A139 WeakPolarHBondContact O-CB 3.49Å; K135-A139 PolarHBondContact O-N 2.91Å; D136-A139 PolarHBondContact O-N 2.92Å; D137-A139 VanDerWaalsContact C-N 3.32Å; D137-A139 PolarHBondContact O-N 2.79Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 3.22Å; A139-I142 PolarHBondContact O-N 3.04Å; A139-T143 PolarHBondContact O-N 3.32Å; A139-T143 PolarHBondContact O-OG1 2.74Å; A139-L150 HydrophobicContact CB-CD1 4.14Å; A139-A153 HydrophobicContact CB-CB 4Å; A139-A153 VanDerWaalsContact O-CB 3.31Å; A139-A153 WeakPolarHBondContact O-CB 3.24Å; A139-H154 WeakPolarHBondContact CB-ND1 3.37Å; A139-I157 HydrophobicContact CB-CG1 4.19Å
140	R	96.6	Very high	95.2	Very high	99 Å²	99	27.8 Å²	27.8	37%	0.374	13%	0.134	S	C	.	.	H	α-helix	trans	-61.5	-41	174.1	-71.8	170.9	175.2	-114.7	0.3	111.9	L54 D136 D137 T143 A144 L150 F387	L54-R140 HydrophobicContact CD2-CB 3.89Å; D136-R140 VanDerWaalsContact O-CG 3.29Å; D136-R140 WeakPolarHBondContact O-CG 3.37Å; D136-R140 PolarHBondContact O-N 3.34Å; D137-R140 WeakPolarHBondContact O-CB 3.39Å; D137-R140 PolarHBondContact O-N 3.04Å; R140-T143 PolarHBondContact O-N 3.39Å; R140-A144 WeakPolarHBondContact O-CB 2.99Å; R140-A144 PolarHBondContact O-N 3.5Å; R140-L150 HydrophobicContact CG-CD1 4.15Å; R140-F387 HydrophobicContact CB-CE1 4.02Å; R140-F387 HydrophobicContact CG-CE1 4.02Å; R140-F387 WeakPolarHBondContact O-CZ 3.45Å
141	I	96.7	Very high	95.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-50.6	174.2	-69.6	169.9	0	0	0	110	L54 L58 D137 L138 A139 T143 A144 E145 F235 A239	L54-I141 HydrophobicContact CD1-CG1 4.03Å; L58-I141 HydrophobicContact CB-CD1 4.06Å; D137-I141 WeakPolarHBondContact O-CG1 3.31Å; D137-I141 PolarHBondContact O-N 3.34Å; L138-I141 PolarHBondContact O-N 2.86Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 3.22Å; I141-T143 PolarHBondContact O-N 3.33Å; I141-A144 WeakPolarHBondContact O-CB 3.17Å; I141-A144 PolarHBondContact O-N 2.91Å; I141-A144 VanDerWaalsContact O-N 3.14Å; I141-E145 WeakPolarHBondContact O-CG 3.42Å; I141-E145 PolarHBondContact O-N 3.18Å; I141-E145 VanDerWaalsContact O-N 3.1Å; I141-F235 HydrophobicContact CG2-CB 3.63Å; I141-A239 HydrophobicContact CD1-CB 3.98Å
142	I	98.4	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.1	-49.8	178	-68.7	-179.4	0	0	0	111.3	L138 A139 A144 E145 S146 K148 A153 E156 I157 P207 S236	L138-I142 WeakPolarHBondContact O-CG1 3.26Å; L138-I142 PolarHBondContact O-N 3.12Å; L138-I142 VanDerWaalsContact O-N 3.08Å; A139-I142 PolarHBondContact O-N 3.04Å; I142-A144 VanDerWaalsContact C-N 3.28Å; I142-A144 PolarHBondContact O-N 3.29Å; I142-E145 PolarHBondContact O-N 2.88Å; I142-S146 VanDerWaalsContact O-CB 3.31Å; I142-S146 WeakPolarHBondContact O-CB 3.48Å; I142-S146 PolarHBondContact O-N 3.06Å; I142-S146 PolarHBondContact O-OG 3.2Å; I142-K148 HydrophobicContact CG2-CD 3.69Å; I142-K148 HydrophobicContact CG2-CG 4.02Å; I142-A153 HydrophobicContact CB-CB 3.97Å; I142-A153 HydrophobicContact CG2-CB 3.79Å; I142-E156 HydrophobicContact CD1-CB 4.28Å; I142-E156 HydrophobicContact CD1-CG 3.98Å; I142-I157 HydrophobicContact CD1-CD1 3.32Å; I142-I157 HydrophobicContact CD1-CG1 3.76Å; I142-I157 HydrophobicContact CG1-CD1 4.24Å; I142-P207 HydrophobicContact CG1-CG 4.11Å; I142-P207 HydrophobicContact CG2-CG 4.21Å; I142-S236 WeakPolarHBondContact CG1-OG 3.36Å
143	T	98.4	Very high	96.1	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-37.9	179.5	-73.2	0	0	0	0	111.8	A139 R140 I141 G147 K148 L150 A153 F387	A139-T143 PolarHBondContact O-N 3.32Å; A139-T143 PolarHBondContact O-OG1 2.74Å; R140-T143 PolarHBondContact O-N 3.39Å; I141-T143 PolarHBondContact O-N 3.33Å; T143-G147 WeakPolarHBondContact O-CA 3.29Å; T143-G147 PolarHBondContact O-N 3.39Å; T143-K148 WeakPolarHBondContact CB-O 3.09Å; T143-K148 VanDerWaalsContact CG2-O 3.24Å; T143-K148 WeakPolarHBondContact CG2-O 3.3Å; T143-K148 PolarHBondContact OG1-O 3.44Å; T143-L150 WeakPolarHBondContact OG1-CA 3.38Å; T143-A153 WeakPolarHBondContact OG1-CB 3.45Å; T143-F387 HydrophobicContact CG2-CD1 4.07Å; T143-F387 HydrophobicContact CG2-CD2 3.81Å; T143-F387 HydrophobicContact CG2-CE1 3.94Å; T143-F387 HydrophobicContact CG2-CE2 3.67Å; T143-F387 HydrophobicContact CG2-CG 4.01Å; T143-F387 HydrophobicContact CG2-CZ 3.74Å
144	A	97.6	Very high	96.6	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-43.6	179.3	0	0	0	0	0	112.9	L51 D80 P81 L87 R140 I141 I142 F387	L51-A144 HydrophobicContact CD2-CB 3.68Å; D80-A144 WeakPolarHBondContact CA-O 3.26Å; P81-A144 VanDerWaalsContact CD-O 3.29Å; P81-A144 WeakPolarHBondContact CD-O 3.27Å; L87-A144 HydrophobicContact CD1-CB 4.17Å; L87-A144 WeakPolarHBondContact CD1-O 3.42Å; L87-A144 HydrophobicContact CD2-CB 4.38Å; R140-A144 WeakPolarHBondContact O-CB 2.99Å; R140-A144 PolarHBondContact O-N 3.5Å; I141-A144 WeakPolarHBondContact O-CB 3.17Å; I141-A144 PolarHBondContact O-N 2.91Å; I141-A144 VanDerWaalsContact O-N 3.14Å; I142-A144 VanDerWaalsContact C-N 3.28Å; I142-A144 PolarHBondContact O-N 3.29Å; A144-F387 HydrophobicContact CB-CE2 4.19Å; A144-F387 HydrophobicContact CB-CZ 4.03Å
145	E	97.8	Very high	97.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-90.9	-32.7	-175.3	67.3	-177.9	-179.1	0	0	113.9	P81 L87 I141 I142 T233 F235 S236	P81-E145 WeakPolarHBondContact CD-O 3.33Å; L87-E145 HydrophobicContact CD1-CB 4.16Å; I141-E145 WeakPolarHBondContact O-CG 3.42Å; I141-E145 PolarHBondContact O-N 3.18Å; I141-E145 VanDerWaalsContact O-N 3.1Å; I142-E145 PolarHBondContact O-N 2.88Å; E145-T233 HydrophobicContact CB-CG2 4.01Å; E145-T233 VanDerWaalsContact CD-C 3.47Å; E145-T233 VanDerWaalsContact CD-CB 3.45Å; E145-T233 HydrophobicContact CG-CG2 3.64Å; E145-T233 WeakPolarHBondContact OE2-CA 3.45Å; E145-F235 HydrophobicContact CB-CD2 4.36Å; E145-F235 WeakPolarHBondContact OE2-CA 2.98Å; E145-F235 WeakPolarHBondContact OE2-CB 3.48Å; E145-F235 WeakPolarHBondContact OE2-CD2 3.25Å; E145-F235 PolarHBondContact OE2-N 3.46Å; E145-S236 WeakPolarHBondContact OE1-CB 3.35Å; E145-S236 PolarHBondContact OE1-N 3.27Å; E145-S236 PolarHBondContact OE1-OG 2.96Å
146	S	98.1	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-95.5	-18.5	-179.8	72.2	0	0	0	0	113.8	I142 K148	I142-S146 VanDerWaalsContact O-CB 3.31Å; I142-S146 WeakPolarHBondContact O-CB 3.48Å; I142-S146 PolarHBondContact O-N 3.06Å; I142-S146 PolarHBondContact O-OG 3.2Å; S146-K148 PolarHBondContact O-N 2.82Å; S146-K148 VanDerWaalsContact OG-CE 3.23Å; S146-K148 WeakPolarHBondContact OG-CE 3.48Å; S146-K148 PolarHBondContact OG-N 3.4Å
147	G	97.8	Very high	97.6	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	13%	0.126	C	C	.	.			trans	80.3	-9.5	-177.5	0	0	0	0	0	115.4	T143 P395	T143-G147 WeakPolarHBondContact O-CA 3.29Å; T143-G147 PolarHBondContact O-N 3.39Å; G147-P395 WeakPolarHBondContact O-CD 3.36Å
148	K	98.5	Very high	97.9	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.013	13%	0.133	C	C	.	.			trans	-63.3	149.6	-175	78.9	-178.3	64.5	-173.2	0	112.5	I142 T143 S146 L150 E152 A153 E156 N205 N348	I142-K148 HydrophobicContact CG2-CD 3.69Å; I142-K148 HydrophobicContact CG2-CG 4.02Å; T143-K148 WeakPolarHBondContact CB-O 3.09Å; T143-K148 VanDerWaalsContact CG2-O 3.24Å; T143-K148 WeakPolarHBondContact CG2-O 3.3Å; T143-K148 PolarHBondContact OG1-O 3.44Å; S146-K148 PolarHBondContact O-N 2.82Å; S146-K148 VanDerWaalsContact OG-CE 3.23Å; S146-K148 WeakPolarHBondContact OG-CE 3.48Å; S146-K148 PolarHBondContact OG-N 3.4Å; K148-L150 PolarHBondContact O-N 3.02Å; K148-E152 HydrophobicContact CD-CB 4.19Å; K148-E152 HydrophobicContact CG-CB 4.39Å; K148-A153 HydrophobicContact CD-CB 4.24Å; K148-A153 HydrophobicContact CG-CB 4.09Å; K148-E156 IonicContact NZ-OE2 2.68Å; K148-E156 PolarHBondContact NZ-OE2 2.79Å; K148-N205 PolarHBondContact NZ-O 3.36Å; K148-N348 WeakPolarHBondContact CB-OD1 3.29Å; K148-N348 VanDerWaalsContact CE-OD1 3.25Å; K148-N348 WeakPolarHBondContact CE-OD1 3.48Å
149	P	98.5	Very high	98.1	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.026	14%	0.139	C	C	.	.			trans	-52.6	140.7	176.8	-24.4	33	0	0	0	112.6	K151 E152 A153 T391	P149-K151 PolarHBondContact O-N 2.86Å; P149-K151 VanDerWaalsContact O-N 3.12Å; P149-E152 HydrophobicContact CB-CG 4.34Å; P149-E152 HydrophobicContact CG-CG 4.46Å; P149-E152 WeakPolarHBondContact O-CA 3.46Å; P149-E152 WeakPolarHBondContact O-CB 3.21Å; P149-E152 PolarHBondContact O-N 2.91Å; P149-A153 PolarHBondContact O-N 2.82Å; P149-T391 HydrophobicContact CG-CG2 4.27Å
150	L	98.1	Very high	98.2	Very high	43 Å²	43	28.4 Å²	28.4	23%	0.225	14%	0.139	C	C	.	.	H	α-helix	trans	-56.1	-35.4	-175.4	-172.3	64.3	0	0	0	112.8	A139 R140 T143 K148 E152 A153 H154 G386	A139-L150 HydrophobicContact CB-CD1 4.14Å; R140-L150 HydrophobicContact CG-CD1 4.15Å; T143-L150 WeakPolarHBondContact OG1-CA 3.38Å; K148-L150 PolarHBondContact O-N 3.02Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 2.83Å; L150-A153 PolarHBondContact O-N 2.84Å; L150-H154 PolarHBondContact O-CD2 3.36Å; L150-H154 PolarHBondContact O-N 2.83Å; L150-G386 WeakPolarHBondContact CB-O 3.38Å; L150-G386 PolarHBondContact N-O 2.9Å
151	K	98.2	Very high	98.2	Very high	183 Å²	183	23.7 Å²	23.7	80%	0.796	12%	0.121	S	C	*	.	H	α-helix	trans	-59.5	-40.9	174.1	-173.5	178	-179.9	-179.6	0	112.4	P149 G155	P149-K151 PolarHBondContact O-N 2.86Å; P149-K151 VanDerWaalsContact O-N 3.12Å; K151-G155 PolarHBondContact O-N 3.09Å
152	E	98.3	Very high	98.3	Very high	47 Å²	47	27.2 Å²	27.2	22%	0.22	14%	0.137	C	C	.	.	H	α-helix	trans	-72.4	-37.3	176.7	-62.1	-171.1	-174.7	0	0	111.7	K148 P149 L150 H154 G155 E156 N348	K148-E152 HydrophobicContact CD-CB 4.19Å; K148-E152 HydrophobicContact CG-CB 4.39Å; P149-E152 HydrophobicContact CB-CG 4.34Å; P149-E152 HydrophobicContact CG-CG 4.46Å; P149-E152 WeakPolarHBondContact O-CA 3.46Å; P149-E152 WeakPolarHBondContact O-CB 3.21Å; P149-E152 PolarHBondContact O-N 2.91Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 2.83Å; E152-H154 VanDerWaalsContact C-N 3.33Å; E152-H154 PolarHBondContact O-N 2.89Å; E152-G155 PolarHBondContact O-N 3.18Å; E152-G155 VanDerWaalsContact O-N 3.17Å; E152-E156 PolarHBondContact O-N 3.29Å; E152-N348 PolarHBondContact OE1-N 3.19Å; E152-N348 WeakPolarHBondContact OE2-CA 3.18Å; E152-N348 PolarHBondContact OE2-N 2.92Å
153	A	98.6	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-39.5	173.7	0	0	0	0	0	112.3	A139 I142 T143 K148 P149 L150 E156 I157	A139-A153 HydrophobicContact CB-CB 4Å; A139-A153 VanDerWaalsContact O-CB 3.31Å; A139-A153 WeakPolarHBondContact O-CB 3.24Å; I142-A153 HydrophobicContact CB-CB 3.97Å; I142-A153 HydrophobicContact CG2-CB 3.79Å; T143-A153 WeakPolarHBondContact OG1-CB 3.45Å; K148-A153 HydrophobicContact CD-CB 4.24Å; K148-A153 HydrophobicContact CG-CB 4.09Å; P149-A153 PolarHBondContact O-N 2.82Å; L150-A153 PolarHBondContact O-N 2.84Å; A153-E156 PolarHBondContact O-N 3.47Å; A153-I157 WeakPolarHBondContact O-CG1 3.09Å; A153-I157 PolarHBondContact O-N 3.5Å
154	H	98.5	Very high	98.4	Very high	56 Å²	56	27.2 Å²	27.2	26%	0.259	14%	0.137	S	C	.	.	H	α-helix	trans	-61.1	-44.5	171.1	-75.4	-63.7	0	0	0	112.3	D136 A139 L150 E152 E156 I157 L158	D136-H154 IonicContact OD1-CE1 3.41Å; D136-H154 PolarHBondContact OD1-CE1 3.08Å; D136-H154 IonicContact OD1-ND1 2.79Å; A139-H154 WeakPolarHBondContact CB-ND1 3.37Å; L150-H154 PolarHBondContact O-CD2 3.36Å; L150-H154 PolarHBondContact O-N 2.83Å; E152-H154 VanDerWaalsContact C-N 3.33Å; E152-H154 PolarHBondContact O-N 2.89Å; H154-E156 VanDerWaalsContact C-N 3.28Å; H154-E156 PolarHBondContact O-N 3.37Å; H154-I157 PolarHBondContact O-N 2.91Å; H154-L158 WeakPolarHBondContact O-CG 3.33Å; H154-L158 PolarHBondContact O-N 3.3Å; H154-L158 VanDerWaalsContact O-N 3.07Å
155	G	98.4	Very high	98.4	Very high	40 Å²	40	29.4 Å²	29.4	41%	0.412	15%	0.146	S	C	.	.	H	α-helix	trans	-57.3	-43	174.8	0	0	0	0	0	112	K151 E152 Y159	K151-G155 PolarHBondContact O-N 3.09Å; E152-G155 PolarHBondContact O-N 3.18Å; E152-G155 VanDerWaalsContact O-N 3.17Å; G155-Y159 WeakPolarHBondContact O-CB 3.41Å; G155-Y159 PolarHBondContact O-N 3.45Å
156	E	98.6	Very high	98.5	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-44.8	175.2	179.1	175.9	170	0	0	112.8	I142 K148 E152 A153 H154 L158 Y159 S160 F206 P207 S208 A209	I142-E156 HydrophobicContact CD1-CB 4.28Å; I142-E156 HydrophobicContact CD1-CG 3.98Å; K148-E156 IonicContact NZ-OE2 2.68Å; K148-E156 PolarHBondContact NZ-OE2 2.79Å; E152-E156 PolarHBondContact O-N 3.29Å; A153-E156 PolarHBondContact O-N 3.47Å; H154-E156 VanDerWaalsContact C-N 3.28Å; H154-E156 PolarHBondContact O-N 3.37Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.45Å; E156-Y159 PolarHBondContact O-N 2.85Å; E156-S160 WeakPolarHBondContact O-CB 3.46Å; E156-S160 PolarHBondContact O-N 2.9Å; E156-F206 HydrophobicContact CB-CD1 4.24Å; E156-F206 HydrophobicContact CG-CD1 3.89Å; E156-F206 WeakPolarHBondContact OE1-CA 3.49Å; E156-F206 WeakPolarHBondContact OE1-CB 3.18Å; E156-F206 WeakPolarHBondContact OE2-CA 3.32Å; E156-F206 WeakPolarHBondContact OE2-CD1 3.34Å; E156-P207 VanDerWaalsContact OE1-CD 3.28Å; E156-P207 WeakPolarHBondContact OE1-CD 3.49Å; E156-S208 PolarHBondContact OE1-N 2.98Å; E156-A209 HydrophobicContact CG-CB 3.85Å; E156-A209 PolarHBondContact OE1-N 2.86Å; E156-A209 VanDerWaalsContact OE1-N 3.08Å
157	I	98.4	Very high	98.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-39.7	-179.2	-69.9	-57.5	0	0	0	111.6	K135 L138 A139 I142 A153 H154 S160 A161	K135-I157 HydrophobicContact CB-CG2 3.75Å; L138-I157 HydrophobicContact CB-CD1 3.5Å; L138-I157 HydrophobicContact CB-CG1 3.85Å; L138-I157 HydrophobicContact CB-CG2 4.31Å; L138-I157 HydrophobicContact CD1-CD1 4.48Å; L138-I157 HydrophobicContact CD1-CG2 4.36Å; A139-I157 HydrophobicContact CB-CG1 4.19Å; I142-I157 HydrophobicContact CD1-CD1 3.32Å; I142-I157 HydrophobicContact CD1-CG1 3.76Å; I142-I157 HydrophobicContact CG1-CD1 4.24Å; A153-I157 WeakPolarHBondContact O-CG1 3.09Å; A153-I157 PolarHBondContact O-N 3.5Å; H154-I157 PolarHBondContact O-N 2.91Å; I157-S160 PolarHBondContact O-N 3.27Å; I157-A161 WeakPolarHBondContact O-CB 3.37Å; I157-A161 PolarHBondContact O-N 3.15Å
158	L	98.6	Very high	98.5	Very high	67 Å²	67	32.2 Å²	32.2	35%	0.351	16%	0.157	S	C	.	.	H	α-helix	trans	-61.6	-49.4	173	-69	176.8	0	0	0	110.9	I132 H154 E156 S160 A161 F162	I132-L158 HydrophobicContact CD1-CD2 3.91Å; H154-L158 WeakPolarHBondContact O-CG 3.33Å; H154-L158 PolarHBondContact O-N 3.3Å; H154-L158 VanDerWaalsContact O-N 3.07Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.45Å; L158-S160 VanDerWaalsContact C-N 3.28Å; L158-S160 PolarHBondContact O-N 3.37Å; L158-A161 PolarHBondContact O-N 3.27Å; L158-F162 HydrophobicContact CB-CE2 4.01Å; L158-F162 HydrophobicContact CB-CZ 4.26Å; L158-F162 HydrophobicContact CD2-CZ 4.47Å; L158-F162 WeakPolarHBondContact O-CB 3.3Å; L158-F162 VanDerWaalsContact O-CD2 3.25Å; L158-F162 WeakPolarHBondContact O-CD2 3.42Å; L158-F162 WeakPolarHBondContact O-CG 3.27Å; L158-F162 PolarHBondContact O-N 3.21Å
159	Y	98.7	Very high	98.6	Very high	38 Å²	38	36.1 Å²	36.1	15%	0.149	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-40.7	178.2	-166.5	-128.6	0	0	0	112.5	G155 E156 F162 F163 A209 S512 V513	G155-Y159 WeakPolarHBondContact O-CB 3.41Å; G155-Y159 PolarHBondContact O-N 3.45Å; E156-Y159 PolarHBondContact O-N 2.85Å; Y159-F162 PolarHBondContact O-N 3.26Å; Y159-F163 HydrophobicContact CD1-CD2 4.5Å; Y159-F163 AromaticContact CD1-CE2 3.79Å; Y159-F163 HydrophobicContact CD1-CE2 3.79Å; Y159-F163 HydrophobicContact CD2-CE2 4.34Å; Y159-F163 HydrophobicContact CE1-CD2 4.48Å; Y159-F163 AromaticContact CE1-CE2 3.4Å; Y159-F163 HydrophobicContact CE1-CE2 3.4Å; Y159-F163 VanDerWaalsContact CE1-CE2 3.4Å; Y159-F163 AromaticContact CE1-CZ 3.91Å; Y159-F163 HydrophobicContact CE1-CZ 3.91Å; Y159-F163 AromaticContact CE2-CE2 4Å; Y159-F163 HydrophobicContact CE2-CE2 4Å; Y159-F163 HydrophobicContact CE2-CZ 4.15Å; Y159-F163 HydrophobicContact CG-CE2 4.24Å; Y159-F163 AromaticContact CZ-CE2 3.5Å; Y159-F163 AromaticContact CZ-CZ 3.59Å; Y159-F163 VanDerWaalsContact O-CD2 3.24Å; Y159-F163 WeakPolarHBondContact O-CD2 3.25Å; Y159-F163 PolarHBondContact O-N 3.35Å; Y159-A209 HydrophobicContact CD1-CB 3.99Å; Y159-S512 PolarHBondContact OH-N 3.41Å; Y159-S512 PolarHBondContact OH-O 3.45Å; Y159-V513 HydrophobicContact CD2-CG1 3.72Å; Y159-V513 HydrophobicContact CE2-CG1 3.52Å
160	S	98.6	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-44.5	176.6	-170.8	0	0	0	0	112	M131 E156 I157 L158 F163 S208 T212	M131-S160 WeakPolarHBondContact CE-OG 3.26Å; E156-S160 WeakPolarHBondContact O-CB 3.46Å; E156-S160 PolarHBondContact O-N 2.9Å; I157-S160 PolarHBondContact O-N 3.27Å; L158-S160 VanDerWaalsContact C-N 3.28Å; L158-S160 PolarHBondContact O-N 3.37Å; S160-F163 PolarHBondContact O-N 3.32Å; S160-S208 WeakPolarHBondContact CB-OG 3.35Å; S160-S208 VanDerWaalsContact OG-C 3.29Å; S160-S208 PolarHBondContact OG-O 2.69Å; S160-S208 PolarHBondContact OG-OG 3.3Å; S160-T212 VanDerWaalsContact CA-OG1 3.28Å; S160-T212 WeakPolarHBondContact CA-OG1 3.23Å; S160-T212 VanDerWaalsContact O-CB 3.26Å; S160-T212 WeakPolarHBondContact O-CB 3.47Å; S160-T212 PolarHBondContact O-OG1 3.29Å; S160-T212 VanDerWaalsContact O-OG1 3.06Å; S160-T212 WeakPolarHBondContact OG-CB 3.45Å; S160-T212 WeakPolarHBondContact OG-CG2 3.46Å; S160-T212 PolarHBondContact OG-OG1 3.04Å
161	A	98.1	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-47.3	174.7	0	0	0	0	0	110.5	Y128 M131 I132 I157 L158 F163 L164 E165	Y128-A161 HydrophobicContact CD2-CB 3.66Å; Y128-A161 VanDerWaalsContact CD2-O 3.29Å; Y128-A161 WeakPolarHBondContact CD2-O 3.33Å; Y128-A161 HydrophobicContact CE2-CB 3.92Å; M131-A161 HydrophobicContact CB-CB 4.09Å; M131-A161 HydrophobicContact CE-CB 4.2Å; M131-A161 HydrophobicContact SD-CB 4.46Å; I132-A161 HydrophobicContact CD1-CB 3.68Å; I132-A161 HydrophobicContact CG1-CB 4.24Å; I157-A161 WeakPolarHBondContact O-CB 3.37Å; I157-A161 PolarHBondContact O-N 3.15Å; L158-A161 PolarHBondContact O-N 3.27Å; A161-F163 PolarHBondContact O-N 3.26Å; A161-F163 VanDerWaalsContact O-N 3.16Å; A161-L164 WeakPolarHBondContact O-CA 3.47Å; A161-L164 WeakPolarHBondContact O-CB 3.35Å; A161-L164 PolarHBondContact O-N 3.24Å; A161-E165 PolarHBondContact O-N 3.01Å; A161-E165 VanDerWaalsContact O-N 3.07Å
162	F	98.8	Very high	98.6	Very high	77 Å²	77	33.2 Å²	33.2	34%	0.338	16%	0.158	S	C	.	.	H	α-helix	trans	-58.2	-30.4	-179.3	-64.2	-29.2	0	0	0	113.3	Y128 L158 Y159 L164 E165 W166 V513	Y128-F162 AromaticContact CE2-CD1 3.95Å; Y128-F162 HydrophobicContact CE2-CD1 3.95Å; Y128-F162 HydrophobicContact CE2-CE1 4.27Å; L158-F162 HydrophobicContact CB-CE2 4.01Å; L158-F162 HydrophobicContact CB-CZ 4.26Å; L158-F162 HydrophobicContact CD2-CZ 4.47Å; L158-F162 WeakPolarHBondContact O-CB 3.3Å; L158-F162 VanDerWaalsContact O-CD2 3.25Å; L158-F162 WeakPolarHBondContact O-CD2 3.42Å; L158-F162 WeakPolarHBondContact O-CG 3.27Å; L158-F162 PolarHBondContact O-N 3.21Å; Y159-F162 PolarHBondContact O-N 3.26Å; F162-L164 PolarHBondContact O-N 2.94Å; F162-E165 WeakPolarHBondContact O-CB 3.32Å; F162-E165 PolarHBondContact O-N 3.18Å; F162-W166 VanDerWaalsContact O-CB 3.24Å; F162-W166 WeakPolarHBondContact O-CB 3.48Å; F162-W166 PolarHBondContact O-N 2.8Å; F162-V513 HydrophobicContact CB-CG1 3.77Å; F162-V513 HydrophobicContact CB-CG2 4.17Å
163	F	98.8	Very high	98.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-38.1	170.9	-81.7	-63.6	0	0	0	113.4	Y159 S160 A161 F167 R213 V513	Y159-F163 HydrophobicContact CD1-CD2 4.5Å; Y159-F163 AromaticContact CD1-CE2 3.79Å; Y159-F163 HydrophobicContact CD1-CE2 3.79Å; Y159-F163 HydrophobicContact CD2-CE2 4.34Å; Y159-F163 HydrophobicContact CE1-CD2 4.48Å; Y159-F163 AromaticContact CE1-CE2 3.4Å; Y159-F163 HydrophobicContact CE1-CE2 3.4Å; Y159-F163 VanDerWaalsContact CE1-CE2 3.4Å; Y159-F163 AromaticContact CE1-CZ 3.91Å; Y159-F163 HydrophobicContact CE1-CZ 3.91Å; Y159-F163 AromaticContact CE2-CE2 4Å; Y159-F163 HydrophobicContact CE2-CE2 4Å; Y159-F163 HydrophobicContact CE2-CZ 4.15Å; Y159-F163 HydrophobicContact CG-CE2 4.24Å; Y159-F163 AromaticContact CZ-CE2 3.5Å; Y159-F163 AromaticContact CZ-CZ 3.59Å; Y159-F163 VanDerWaalsContact O-CD2 3.24Å; Y159-F163 WeakPolarHBondContact O-CD2 3.25Å; Y159-F163 PolarHBondContact O-N 3.35Å; S160-F163 PolarHBondContact O-N 3.32Å; A161-F163 PolarHBondContact O-N 3.26Å; A161-F163 VanDerWaalsContact O-N 3.16Å; F163-F167 HydrophobicContact CD1-CD2 4.44Å; F163-F167 AromaticContact CD1-CE2 3.98Å; F163-F167 HydrophobicContact CD1-CE2 3.98Å; F163-F167 WeakPolarHBondContact O-CB 3.08Å; F163-F167 VanDerWaalsContact O-CD2 3.28Å; F163-F167 WeakPolarHBondContact O-CD2 3.4Å; F163-F167 PolarHBondContact O-N 3.5Å; F163-R213 HydrophobicContact CB-CB 4.46Å; F163-R213 HydrophobicContact CD1-CB 3.77Å; F163-R213 HydrophobicContact CD2-CB 3.63Å; F163-R213 HydrophobicContact CE1-CB 3.79Å; F163-R213 HydrophobicContact CE2-CB 3.64Å; F163-R213 HydrophobicContact CG-CB 3.7Å; F163-R213 HydrophobicContact CZ-CB 3.72Å; F163-V513 HydrophobicContact CD1-CB 3.9Å; F163-V513 HydrophobicContact CD1-CG1 3.82Å; F163-V513 HydrophobicContact CD2-CG1 3.95Å; F163-V513 HydrophobicContact CE1-CB 3.84Å; F163-V513 HydrophobicContact CE1-CG1 3.81Å; F163-V513 HydrophobicContact CE2-CG1 3.95Å; F163-V513 HydrophobicContact CG-CB 4.43Å; F163-V513 HydrophobicContact CG-CG1 3.88Å; F163-V513 HydrophobicContact CZ-CB 4.33Å; F163-V513 HydrophobicContact CZ-CG1 3.87Å
164	L	98.6	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-37.3	175	-62.9	-176.3	0	0	0	111.9	L124 W127 M131 A161 F162 S168 T212	L124-L164 HydrophobicContact CD2-CD2 4.24Å; W127-L164 HydrophobicContact CB-CD1 4.09Å; W127-L164 HydrophobicContact CD2-CD1 3.72Å; W127-L164 HydrophobicContact CE3-CD1 4.28Å; W127-L164 HydrophobicContact CE3-CD2 4.34Å; W127-L164 HydrophobicContact CG-CD1 3.62Å; M131-L164 HydrophobicContact CG-CD1 4.44Å; M131-L164 HydrophobicContact SD-CD1 3.37Å; M131-L164 WeakPolarHBondContact SD-CD1 3.46Å; M131-L164 HydrophobicContact SD-CG 4.33Å; A161-L164 WeakPolarHBondContact O-CA 3.47Å; A161-L164 WeakPolarHBondContact O-CB 3.35Å; A161-L164 PolarHBondContact O-N 3.24Å; F162-L164 PolarHBondContact O-N 2.94Å; L164-S168 WeakPolarHBondContact O-CB 3.45Å; L164-S168 PolarHBondContact O-N 3.35Å; L164-T212 HydrophobicContact CD1-CG2 4.26Å; L164-T212 HydrophobicContact CD2-CG2 4.19Å; L164-T212 HydrophobicContact CG-CG2 4.06Å
165	E	98.8	Very high	98.7	Very high	48 Å²	48	43.2 Å²	43.2	22%	0.224	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-55.8	170.9	177.5	164.9	-119.4	0	0	111.3	R125 Y128 A161 F162 F167 S168 E169	R125-E165 IonicContact CZ-OE1 2.85Å; R125-E165 IonicContact NH1-OE1 2.9Å; R125-E165 PolarHBondContact NH1-OE1 3.29Å; R125-E165 IonicContact NH2-OE1 3.25Å; R125-E165 PolarHBondContact NH2-OE1 3.38Å; R125-E165 IonicContact NH2-OE2 2.74Å; Y128-E165 HydrophobicContact CD2-CB 3.86Å; Y128-E165 HydrophobicContact CE2-CB 4.12Å; Y128-E165 HydrophobicContact CG-CB 4.31Å; A161-E165 PolarHBondContact O-N 3.01Å; A161-E165 VanDerWaalsContact O-N 3.07Å; F162-E165 WeakPolarHBondContact O-CB 3.32Å; F162-E165 PolarHBondContact O-N 3.18Å; E165-F167 PolarHBondContact O-N 3.39Å; E165-S168 VanDerWaalsContact O-CB 3.22Å; E165-S168 WeakPolarHBondContact O-CB 3.44Å; E165-S168 PolarHBondContact O-N 3.27Å; E165-S168 VanDerWaalsContact O-N 3.15Å; E165-E169 PolarHBondContact O-N 3.21Å; E165-E169 VanDerWaalsContact O-N 3.16Å
166	W	98.9	Very high	98.7	Very high	58 Å²	58	43.3 Å²	43.3	22%	0.22	20%	0.198	C	C	.	.	H	α-helix	trans	-54.9	-52.6	-178.1	178	-97.9	0	0	0	111.5	F162 S168 E169 E170 V513 E514 S530	F162-W166 VanDerWaalsContact O-CB 3.24Å; F162-W166 WeakPolarHBondContact O-CB 3.48Å; F162-W166 PolarHBondContact O-N 2.8Å; W166-S168 VanDerWaalsContact C-N 3.34Å; W166-S168 PolarHBondContact O-N 2.68Å; W166-E169 WeakPolarHBondContact O-CB 3.19Å; W166-E169 PolarHBondContact O-N 2.83Å; W166-E170 HydrophobicContact CZ2-CG 4.42Å; W166-E170 PolarHBondContact O-N 3.04Å; W166-V513 HydrophobicContact CB-CB 4.4Å; W166-V513 HydrophobicContact CB-CG2 4.11Å; W166-V513 HydrophobicContact CE3-CG2 4.48Å; W166-V513 HydrophobicContact CG-CG2 4.39Å; W166-E514 HydrophobicContact CD2-CB 4.49Å; W166-E514 HydrophobicContact CE3-CB 4.01Å; W166-E514 HydrophobicContact CH2-CB 3.49Å; W166-E514 VanDerWaalsContact CH2-CB 3.49Å; W166-E514 HydrophobicContact CZ2-CB 4.02Å; W166-E514 HydrophobicContact CZ3-CB 3.49Å; W166-E514 VanDerWaalsContact CZ3-CB 3.49Å; W166-S530 PolarHBondContact NE1-O 3.08Å
167	F	98.9	Very high	98.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-75.1	-22.3	-179	-73.4	-62.7	0	0	0	113.7	F163 E165 E169 E170 A171 R213 G216 A217 A220 I534	F163-F167 HydrophobicContact CD1-CD2 4.44Å; F163-F167 AromaticContact CD1-CE2 3.98Å; F163-F167 HydrophobicContact CD1-CE2 3.98Å; F163-F167 WeakPolarHBondContact O-CB 3.08Å; F163-F167 VanDerWaalsContact O-CD2 3.28Å; F163-F167 WeakPolarHBondContact O-CD2 3.4Å; F163-F167 PolarHBondContact O-N 3.5Å; E165-F167 PolarHBondContact O-N 3.39Å; F167-E169 PolarHBondContact O-N 3.43Å; F167-E170 HydrophobicContact CD1-CB 4.14Å; F167-E170 HydrophobicContact CD1-CG 4.4Å; F167-E170 PolarHBondContact O-N 3.34Å; F167-A171 PolarHBondContact O-N 2.89Å; F167-R213 WeakPolarHBondContact CE2-O 3.28Å; F167-G216 VanDerWaalsContact CB-C 3.42Å; F167-G216 WeakPolarHBondContact CB-O 3.33Å; F167-A217 HydrophobicContact CD1-CB 3.88Å; F167-A217 HydrophobicContact CD2-CB 4.06Å; F167-A217 HydrophobicContact CE1-CB 3.69Å; F167-A217 HydrophobicContact CE2-CB 3.85Å; F167-A217 HydrophobicContact CG-CB 4.08Å; F167-A217 HydrophobicContact CZ-CB 3.67Å; F167-A220 HydrophobicContact CB-CB 4.02Å; F167-A220 WeakPolarHBondContact O-CB 3.23Å; F167-I534 HydrophobicContact CE1-CB 4.35Å
168	S	98.7	Very high	98.7	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.028	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-40.7	164.7	153.1	0	0	0	0	110.7	S121 L164 E165 W166	S121-S168 WeakPolarHBondContact CB-O 3.5Å; S121-S168 PolarHBondContact O-OG 2.81Å; S121-S168 PolarHBondContact OG-O 3.24Å; S121-S168 PolarHBondContact OG-OG 2.86Å; L164-S168 WeakPolarHBondContact O-CB 3.45Å; L164-S168 PolarHBondContact O-N 3.35Å; E165-S168 VanDerWaalsContact O-CB 3.22Å; E165-S168 WeakPolarHBondContact O-CB 3.44Å; E165-S168 PolarHBondContact O-N 3.27Å; E165-S168 VanDerWaalsContact O-N 3.15Å; W166-S168 VanDerWaalsContact C-N 3.34Å; W166-S168 PolarHBondContact O-N 2.68Å
169	E	98.8	Very high	98.7	Very high	85 Å²	85	54.7 Å²	54.7	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-74.6	-42.2	178.9	-63.8	-177.1	-169.9	0	0	112.2	E165 W166 F167 A171 R172 R173	E165-E169 PolarHBondContact O-N 3.21Å; E165-E169 VanDerWaalsContact O-N 3.16Å; W166-E169 WeakPolarHBondContact O-CB 3.19Å; W166-E169 PolarHBondContact O-N 2.83Å; F167-E169 PolarHBondContact O-N 3.43Å; E169-A171 PolarHBondContact O-N 3.42Å; E169-R172 PolarHBondContact O-N 3.27Å; E169-R173 VanDerWaalsContact C-NH1 3.34Å; E169-R173 PolarHBondContact O-NH1 3.16Å
170	E	98.9	Very high	98.7	Very high	24 Å²	24	61.5 Å²	61.5	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-24.9	179	-69.9	-62	92.1	0	0	113.4	W166 F167 R172 R173 K531 I534	W166-E170 HydrophobicContact CZ2-CG 4.42Å; W166-E170 PolarHBondContact O-N 3.04Å; F167-E170 HydrophobicContact CD1-CB 4.14Å; F167-E170 HydrophobicContact CD1-CG 4.4Å; F167-E170 PolarHBondContact O-N 3.34Å; E170-R172 PolarHBondContact O-N 2.93Å; E170-R173 PolarHBondContact O-N 2.67Å; E170-R173 WeakPolarHBondContact OE1-CD 3.43Å; E170-K531 WeakPolarHBondContact OE2-CA 3.37Å; E170-I534 HydrophobicContact CB-CD1 4.18Å
171	A	98.8	Very high	98.6	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.017	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-32.1	177.9	0	0	0	0	0	113.5	A117 F167 E169 A220	A117-A171 VanDerWaalsContact CB-O 3.28Å; A117-A171 WeakPolarHBondContact CB-O 2.9Å; F167-A171 PolarHBondContact O-N 2.89Å; E169-A171 PolarHBondContact O-N 3.42Å; A171-A220 HydrophobicContact CB-CB 3.8Å
172	R	98.7	Very high	98.6	Very high	144 Å²	144	69.1 Å²	69.1	54%	0.543	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	0.2	-177.5	-61.6	177.5	65.7	-166.6	-4.4	113.9	A117 E169 E170	A117-R172 HydrophobicContact CB-CG 4.39Å; E169-R172 PolarHBondContact O-N 3.27Å; E170-R172 PolarHBondContact O-N 2.93Å
173	R	98.8	Very high	98.5	Very high	113 Å²	113	67.2 Å²	67.2	43%	0.426	34%	0.337	S	S	.	.			trans	-116.6	18.5	-172	-62.1	-177.1	170.9	88	-13	113.2	E169 E170 Y175	E169-R173 VanDerWaalsContact C-NH1 3.34Å; E169-R173 PolarHBondContact O-NH1 3.16Å; E170-R173 PolarHBondContact O-N 2.67Å; E170-R173 WeakPolarHBondContact OE1-CD 3.43Å; R173-Y175 HydrophobicContact CB-CE2 3.9Å; R173-Y175 HydrophobicContact CG-CE2 4.45Å; R173-Y175 WeakPolarHBondContact O-CD2 3.24Å; R173-Y175 WeakPolarHBondContact O-CE2 3.28Å; R173-Y175 PolarHBondContact O-N 3.1Å
174	V	98.8	Very high	98.5	Very high	44 Å²	44	76.4 Å²	76.4	27%	0.267	38%	0.377	S	S	.	.			trans	-76.8	89.3	171.6	-179.9	0	0	0	0	109.2	K192 I534 L538	V174-K192 HydrophobicContact CG1-CB 3.51Å; V174-K192 HydrophobicContact CG1-CD 4.01Å; V174-K192 HydrophobicContact CG1-CG 4.29Å; V174-I534 HydrophobicContact CG2-CD1 3.54Å; V174-I534 HydrophobicContact CG2-CG1 4.31Å; V174-L538 HydrophobicContact CG1-CD1 3.65Å; V174-L538 HydrophobicContact CG1-CD2 4.09Å; V174-L538 HydrophobicContact CG2-CD1 4.04Å
175	Y	98.8	Very high	98.4	Very high	155 Å²	155	79.7 Å²	79.7	61%	0.608	39%	0.394	S	S	*	.			trans	-89.5	142.3	179.8	-53.4	-59.2	0	0	0	111.8	R173 K192	R173-Y175 HydrophobicContact CB-CE2 3.9Å; R173-Y175 HydrophobicContact CG-CE2 4.45Å; R173-Y175 WeakPolarHBondContact O-CD2 3.24Å; R173-Y175 WeakPolarHBondContact O-CE2 3.28Å; R173-Y175 PolarHBondContact O-N 3.1Å; Y175-K192 VanDerWaalsContact O-CD 3.31Å; Y175-K192 WeakPolarHBondContact O-CD 3.39Å; Y175-K192 VanDerWaalsContact O-CE 3.31Å; Y175-K192 WeakPolarHBondContact O-CE 3.39Å
176	G	98.6	Very high	98.3	Very high	42 Å²	42	81.7 Å²	81.7	43%	0.433	40%	0.4	S	S	.	.			trans	-96	-174.9	164.6	0	0	0	0	0	111.6	V190	G176-V190 CarbonylContact C-O 3.52Å; G176-V190 WeakPolarHBondContact CA-O 3.06Å
177	D	98.8	Very high	98.3	Very high	85 Å²	85	85 Å²	85	46%	0.455	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.5	-176	-53.6	-81.1	0	0	0	111.9	I179 L189 V190	D177-I179 HydrophobicContact CB-CG1 4.22Å; D177-L189 CarbonylContact O-C 3.59Å; D177-L189 WeakPolarHBondContact O-CA 3.48Å; D177-V190 HydrophobicContact CB-CB 4.01Å; D177-V190 HydrophobicContact CB-CG2 4.27Å; D177-V190 PolarHBondContact N-O 3.06Å; D177-V190 PolarHBondContact O-N 3.15Å
178	I	98.8	Very high	98.3	Very high	138 Å²	138	85.1 Å²	85.1	71%	0.708	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.4	165	-56.1	-175.6	0	0	0	107.1	A188 L189	I178-A188 WeakPolarHBondContact CA-O 2.97Å; I178-L189 HydrophobicContact CB-CD2 4.39Å; I178-L189 HydrophobicContact CD1-CD2 4.15Å; I178-L189 HydrophobicContact CG1-CD2 3.77Å; I178-L189 HydrophobicContact CG2-CD2 4.15Å
179	I	98.7	Very high	98.3	Very high	89 Å²	89	87.3 Å²	87.3	46%	0.456	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.5	-172.2	-55.1	172.4	0	0	0	109.2	D177 A188 V190	D177-I179 HydrophobicContact CB-CG1 4.22Å; I179-A188 HydrophobicContact CB-CB 4.05Å; I179-A188 PolarHBondContact N-O 3.26Å; I179-V190 HydrophobicContact CD1-CG2 3.8Å
180	H	97.9	Very high	98.3	Very high	181 Å²	181	84.2 Å²	84.2	84%	0.838	41%	0.412	S	S	*	.			trans	-72.6	131.4	174.2	-170.7	74	0	0	0	110.4
181	T	97.4	Very high	98.3	Very high	27 Å²	27	86.7 Å²	86.7	17%	0.166	43%	0.425	C	S	.	.			trans	-113.5	148	178.5	57.1	0	0	0	0	111	A183 A188	T181-A183 VanDerWaalsContact C-N 3.26Å; T181-A183 PolarHBondContact O-N 3.39Å; T181-A183 PolarHBondContact OG1-O 2.8Å; T181-A188 HydrophobicContact CG2-CB 3.63Å
182	P	97.8	Very high	98.3	Very high	133 Å²	133	89.6 Å²	89.6	86%	0.864	44%	0.437	S	S	*	.	S	Bend	trans	-58.4	-36	174.8	-26.1	34.8	0	0	0	113.9
183	A	97.4	Very high	98.3	Very high	37 Å²	37	85.5 Å²	85.5	31%	0.306	42%	0.424	S	S	.	.			trans	-71.2	128.1	177.7	0	0	0	0	0	110.6	T181 D185 R186	T181-A183 VanDerWaalsContact C-N 3.26Å; T181-A183 PolarHBondContact O-N 3.39Å; T181-A183 PolarHBondContact OG1-O 2.8Å; A183-D185 WeakPolarHBondContact CB-OD1 3.29Å; A183-R186 HydrophobicContact CB-CG 4.04Å
184	K	97.4	Very high	98.3	Very high	196 Å²	196	81.2 Å²	81.2	85%	0.852	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-20.9	-173.3	-63.4	-179.7	-179.7	179.2	0	113.9	R186 R187	K184-R186 VanDerWaalsContact C-N 3.29Å; K184-R186 PolarHBondContact O-N 3.01Å; K184-R187 PolarHBondContact O-NH1 2.73Å
185	D	97.3	Very high	98.3	Very high	68 Å²	68	80.2 Å²	80.2	36%	0.364	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	5.8	-174.1	69.5	-30.9	0	0	0	114.2	A183 G547 L548	A183-D185 WeakPolarHBondContact CB-OD1 3.29Å; D185-G547 PolarHBondContact O-N 2.86Å; D185-L548 PolarHBondContact O-N 3.08Å
186	R	97.3	Very high	98.3	Very high	91 Å²	91	72.9 Å²	72.9	34%	0.343	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	165.8	-174	68	-165.7	68.2	-163.2	-4.5	114	A183 K184 Y545	A183-R186 HydrophobicContact CB-CG 4.04Å; K184-R186 VanDerWaalsContact C-N 3.29Å; K184-R186 PolarHBondContact O-N 3.01Å; R186-Y545 CarbonylContact C-O 3.44Å; R186-Y545 WeakPolarHBondContact CA-O 3.45Å
187	R	97.9	Very high	98.3	Very high	126 Å²	126	71 Å²	71	48%	0.475	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144	167.8	-61.2	-65.2	178.3	-84.9	-4.4	109.7	K184 Y545 L548	K184-R187 PolarHBondContact O-NH1 2.73Å; R187-Y545 PolarHBondContact N-O 3.02Å; R187-Y545 PolarHBondContact O-N 3.41Å; R187-L548 HydrophobicContact CB-CD1 4.44Å; R187-L548 HydrophobicContact CG-CD1 3.59Å
188	A	98.7	Very high	98.3	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.033	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.4	172.5	0	0	0	0	0	110	I178 I179 T181 Y542	I178-A188 WeakPolarHBondContact CA-O 2.97Å; I179-A188 HydrophobicContact CB-CB 4.05Å; I179-A188 PolarHBondContact N-O 3.26Å; T181-A188 HydrophobicContact CG2-CB 3.63Å; A188-Y542 HydrophobicContact CB-CD2 4.45Å; A188-Y542 HydrophobicContact CB-CE2 3.64Å
189	L	98.8	Very high	98.4	Very high	50 Å²	50	60.3 Å²	60.3	26%	0.262	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.8	173.3	-47.6	171.2	0	0	0	108.8	D177 I178 Y542 V543	D177-L189 CarbonylContact O-C 3.59Å; D177-L189 WeakPolarHBondContact O-CA 3.48Å; I178-L189 HydrophobicContact CB-CD2 4.39Å; I178-L189 HydrophobicContact CD1-CD2 4.15Å; I178-L189 HydrophobicContact CG1-CD2 3.77Å; I178-L189 HydrophobicContact CG2-CD2 4.15Å; L189-Y542 CarbonylContact O-C 3.54Å; L189-Y542 WeakPolarHBondContact O-CA 3.43Å; L189-V543 HydrophobicContact CB-CB 4.24Å; L189-V543 PolarHBondContact N-O 3Å; L189-V543 PolarHBondContact O-N 3.24Å
190	V	98.9	Very high	98.4	Very high	19 Å²	19	56.1 Å²	56.1	12%	0.115	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.7	170.4	-177.6	0	0	0	0	108	G176 D177 I179 L540 K541	G176-V190 CarbonylContact C-O 3.52Å; G176-V190 WeakPolarHBondContact CA-O 3.06Å; D177-V190 HydrophobicContact CB-CB 4.01Å; D177-V190 HydrophobicContact CB-CG2 4.27Å; D177-V190 PolarHBondContact N-O 3.06Å; D177-V190 PolarHBondContact O-N 3.15Å; I179-V190 HydrophobicContact CD1-CG2 3.8Å; V190-L540 HydrophobicContact CG1-CB 4.27Å; V190-L540 HydrophobicContact CG1-CD2 4.21Å; V190-K541 CarbonylContact C-O 3.2Å; V190-K541 WeakPolarHBondContact CA-O 3.35Å
191	L	98.8	Very high	98.4	Very high	77 Å²	77	48.2 Å²	48.2	40%	0.403	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	150.2	174.4	-51.3	179.3	0	0	0	109.7	L540 K541 V543	L191-L540 CarbonylContact O-C 3.56Å; L191-L540 WeakPolarHBondContact O-CA 3.45Å; L191-K541 HydrophobicContact CB-CB 4.35Å; L191-K541 PolarHBondContact N-O 3.36Å; L191-K541 PolarHBondContact O-N 2.92Å; L191-V543 HydrophobicContact CD1-CG2 4.02Å; L191-V543 HydrophobicContact CG-CG2 4.27Å
192	K	98.9	Very high	98.5	Very high	62 Å²	62	47.2 Å²	47.2	27%	0.27	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.8	169.1	-60.3	-162.2	176.3	-173.7	0	109.8	V174 Y175 D535 L538 E539 L540	V174-K192 HydrophobicContact CG1-CB 3.51Å; V174-K192 HydrophobicContact CG1-CD 4.01Å; V174-K192 HydrophobicContact CG1-CG 4.29Å; Y175-K192 VanDerWaalsContact O-CD 3.31Å; Y175-K192 WeakPolarHBondContact O-CD 3.39Å; Y175-K192 VanDerWaalsContact O-CE 3.31Å; Y175-K192 WeakPolarHBondContact O-CE 3.39Å; K192-D535 IonicContact NZ-OD1 2.66Å; K192-D535 PolarHBondContact NZ-OD1 3.08Å; K192-L538 HydrophobicContact CB-CD1 4.35Å; K192-L538 HydrophobicContact CD-CD1 4.08Å; K192-E539 WeakPolarHBondContact CA-O 3.28Å; K192-L540 HydrophobicContact CD-CD2 4.08Å; K192-L540 HydrophobicContact CG-CD2 3.67Å
193	Q	98.9	Very high	98.5	Very high	58 Å²	58	41.8 Å²	41.8	27%	0.271	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150	-177.7	-59.6	-166.4	-85.5	0	0	111.4	L538 E539 K541	Q193-L538 CarbonylContact O-C 3.45Å; Q193-L538 WeakPolarHBondContact O-CA 3.43Å; Q193-E539 PolarHBondContact N-O 3.08Å; Q193-E539 PolarHBondContact O-N 2.91Å; Q193-K541 VanDerWaalsContact OE1-CE 3.29Å
194	P	98.9	Very high	98.5	Very high	24 Å²	24	41.9 Å²	41.9	16%	0.156	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	140.7	179.6	23.3	-32.8	0	0	0	112.2	F109 R113 A221 Y537	F109-P194 HydrophobicContact CE2-CB 4.05Å; F109-P194 HydrophobicContact CE2-CG 3.95Å; F109-P194 HydrophobicContact CZ-CG 4.44Å; R113-P194 HydrophobicContact CB-CG 4.1Å; P194-A221 WeakPolarHBondContact CB-O 3.42Å; P194-Y537 WeakPolarHBondContact CA-O 3.45Å
195	I	98.8	Very high	98.5	Very high	22 Å²	22	32.8 Å²	32.8	11%	0.113	15%	0.154	C	C	.	.			trans	-64.2	-41.1	-179.3	-71.3	165.9	0	0	0	112.2	S291 K292 R315 E536 Y537 E539	I195-S291 VanDerWaalsContact CG2-CB 3.48Å; I195-K292 HydrophobicContact CD1-CD 4.29Å; I195-K292 HydrophobicContact CG2-CB 4.12Å; I195-R315 HydrophobicContact CD1-CB 4.15Å; I195-R315 HydrophobicContact CD1-CG 4Å; I195-E536 VanDerWaalsContact CD1-O 3.23Å; I195-E536 WeakPolarHBondContact CD1-O 3.44Å; I195-Y537 VanDerWaalsContact CD1-C 3.47Å; I195-Y537 PolarHBondContact N-O 3.15Å; I195-E539 HydrophobicContact CG1-CG 3.82Å
196	G	98.8	Very high	98.6	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.021	14%	0.143	C	C	.	.			trans	142.4	-136.6	-176.2	0	0	0	0	0	114	C223 T224	G196-C223 WeakPolarHBondContact O-CA 3.27Å; G196-C223 WeakPolarHBondContact O-CB 3.25Å; G196-C223 PolarHBondContact O-SG 3.14Å; G196-T224 PolarHBondContact O-N 3.3Å
197	V	98.9	Very high	98.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.6	173.2	-176.8	0	0	0	0	109.6	A105 Y106 F109 T224 V226 L289 V290 S291 K292	A105-V197 HydrophobicContact CB-CG1 3.69Å; A105-V197 HydrophobicContact CB-CG2 4.2Å; Y106-V197 VanDerWaalsContact CA-CG2 3.48Å; Y106-V197 HydrophobicContact CD2-CG2 4.05Å; Y106-V197 HydrophobicContact CG-CG2 4.48Å; F109-V197 HydrophobicContact CB-CG2 4.38Å; V197-T224 WeakPolarHBondContact CA-O 3.35Å; V197-V226 HydrophobicContact CG1-CG2 4.41Å; V197-L289 WeakPolarHBondContact CB-O 3.38Å; V197-V290 HydrophobicContact CG1-CG2 4.19Å; V197-S291 PolarHBondContact O-N 3.15Å; V197-K292 PolarHBondContact O-N 2.91Å
198	A	98.9	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.3	174.2	0	0	0	0	0	112.1	T224 V225 V226 K292 Y537	A198-T224 PolarHBondContact N-O 3.06Å; A198-V225 HydrophobicContact CB-CG1 4.34Å; A198-V225 VanDerWaalsContact O-CA 3.3Å; A198-V225 WeakPolarHBondContact O-CA 3.36Å; A198-V226 PolarHBondContact O-N 3.25Å; A198-K292 CarbonylContact C-O 3.55Å; A198-K292 VanDerWaalsContact CA-O 3.26Å; A198-K292 WeakPolarHBondContact CA-O 3.48Å; A198-K292 HydrophobicContact CB-CB 3.85Å; A198-K292 HydrophobicContact CB-CG 3.91Å; A198-Y537 HydrophobicContact CB-CD1 4.41Å; A198-Y537 HydrophobicContact CB-CE1 4.03Å
199	A	98.9	Very high	98.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.9	164.8	0	0	0	0	0	109.1	I284 V290 K292 I293 S294	A199-I284 HydrophobicContact CB-CB 4.1Å; A199-I284 HydrophobicContact CB-CD1 4.05Å; A199-I284 HydrophobicContact CB-CG1 3.93Å; A199-V290 HydrophobicContact CB-CG1 3.88Å; A199-K292 PolarHBondContact N-O 3.28Å; A199-I293 HydrophobicContact CB-CG1 4.42Å; A199-I293 CarbonylContact O-C 3.45Å; A199-I293 WeakPolarHBondContact O-CA 3.41Å; A199-S294 PolarHBondContact O-N 3.25Å
200	V	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.1	-177	173.9	0	0	0	0	108.7	T202 K214 V225 V226 V227 K228 S294	V200-T202 HydrophobicContact CG1-CG2 3.97Å; V200-K214 HydrophobicContact CG1-CB 4.09Å; V200-K214 HydrophobicContact CG1-CD 3.7Å; V200-V225 HydrophobicContact CG2-CB 4.16Å; V200-V225 HydrophobicContact CG2-CG1 4.09Å; V200-V226 PolarHBondContact N-O 2.92Å; V200-V227 HydrophobicContact CB-CG2 4.07Å; V200-V227 HydrophobicContact CG1-CG1 4.38Å; V200-V227 HydrophobicContact CG1-CG2 4.21Å; V200-V227 CarbonylContact O-C 3.59Å; V200-V227 VanDerWaalsContact O-CA 3.25Å; V200-V227 WeakPolarHBondContact O-CA 3.47Å; V200-K228 PolarHBondContact O-N 3.24Å; V200-S294 WeakPolarHBondContact CA-O 3.28Å
201	I	98.9	Very high	98.6	Very high	16 Å²	16	17.8 Å²	17.8	8%	0.082	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.7	-179.6	-58.4	169.3	0	0	0	108.2	K228 I284 S294 F295 T296 L305	I201-K228 WeakPolarHBondContact CA-O 3.42Å; I201-K228 HydrophobicContact CG1-CB 4.22Å; I201-I284 HydrophobicContact CD1-CD1 4.12Å; I201-I284 HydrophobicContact CG1-CD1 3.99Å; I201-S294 PolarHBondContact N-O 3.01Å; I201-F295 HydrophobicContact CB-CD2 3.79Å; I201-F295 HydrophobicContact CG2-CD2 3.64Å; I201-F295 HydrophobicContact CG2-CE2 3.93Å; I201-F295 WeakPolarHBondContact O-CA 3.46Å; I201-T296 PolarHBondContact O-N 3.12Å; I201-L305 HydrophobicContact CD1-CD1 3.8Å; I201-L305 HydrophobicContact CD1-CD2 4.3Å
202	T	98.7	Very high	98.6	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.031	7%	0.07	C	C	.	.			trans	-123.5	149.3	-170.8	54.7	0	0	0	0	113.1	V200 M210 I211 K214 K228 A230	V200-T202 HydrophobicContact CG1-CG2 3.97Å; T202-M210 HydrophobicContact CG2-CB 3.95Å; T202-I211 HydrophobicContact CG2-CG1 3.86Å; T202-K214 HydrophobicContact CG2-CD 4Å; T202-K228 PolarHBondContact N-O 3.02Å; T202-A230 PolarHBondContact O-N 3.23Å; T202-A230 VanDerWaalsContact O-N 3.15Å
203	P	98.2	Very high	98.6	Very high	19 Å²	19	11.6 Å²	11.6	12%	0.123	6%	0.058	C	C	.	.			trans	-82	178.6	178.3	39.3	-40.9	0	0	0	111.3	N205 M210 T296	P203-N205 WeakPolarHBondContact CG-OD1 3.48Å; P203-M210 HydrophobicContact CG-CG 3.93Å; P203-M210 HydrophobicContact CG-SD 4.32Å; P203-T296 VanDerWaalsContact CD-O 3.31Å; P203-T296 WeakPolarHBondContact CD-O 3.38Å; P203-T296 HydrophobicContact CG-CG2 3.75Å
204	W	98.2	Very high	98.6	Very high	40 Å²	40	8.8 Å²	8.8	15%	0.152	5%	0.045	C	C	.	.	S	Bend	trans	-88.4	-18.7	-177.4	56.7	-98.3	0	0	0	114.9	F206 P207 A230 D232 T233 Q351 I397 F453	W204-F206 PolarHBondContact O-N 3.03Å; W204-P207 WeakPolarHBondContact O-CD 3.36Å; W204-A230 HydrophobicContact CB-CB 3.73Å; W204-D232 HydrophobicContact CB-CB 4.09Å; W204-T233 WeakPolarHBondContact CA-OG1 3.44Å; W204-T233 HydrophobicContact CB-CG2 3.91Å; W204-T233 WeakPolarHBondContact CB-OG1 3.33Å; W204-Q351 HydrophobicContact CH2-CB 3.5Å; W204-Q351 VanDerWaalsContact CH2-CD 3.47Å; W204-Q351 HydrophobicContact CH2-CG 3.77Å; W204-Q351 HydrophobicContact CZ3-CB 3.93Å; W204-Q351 HydrophobicContact CZ3-CG 4.39Å; W204-I397 HydrophobicContact CD2-CB 4.07Å; W204-I397 HydrophobicContact CD2-CD1 4.13Å; W204-I397 HydrophobicContact CD2-CG1 3.72Å; W204-I397 HydrophobicContact CD2-CG2 4.25Å; W204-I397 HydrophobicContact CE3-CB 3.84Å; W204-I397 HydrophobicContact CE3-CD1 3.71Å; W204-I397 HydrophobicContact CE3-CG1 3.69Å; W204-I397 HydrophobicContact CE3-CG2 4.42Å; W204-I397 HydrophobicContact CG-CG1 4.17Å; W204-I397 HydrophobicContact CH2-CB 3.67Å; W204-I397 HydrophobicContact CH2-CG1 4.4Å; W204-I397 HydrophobicContact CH2-CG2 3.65Å; W204-I397 HydrophobicContact CZ2-CB 3.92Å; W204-I397 HydrophobicContact CZ2-CG1 4.45Å; W204-I397 HydrophobicContact CZ2-CG2 3.46Å; W204-I397 VanDerWaalsContact CZ2-CG2 3.46Å; W204-I397 HydrophobicContact CZ3-CB 3.65Å; W204-I397 HydrophobicContact CZ3-CD1 4.2Å; W204-I397 HydrophobicContact CZ3-CG1 4.06Å; W204-I397 HydrophobicContact CZ3-CG2 4.15Å; W204-F453 HydrophobicContact CH2-CD1 4.49Å; W204-F453 HydrophobicContact CZ2-CD1 4.1Å
205	N	97.1	Very high	98.6	Very high	4 Å²	4	7.7 Å²	7.7	2%	0.021	4%	0.038	C	C	.	.	S	Bend	trans	-66.7	-33.6	-168.9	59	-8.6	0	0	0	113.9	K148 P203 N348 Q351	K148-N205 PolarHBondContact NZ-O 3.36Å; P203-N205 WeakPolarHBondContact CG-OD1 3.48Å; N205-N348 PolarHBondContact O-ND2 2.77Å; N205-Q351 WeakPolarHBondContact CB-O 3.49Å
206	F	98.3	Very high	98.6	Very high	29 Å²	29	6.6 Å²	6.6	13%	0.127	3%	0.032	C	C	.	.	S	Bend	trans	-133.6	77	171.5	-71.2	-92.7	0	0	0	108.5	E156 W204 S208 A209 M210 T352	E156-F206 HydrophobicContact CB-CD1 4.24Å; E156-F206 HydrophobicContact CG-CD1 3.89Å; E156-F206 WeakPolarHBondContact OE1-CA 3.49Å; E156-F206 WeakPolarHBondContact OE1-CB 3.18Å; E156-F206 WeakPolarHBondContact OE2-CA 3.32Å; E156-F206 WeakPolarHBondContact OE2-CD1 3.34Å; W204-F206 PolarHBondContact O-N 3.03Å; F206-S208 PolarHBondContact O-N 2.76Å; F206-S208 VanDerWaalsContact O-N 3.09Å; F206-A209 HydrophobicContact CB-CB 4.37Å; F206-M210 HydrophobicContact CB-CE 3.92Å; F206-M210 HydrophobicContact CB-CG 3.72Å; F206-M210 HydrophobicContact CB-SD 4.41Å; F206-M210 HydrophobicContact CD2-CE 4.43Å; F206-M210 HydrophobicContact CG-CE 4.34Å; F206-M210 WeakPolarHBondContact O-CB 3.17Å; F206-M210 WeakPolarHBondContact O-CG 3.48Å; F206-M210 PolarHBondContact O-N 3.09Å; F206-M210 VanDerWaalsContact O-N 3.15Å; F206-T352 HydrophobicContact CE2-CG2 3.47Å; F206-T352 VanDerWaalsContact CE2-CG2 3.47Å; F206-T352 HydrophobicContact CZ-CG2 3.68Å
207	P	98.5	Very high	98.6	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.013	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12	-165.3	32.3	-37.9	0	0	0	113.8	I142 E156 W204 I211 T233	I142-P207 HydrophobicContact CG1-CG 4.11Å; I142-P207 HydrophobicContact CG2-CG 4.21Å; E156-P207 VanDerWaalsContact OE1-CD 3.28Å; E156-P207 WeakPolarHBondContact OE1-CD 3.49Å; W204-P207 WeakPolarHBondContact O-CD 3.36Å; P207-I211 WeakPolarHBondContact O-CD1 3.26Å; P207-T233 HydrophobicContact CB-CG2 4.4Å; P207-T233 WeakPolarHBondContact CB-OG1 3.46Å
208	S	98.6	Very high	98.6	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.014	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-53.7	172.9	-174.1	0	0	0	0	111.6	E156 S160 F206 M210 I211 T212	E156-S208 PolarHBondContact OE1-N 2.98Å; S160-S208 WeakPolarHBondContact CB-OG 3.35Å; S160-S208 VanDerWaalsContact OG-C 3.29Å; S160-S208 PolarHBondContact OG-O 2.69Å; S160-S208 PolarHBondContact OG-OG 3.3Å; F206-S208 PolarHBondContact O-N 2.76Å; F206-S208 VanDerWaalsContact O-N 3.09Å; S208-M210 VanDerWaalsContact C-N 3.33Å; S208-M210 PolarHBondContact O-N 3.01Å; S208-I211 WeakPolarHBondContact O-CB 3.38Å; S208-I211 PolarHBondContact O-N 3.08Å; S208-T212 PolarHBondContact O-N 3.12Å; S208-T212 VanDerWaalsContact O-N 3.14Å; S208-T212 PolarHBondContact O-OG1 3.24Å
209	A	98.4	Very high	98.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-67.5	-30.6	-171.6	0	0	0	0	0	113.6	E156 Y159 F206 I211 T212 R213	E156-A209 HydrophobicContact CG-CB 3.85Å; E156-A209 PolarHBondContact OE1-N 2.86Å; E156-A209 VanDerWaalsContact OE1-N 3.08Å; Y159-A209 HydrophobicContact CD1-CB 3.99Å; F206-A209 HydrophobicContact CB-CB 4.37Å; A209-I211 PolarHBondContact O-N 3.17Å; A209-T212 PolarHBondContact O-OG1 2.75Å; A209-R213 WeakPolarHBondContact O-CB 3.28Å; A209-R213 WeakPolarHBondContact O-CG 3.29Å; A209-R213 PolarHBondContact O-N 3.1Å; A209-R213 VanDerWaalsContact O-N 3.14Å
210	M	98.4	Very high	98.6	Very high	9 Å²	9	6.5 Å²	6.5	4%	0.044	3%	0.031	C	C	.	.	H	α-helix	trans	-66.3	-27.5	175.7	-60.5	-69.5	99.5	0	0	112.3	T202 P203 F206 S208 R213 K214 T296	T202-M210 HydrophobicContact CG2-CB 3.95Å; P203-M210 HydrophobicContact CG-CG 3.93Å; P203-M210 HydrophobicContact CG-SD 4.32Å; F206-M210 HydrophobicContact CB-CE 3.92Å; F206-M210 HydrophobicContact CB-CG 3.72Å; F206-M210 HydrophobicContact CB-SD 4.41Å; F206-M210 HydrophobicContact CD2-CE 4.43Å; F206-M210 HydrophobicContact CG-CE 4.34Å; F206-M210 WeakPolarHBondContact O-CB 3.17Å; F206-M210 WeakPolarHBondContact O-CG 3.48Å; F206-M210 PolarHBondContact O-N 3.09Å; F206-M210 VanDerWaalsContact O-N 3.15Å; S208-M210 VanDerWaalsContact C-N 3.33Å; S208-M210 PolarHBondContact O-N 3.01Å; M210-R213 VanDerWaalsContact CE-NH1 3.34Å; M210-R213 PolarHBondContact SD-NH2 3.46Å; M210-K214 VanDerWaalsContact O-CD 3.32Å; M210-K214 WeakPolarHBondContact O-CD 3.42Å; M210-K214 WeakPolarHBondContact O-CG 3.44Å; M210-T296 HydrophobicContact SD-CG2 4.1Å
211	I	98.8	Very high	98.6	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-79.6	-55.5	178.2	-61.5	175.6	0	0	0	109	T202 P207 S208 A209 R213 K214 V215 V227 A237 L240 Y267	T202-I211 HydrophobicContact CG2-CG1 3.86Å; P207-I211 WeakPolarHBondContact O-CD1 3.26Å; S208-I211 WeakPolarHBondContact O-CB 3.38Å; S208-I211 PolarHBondContact O-N 3.08Å; A209-I211 PolarHBondContact O-N 3.17Å; I211-R213 VanDerWaalsContact C-N 3.32Å; I211-R213 PolarHBondContact O-N 3.04Å; I211-K214 PolarHBondContact O-N 3.48Å; I211-V215 HydrophobicContact CG2-CB 4.45Å; I211-V215 HydrophobicContact CG2-CG2 3.7Å; I211-V215 WeakPolarHBondContact O-CB 3.38Å; I211-V215 VanDerWaalsContact O-CG2 3.28Å; I211-V215 WeakPolarHBondContact O-CG2 3.29Å; I211-V215 PolarHBondContact O-N 3.48Å; I211-V227 HydrophobicContact CD1-CG1 4.24Å; I211-V227 HydrophobicContact CG1-CG1 4.33Å; I211-V227 HydrophobicContact CG2-CG1 4.41Å; I211-V227 HydrophobicContact CG2-CG2 4.4Å; I211-A237 HydrophobicContact CD1-CB 3.35Å; I211-L240 HydrophobicContact CB-CD1 4.03Å; I211-L240 HydrophobicContact CD1-CD1 4.28Å; I211-L240 HydrophobicContact CG2-CD1 3.96Å; I211-Y267 HydrophobicContact CG2-CE2 4.16Å
212	T	98.6	Very high	98.6	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.012	3%	0.029	C	C	.	.	H	α-helix	trans	-64.1	-33.4	-173.7	50.5	0	0	0	0	113.3	M131 S160 L164 S208 A209 K214 G216 L240	M131-T212 HydrophobicContact CE-CG2 4.35Å; M131-T212 HydrophobicContact SD-CG2 4.2Å; S160-T212 VanDerWaalsContact CA-OG1 3.28Å; S160-T212 WeakPolarHBondContact CA-OG1 3.23Å; S160-T212 VanDerWaalsContact O-CB 3.26Å; S160-T212 WeakPolarHBondContact O-CB 3.47Å; S160-T212 PolarHBondContact O-OG1 3.29Å; S160-T212 VanDerWaalsContact O-OG1 3.06Å; S160-T212 WeakPolarHBondContact OG-CB 3.45Å; S160-T212 WeakPolarHBondContact OG-CG2 3.46Å; S160-T212 PolarHBondContact OG-OG1 3.04Å; L164-T212 HydrophobicContact CD1-CG2 4.26Å; L164-T212 HydrophobicContact CD2-CG2 4.19Å; L164-T212 HydrophobicContact CG-CG2 4.06Å; S208-T212 PolarHBondContact O-N 3.12Å; S208-T212 VanDerWaalsContact O-N 3.14Å; S208-T212 PolarHBondContact O-OG1 3.24Å; A209-T212 PolarHBondContact O-OG1 2.75Å; T212-K214 VanDerWaalsContact C-N 3.26Å; T212-K214 PolarHBondContact O-N 2.97Å; T212-G216 WeakPolarHBondContact O-CA 3.38Å; T212-G216 PolarHBondContact O-N 2.84Å; T212-L240 HydrophobicContact CG2-CD1 3.94Å; T212-L240 HydrophobicContact CG2-CD2 3.96Å
213	R	98.6	Very high	98.6	Very high	7 Å²	7	5.7 Å²	5.7	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-61.9	-32.7	174.2	76.8	-175.5	-179.4	165	4.4	113.6	F163 F167 A209 M210 I211 T296 E319 E528	F163-R213 HydrophobicContact CB-CB 4.46Å; F163-R213 HydrophobicContact CD1-CB 3.77Å; F163-R213 HydrophobicContact CD2-CB 3.63Å; F163-R213 HydrophobicContact CE1-CB 3.79Å; F163-R213 HydrophobicContact CE2-CB 3.64Å; F163-R213 HydrophobicContact CG-CB 3.7Å; F163-R213 HydrophobicContact CZ-CB 3.72Å; F167-R213 WeakPolarHBondContact CE2-O 3.28Å; A209-R213 WeakPolarHBondContact O-CB 3.28Å; A209-R213 WeakPolarHBondContact O-CG 3.29Å; A209-R213 PolarHBondContact O-N 3.1Å; A209-R213 VanDerWaalsContact O-N 3.14Å; M210-R213 VanDerWaalsContact CE-NH1 3.34Å; M210-R213 PolarHBondContact SD-NH2 3.46Å; I211-R213 VanDerWaalsContact C-N 3.32Å; I211-R213 PolarHBondContact O-N 3.04Å; R213-T296 PolarHBondContact NH2-OG1 2.72Å; R213-E319 IonicContact CZ-OE2 3.49Å; R213-E319 IonicContact NH1-OE2 3.56Å; R213-E319 IonicContact NH2-OE2 2.92Å; R213-E319 PolarHBondContact NH2-OE2 3.23Å; R213-E528 WeakPolarHBondContact CD-OE2 3.29Å; R213-E528 IonicContact CZ-OE2 2.81Å; R213-E528 IonicContact NE-OE2 3.49Å; R213-E528 PolarHBondContact NE-OE2 3.26Å; R213-E528 IonicContact NH1-OE2 3.89Å; R213-E528 IonicContact NH2-OE2 2.66Å; R213-E528 PolarHBondContact NH2-OE2 3.29Å
214	K	98.9	Very high	98.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-86.7	-48.7	179.1	-65.9	173.9	-172	-62.4	0	111.3	V200 T202 M210 I211 T212 A218 S294 T296 E528 Y537	V200-K214 HydrophobicContact CG1-CB 4.09Å; V200-K214 HydrophobicContact CG1-CD 3.7Å; T202-K214 HydrophobicContact CG2-CD 4Å; M210-K214 VanDerWaalsContact O-CD 3.32Å; M210-K214 WeakPolarHBondContact O-CD 3.42Å; M210-K214 WeakPolarHBondContact O-CG 3.44Å; I211-K214 PolarHBondContact O-N 3.48Å; T212-K214 VanDerWaalsContact C-N 3.26Å; T212-K214 PolarHBondContact O-N 2.97Å; K214-A218 WeakPolarHBondContact O-CB 3.23Å; K214-A218 PolarHBondContact O-N 3.34Å; K214-S294 VanDerWaalsContact CD-OG 3.24Å; K214-S294 WeakPolarHBondContact CD-OG 3.44Å; K214-S294 WeakPolarHBondContact CG-OG 3.47Å; K214-S294 PolarHBondContact NZ-OG 3.24Å; K214-T296 VanDerWaalsContact CE-OG1 3.23Å; K214-T296 WeakPolarHBondContact CE-OG1 3.23Å; K214-T296 PolarHBondContact NZ-OG1 3.3Å; K214-E528 WeakPolarHBondContact CG-OE1 3.38Å; K214-E528 IonicContact NZ-OE1 3.15Å; K214-E528 PolarHBondContact NZ-OE1 3.17Å; K214-E528 IonicContact NZ-OE2 2.86Å; K214-E528 PolarHBondContact NZ-OE2 3.25Å; K214-Y537 PolarHBondContact O-OH 2.76Å
215	V	98.8	Very high	98.6	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-70.5	-39.2	-174.8	173.4	0	0	0	0	111.2	W127 I211 A218 L219 V225 V227 Y267	W127-V215 HydrophobicContact CH2-CG1 4Å; W127-V215 HydrophobicContact CZ3-CG1 4.05Å; I211-V215 HydrophobicContact CG2-CB 4.45Å; I211-V215 HydrophobicContact CG2-CG2 3.7Å; I211-V215 WeakPolarHBondContact O-CB 3.38Å; I211-V215 VanDerWaalsContact O-CG2 3.28Å; I211-V215 WeakPolarHBondContact O-CG2 3.29Å; I211-V215 PolarHBondContact O-N 3.48Å; V215-A218 PolarHBondContact O-N 3.08Å; V215-L219 HydrophobicContact CG1-CD1 3.98Å; V215-L219 HydrophobicContact CG1-CD2 4.22Å; V215-L219 WeakPolarHBondContact O-CB 3.24Å; V215-L219 PolarHBondContact O-N 2.88Å; V215-V225 HydrophobicContact CG1-CG2 4.08Å; V215-V225 HydrophobicContact CG2-CG1 4.46Å; V215-V225 HydrophobicContact CG2-CG2 4.02Å; V215-V227 HydrophobicContact CG2-CG2 3.99Å; V215-Y267 HydrophobicContact CG1-CD2 3.77Å; V215-Y267 HydrophobicContact CG1-CE2 4.09Å; V215-Y267 HydrophobicContact CG2-CD2 4.35Å; V215-Y267 HydrophobicContact CG2-CE2 4.1Å
216	G	98.6	Very high	98.7	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-56.7	-51.8	174.9	0	0	0	0	0	111.5	F167 T212 L219 A220	F167-G216 VanDerWaalsContact CB-C 3.42Å; F167-G216 WeakPolarHBondContact CB-O 3.33Å; T212-G216 WeakPolarHBondContact O-CA 3.38Å; T212-G216 PolarHBondContact O-N 2.84Å; G216-L219 PolarHBondContact O-N 3.07Å; G216-A220 WeakPolarHBondContact O-CB 3.27Å; G216-A220 PolarHBondContact O-N 3.26Å
217	A	98.9	Very high	98.8	Very high	1 Å²	1	1.3 Å²	1.3	1%	0.008	1%	0.007	C	C	.	.	H	α-helix	trans	-60.7	-46	177.2	0	0	0	0	0	112.5	F167 A220 A221 Y537	F167-A217 HydrophobicContact CD1-CB 3.88Å; F167-A217 HydrophobicContact CD2-CB 4.06Å; F167-A217 HydrophobicContact CE1-CB 3.69Å; F167-A217 HydrophobicContact CE2-CB 3.85Å; F167-A217 HydrophobicContact CG-CB 4.08Å; F167-A217 HydrophobicContact CZ-CB 3.67Å; A217-A220 PolarHBondContact O-N 2.86Å; A217-A221 WeakPolarHBondContact O-CB 3.34Å; A217-A221 PolarHBondContact O-N 3.23Å; A217-Y537 HydrophobicContact CB-CD2 3.72Å; A217-Y537 HydrophobicContact CB-CE2 3.59Å
218	A	98.9	Very high	98.8	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-58.6	-51.4	179	0	0	0	0	0	112	K214 V215 A221 G222 C223 V225 Y537	K214-A218 WeakPolarHBondContact O-CB 3.23Å; K214-A218 PolarHBondContact O-N 3.34Å; V215-A218 PolarHBondContact O-N 3.08Å; A218-A221 PolarHBondContact O-N 2.91Å; A218-G222 PolarHBondContact O-N 3.22Å; A218-C223 HydrophobicContact CB-CB 4.17Å; A218-C223 WeakPolarHBondContact O-CA 3.21Å; A218-C223 VanDerWaalsContact O-CB 3.28Å; A218-C223 WeakPolarHBondContact O-CB 3.37Å; A218-C223 PolarHBondContact O-N 3.15Å; A218-V225 HydrophobicContact CB-CG1 3.54Å; A218-Y537 HydrophobicContact CB-CD1 3.61Å; A218-Y537 HydrophobicContact CB-CE1 3.53Å; A218-Y537 HydrophobicContact CB-CG 4.19Å
219	L	98.8	Very high	98.8	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-67.6	-37.4	-178.9	-91.4	56	0	0	0	111.9	W112 R120 L124 W127 V215 G216 A221 G222 V225 I262 V266	W112-L219 HydrophobicContact CZ2-CB 4.36Å; W112-L219 HydrophobicContact CZ2-CG 4.37Å; W112-L219 PolarHBondContact NE1-O 2.91Å; R120-L219 PolarHBondContact NE-O 3.28Å; L124-L219 HydrophobicContact CD1-CB 4.36Å; L124-L219 HydrophobicContact CD2-CB 3.99Å; L124-L219 HydrophobicContact CD2-CD2 4.07Å; L124-L219 HydrophobicContact CG-CB 4.5Å; W127-L219 HydrophobicContact CE3-CD2 4.44Å; W127-L219 HydrophobicContact CZ3-CD2 3.8Å; V215-L219 HydrophobicContact CG1-CD1 3.98Å; V215-L219 HydrophobicContact CG1-CD2 4.22Å; V215-L219 WeakPolarHBondContact O-CB 3.24Å; V215-L219 PolarHBondContact O-N 2.88Å; G216-L219 PolarHBondContact O-N 3.07Å; L219-A221 PolarHBondContact O-N 2.97Å; L219-G222 PolarHBondContact O-N 3.44Å; L219-V225 HydrophobicContact CD1-CG1 4.12Å; L219-V225 HydrophobicContact CD1-CG2 4.27Å; L219-I262 HydrophobicContact CD2-CD1 3.91Å; L219-I262 HydrophobicContact CD2-CG1 4.41Å; L219-I262 HydrophobicContact CD2-CG2 4.27Å; L219-V266 HydrophobicContact CD1-CG1 3.89Å; L219-V266 HydrophobicContact CD2-CG1 3.9Å; L219-V266 HydrophobicContact CG-CG1 3.61Å
220	A	98.8	Very high	98.8	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-59.1	-46.4	175.6	0	0	0	0	0	111.6	R120 L124 F167 A171 G216 A217 G222 I534	R120-A220 PolarHBondContact NE-O 3.12Å; R120-A220 PolarHBondContact NH2-O 3.46Å; L124-A220 HydrophobicContact CD1-CB 3.97Å; F167-A220 HydrophobicContact CB-CB 4.02Å; F167-A220 WeakPolarHBondContact O-CB 3.23Å; A171-A220 HydrophobicContact CB-CB 3.8Å; G216-A220 WeakPolarHBondContact O-CB 3.27Å; G216-A220 PolarHBondContact O-N 3.26Å; A217-A220 PolarHBondContact O-N 2.86Å; A220-G222 PolarHBondContact O-N 3.45Å; A220-I534 HydrophobicContact CB-CD1 3.94Å
221	A	98.9	Very high	98.8	Very high	3 Å²	3	3.4 Å²	3.4	3%	0.025	2%	0.018	C	C	.	.	H	α-helix	trans	-63	-25.1	174.9	0	0	0	0	0	113	P194 A217 A218 L219 I534 L538	P194-A221 WeakPolarHBondContact CB-O 3.42Å; A217-A221 WeakPolarHBondContact O-CB 3.34Å; A217-A221 PolarHBondContact O-N 3.23Å; A218-A221 PolarHBondContact O-N 2.91Å; L219-A221 PolarHBondContact O-N 2.97Å; A221-I534 HydrophobicContact CB-CG1 4Å; A221-L538 HydrophobicContact CB-CD2 3.89Å; A221-L538 HydrophobicContact CB-CG 4.21Å
222	G	98.8	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.5	16.1	-175.4	0	0	0	0	0	114	F109 A218 L219 A220	F109-G222 WeakPolarHBondContact CD2-O 3.46Å; A218-G222 PolarHBondContact O-N 3.22Å; L219-G222 PolarHBondContact O-N 3.44Å; A220-G222 PolarHBondContact O-N 3.45Å
223	C	98.9	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.			trans	-81.6	165.6	170.3	-64.5	0	0	0	0	111.3	W112 G196 A218 Y537	W112-C223 PolarHBondContact NE1-O 3.02Å; G196-C223 WeakPolarHBondContact O-CA 3.27Å; G196-C223 WeakPolarHBondContact O-CB 3.25Å; G196-C223 PolarHBondContact O-SG 3.14Å; A218-C223 HydrophobicContact CB-CB 4.17Å; A218-C223 WeakPolarHBondContact O-CA 3.21Å; A218-C223 VanDerWaalsContact O-CB 3.28Å; A218-C223 WeakPolarHBondContact O-CB 3.37Å; A218-C223 PolarHBondContact O-N 3.15Å; C223-Y537 PolarHBondContact SG-O 3.19Å; C223-Y537 VanDerWaalsContact SG-O 3.4Å
224	T	98.9	Very high	98.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	161.7	167.6	58.4	0	0	0	0	110	A105 A108 F109 W112 G196 V197 A198 V266	A105-T224 PolarHBondContact O-OG1 3.38Å; A108-T224 HydrophobicContact CB-CG2 4.13Å; F109-T224 HydrophobicContact CB-CG2 3.91Å; W112-T224 HydrophobicContact CB-CG2 4.13Å; W112-T224 HydrophobicContact CG-CG2 4.32Å; G196-T224 PolarHBondContact O-N 3.3Å; V197-T224 WeakPolarHBondContact CA-O 3.35Å; A198-T224 PolarHBondContact N-O 3.06Å; T224-V266 HydrophobicContact CG2-CB 4.19Å; T224-V266 HydrophobicContact CG2-CG1 4.21Å; T224-V266 HydrophobicContact CG2-CG2 4.02Å
225	V	98.9	Very high	98.7	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.4	-171.3	-57.6	0	0	0	0	113.8	A198 V200 V215 A218 L219 V227 V266 Y267 N268	A198-V225 HydrophobicContact CB-CG1 4.34Å; A198-V225 VanDerWaalsContact O-CA 3.3Å; A198-V225 WeakPolarHBondContact O-CA 3.36Å; V200-V225 HydrophobicContact CG2-CB 4.16Å; V200-V225 HydrophobicContact CG2-CG1 4.09Å; V215-V225 HydrophobicContact CG1-CG2 4.08Å; V215-V225 HydrophobicContact CG2-CG1 4.46Å; V215-V225 HydrophobicContact CG2-CG2 4.02Å; A218-V225 HydrophobicContact CB-CG1 3.54Å; L219-V225 HydrophobicContact CD1-CG1 4.12Å; L219-V225 HydrophobicContact CD1-CG2 4.27Å; V225-V227 HydrophobicContact CG2-CG2 4.16Å; V225-V266 PolarHBondContact N-O 3.25Å; V225-Y267 HydrophobicContact CG2-CD2 3.68Å; V225-Y267 HydrophobicContact CG2-CE2 4.48Å; V225-Y267 HydrophobicContact CG2-CG 4.49Å; V225-N268 PolarHBondContact O-N 2.82Å; V225-N268 PolarHBondContact O-ND2 2.76Å
226	V	98.9	Very high	98.7	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	111.5	164	-178.8	0	0	0	0	108	A101 V102 A105 V197 A198 V200 N268 I270 I284	A101-V226 HydrophobicContact CB-CG1 3.91Å; A101-V226 HydrophobicContact CB-CG2 4.28Å; V102-V226 HydrophobicContact CG2-CG2 4.19Å; A105-V226 HydrophobicContact CB-CG2 3.73Å; V197-V226 HydrophobicContact CG1-CG2 4.41Å; A198-V226 PolarHBondContact O-N 3.25Å; V200-V226 PolarHBondContact N-O 2.92Å; V226-N268 HydrophobicContact CG2-CB 4.48Å; V226-I270 HydrophobicContact CG1-CD1 3.54Å; V226-I270 HydrophobicContact CG1-CG1 3.79Å; V226-I284 HydrophobicContact CG1-CG2 4.35Å
227	V	98.9	Very high	98.7	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.2	-177	-175.7	0	0	0	0	110.4	V200 I211 V215 V225 Y267 N268 V269 I270	V200-V227 HydrophobicContact CB-CG2 4.07Å; V200-V227 HydrophobicContact CG1-CG1 4.38Å; V200-V227 HydrophobicContact CG1-CG2 4.21Å; V200-V227 CarbonylContact O-C 3.59Å; V200-V227 VanDerWaalsContact O-CA 3.25Å; V200-V227 WeakPolarHBondContact O-CA 3.47Å; I211-V227 HydrophobicContact CD1-CG1 4.24Å; I211-V227 HydrophobicContact CG1-CG1 4.33Å; I211-V227 HydrophobicContact CG2-CG1 4.41Å; I211-V227 HydrophobicContact CG2-CG2 4.4Å; V215-V227 HydrophobicContact CG2-CG2 3.99Å; V225-V227 HydrophobicContact CG2-CG2 4.16Å; V227-Y267 HydrophobicContact CG2-CD2 4.24Å; V227-Y267 HydrophobicContact CG2-CE2 3.67Å; V227-N268 WeakPolarHBondContact CB-O 3.4Å; V227-N268 PolarHBondContact N-O 2.75Å; V227-V269 HydrophobicContact CB-CG2 4.45Å; V227-V269 WeakPolarHBondContact O-CA 3.32Å; V227-I270 WeakPolarHBondContact O-CG1 3.45Å; V227-I270 PolarHBondContact O-N 2.83Å
228	K	98.8	Very high	98.5	Very high	12 Å²	12	4.8 Å²	4.8	5%	0.052	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	102.4	163.2	-168.3	-86.7	159.3	-167	0	108.2	V200 I201 T202 E231 I270 C272 V280 I284	V200-K228 PolarHBondContact O-N 3.24Å; I201-K228 WeakPolarHBondContact CA-O 3.42Å; I201-K228 HydrophobicContact CG1-CB 4.22Å; T202-K228 PolarHBondContact N-O 3.02Å; K228-E231 IonicContact NZ-OE2 3.82Å; K228-E231 PolarHBondContact NZ-OE2 3.37Å; K228-E231 VanDerWaalsContact NZ-OE2 3.08Å; K228-I270 HydrophobicContact CB-CG1 4.47Å; K228-C272 WeakPolarHBondContact CE-SG 3.28Å; K228-C272 PolarHBondContact NZ-O 2.86Å; K228-V280 HydrophobicContact CG-CG1 4.1Å; K228-I284 HydrophobicContact CB-CD1 4.15Å
229	P	98.7	Very high	98.3	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.013	3%	0.026	C	C	.	.			trans	-74.9	165.8	177.1	32.4	-35.3	0	0	0	111.5	P234 A237 V269 P271	P229-P234 HydrophobicContact CG-CB 4.23Å; P229-A237 HydrophobicContact CB-CB 3.68Å; P229-A237 HydrophobicContact CG-CB 3.91Å; P229-V269 HydrophobicContact CG-CG1 4.01Å; P229-P271 HydrophobicContact CG-CB 4.4Å; P229-P271 HydrophobicContact CG-CG 4.44Å
230	A	98.6	Very high	98.1	Very high	8 Å²	8	4.9 Å²	4.9	7%	0.066	3%	0.026	C	C	.	.			trans	-62.9	142.2	168.6	0	0	0	0	0	110.6	T202 W204 D232 T233	T202-A230 PolarHBondContact O-N 3.23Å; T202-A230 VanDerWaalsContact O-N 3.15Å; W204-A230 HydrophobicContact CB-CB 3.73Å; A230-D232 PolarHBondContact O-N 3.44Å; A230-T233 CarbonylContact O-C 3.52Å; A230-T233 PolarHBondContact O-N 2.89Å
231	E	98.2	Very high	97.8	Very high	36 Å²	36	4.9 Å²	4.9	17%	0.168	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.3	179.3	60.1	-87.8	-165.4	0	0	113.6	F76 K228 T233 C272 R274	F76-E231 HydrophobicContact CE2-CB 4.07Å; F76-E231 VanDerWaalsContact CE2-O 3.29Å; F76-E231 WeakPolarHBondContact CE2-O 3.42Å; F76-E231 HydrophobicContact CZ-CB 4.38Å; K228-E231 IonicContact NZ-OE2 3.82Å; K228-E231 PolarHBondContact NZ-OE2 3.37Å; K228-E231 VanDerWaalsContact NZ-OE2 3.08Å; E231-T233 VanDerWaalsContact C-N 3.33Å; E231-C272 WeakPolarHBondContact CB-O 3.21Å; E231-R274 HydrophobicContact CG-CG 3.85Å; E231-R274 WeakPolarHBondContact OE1-CG 3.12Å; E231-R274 IonicContact OE1-CZ 2.75Å; E231-R274 IonicContact OE1-NE 3.38Å; E231-R274 PolarHBondContact OE1-NE 3.3Å
232	D	98.4	Very high	97.1	Very high	27 Å²	27	5.1 Å²	5.1	14%	0.144	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-26.9	177.2	-63.2	-62.2	0	0	0	111.7	W204 A230 R274 I397	W204-D232 HydrophobicContact CB-CB 4.09Å; A230-D232 PolarHBondContact O-N 3.44Å; D232-R274 IonicContact OD1-CZ 2.61Å; D232-R274 IonicContact OD1-NH1 2.65Å; D232-R274 PolarHBondContact OD1-NH1 3.44Å; D232-R274 IonicContact OD1-NH2 3.87Å; D232-R274 PolarHBondContact OD1-NH2 2.83Å; D232-R274 IonicContact OD2-CZ 3.8Å; D232-R274 IonicContact OD2-NH2 2.9Å; D232-R274 PolarHBondContact OD2-NH2 3.5Å; D232-I397 HydrophobicContact CB-CD1 4.02Å; D232-I397 HydrophobicContact CB-CG1 3.97Å
233	T	98.6	Very high	96	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.012	3%	0.028	C	C	.	.	S	Bend	trans	-140.9	53.7	-171.1	56.9	0	0	0	0	114.1	E145 W204 P207 A230 E231 I397	E145-T233 HydrophobicContact CB-CG2 4.01Å; E145-T233 VanDerWaalsContact CD-C 3.47Å; E145-T233 VanDerWaalsContact CD-CB 3.45Å; E145-T233 HydrophobicContact CG-CG2 3.64Å; E145-T233 WeakPolarHBondContact OE2-CA 3.45Å; W204-T233 WeakPolarHBondContact CA-OG1 3.44Å; W204-T233 HydrophobicContact CB-CG2 3.91Å; W204-T233 WeakPolarHBondContact CB-OG1 3.33Å; P207-T233 HydrophobicContact CB-CG2 4.4Å; P207-T233 WeakPolarHBondContact CB-OG1 3.46Å; A230-T233 CarbonylContact O-C 3.52Å; A230-T233 PolarHBondContact O-N 2.89Å; E231-T233 VanDerWaalsContact C-N 3.33Å; T233-I397 HydrophobicContact CG2-CD1 4.42Å
234	P	98.5	Very high	94.7	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.006	3%	0.029	C	C	.	.	H	α-helix	trans	-75.7	-21.1	-176.6	32.9	-37.5	0	0	0	113.5	F76 V78 V90 P229 S236 A237 L238 P271	F76-P234 HydrophobicContact CE2-CG 4.21Å; F76-P234 HydrophobicContact CZ-CB 4.4Å; F76-P234 HydrophobicContact CZ-CG 4.09Å; V78-P234 HydrophobicContact CG2-CG 3.62Å; V90-P234 HydrophobicContact CB-CG 4.37Å; V90-P234 HydrophobicContact CG1-CB 4.25Å; V90-P234 HydrophobicContact CG1-CG 4.2Å; V90-P234 HydrophobicContact CG2-CG 3.9Å; P229-P234 HydrophobicContact CG-CB 4.23Å; P234-S236 PolarHBondContact O-N 2.91Å; P234-A237 WeakPolarHBondContact O-CB 2.93Å; P234-A237 PolarHBondContact O-N 3.02Å; P234-L238 WeakPolarHBondContact O-CG 3.23Å; P234-L238 PolarHBondContact O-N 3.2Å; P234-P271 HydrophobicContact CB-CB 4.13Å; P234-P271 HydrophobicContact CB-CG 4.5Å
235	F	98.4	Very high	93.2	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.018	4%	0.036	C	C	.	.	H	α-helix	trans	-67.9	-36.1	-170.7	-61.9	-62.5	0	0	0	112.2	L59 R60 T61 V78 L87 V90 I141 E145 A237 L238 A239	L59-F235 HydrophobicContact CD1-CB 4.01Å; L59-F235 HydrophobicContact CD1-CD1 3.57Å; L59-F235 HydrophobicContact CD1-CD2 4.17Å; L59-F235 HydrophobicContact CD1-CE1 4Å; L59-F235 HydrophobicContact CD1-CG 3.66Å; L59-F235 HydrophobicContact CD1-CZ 4.48Å; R60-F235 VanDerWaalsContact O-CD1 3.25Å; R60-F235 WeakPolarHBondContact O-CD1 3.3Å; R60-F235 WeakPolarHBondContact O-CE1 3.21Å; T61-F235 HydrophobicContact CG2-CE1 4.48Å; V78-F235 HydrophobicContact CB-CE2 3.58Å; V78-F235 HydrophobicContact CB-CZ 3.93Å; V78-F235 HydrophobicContact CG1-CD2 4.14Å; V78-F235 HydrophobicContact CG1-CE2 3.55Å; V78-F235 HydrophobicContact CG1-CZ 4.39Å; V78-F235 HydrophobicContact CG2-CE2 4Å; V78-F235 HydrophobicContact CG2-CZ 4.08Å; L87-F235 HydrophobicContact CB-CE2 3.67Å; L87-F235 HydrophobicContact CB-CZ 4.21Å; L87-F235 HydrophobicContact CD1-CE2 4.21Å; V90-F235 HydrophobicContact CG2-CD1 4.19Å; V90-F235 HydrophobicContact CG2-CE1 3.41Å; V90-F235 VanDerWaalsContact CG2-CE1 3.41Å; V90-F235 HydrophobicContact CG2-CZ 3.65Å; I141-F235 HydrophobicContact CG2-CB 3.63Å; E145-F235 HydrophobicContact CB-CD2 4.36Å; E145-F235 WeakPolarHBondContact OE2-CA 2.98Å; E145-F235 WeakPolarHBondContact OE2-CB 3.48Å; E145-F235 WeakPolarHBondContact OE2-CD2 3.25Å; E145-F235 PolarHBondContact OE2-N 3.46Å; F235-A237 VanDerWaalsContact C-N 3.28Å; F235-A237 PolarHBondContact O-N 3.39Å; F235-L238 PolarHBondContact O-N 2.94Å; F235-A239 WeakPolarHBondContact O-CB 3.38Å; F235-A239 PolarHBondContact O-N 3.2Å
236	S	98.2	Very high	91.3	Very high	6 Å²	6	7.8 Å²	7.8	4%	0.042	5%	0.045	C	C	.	.	H	α-helix	trans	-58.7	-40.7	175.2	-66.3	0	0	0	0	112.4	I142 E145 P234 L238 A239 L240	I142-S236 WeakPolarHBondContact CG1-OG 3.36Å; E145-S236 WeakPolarHBondContact OE1-CB 3.35Å; E145-S236 PolarHBondContact OE1-N 3.27Å; E145-S236 PolarHBondContact OE1-OG 2.96Å; P234-S236 PolarHBondContact O-N 2.91Å; S236-L238 VanDerWaalsContact C-N 3.35Å; S236-L238 PolarHBondContact O-N 3.12Å; S236-A239 PolarHBondContact O-N 2.86Å; S236-L240 WeakPolarHBondContact O-CG 3.13Å; S236-L240 PolarHBondContact O-N 3.37Å
237	A	97.8	Very high	89.2	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.5	-39.4	178.7	0	0	0	0	0	112.2	I211 P229 P234 F235 A241 Y267 V269	I211-A237 HydrophobicContact CD1-CB 3.35Å; P229-A237 HydrophobicContact CB-CB 3.68Å; P229-A237 HydrophobicContact CG-CB 3.91Å; P234-A237 WeakPolarHBondContact O-CB 2.93Å; P234-A237 PolarHBondContact O-N 3.02Å; F235-A237 VanDerWaalsContact C-N 3.28Å; F235-A237 PolarHBondContact O-N 3.39Å; A237-A241 PolarHBondContact O-N 3.2Å; A237-Y267 PolarHBondContact O-OH 3.16Å; A237-V269 HydrophobicContact CB-CG1 3.8Å
238	L	96.4	Very high	86.7	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-73.3	-38.9	177.3	-59.7	177.9	0	0	0	111.3	R60 D62 W69 V90 P234 F235 S236 L240 A241 E242 V269 P271	R60-L238 HydrophobicContact CB-CB 3.98Å; R60-L238 HydrophobicContact CB-CD1 4.37Å; R60-L238 WeakPolarHBondContact O-CD1 3.34Å; D62-L238 WeakPolarHBondContact O-CD2 3.5Å; W69-L238 HydrophobicContact CH2-CB 4.14Å; W69-L238 WeakPolarHBondContact CH2-O 3.29Å; W69-L238 HydrophobicContact CZ3-CB 4.18Å; W69-L238 HydrophobicContact CZ3-CD2 3.97Å; V90-L238 HydrophobicContact CG1-CD1 4.25Å; P234-L238 WeakPolarHBondContact O-CG 3.23Å; P234-L238 PolarHBondContact O-N 3.2Å; F235-L238 PolarHBondContact O-N 2.94Å; S236-L238 VanDerWaalsContact C-N 3.35Å; S236-L238 PolarHBondContact O-N 3.12Å; L238-L240 VanDerWaalsContact C-N 3.29Å; L238-L240 PolarHBondContact O-N 3.28Å; L238-A241 CarbonylContact O-C 3.59Å; L238-A241 VanDerWaalsContact O-CA 3.32Å; L238-A241 WeakPolarHBondContact O-CA 3.39Å; L238-A241 WeakPolarHBondContact O-CB 3.37Å; L238-A241 PolarHBondContact O-N 3.03Å; L238-E242 PolarHBondContact O-N 2.94Å; L238-V269 HydrophobicContact CD2-CB 3.94Å; L238-V269 HydrophobicContact CD2-CG1 3.77Å; L238-P271 HydrophobicContact CD1-CG 4.15Å; L238-P271 HydrophobicContact CD2-CG 3.8Å; L238-P271 HydrophobicContact CG-CG 4.24Å
239	A	94.1	Very high	84.2	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-39.9	174.2	0	0	0	0	0	111.1	L138 I141 F235 S236 A241 E242 V243	L138-A239 HydrophobicContact CD2-CB 3.7Å; I141-A239 HydrophobicContact CD1-CB 3.98Å; F235-A239 WeakPolarHBondContact O-CB 3.38Å; F235-A239 PolarHBondContact O-N 3.2Å; S236-A239 PolarHBondContact O-N 2.86Å; A239-A241 PolarHBondContact O-N 3.31Å; A239-E242 PolarHBondContact O-N 3.42Å; A239-V243 WeakPolarHBondContact O-CB 3.49Å; A239-V243 WeakPolarHBondContact O-CG2 3.43Å; A239-V243 PolarHBondContact O-N 3.49Å
240	L	93.8	Very high	81.5	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-32.4	170.5	-73.5	173.3	0	0	0	112.6	W127 M131 I211 T212 S236 L238 N244	W127-L240 HydrophobicContact CZ2-CB 4.15Å; W127-L240 VanDerWaalsContact CZ2-O 3.26Å; W127-L240 WeakPolarHBondContact CZ2-O 3.26Å; W127-L240 PolarHBondContact NE1-O 3.15Å; M131-L240 HydrophobicContact CE-CD2 3.63Å; M131-L240 HydrophobicContact CG-CD2 4.22Å; M131-L240 HydrophobicContact SD-CD2 3.52Å; M131-L240 VanDerWaalsContact SD-CD2 3.52Å; I211-L240 HydrophobicContact CB-CD1 4.03Å; I211-L240 HydrophobicContact CD1-CD1 4.28Å; I211-L240 HydrophobicContact CG2-CD1 3.96Å; T212-L240 HydrophobicContact CG2-CD1 3.94Å; T212-L240 HydrophobicContact CG2-CD2 3.96Å; S236-L240 WeakPolarHBondContact O-CG 3.13Å; S236-L240 PolarHBondContact O-N 3.37Å; L238-L240 VanDerWaalsContact C-N 3.29Å; L238-L240 PolarHBondContact O-N 3.28Å; L240-N244 PolarHBondContact O-N 3.39Å; L240-N244 PolarHBondContact O-ND2 3.02Å; L240-N244 VanDerWaalsContact O-ND2 3.14Å
241	A	92.2	Very high	78.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-47.3	173.3	0	0	0	0	0	111.6	F64 W69 A237 L238 A239 N244 Q245 Y267 V269	F64-A241 HydrophobicContact CB-CB 3.88Å; F64-A241 HydrophobicContact CD1-CB 3.84Å; F64-A241 HydrophobicContact CD2-CB 4.2Å; F64-A241 HydrophobicContact CE1-CB 4.4Å; F64-A241 HydrophobicContact CG-CB 3.71Å; W69-A241 HydrophobicContact CH2-CB 3.74Å; W69-A241 HydrophobicContact CZ2-CB 4.13Å; A237-A241 PolarHBondContact O-N 3.2Å; L238-A241 CarbonylContact O-C 3.59Å; L238-A241 VanDerWaalsContact O-CA 3.32Å; L238-A241 WeakPolarHBondContact O-CA 3.39Å; L238-A241 WeakPolarHBondContact O-CB 3.37Å; L238-A241 PolarHBondContact O-N 3.03Å; A239-A241 PolarHBondContact O-N 3.31Å; A241-N244 WeakPolarHBondContact CA-ND2 3.37Å; A241-N244 PolarHBondContact O-N 2.99Å; A241-N244 PolarHBondContact O-ND2 3.5Å; A241-N244 PolarHBondContact O-OD1 3.3Å; A241-N244 VanDerWaalsContact O-OD1 3.08Å; A241-Q245 PolarHBondContact O-N 3.35Å; A241-Y267 HydrophobicContact CB-CD1 4.1Å; A241-Y267 HydrophobicContact CB-CE1 3.61Å; A241-V269 HydrophobicContact CB-CG2 4.33Å
242	E	85.4	Confident	75.9	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-50.9	178	-175.8	71.2	-175.3	0	0	111.8	A57 L58 R60 W69 L238 A239 N244 Q245 G246	A57-E242 HydrophobicContact CB-CG 4.44Å; A57-E242 VanDerWaalsContact O-CG 3.27Å; A57-E242 WeakPolarHBondContact O-CG 3.48Å; L58-E242 HydrophobicContact CD2-CB 4.41Å; L58-E242 HydrophobicContact CD2-CG 4.22Å; R60-E242 IonicContact CZ-OE1 3.22Å; R60-E242 IonicContact CZ-OE2 3.97Å; R60-E242 VanDerWaalsContact CZ-OE2 3.25Å; R60-E242 IonicContact NE-OE1 3.7Å; R60-E242 IonicContact NE-OE2 2.88Å; R60-E242 PolarHBondContact NE-OE2 3.4Å; R60-E242 IonicContact NH2-OE1 3.82Å; R60-E242 PolarHBondContact NH2-OE1 3.13Å; R60-E242 IonicContact NH2-OE2 3.84Å; R60-E242 PolarHBondContact NH2-OE2 3.01Å; W69-E242 HydrophobicContact CZ2-CB 4.06Å; W69-E242 VanDerWaalsContact CZ2-OE2 3.27Å; W69-E242 WeakPolarHBondContact CZ2-OE2 3.33Å; W69-E242 PolarHBondContact NE1-OE2 3.01Å; W69-E242 VanDerWaalsContact NE1-OE2 3.17Å; L238-E242 PolarHBondContact O-N 2.94Å; A239-E242 PolarHBondContact O-N 3.42Å; E242-N244 PolarHBondContact O-N 3.38Å; E242-N244 VanDerWaalsContact O-N 3.12Å; E242-Q245 PolarHBondContact O-N 3.46Å; E242-G246 PolarHBondContact O-N 2.98Å
243	V	75.2	Confident	73.3	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.024	21%	0.214	C	C	.	.	H	α-helix	trans	-55.6	-35.5	-178.2	171.9	0	0	0	0	110.7	L58 L130 M131 L138 A239 G246	L58-V243 HydrophobicContact CD2-CG2 3.48Å; L58-V243 VanDerWaalsContact CD2-CG2 3.48Å; L130-V243 HydrophobicContact CB-CG1 3.48Å; L130-V243 VanDerWaalsContact CB-CG1 3.48Å; L130-V243 WeakPolarHBondContact CD1-O 2.99Å; M131-V243 HydrophobicContact CG-CG1 3.93Å; L138-V243 HydrophobicContact CD1-CG2 4.37Å; L138-V243 HydrophobicContact CD2-CG2 4.11Å; A239-V243 WeakPolarHBondContact O-CB 3.49Å; A239-V243 WeakPolarHBondContact O-CG2 3.43Å; A239-V243 PolarHBondContact O-N 3.49Å; V243-G246 PolarHBondContact O-N 3.35Å
244	N	71.8	Confident	70.2	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-75.5	-23.9	179.2	80.7	49.5	0	0	0	114.5	W127 L240 A241 E242 G246 G261 I262 Y267	W127-N244 HydrophobicContact CD2-CB 3.68Å; W127-N244 VanDerWaalsContact CE2-CB 3.49Å; W127-N244 HydrophobicContact CE3-CB 4.24Å; W127-N244 HydrophobicContact CG-CB 3.92Å; W127-N244 HydrophobicContact CH2-CB 4.4Å; W127-N244 HydrophobicContact CZ2-CB 3.88Å; L240-N244 PolarHBondContact O-N 3.39Å; L240-N244 PolarHBondContact O-ND2 3.02Å; L240-N244 VanDerWaalsContact O-ND2 3.14Å; A241-N244 WeakPolarHBondContact CA-ND2 3.37Å; A241-N244 PolarHBondContact O-N 2.99Å; A241-N244 PolarHBondContact O-ND2 3.5Å; A241-N244 PolarHBondContact O-OD1 3.3Å; A241-N244 VanDerWaalsContact O-OD1 3.08Å; E242-N244 PolarHBondContact O-N 3.38Å; E242-N244 VanDerWaalsContact O-N 3.12Å; N244-G246 PolarHBondContact O-N 3.19Å; N244-G261 WeakPolarHBondContact O-CA 3.32Å; N244-I262 HydrophobicContact CB-CB 4.44Å; N244-I262 HydrophobicContact CB-CG1 4.14Å; N244-I262 PolarHBondContact O-N 3.24Å; N244-Y267 VanDerWaalsContact ND2-CD1 3.32Å; N244-Y267 WeakPolarHBondContact ND2-CD1 3.33Å
245	Q	66.9	Low	67.2	Low	31 Å²	31	51.3 Å²	51.3	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-73.6	-19.2	175.8	-69.4	-59.8	-68.6	0	0	110.8	F64 A241 E242 L248 I262	F64-Q245 HydrophobicContact CE2-CG 3.99Å; F64-Q245 HydrophobicContact CZ-CG 3.76Å; A241-Q245 PolarHBondContact O-N 3.35Å; E242-Q245 PolarHBondContact O-N 3.46Å; Q245-L248 HydrophobicContact CB-CD1 3.86Å; Q245-L248 HydrophobicContact CB-CG 4.36Å; Q245-L248 VanDerWaalsContact O-CD2 3.32Å; Q245-L248 WeakPolarHBondContact O-CD2 3.5Å; Q245-L248 WeakPolarHBondContact O-CG 3.15Å; Q245-I262 PolarHBondContact NE2-O 3.02Å
246	G	58.5	Low	64.5	Low	18 Å²	18	53.4 Å²	53.4	19%	0.186	29%	0.288	C	S	.	.			trans	71.5	155.8	-162	0	0	0	0	0	109.2	E242 V243 N244 L248	E242-G246 PolarHBondContact O-N 2.98Å; V243-G246 PolarHBondContact O-N 3.35Å; N244-G246 PolarHBondContact O-N 3.19Å; G246-L248 WeakPolarHBondContact O-CG 3.25Å; G246-L248 PolarHBondContact O-N 3.26Å
247	F	55.2	Low	61.6	Low	77 Å²	77	57.9 Å²	57.9	34%	0.338	33%	0.325	S	S	.	.			trans	-66.7	83.3	172.5	-65.4	-79.6	0	0	0	108.8	S55 A57 L58 N134 L249	S55-F247 WeakPolarHBondContact OG-CE1 3.35Å; A57-F247 HydrophobicContact CB-CD1 3.91Å; A57-F247 HydrophobicContact CB-CE1 3.86Å; L58-F247 HydrophobicContact CD2-CE1 4.3Å; L58-F247 HydrophobicContact CD2-CZ 4.08Å; L58-F247 HydrophobicContact CG-CE1 4.3Å; L58-F247 HydrophobicContact CG-CZ 4.19Å; N134-F247 WeakPolarHBondContact OD1-CE2 3.37Å; N134-F247 WeakPolarHBondContact OD1-CZ 3.43Å; F247-L249 PolarHBondContact O-N 2.81Å
248	L	47.6	Very low	58.6	Low	67 Å²	67	62.4 Å²	62.4	35%	0.351	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	11.9	-173.1	-71	175.6	0	0	0	113.4	Q245 G246 L256 A260	Q245-L248 HydrophobicContact CB-CD1 3.86Å; Q245-L248 HydrophobicContact CB-CG 4.36Å; Q245-L248 VanDerWaalsContact O-CD2 3.32Å; Q245-L248 WeakPolarHBondContact O-CD2 3.5Å; Q245-L248 WeakPolarHBondContact O-CG 3.15Å; G246-L248 WeakPolarHBondContact O-CG 3.25Å; G246-L248 PolarHBondContact O-N 3.26Å; L248-L256 HydrophobicContact CD2-CD1 4.18Å; L248-L256 HydrophobicContact CD2-CD2 3.6Å; L248-L256 HydrophobicContact CD2-CG 4.42Å; L248-A260 HydrophobicContact CD2-CB 4.1Å
249	L	45	Very low	56	Low	129 Å²	129	68.1 Å²	68.1	68%	0.675	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-16.2	-171.3	-63.6	177.6	0	0	0	113.9	F247	F247-L249 PolarHBondContact O-N 2.81Å
250	D	42	Very low	53.9	Low	150 Å²	150	70.4 Å²	70.4	80%	0.802	40%	0.402	S	S	*	.	S	Bend	trans	-126.8	9.6	-170.8	-64.2	-39.6	0	0	0	116.5
251	L	40.9	Very low	52.8	Low	131 Å²	131	71.3 Å²	71.3	69%	0.686	41%	0.412	S	S	*	.	S	Bend	trans	-125.8	152.7	-177.3	-70.6	173	0	0	0	114.8	L256	L251-L256 HydrophobicContact CB-CD2 4.46Å
252	D	39.7	Very low	52.6	Low	91 Å²	91	71.6 Å²	71.6	49%	0.487	41%	0.414	S	S	.	.			trans	-56	122.7	-173.5	-171.6	-27.9	0	0	0	113.5	L254 L255 L256	D252-L254 PolarHBondContact O-N 2.94Å; D252-L254 PolarHBondContact OD1-N 3.21Å; D252-L254 VanDerWaalsContact OD1-N 3.1Å; D252-L255 HydrophobicContact CB-CD1 4.33Å; D252-L255 PolarHBondContact O-N 3.43Å; D252-L256 WeakPolarHBondContact O-CG 3.42Å; D252-L256 PolarHBondContact O-N 3.4Å
253	P	42.9	Very low	53	Low	102 Å²	102	73.8 Å²	73.8	66%	0.662	43%	0.429	S	S	*	.	H	α-helix	trans	-49.6	-29.5	-179.7	-27.7	33	0	0	0	116.7
254	L	34.3	Very low	53.9	Low	153 Å²	153	77.1 Å²	77.1	80%	0.801	45%	0.452	S	S	*	.	H	α-helix	trans	-82.1	-23.3	-177.4	-87.6	146	0	0	0	113.5	D252	D252-L254 PolarHBondContact O-N 2.94Å; D252-L254 PolarHBondContact OD1-N 3.21Å; D252-L254 VanDerWaalsContact OD1-N 3.1Å
255	L	35.8	Very low	55.1	Low	102 Å²	102	77 Å²	77	53%	0.534	45%	0.452	S	S	.	.	H	α-helix	trans	-79.6	-26	170.2	-90.3	145.1	0	0	0	112	D252	D252-L255 HydrophobicContact CB-CD1 4.33Å; D252-L255 PolarHBondContact O-N 3.43Å
256	L	41.8	Very low	56.6	Low	49 Å²	49	75.6 Å²	75.6	26%	0.257	45%	0.445	S	S	.	.	H	α-helix	trans	-67.3	-35.6	-177.2	-66.6	179.1	0	0	0	113.9	L248 L251 D252 S258 A260	L248-L256 HydrophobicContact CD2-CD1 4.18Å; L248-L256 HydrophobicContact CD2-CD2 3.6Å; L248-L256 HydrophobicContact CD2-CG 4.42Å; L251-L256 HydrophobicContact CB-CD2 4.46Å; D252-L256 WeakPolarHBondContact O-CG 3.42Å; D252-L256 PolarHBondContact O-N 3.4Å; L256-S258 VanDerWaalsContact C-N 3.27Å; L256-S258 PolarHBondContact O-N 3.28Å; L256-A260 HydrophobicContact CD2-CB 4.29Å; L256-A260 PolarHBondContact O-N 2.89Å
257	A	36.8	Very low	58.5	Low	100 Å²	100	74.8 Å²	74.8	83%	0.826	44%	0.436	S	S	*	.	H	α-helix	trans	-72.1	-13.9	-172.5	0	0	0	0	0	115
258	S	35.4	Very low	60.5	Low	94 Å²	94	71.1 Å²	71.1	66%	0.657	42%	0.42	S	S	*	.	H	α-helix	trans	-114.4	-6.7	-179.5	62.8	0	0	0	0	114.4	L256	L256-S258 VanDerWaalsContact C-N 3.27Å; L256-S258 PolarHBondContact O-N 3.28Å
259	Q	40.6	Very low	63	Low	120 Å²	120	67.9 Å²	67.9	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-138.5	-11	-168.3	-63	-173.3	13.3	0	0	117.1	K126	K126-Q259 PolarHBondContact NZ-O 3.35Å
260	A	49.6	Very low	65.5	Low	48 Å²	48	61.8 Å²	61.8	40%	0.397	37%	0.371	S	S	.	.			trans	-104.6	122.5	-172.3	0	0	0	0	0	114.6	L248 L256	L248-A260 HydrophobicContact CD2-CB 4.1Å; L256-A260 HydrophobicContact CD2-CB 4.29Å; L256-A260 PolarHBondContact O-N 2.89Å
261	G	71.8	Confident	68.2	Low	21 Å²	21	54.7 Å²	54.7	22%	0.216	33%	0.334	C	S	.	.	S	Bend	trans	73.9	171	150.9	0	0	0	0	0	119.5	N244	N244-G261 WeakPolarHBondContact O-CA 3.32Å
262	I	88.3	Confident	71	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.026	30%	0.301	C	S	.	.	S	Bend	trans	-68.9	130.5	172.8	-67.4	-63.1	0	0	0	108.9	L123 W127 L219 N244 Q245 V266	L123-I262 HydrophobicContact CB-CD1 4.07Å; W127-I262 HydrophobicContact CD2-CG1 4.35Å; W127-I262 HydrophobicContact CE3-CD1 4.02Å; W127-I262 HydrophobicContact CE3-CG1 3.6Å; W127-I262 HydrophobicContact CZ3-CD1 4.42Å; W127-I262 HydrophobicContact CZ3-CG1 3.89Å; L219-I262 HydrophobicContact CD2-CD1 3.91Å; L219-I262 HydrophobicContact CD2-CG1 4.41Å; L219-I262 HydrophobicContact CD2-CG2 4.27Å; N244-I262 HydrophobicContact CB-CB 4.44Å; N244-I262 HydrophobicContact CB-CG1 4.14Å; N244-I262 PolarHBondContact O-N 3.24Å; Q245-I262 PolarHBondContact NE2-O 3.02Å; I262-V266 HydrophobicContact CG2-CB 3.57Å; I262-V266 HydrophobicContact CG2-CG1 3.61Å
263	P	93.6	Very high	73.8	Confident	55 Å²	55	44.9 Å²	44.9	36%	0.357	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-57.6	148.1	-176.9	-27.1	35	0	0	0	113.8	W112 G265 V266	W112-P263 HydrophobicContact CE3-CG 3.92Å; W112-P263 HydrophobicContact CZ3-CG 3.75Å; P263-G265 PolarHBondContact O-N 3.08Å; P263-V266 HydrophobicContact CB-CG2 3.93Å; P263-V266 HydrophobicContact CG-CG2 4.4Å; P263-V266 VanDerWaalsContact O-CB 3.31Å; P263-V266 WeakPolarHBondContact O-CB 3.49Å; P263-V266 WeakPolarHBondContact O-CG2 3.29Å; P263-V266 PolarHBondContact O-N 3.35Å
264	S	94.5	Very high	76.3	Confident	73 Å²	73	46.5 Å²	46.5	51%	0.51	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	128.9	179.5	-55.4	0	0	0	0	112.2	G66 A108 V266	G66-S264 WeakPolarHBondContact O-CB 3.48Å; A108-S264 WeakPolarHBondContact CB-O 3.48Å; S264-V266 VanDerWaalsContact C-N 3.31Å; S264-V266 PolarHBondContact O-N 2.79Å
265	G	95.4	Very high	79.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.01	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-7.8	179.9	0	0	0	0	0	114.9	A105 P263 N268	A105-G265 VanDerWaalsContact CA-O 3.3Å; A105-G265 WeakPolarHBondContact CA-O 3.24Å; P263-G265 PolarHBondContact O-N 3.08Å; G265-N268 PolarHBondContact O-ND2 3.25Å
266	V	98.4	Very high	82.3	Confident	1 Å²	1	44 Å²	44	1%	0.006	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-38.9	176.2	172.7	0	0	0	0	111.6	A108 W112 L219 T224 V225 I262 P263 S264	A108-V266 HydrophobicContact CB-CG2 4.19Å; W112-V266 HydrophobicContact CB-CG2 3.96Å; W112-V266 HydrophobicContact CD2-CG1 4.09Å; W112-V266 HydrophobicContact CD2-CG2 3.89Å; W112-V266 HydrophobicContact CE3-CG2 4.05Å; W112-V266 HydrophobicContact CG-CG1 4.25Å; W112-V266 HydrophobicContact CG-CG2 3.85Å; W112-V266 HydrophobicContact CZ2-CG1 4.37Å; L219-V266 HydrophobicContact CD1-CG1 3.89Å; L219-V266 HydrophobicContact CD2-CG1 3.9Å; L219-V266 HydrophobicContact CG-CG1 3.61Å; T224-V266 HydrophobicContact CG2-CB 4.19Å; T224-V266 HydrophobicContact CG2-CG1 4.21Å; T224-V266 HydrophobicContact CG2-CG2 4.02Å; V225-V266 PolarHBondContact N-O 3.25Å; I262-V266 HydrophobicContact CG2-CB 3.57Å; I262-V266 HydrophobicContact CG2-CG1 3.61Å; P263-V266 HydrophobicContact CB-CG2 3.93Å; P263-V266 HydrophobicContact CG-CG2 4.4Å; P263-V266 VanDerWaalsContact O-CB 3.31Å; P263-V266 WeakPolarHBondContact O-CB 3.49Å; P263-V266 WeakPolarHBondContact O-CG2 3.29Å; P263-V266 PolarHBondContact O-N 3.35Å; S264-V266 VanDerWaalsContact C-N 3.31Å; S264-V266 PolarHBondContact O-N 2.79Å
267	Y	98.4	Very high	85	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124	172.3	178.2	-105.6	0	0	0	109.5	F64 W127 I211 V215 V225 V227 A237 A241 N244 V269	F64-Y267 HydrophobicContact CD1-CD1 4.31Å; F64-Y267 WeakPolarHBondContact CD1-O 3.32Å; F64-Y267 WeakPolarHBondContact CE1-O 3.06Å; W127-Y267 HydrophobicContact CH2-CD1 4.21Å; W127-Y267 AromaticContact CH2-CD2 3.81Å; W127-Y267 HydrophobicContact CH2-CD2 3.81Å; W127-Y267 HydrophobicContact CH2-CE1 4.43Å; W127-Y267 HydrophobicContact CH2-CE2 4.06Å; W127-Y267 AromaticContact CH2-CG 3.88Å; W127-Y267 HydrophobicContact CH2-CG 3.88Å; W127-Y267 HydrophobicContact CZ2-CE1 4.49Å; I211-Y267 HydrophobicContact CG2-CE2 4.16Å; V215-Y267 HydrophobicContact CG1-CD2 3.77Å; V215-Y267 HydrophobicContact CG1-CE2 4.09Å; V215-Y267 HydrophobicContact CG2-CD2 4.35Å; V215-Y267 HydrophobicContact CG2-CE2 4.1Å; V225-Y267 HydrophobicContact CG2-CD2 3.68Å; V225-Y267 HydrophobicContact CG2-CE2 4.48Å; V225-Y267 HydrophobicContact CG2-CG 4.49Å; V227-Y267 HydrophobicContact CG2-CD2 4.24Å; V227-Y267 HydrophobicContact CG2-CE2 3.67Å; A237-Y267 PolarHBondContact O-OH 3.16Å; A241-Y267 HydrophobicContact CB-CD1 4.1Å; A241-Y267 HydrophobicContact CB-CE1 3.61Å; N244-Y267 VanDerWaalsContact ND2-CD1 3.32Å; N244-Y267 WeakPolarHBondContact ND2-CD1 3.33Å; Y267-V269 HydrophobicContact CD1-CG2 4.1Å; Y267-V269 HydrophobicContact CE1-CG2 3.28Å; Y267-V269 HydrophobicContact CE2-CG2 4.24Å; Y267-V269 WeakPolarHBondContact OH-CG2 3.45Å
268	N	98.6	Very high	87.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.1	178.6	-49.8	-91.4	0	0	0	109.3	F64 G66 A101 V225 V226 V227 G265	F64-N268 CarbonylContact O-C 3.6Å; F64-N268 WeakPolarHBondContact O-CA 3.19Å; G66-N268 PolarHBondContact N-OD1 2.87Å; A101-N268 HydrophobicContact CB-CB 4.39Å; V225-N268 PolarHBondContact O-N 2.82Å; V225-N268 PolarHBondContact O-ND2 2.76Å; V226-N268 HydrophobicContact CG2-CB 4.48Å; V227-N268 WeakPolarHBondContact CB-O 3.4Å; V227-N268 PolarHBondContact N-O 2.75Å; G265-N268 PolarHBondContact O-ND2 3.25Å
269	V	98.8	Very high	90.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.2	179.4	-166.7	0	0	0	0	109.5	S63 F64 V227 P229 A237 L238 A241 Y267 P271	S63-V269 WeakPolarHBondContact CB-O 3.38Å; F64-V269 HydrophobicContact CB-CB 4.38Å; F64-V269 PolarHBondContact N-O 3.49Å; F64-V269 PolarHBondContact O-N 2.76Å; V227-V269 HydrophobicContact CB-CG2 4.45Å; V227-V269 WeakPolarHBondContact O-CA 3.32Å; P229-V269 HydrophobicContact CG-CG1 4.01Å; A237-V269 HydrophobicContact CB-CG1 3.8Å; L238-V269 HydrophobicContact CD2-CB 3.94Å; L238-V269 HydrophobicContact CD2-CG1 3.77Å; A241-V269 HydrophobicContact CB-CG2 4.33Å; Y267-V269 HydrophobicContact CD1-CG2 4.1Å; Y267-V269 HydrophobicContact CE1-CG2 3.28Å; Y267-V269 HydrophobicContact CE2-CG2 4.24Å; Y267-V269 WeakPolarHBondContact OH-CG2 3.45Å; V269-P271 HydrophobicContact CG1-CG 4.4Å; V269-P271 WeakPolarHBondContact O-CD 3.23Å
270	I	98.8	Very high	93.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.			trans	-123	81.1	-179.1	48	166.4	0	0	0	110	V65 C93 A98 A101 V226 V227 K228 V280 I284	V65-I270 HydrophobicContact CG2-CG2 3.94Å; C93-I270 HydrophobicContact CB-CB 4.16Å; A98-I270 HydrophobicContact CB-CD1 3.94Å; A101-I270 HydrophobicContact CB-CG2 3.75Å; V226-I270 HydrophobicContact CG1-CD1 3.54Å; V226-I270 HydrophobicContact CG1-CG1 3.79Å; V227-I270 WeakPolarHBondContact O-CG1 3.45Å; V227-I270 PolarHBondContact O-N 2.83Å; K228-I270 HydrophobicContact CB-CG1 4.47Å; I270-V280 HydrophobicContact CD1-CG1 3.88Å; I270-I284 HydrophobicContact CD1-CG2 3.89Å
271	P	98.8	Very high	96	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.193	C	C	.	.			trans	-59.5	141.8	174.2	-17.6	30.9	0	0	0	110.6	F76 V90 A91 C93 P229 P234 L238 V269	F76-P271 HydrophobicContact CE1-CB 4.12Å; F76-P271 HydrophobicContact CZ-CB 4.19Å; V90-P271 HydrophobicContact CG1-CB 3.53Å; V90-P271 HydrophobicContact CG1-CG 3.82Å; A91-P271 CarbonylContact O-C 3.6Å; C93-P271 WeakPolarHBondContact CB-O 3.43Å; C93-P271 PolarHBondContact N-O 3.1Å; C93-P271 PolarHBondContact SG-O 3.05Å; P229-P271 HydrophobicContact CG-CB 4.4Å; P229-P271 HydrophobicContact CG-CG 4.44Å; P234-P271 HydrophobicContact CB-CB 4.13Å; P234-P271 HydrophobicContact CB-CG 4.5Å; L238-P271 HydrophobicContact CD1-CG 4.15Å; L238-P271 HydrophobicContact CD2-CG 3.8Å; L238-P271 HydrophobicContact CG-CG 4.24Å; V269-P271 HydrophobicContact CG1-CG 4.4Å; V269-P271 WeakPolarHBondContact O-CD 3.23Å
272	C	98.6	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.			trans	-154	152.2	168.9	75.2	0	0	0	0	110.9	D92 C93 K228 E231 N276 V280	D92-C272 VanDerWaalsContact OD1-CA 3.31Å; D92-C272 WeakPolarHBondContact OD1-CA 3.06Å; D92-C272 WeakPolarHBondContact OD1-CB 3.29Å; C93-C272 HydrophobicContact CB-CB 4.41Å; C93-C272 WeakPolarHBondContact O-CB 3.49Å; K228-C272 WeakPolarHBondContact CE-SG 3.28Å; K228-C272 PolarHBondContact NZ-O 2.86Å; E231-C272 WeakPolarHBondContact CB-O 3.21Å; C272-N276 HydrophobicContact CB-CB 3.85Å; C272-V280 HydrophobicContact CB-CG2 4.17Å
273	S	98.4	Very high	97.8	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.112	20%	0.202	C	C	.	.			trans	-72	169.9	-176.9	71.5	0	0	0	0	112.2	D92 K275 N276 A277	D92-S273 PolarHBondContact OD1-N 2.85Å; D92-S273 PolarHBondContact OD1-OG 3.13Å; D92-S273 WeakPolarHBondContact OD2-CB 3.31Å; D92-S273 PolarHBondContact OD2-OG 3.32Å; S273-K275 PolarHBondContact O-N 2.82Å; S273-K275 VanDerWaalsContact O-N 3.09Å; S273-K275 PolarHBondContact OG-N 2.9Å; S273-N276 PolarHBondContact O-N 3.16Å; S273-A277 PolarHBondContact O-N 2.87Å
274	R	96.8	Very high	98	Very high	136 Å²	136	37.8 Å²	37.8	51%	0.513	19%	0.185	S	C	.	.	H	α-helix	trans	-47.8	-37.8	170.8	-77.7	172.4	-176.7	108.8	1.8	113.2	E231 D232 N276	E231-R274 HydrophobicContact CG-CG 3.85Å; E231-R274 WeakPolarHBondContact OE1-CG 3.12Å; E231-R274 IonicContact OE1-CZ 2.75Å; E231-R274 IonicContact OE1-NE 3.38Å; E231-R274 PolarHBondContact OE1-NE 3.3Å; D232-R274 IonicContact OD1-CZ 2.61Å; D232-R274 IonicContact OD1-NH1 2.65Å; D232-R274 PolarHBondContact OD1-NH1 3.44Å; D232-R274 IonicContact OD1-NH2 3.87Å; D232-R274 PolarHBondContact OD1-NH2 2.83Å; D232-R274 IonicContact OD2-CZ 3.8Å; D232-R274 IonicContact OD2-NH2 2.9Å; D232-R274 PolarHBondContact OD2-NH2 3.5Å; R274-N276 VanDerWaalsContact C-N 3.33Å; R274-N276 PolarHBondContact O-N 3.04Å
275	K	97.6	Very high	98.2	Very high	169 Å²	169	34.3 Å²	34.3	74%	0.735	16%	0.161	S	C	*	.	H	α-helix	trans	-65.3	-38	-178	-176.4	-178.3	174.3	-174	0	111.9	S273	S273-K275 PolarHBondContact O-N 2.82Å; S273-K275 VanDerWaalsContact O-N 3.09Å; S273-K275 PolarHBondContact OG-N 2.9Å
276	N	98.2	Very high	98.4	Very high	35 Å²	35	36.6 Å²	36.6	19%	0.187	17%	0.174	C	C	.	.	H	α-helix	trans	-97.4	-7.9	-177.4	-72	-8.5	0	0	0	113	D92 C93 C272 S273 R274 K278 E279 V280	D92-N276 PolarHBondContact OD1-ND2 2.94Å; D92-N276 PolarHBondContact OD2-ND2 2.84Å; C93-N276 PolarHBondContact O-ND2 2.87Å; C272-N276 HydrophobicContact CB-CB 3.85Å; S273-N276 PolarHBondContact O-N 3.16Å; R274-N276 VanDerWaalsContact C-N 3.33Å; R274-N276 PolarHBondContact O-N 3.04Å; N276-K278 VanDerWaalsContact C-N 3.28Å; N276-K278 PolarHBondContact O-N 3.03Å; N276-E279 PolarHBondContact O-N 3.19Å; N276-V280 HydrophobicContact CB-CG2 4.27Å; N276-V280 VanDerWaalsContact O-CB 3.3Å; N276-V280 WeakPolarHBondContact O-CB 3.18Å; N276-V280 VanDerWaalsContact O-CG2 3.31Å; N276-V280 WeakPolarHBondContact O-CG2 3.19Å; N276-V280 PolarHBondContact O-N 2.81Å
277	A	97.9	Very high	98.4	Very high	31 Å²	31	37.5 Å²	37.5	26%	0.256	18%	0.179	S	C	.	.	H	α-helix	trans	-58	-39.2	-174.3	0	0	0	0	0	112.6	S273 G281	S273-A277 PolarHBondContact O-N 2.87Å; A277-G281 PolarHBondContact O-N 3.05Å
278	K	98.1	Very high	98.4	Very high	149 Å²	149	43 Å²	43	65%	0.648	22%	0.215	S	C	*	.	H	α-helix	trans	-66.9	-54.3	179.1	-177.3	-176.3	174.9	-172.7	0	110.9	N276 V280 G281 E282	N276-K278 VanDerWaalsContact C-N 3.28Å; N276-K278 PolarHBondContact O-N 3.03Å; K278-V280 PolarHBondContact O-N 2.99Å; K278-G281 PolarHBondContact O-N 3.37Å; K278-E282 WeakPolarHBondContact O-CB 3.22Å; K278-E282 PolarHBondContact O-N 3.39Å
279	E	98.4	Very high	98.5	Very high	87 Å²	87	45.3 Å²	45.3	41%	0.407	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-38.9	-174.9	-63.3	77.1	-171.8	0	0	111.7	V95 N276 A283	V95-E279 HydrophobicContact CG2-CB 3.82Å; N276-E279 PolarHBondContact O-N 3.19Å; E279-A283 VanDerWaalsContact O-CB 3.29Å; E279-A283 WeakPolarHBondContact O-CB 3.25Å; E279-A283 PolarHBondContact O-N 3.28Å
280	V	98.8	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-45.1	175.6	171.5	0	0	0	0	111.1	C93 A98 K228 I270 C272 N276 K278 E282 A283 I284	C93-V280 VanDerWaalsContact O-CG2 3.3Å; C93-V280 WeakPolarHBondContact O-CG2 3.34Å; A98-V280 HydrophobicContact CB-CG1 4.16Å; K228-V280 HydrophobicContact CG-CG1 4.1Å; I270-V280 HydrophobicContact CD1-CG1 3.88Å; C272-V280 HydrophobicContact CB-CG2 4.17Å; N276-V280 HydrophobicContact CB-CG2 4.27Å; N276-V280 VanDerWaalsContact O-CB 3.3Å; N276-V280 WeakPolarHBondContact O-CB 3.18Å; N276-V280 VanDerWaalsContact O-CG2 3.31Å; N276-V280 WeakPolarHBondContact O-CG2 3.19Å; N276-V280 PolarHBondContact O-N 2.81Å; K278-V280 PolarHBondContact O-N 2.99Å; V280-E282 PolarHBondContact O-N 2.85Å; V280-A283 PolarHBondContact O-N 3.02Å; V280-I284 WeakPolarHBondContact O-CG1 3.48Å; V280-I284 PolarHBondContact O-N 2.77Å
281	G	98.3	Very high	98.5	Very high	5 Å²	5	47.6 Å²	47.6	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-46.8	176.7	0	0	0	0	0	112	A277 K278 C285	A277-G281 PolarHBondContact O-N 3.05Å; K278-G281 PolarHBondContact O-N 3.37Å; G281-C285 WeakPolarHBondContact O-CB 3.19Å; G281-C285 PolarHBondContact O-N 3.23Å; G281-C285 PolarHBondContact O-SG 3.43Å
282	E	98.8	Very high	98.5	Very high	83 Å²	83	47.5 Å²	47.5	39%	0.388	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-47.6	173.4	179.4	171.8	-174	0	0	111.3	K278 V280 I284 C285 T286	K278-E282 WeakPolarHBondContact O-CB 3.22Å; K278-E282 PolarHBondContact O-N 3.39Å; V280-E282 PolarHBondContact O-N 2.85Å; E282-I284 PolarHBondContact O-N 2.65Å; E282-C285 PolarHBondContact O-N 2.96Å; E282-T286 HydrophobicContact CG-CG2 4.1Å; E282-T286 VanDerWaalsContact O-CB 3.32Å; E282-T286 WeakPolarHBondContact O-CB 3.45Å; E282-T286 VanDerWaalsContact O-CG2 3.29Å; E282-T286 WeakPolarHBondContact O-CG2 3.12Å; E282-T286 PolarHBondContact O-N 3.5Å; E282-T286 PolarHBondContact O-OG1 3.04Å
283	A	98.8	Very high	98.5	Very high	6 Å²	6	47.5 Å²	47.5	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-57.6	-51	-178.3	0	0	0	0	0	112.3	V95 A98 E279 V280 T286 D287	V95-A283 HydrophobicContact CG1-CB 4.01Å; V95-A283 HydrophobicContact CG2-CB 4.41Å; A98-A283 HydrophobicContact CB-CB 4.25Å; E279-A283 VanDerWaalsContact O-CB 3.29Å; E279-A283 WeakPolarHBondContact O-CB 3.25Å; E279-A283 PolarHBondContact O-N 3.28Å; V280-A283 PolarHBondContact O-N 3.02Å; A283-T286 PolarHBondContact O-N 2.89Å; A283-D287 WeakPolarHBondContact O-CB 3.47Å; A283-D287 PolarHBondContact O-N 2.91Å
284	I	98.8	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-74.9	-24.6	-178.8	67.4	-178.2	0	0	0	113	A98 V102 A199 I201 V226 K228 I270 V280 E282 V290	A98-I284 HydrophobicContact CB-CG2 3.86Å; V102-I284 HydrophobicContact CG2-CB 4.44Å; V102-I284 HydrophobicContact CG2-CG2 4.04Å; A199-I284 HydrophobicContact CB-CB 4.1Å; A199-I284 HydrophobicContact CB-CD1 4.05Å; A199-I284 HydrophobicContact CB-CG1 3.93Å; I201-I284 HydrophobicContact CD1-CD1 4.12Å; I201-I284 HydrophobicContact CG1-CD1 3.99Å; V226-I284 HydrophobicContact CG1-CG2 4.35Å; K228-I284 HydrophobicContact CB-CD1 4.15Å; I270-I284 HydrophobicContact CD1-CG2 3.89Å; V280-I284 WeakPolarHBondContact O-CG1 3.48Å; V280-I284 PolarHBondContact O-N 2.77Å; E282-I284 PolarHBondContact O-N 2.65Å; I284-V290 WeakPolarHBondContact O-CG2 3.39Å
285	C	98.6	Very high	98.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-86.8	-12.6	177.9	-65.4	0	0	0	0	113.4	G281 E282 I293 L305 H308 K314	G281-C285 WeakPolarHBondContact O-CB 3.19Å; G281-C285 PolarHBondContact O-N 3.23Å; G281-C285 PolarHBondContact O-SG 3.43Å; E282-C285 PolarHBondContact O-N 2.96Å; C285-I293 HydrophobicContact CB-CD1 3.64Å; C285-I293 HydrophobicContact CB-CG1 4.24Å; C285-L305 HydrophobicContact CB-CD2 4.49Å; C285-H308 HydrophobicContact CB-CB 3.96Å; C285-K314 WeakPolarHBondContact O-CD 3.27Å; C285-K314 WeakPolarHBondContact O-CE 3.21Å
286	T	98.8	Very high	98.7	Very high	49 Å²	49	32.9 Å²	32.9	30%	0.301	18%	0.181	S	C	.	.	H	α-helix	trans	-109.2	-21.9	178.4	58.2	0	0	0	0	113.4	E282 A283 H308 K314	E282-T286 HydrophobicContact CG-CG2 4.1Å; E282-T286 VanDerWaalsContact O-CB 3.32Å; E282-T286 WeakPolarHBondContact O-CB 3.45Å; E282-T286 VanDerWaalsContact O-CG2 3.29Å; E282-T286 WeakPolarHBondContact O-CG2 3.12Å; E282-T286 PolarHBondContact O-N 3.5Å; E282-T286 PolarHBondContact O-OG1 3.04Å; A283-T286 PolarHBondContact O-N 2.89Å; T286-H308 HydrophobicContact CG2-CB 3.83Å; T286-K314 PolarHBondContact O-NZ 3.06Å
287	D	98.9	Very high	98.6	Very high	19 Å²	19	32.2 Å²	32.2	10%	0.102	18%	0.183	C	C	.	.			trans	-54	131.5	-178.2	-163.7	-64.9	0	0	0	111.5	V102 A283 L289 V290 K314	V102-D287 HydrophobicContact CG1-CB 4.2Å; A283-D287 WeakPolarHBondContact O-CB 3.47Å; A283-D287 PolarHBondContact O-N 2.91Å; D287-L289 PolarHBondContact O-N 2.97Å; D287-L289 WeakPolarHBondContact OD1-CB 3.31Å; D287-L289 PolarHBondContact OD1-N 3.37Å; D287-V290 HydrophobicContact CB-CG2 4.32Å; D287-V290 PolarHBondContact O-N 3.36Å; D287-V290 VanDerWaalsContact O-N 3.15Å; D287-K314 WeakPolarHBondContact O-CE 3.39Å; D287-K314 PolarHBondContact O-NZ 2.66Å
288	P	98.8	Very high	98.5	Very high	116 Å²	116	33.2 Å²	33.2	75%	0.753	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.4	-177.2	27.4	-36.9	0	0	0	113.9	V290	P288-V290 VanDerWaalsContact C-N 3.32Å
289	L	98.9	Very high	98.4	Very high	49 Å²	49	27.5 Å²	27.5	26%	0.257	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.6	176.8	-59.9	-179.5	0	0	0	113	V102 R103 Y106 V197 D287	V102-L289 HydrophobicContact CG1-CB 3.73Å; V102-L289 HydrophobicContact CG1-CD1 4.46Å; R103-L289 HydrophobicContact CG-CD1 4.1Å; Y106-L289 HydrophobicContact CD1-CD1 4.29Å; Y106-L289 HydrophobicContact CD1-CD2 4.05Å; Y106-L289 HydrophobicContact CD2-CB 3.95Å; Y106-L289 HydrophobicContact CD2-CD2 3.92Å; Y106-L289 HydrophobicContact CD2-CG 4.39Å; Y106-L289 HydrophobicContact CE1-CD2 4.04Å; Y106-L289 HydrophobicContact CE2-CD2 3.92Å; Y106-L289 HydrophobicContact CG-CB 4.14Å; Y106-L289 HydrophobicContact CG-CD1 4.12Å; Y106-L289 HydrophobicContact CG-CD2 3.99Å; Y106-L289 HydrophobicContact CG-CG 4.31Å; V197-L289 WeakPolarHBondContact CB-O 3.38Å; D287-L289 PolarHBondContact O-N 2.97Å; D287-L289 WeakPolarHBondContact OD1-CB 3.31Å; D287-L289 PolarHBondContact OD1-N 3.37Å
290	V	98.9	Very high	98.3	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.7	172.8	177.6	0	0	0	0	109.1	V102 V197 A199 I284 D287 P288 K292 K314	V102-V290 HydrophobicContact CB-CG2 4.47Å; V102-V290 HydrophobicContact CG1-CG2 3.74Å; V102-V290 HydrophobicContact CG2-CG2 3.85Å; V197-V290 HydrophobicContact CG1-CG2 4.19Å; A199-V290 HydrophobicContact CB-CG1 3.88Å; I284-V290 WeakPolarHBondContact O-CG2 3.39Å; D287-V290 HydrophobicContact CB-CG2 4.32Å; D287-V290 PolarHBondContact O-N 3.36Å; D287-V290 VanDerWaalsContact O-N 3.15Å; P288-V290 VanDerWaalsContact C-N 3.32Å; V290-K292 VanDerWaalsContact CG1-O 3.27Å; V290-K292 WeakPolarHBondContact CG1-O 3.37Å; V290-K314 WeakPolarHBondContact O-CE 3.23Å; V290-K314 PolarHBondContact O-NZ 3.08Å
291	S	98.8	Very high	98.2	Very high	44 Å²	44	30.8 Å²	30.8	31%	0.308	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-17.2	-176.9	-55.6	0	0	0	0	112.6	I195 V197 R315	I195-S291 VanDerWaalsContact CG2-CB 3.48Å; V197-S291 PolarHBondContact O-N 3.15Å; S291-R315 PolarHBondContact O-N 2.95Å; S291-R315 VanDerWaalsContact O-N 3.08Å
292	K	98.9	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.2	-178.2	176.5	73.8	173.3	91.5	0	111	I195 V197 A198 A199 V290 R315 S317 E536 Y537	I195-K292 HydrophobicContact CD1-CD 4.29Å; I195-K292 HydrophobicContact CG2-CB 4.12Å; V197-K292 PolarHBondContact O-N 2.91Å; A198-K292 CarbonylContact C-O 3.55Å; A198-K292 VanDerWaalsContact CA-O 3.26Å; A198-K292 WeakPolarHBondContact CA-O 3.48Å; A198-K292 HydrophobicContact CB-CB 3.85Å; A198-K292 HydrophobicContact CB-CG 3.91Å; A199-K292 PolarHBondContact N-O 3.28Å; V290-K292 VanDerWaalsContact CG1-O 3.27Å; V290-K292 WeakPolarHBondContact CG1-O 3.37Å; K292-R315 CarbonylContact C-O 3.48Å; K292-R315 WeakPolarHBondContact CA-O 3.37Å; K292-R315 HydrophobicContact CD-CB 3.66Å; K292-S317 PolarHBondContact NZ-OG 3.33Å; K292-E536 WeakPolarHBondContact CD-O 3Å; K292-E536 WeakPolarHBondContact CE-O 3.44Å; K292-Y537 HydrophobicContact CG-CD1 4.21Å; K292-Y537 HydrophobicContact CG-CE1 4.12Å
293	I	98.9	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.6	166.5	-62.6	157.8	0	0	0	108.4	A199 C285 A309 K314 R315 V316 S317	A199-I293 HydrophobicContact CB-CG1 4.42Å; A199-I293 CarbonylContact O-C 3.45Å; A199-I293 WeakPolarHBondContact O-CA 3.41Å; C285-I293 HydrophobicContact CB-CD1 3.64Å; C285-I293 HydrophobicContact CB-CG1 4.24Å; I293-A309 HydrophobicContact CD1-CB 3.62Å; I293-K314 HydrophobicContact CD1-CB 4.32Å; I293-K314 HydrophobicContact CD1-CD 3.76Å; I293-K314 HydrophobicContact CG1-CD 4.2Å; I293-R315 PolarHBondContact N-O 3.34Å; I293-V316 HydrophobicContact CB-CG2 4.4Å; I293-V316 WeakPolarHBondContact O-CA 3.36Å; I293-S317 PolarHBondContact O-N 3.24Å
294	S	98.9	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.5	167.4	-178.2	0	0	0	0	109	A199 V200 I201 K214 S317 E528	A199-S294 PolarHBondContact O-N 3.25Å; V200-S294 WeakPolarHBondContact CA-O 3.28Å; I201-S294 PolarHBondContact N-O 3.01Å; K214-S294 VanDerWaalsContact CD-OG 3.24Å; K214-S294 WeakPolarHBondContact CD-OG 3.44Å; K214-S294 WeakPolarHBondContact CG-OG 3.47Å; K214-S294 PolarHBondContact NZ-OG 3.24Å; S294-S317 WeakPolarHBondContact CA-O 3.32Å; S294-S317 PolarHBondContact OG-OG 2.61Å; S294-E528 PolarHBondContact OG-OE1 2.97Å
295	F	98.9	Very high	98.2	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.1	-176	168.4	-109.1	0	0	0	111	I201 G297 T301 L305 S317 M318 E319 L320	I201-F295 HydrophobicContact CB-CD2 3.79Å; I201-F295 HydrophobicContact CG2-CD2 3.64Å; I201-F295 HydrophobicContact CG2-CE2 3.93Å; I201-F295 WeakPolarHBondContact O-CA 3.46Å; F295-G297 VanDerWaalsContact CZ-CA 3.49Å; F295-T301 HydrophobicContact CE1-CG2 4.24Å; F295-T301 HydrophobicContact CE2-CG2 3.78Å; F295-T301 HydrophobicContact CZ-CG2 3.5Å; F295-L305 HydrophobicContact CB-CD1 3.86Å; F295-L305 HydrophobicContact CD1-CD1 4.04Å; F295-L305 HydrophobicContact CD2-CD1 3.58Å; F295-L305 HydrophobicContact CE2-CD1 4.08Å; F295-L305 HydrophobicContact CG-CD1 3.53Å; F295-S317 PolarHBondContact N-O 3.24Å; F295-S317 VanDerWaalsContact N-O 3.1Å; F295-M318 HydrophobicContact CB-CE 4.24Å; F295-M318 HydrophobicContact CB-CG 4.17Å; F295-M318 HydrophobicContact CD1-CE 4.39Å; F295-M318 HydrophobicContact CD1-CG 4.32Å; F295-M318 HydrophobicContact CD1-SD 4.41Å; F295-M318 VanDerWaalsContact O-CA 3.28Å; F295-M318 WeakPolarHBondContact O-CA 3.41Å; F295-E319 PolarHBondContact O-N 3.43Å; F295-L320 HydrophobicContact CD1-CD2 3.63Å; F295-L320 HydrophobicContact CE1-CD2 3.45Å; F295-L320 VanDerWaalsContact CE1-CD2 3.45Å
296	T	98.6	Very high	98.2	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.4	163.6	-65.1	0	0	0	0	109.6	I201 P203 M210 R213 K214 E319	I201-T296 PolarHBondContact O-N 3.12Å; P203-T296 VanDerWaalsContact CD-O 3.31Å; P203-T296 WeakPolarHBondContact CD-O 3.38Å; P203-T296 HydrophobicContact CG-CG2 3.75Å; M210-T296 HydrophobicContact SD-CG2 4.1Å; R213-T296 PolarHBondContact NH2-OG1 2.72Å; K214-T296 VanDerWaalsContact CE-OG1 3.23Å; K214-T296 WeakPolarHBondContact CE-OG1 3.23Å; K214-T296 PolarHBondContact NZ-OG1 3.3Å; T296-E319 VanDerWaalsContact CA-O 3.23Å; T296-E319 WeakPolarHBondContact CA-O 3.42Å; T296-E319 HydrophobicContact CG2-CB 4.29Å; T296-E319 WeakPolarHBondContact CG2-OE2 3.47Å
297	G	96.7	Very high	98.2	Very high	22 Å²	22	42.5 Å²	42.5	23%	0.227	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-151.6	178.1	0	0	0	0	0	112.7	F295 E319 L320 G321	F295-G297 VanDerWaalsContact CZ-CA 3.49Å; G297-E319 PolarHBondContact N-O 3.31Å; G297-E319 VanDerWaalsContact N-O 3.15Å; G297-L320 WeakPolarHBondContact O-CA 3.25Å; G297-G321 PolarHBondContact O-N 3.15Å
298	S	95.8	Very high	98.2	Very high	52 Å²	52	43 Å²	43	36%	0.364	24%	0.244	S	C	.	.			trans	-69.2	148.7	-176.5	69.8	0	0	0	0	112.6	T300 T301 G302	S298-T300 PolarHBondContact O-N 2.92Å; S298-T301 PolarHBondContact O-N 3.01Å; S298-T301 PolarHBondContact OG-N 3.09Å; S298-T301 PolarHBondContact OG-OG1 3.4Å; S298-G302 PolarHBondContact O-N 2.81Å
299	T	96	Very high	98.2	Very high	28 Å²	28	37.6 Å²	37.6	17%	0.172	21%	0.209	C	C	.	.	H	α-helix	trans	-56.7	-37.7	175.5	-52.7	0	0	0	0	112.2	G302 K303 L320 Q522	T299-G302 PolarHBondContact O-N 2.74Å; T299-K303 HydrophobicContact CG2-CD 4.38Å; T299-K303 WeakPolarHBondContact O-CG 2.91Å; T299-K303 PolarHBondContact O-N 3.49Å; T299-L320 HydrophobicContact CG2-CD1 4.43Å; T299-Q522 HydrophobicContact CG2-CB 4.4Å
300	T	96.1	Very high	98.2	Very high	100 Å²	100	38.5 Å²	38.5	61%	0.613	22%	0.224	S	C	*	.	H	α-helix	trans	-59.6	-50.3	177.2	-53.3	0	0	0	0	111.9	S298 K303 I304	S298-T300 PolarHBondContact O-N 2.92Å; T300-K303 PolarHBondContact O-N 3.34Å; T300-I304 WeakPolarHBondContact O-CG1 3.33Å; T300-I304 PolarHBondContact O-N 2.82Å
301	T	98.1	Very high	98.1	Very high	57 Å²	57	44.9 Å²	44.9	35%	0.35	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-40.5	177.6	-60.6	0	0	0	0	110.8	F295 S298 K303 I304 L305	F295-T301 HydrophobicContact CE1-CG2 4.24Å; F295-T301 HydrophobicContact CE2-CG2 3.78Å; F295-T301 HydrophobicContact CZ-CG2 3.5Å; S298-T301 PolarHBondContact O-N 3.01Å; S298-T301 PolarHBondContact OG-N 3.09Å; S298-T301 PolarHBondContact OG-OG1 3.4Å; T301-K303 VanDerWaalsContact C-N 3.34Å; T301-K303 PolarHBondContact O-N 2.89Å; T301-I304 WeakPolarHBondContact O-CB 3.4Å; T301-I304 PolarHBondContact O-N 2.78Å; T301-I304 VanDerWaalsContact O-N 3.15Å; T301-L305 HydrophobicContact CG2-CD1 4.16Å; T301-L305 HydrophobicContact CG2-CG 4.24Å; T301-L305 WeakPolarHBondContact O-CG 3.48Å; T301-L305 PolarHBondContact O-N 2.72Å
302	G	98.3	Very high	98.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-54.9	-47	176.5	0	0	0	0	0	112.9	S298 T299 I304 L305 L306 M318	S298-G302 PolarHBondContact O-N 2.81Å; T299-G302 PolarHBondContact O-N 2.74Å; G302-I304 PolarHBondContact O-N 2.66Å; G302-L305 PolarHBondContact O-N 3.04Å; G302-L306 WeakPolarHBondContact O-CG 3.29Å; G302-L306 PolarHBondContact O-N 3.05Å; G302-M318 WeakPolarHBondContact O-CE 3.35Å
303	K	98.4	Very high	98.1	Very high	98 Å²	98	51.5 Å²	51.5	43%	0.426	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-42.5	176.5	-71.8	176.8	179.1	177.3	0	112.4	T299 T300 T301 L305 L306 H307 Q522	T299-K303 HydrophobicContact CG2-CD 4.38Å; T299-K303 WeakPolarHBondContact O-CG 2.91Å; T299-K303 PolarHBondContact O-N 3.49Å; T300-K303 PolarHBondContact O-N 3.34Å; T301-K303 VanDerWaalsContact C-N 3.34Å; T301-K303 PolarHBondContact O-N 2.89Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.04Å; K303-L306 PolarHBondContact O-N 2.98Å; K303-H307 PolarHBondContact O-CD2 2.75Å; K303-H307 PolarHBondContact O-N 2.81Å; K303-H307 VanDerWaalsContact O-N 3.09Å; K303-Q522 VanDerWaalsContact CE-OE1 3.3Å
304	I	98.7	Very high	98.1	Very high	83 Å²	83	52.4 Å²	52.4	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-46	175.6	-66.1	166.1	0	0	0	110.6	T300 T301 G302 L306 H307 H308	T300-I304 WeakPolarHBondContact O-CG1 3.33Å; T300-I304 PolarHBondContact O-N 2.82Å; T301-I304 WeakPolarHBondContact O-CB 3.4Å; T301-I304 PolarHBondContact O-N 2.78Å; T301-I304 VanDerWaalsContact O-N 3.15Å; G302-I304 PolarHBondContact O-N 2.66Å; I304-L306 VanDerWaalsContact C-N 3.34Å; I304-L306 PolarHBondContact O-N 2.75Å; I304-H307 WeakPolarHBondContact O-CB 2.96Å; I304-H307 PolarHBondContact O-N 2.92Å; I304-H308 PolarHBondContact O-CD2 3.43Å; I304-H308 PolarHBondContact O-N 2.8Å; I304-H308 VanDerWaalsContact O-N 3.12Å
305	L	98.6	Very high	98.1	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-67.2	-33.6	179.5	-62.4	-177.7	0	0	0	112.6	I201 C285 F295 T301 G302 K303 H307 H308 A309 M318	I201-L305 HydrophobicContact CD1-CD1 3.8Å; I201-L305 HydrophobicContact CD1-CD2 4.3Å; C285-L305 HydrophobicContact CB-CD2 4.49Å; F295-L305 HydrophobicContact CB-CD1 3.86Å; F295-L305 HydrophobicContact CD1-CD1 4.04Å; F295-L305 HydrophobicContact CD2-CD1 3.58Å; F295-L305 HydrophobicContact CE2-CD1 4.08Å; F295-L305 HydrophobicContact CG-CD1 3.53Å; T301-L305 HydrophobicContact CG2-CD1 4.16Å; T301-L305 HydrophobicContact CG2-CG 4.24Å; T301-L305 WeakPolarHBondContact O-CG 3.48Å; T301-L305 PolarHBondContact O-N 2.72Å; G302-L305 PolarHBondContact O-N 3.04Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.04Å; L305-H307 VanDerWaalsContact C-N 3.34Å; L305-H308 PolarHBondContact O-N 2.9Å; L305-A309 WeakPolarHBondContact O-CB 3.22Å; L305-A309 PolarHBondContact O-N 3.3Å; L305-M318 HydrophobicContact CB-CE 3.66Å
306	L	98.8	Very high	98.1	Very high	61 Å²	61	57.2 Å²	57.2	32%	0.319	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-40.9	171.2	-75.8	169.4	0	0	0	111.7	G302 K303 I304 H308 A309 A310 V316 M318 L525	G302-L306 WeakPolarHBondContact O-CG 3.29Å; G302-L306 PolarHBondContact O-N 3.05Å; K303-L306 PolarHBondContact O-N 2.98Å; I304-L306 VanDerWaalsContact C-N 3.34Å; I304-L306 PolarHBondContact O-N 2.75Å; L306-H308 VanDerWaalsContact C-N 3.34Å; L306-H308 PolarHBondContact O-N 3.17Å; L306-A309 WeakPolarHBondContact O-CB 3.33Å; L306-A309 PolarHBondContact O-N 3.3Å; L306-A310 WeakPolarHBondContact O-CB 3.03Å; L306-A310 PolarHBondContact O-N 3.33Å; L306-V316 HydrophobicContact CD2-CB 4.12Å; L306-V316 HydrophobicContact CD2-CG1 3.69Å; L306-V316 HydrophobicContact CD2-CG2 4.19Å; L306-M318 HydrophobicContact CD1-SD 4.02Å; L306-M318 HydrophobicContact CD2-CE 4.1Å; L306-M318 HydrophobicContact CD2-SD 3.98Å; L306-M318 HydrophobicContact CG-CE 3.83Å; L306-M318 HydrophobicContact CG-SD 3.66Å; L306-L525 HydrophobicContact CD2-CD1 3.92Å
307	H	98.7	Very high	98.1	Very high	139 Å²	139	57 Å²	57	64%	0.644	32%	0.322	S	S	*	.	H	α-helix	trans	-62.1	-40.8	173.9	-74.3	-67	0	0	0	112.2	K303 I304 L305 A310	K303-H307 PolarHBondContact O-CD2 2.75Å; K303-H307 PolarHBondContact O-N 2.81Å; K303-H307 VanDerWaalsContact O-N 3.09Å; I304-H307 WeakPolarHBondContact O-CB 2.96Å; I304-H307 PolarHBondContact O-N 2.92Å; L305-H307 VanDerWaalsContact C-N 3.34Å; H307-A310 PolarHBondContact O-N 3.08Å
308	H	98.5	Very high	98.2	Very high	28 Å²	28	56.1 Å²	56.1	13%	0.13	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-42.8	173.9	-65.2	-40.1	0	0	0	112.2	C285 T286 I304 L305 L306 A310	C285-H308 HydrophobicContact CB-CB 3.96Å; T286-H308 HydrophobicContact CG2-CB 3.83Å; I304-H308 PolarHBondContact O-CD2 3.43Å; I304-H308 PolarHBondContact O-N 2.8Å; I304-H308 VanDerWaalsContact O-N 3.12Å; L305-H308 PolarHBondContact O-N 2.9Å; L306-H308 VanDerWaalsContact C-N 3.34Å; L306-H308 PolarHBondContact O-N 3.17Å; H308-A310 VanDerWaalsContact C-N 3.34Å; H308-A310 PolarHBondContact O-N 3.4Å
309	A	98.5	Very high	98.3	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-40.7	179.3	0	0	0	0	0	112.5	I293 L305 L306 N311 S312 V313 K314 V316	I293-A309 HydrophobicContact CD1-CB 3.62Å; L305-A309 WeakPolarHBondContact O-CB 3.22Å; L305-A309 PolarHBondContact O-N 3.3Å; L306-A309 WeakPolarHBondContact O-CB 3.33Å; L306-A309 PolarHBondContact O-N 3.3Å; A309-N311 VanDerWaalsContact C-N 3.26Å; A309-N311 PolarHBondContact O-N 3.03Å; A309-S312 CarbonylContact O-C 3.59Å; A309-S312 PolarHBondContact O-N 3.05Å; A309-S312 VanDerWaalsContact O-N 3.12Å; A309-V313 PolarHBondContact O-N 2.9Å; A309-K314 HydrophobicContact CB-CB 4.18Å; A309-K314 PolarHBondContact O-N 3.14Å; A309-V316 HydrophobicContact CB-CG2 3.53Å
310	A	98.7	Very high	98.3	Very high	67 Å²	67	52.9 Å²	52.9	55%	0.554	29%	0.289	S	S	*	.	H	α-helix	trans	-57.6	-36.2	-174.6	0	0	0	0	0	113.1	L306 H307 H308 S312 V313	L306-A310 WeakPolarHBondContact O-CB 3.03Å; L306-A310 PolarHBondContact O-N 3.33Å; H307-A310 PolarHBondContact O-N 3.08Å; H308-A310 VanDerWaalsContact C-N 3.34Å; H308-A310 PolarHBondContact O-N 3.4Å; A310-S312 PolarHBondContact O-N 3.27Å; A310-V313 PolarHBondContact O-N 2.77Å
311	N	98.4	Very high	97.7	Very high	138 Å²	138	48.3 Å²	48.3	74%	0.738	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18	-179.4	-67.3	-32.2	0	0	0	114.2	A309	A309-N311 VanDerWaalsContact C-N 3.26Å; A309-N311 PolarHBondContact O-N 3.03Å
312	S	98.3	Very high	97.1	Very high	52 Å²	52	45.7 Å²	45.7	36%	0.364	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	14.2	-178.8	51.9	0	0	0	0	112.8	A309 A310 K314	A309-S312 CarbonylContact O-C 3.59Å; A309-S312 PolarHBondContact O-N 3.05Å; A309-S312 VanDerWaalsContact O-N 3.12Å; A310-S312 PolarHBondContact O-N 3.27Å; S312-K314 PolarHBondContact O-N 3.3Å; S312-K314 VanDerWaalsContact O-N 3.16Å; S312-K314 WeakPolarHBondContact OG-CG 3.26Å; S312-K314 PolarHBondContact OG-NZ 3.21Å
313	V	98.6	Very high	96.7	Very high	132 Å²	132	46.2 Å²	46.2	80%	0.8	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.7	177.3	-157.7	0	0	0	0	112.5	A309 A310	A309-V313 PolarHBondContact O-N 2.9Å; A310-V313 PolarHBondContact O-N 2.77Å
314	K	98.7	Very high	96.6	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.083	23%	0.229	C	C	.	.			trans	-65.2	144.1	178.8	-76	168.8	168.1	61	0	110.4	C285 T286 D287 V290 I293 A309 S312	C285-K314 WeakPolarHBondContact O-CD 3.27Å; C285-K314 WeakPolarHBondContact O-CE 3.21Å; T286-K314 PolarHBondContact O-NZ 3.06Å; D287-K314 WeakPolarHBondContact O-CE 3.39Å; D287-K314 PolarHBondContact O-NZ 2.66Å; V290-K314 WeakPolarHBondContact O-CE 3.23Å; V290-K314 PolarHBondContact O-NZ 3.08Å; I293-K314 HydrophobicContact CD1-CB 4.32Å; I293-K314 HydrophobicContact CD1-CD 3.76Å; I293-K314 HydrophobicContact CG1-CD 4.2Å; A309-K314 HydrophobicContact CB-CB 4.18Å; A309-K314 PolarHBondContact O-N 3.14Å; S312-K314 PolarHBondContact O-N 3.3Å; S312-K314 VanDerWaalsContact O-N 3.16Å; S312-K314 WeakPolarHBondContact OG-CG 3.26Å; S312-K314 PolarHBondContact OG-NZ 3.21Å
315	R	98.8	Very high	96.5	Very high	83 Å²	83	37.8 Å²	37.8	31%	0.313	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.9	168.1	-72.7	-80.5	-63.1	-87.1	-0.2	108.8	I195 S291 K292 I293 D535 L538 E539	I195-R315 HydrophobicContact CD1-CB 4.15Å; I195-R315 HydrophobicContact CD1-CG 4Å; S291-R315 PolarHBondContact O-N 2.95Å; S291-R315 VanDerWaalsContact O-N 3.08Å; K292-R315 CarbonylContact C-O 3.48Å; K292-R315 WeakPolarHBondContact CA-O 3.37Å; K292-R315 HydrophobicContact CD-CB 3.66Å; I293-R315 PolarHBondContact N-O 3.34Å; R315-D535 PolarHBondContact NH2-O 3.45Å; R315-L538 PolarHBondContact NH1-O 2.85Å; R315-E539 IonicContact CZ-OE1 3.53Å; R315-E539 VanDerWaalsContact NH1-CD 3.31Å; R315-E539 IonicContact NH1-OE1 3.01Å; R315-E539 PolarHBondContact NH1-OE1 3.05Å; R315-E539 IonicContact NH1-OE2 3.84Å
316	V	98.8	Very high	96.5	Very high	26 Å²	26	37.4 Å²	37.4	16%	0.158	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.2	-177.1	-179.5	0	0	0	0	110.6	I293 L306 A309 M318 L525	I293-V316 HydrophobicContact CB-CG2 4.4Å; I293-V316 WeakPolarHBondContact O-CA 3.36Å; L306-V316 HydrophobicContact CD2-CB 4.12Å; L306-V316 HydrophobicContact CD2-CG1 3.69Å; L306-V316 HydrophobicContact CD2-CG2 4.19Å; A309-V316 HydrophobicContact CB-CG2 3.53Å; V316-M318 HydrophobicContact CG1-CE 3.52Å; V316-M318 HydrophobicContact CG1-CG 3.6Å; V316-M318 HydrophobicContact CG1-SD 3.82Å; V316-L525 HydrophobicContact CG1-CD1 4.43Å
317	S	98.8	Very high	96.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.5	163.9	67.4	0	0	0	0	107.5	K292 I293 S294 F295 L525 E536	K292-S317 PolarHBondContact NZ-OG 3.33Å; I293-S317 PolarHBondContact O-N 3.24Å; S294-S317 WeakPolarHBondContact CA-O 3.32Å; S294-S317 PolarHBondContact OG-OG 2.61Å; F295-S317 PolarHBondContact N-O 3.24Å; F295-S317 VanDerWaalsContact N-O 3.1Å; S317-L525 CarbonylContact C-O 3.52Å; S317-L525 VanDerWaalsContact CA-O 3.25Å; S317-L525 WeakPolarHBondContact CA-O 3.24Å; S317-L525 WeakPolarHBondContact CB-O 3.43Å; S317-E536 WeakPolarHBondContact CB-OE2 3.23Å
318	M	98.1	Very high	96.6	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.7	-172.9	-72.7	-176.8	170.6	0	0	109.8	F295 G302 L305 L306 V316 L320 G524 L525	F295-M318 HydrophobicContact CB-CE 4.24Å; F295-M318 HydrophobicContact CB-CG 4.17Å; F295-M318 HydrophobicContact CD1-CE 4.39Å; F295-M318 HydrophobicContact CD1-CG 4.32Å; F295-M318 HydrophobicContact CD1-SD 4.41Å; F295-M318 VanDerWaalsContact O-CA 3.28Å; F295-M318 WeakPolarHBondContact O-CA 3.41Å; G302-M318 WeakPolarHBondContact O-CE 3.35Å; L305-M318 HydrophobicContact CB-CE 3.66Å; L306-M318 HydrophobicContact CD1-SD 4.02Å; L306-M318 HydrophobicContact CD2-CE 4.1Å; L306-M318 HydrophobicContact CD2-SD 3.98Å; L306-M318 HydrophobicContact CG-CE 3.83Å; L306-M318 HydrophobicContact CG-SD 3.66Å; V316-M318 HydrophobicContact CG1-CE 3.52Å; V316-M318 HydrophobicContact CG1-CG 3.6Å; V316-M318 HydrophobicContact CG1-SD 3.82Å; M318-L320 HydrophobicContact CB-CD1 4.41Å; M318-L320 HydrophobicContact CB-CD2 4.14Å; M318-L320 HydrophobicContact CB-CG 4.08Å; M318-G524 CarbonylContact O-C 3.49Å; M318-G524 VanDerWaalsContact O-CA 3.23Å; M318-G524 WeakPolarHBondContact O-CA 3.42Å; M318-L525 PolarHBondContact N-O 3.06Å; M318-L525 PolarHBondContact O-N 3.22Å
319	E	97.7	Very high	96.6	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114	164.2	-173.6	-102.5	123.3	0	0	107.8	R213 F295 T296 G297 C353 L479 F517	R213-E319 IonicContact CZ-OE2 3.49Å; R213-E319 IonicContact NH1-OE2 3.56Å; R213-E319 IonicContact NH2-OE2 2.92Å; R213-E319 PolarHBondContact NH2-OE2 3.23Å; F295-E319 PolarHBondContact O-N 3.43Å; T296-E319 VanDerWaalsContact CA-O 3.23Å; T296-E319 WeakPolarHBondContact CA-O 3.42Å; T296-E319 HydrophobicContact CG2-CB 4.29Å; T296-E319 WeakPolarHBondContact CG2-OE2 3.47Å; G297-E319 PolarHBondContact N-O 3.31Å; G297-E319 VanDerWaalsContact N-O 3.15Å; E319-C353 VanDerWaalsContact OE1-CB 3.23Å; E319-C353 WeakPolarHBondContact OE1-CB 3.38Å; E319-C353 PolarHBondContact OE1-SG 2.93Å; E319-L479 HydrophobicContact CG-CD1 3.86Å; E319-L479 HydrophobicContact CG-CD2 4.36Å; E319-L479 VanDerWaalsContact OE1-CD2 3.27Å; E319-L479 WeakPolarHBondContact OE1-CD2 3.43Å; E319-F517 HydrophobicContact CG-CD1 4.37Å; E319-F517 HydrophobicContact CG-CE1 3.92Å
320	L	96.1	Very high	96.6	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	174.1	-171	-53.9	178.2	0	0	0	110.2	F295 G297 T299 M318 Q522 S523	F295-L320 HydrophobicContact CD1-CD2 3.63Å; F295-L320 HydrophobicContact CE1-CD2 3.45Å; F295-L320 VanDerWaalsContact CE1-CD2 3.45Å; G297-L320 WeakPolarHBondContact O-CA 3.25Å; T299-L320 HydrophobicContact CG2-CD1 4.43Å; M318-L320 HydrophobicContact CB-CD1 4.41Å; M318-L320 HydrophobicContact CB-CD2 4.14Å; M318-L320 HydrophobicContact CB-CG 4.08Å; L320-Q522 WeakPolarHBondContact CD1-O 3.49Å; L320-S523 PolarHBondContact N-O 2.85Å
321	G	85.1	Confident	96.6	Very high	4 Å²	4	29 Å²	29	4%	0.041	16%	0.162	C	C	.	.			trans	-47.4	148.9	-175.2	0	0	0	0	0	114.3	G297 E451 V477 S523	G297-G321 PolarHBondContact O-N 3.15Å; G321-E451 VanDerWaalsContact CA-OE1 3.3Å; G321-E451 WeakPolarHBondContact CA-OE1 3.07Å; G321-E451 WeakPolarHBondContact CA-OE2 3.35Å; G321-V477 WeakPolarHBondContact O-CG1 3.27Å; G321-S523 PolarHBondContact O-OG 3.17Å
322	G	84.6	Confident	96.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	13%	0.131	C	C	.	.			trans	-124.1	162.1	178.5	0	0	0	0	0	112.3	E451	G322-E451 PolarHBondContact N-OE1 2.85Å; G322-E451 WeakPolarHBondContact O-CB 3.08Å; G322-E451 WeakPolarHBondContact O-CG 3.25Å
323	L	90.9	Very high	96.6	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.058	13%	0.132	C	C	.	.			trans	-136.4	67.1	170.2	-169.1	66.3	0	0	0	107.1	P325 N357 Q358 T448 A475 V477	L323-P325 VanDerWaalsContact O-CD 3.25Å; L323-P325 WeakPolarHBondContact O-CD 3.49Å; L323-N357 HydrophobicContact CD1-CB 3.63Å; L323-N357 HydrophobicContact CG-CB 4.47Å; L323-Q358 HydrophobicContact CD1-CG 4.32Å; L323-Q358 HydrophobicContact CG-CG 4.15Å; L323-T448 WeakPolarHBondContact CD2-O 3.12Å; L323-A475 HydrophobicContact CB-CB 4.5Å; L323-A475 HydrophobicContact CD2-CB 4.13Å; L323-V477 HydrophobicContact CB-CG2 3.6Å
324	A	95.6	Very high	96.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.008	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118.2	-165	0	0	0	0	0	111.1	S356 N357 Q358 A480 Y482	A324-S356 WeakPolarHBondContact O-CA 3.43Å; A324-N357 PolarHBondContact O-N 3.14Å; A324-Q358 PolarHBondContact O-N 3.38Å; A324-A480 VanDerWaalsContact CA-O 3.24Å; A324-A480 WeakPolarHBondContact CA-O 3.29Å; A324-A480 HydrophobicContact CB-CB 4.28Å; A324-A480 WeakPolarHBondContact CB-O 3.36Å; A324-Y482 HydrophobicContact CB-CD2 4.38Å; A324-Y482 HydrophobicContact CB-CE2 4.04Å
325	P	97.4	Very high	96.6	Very high	4 Å²	4	24 Å²	24	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.5	172.7	30.7	-35.1	0	0	0	109.9	L323 I327 Q358 L360 A472 A480 Y482	L323-P325 VanDerWaalsContact O-CD 3.25Å; L323-P325 WeakPolarHBondContact O-CD 3.49Å; P325-I327 HydrophobicContact CB-CG1 4.46Å; P325-Q358 CarbonylContact C-O 3.59Å; P325-L360 HydrophobicContact CB-CD1 4.23Å; P325-A472 HydrophobicContact CB-CB 3.79Å; P325-A472 HydrophobicContact CG-CB 3.87Å; P325-A480 WeakPolarHBondContact CD-O 3.25Å; P325-Y482 PolarHBondContact O-N 2.99Å
326	F	98.6	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	100.7	171.7	-170.7	-77	0	0	0	108.4	V328 A337 A341 Q358 F359 L360 F369 Y482 Y484	F326-V328 HydrophobicContact CD1-CG2 3.76Å; F326-V328 HydrophobicContact CE1-CG2 3.53Å; F326-A337 WeakPolarHBondContact CZ-O 3.46Å; F326-A341 HydrophobicContact CE1-CB 4.08Å; F326-A341 HydrophobicContact CE2-CB 4.47Å; F326-A341 HydrophobicContact CZ-CB 3.94Å; F326-Q358 PolarHBondContact N-O 3.44Å; F326-F359 HydrophobicContact CB-CD1 3.76Å; F326-F359 HydrophobicContact CB-CE1 3.82Å; F326-F359 HydrophobicContact CB-CG 4.39Å; F326-F359 AromaticContact CD1-CD1 3.42Å; F326-F359 HydrophobicContact CD1-CD1 3.42Å; F326-F359 VanDerWaalsContact CD1-CD1 3.42Å; F326-F359 AromaticContact CD1-CE1 3.5Å; F326-F359 HydrophobicContact CD1-CE1 3.5Å; F326-F359 VanDerWaalsContact CD1-CE1 3.5Å; F326-F359 HydrophobicContact CD2-CE1 4.08Å; F326-F359 HydrophobicContact CE1-CD1 4.18Å; F326-F359 HydrophobicContact CE1-CE1 4.03Å; F326-F359 AromaticContact CG-CD1 3.73Å; F326-F359 HydrophobicContact CG-CD1 3.73Å; F326-F359 AromaticContact CG-CE1 3.52Å; F326-F359 HydrophobicContact CG-CE1 3.52Å; F326-F359 HydrophobicContact CG-CZ 4.47Å; F326-F359 CarbonylContact O-C 3.51Å; F326-F359 WeakPolarHBondContact O-CA 3.38Å; F326-L360 PolarHBondContact O-N 2.9Å; F326-F369 HydrophobicContact CE1-CZ 4.47Å; F326-Y482 CarbonylContact C-O 3.58Å; F326-Y482 WeakPolarHBondContact CA-O 3.19Å; F326-Y482 VanDerWaalsContact CD2-CB 3.48Å; F326-Y482 HydrophobicContact CD2-CD2 4.29Å; F326-Y482 AromaticContact CD2-CG 3.99Å; F326-Y482 HydrophobicContact CD2-CG 3.99Å; F326-Y484 AromaticContact CE1-CD2 3.89Å; F326-Y484 HydrophobicContact CE1-CD2 3.89Å; F326-Y484 HydrophobicContact CE1-CE2 4.11Å; F326-Y484 HydrophobicContact CE2-CD2 4.17Å; F326-Y484 AromaticContact CE2-CE2 3.65Å; F326-Y484 HydrophobicContact CE2-CE2 3.65Å; F326-Y484 AromaticContact CZ-CD2 3.49Å; F326-Y484 HydrophobicContact CZ-CD2 3.49Å; F326-Y484 VanDerWaalsContact CZ-CD2 3.49Å; F326-Y484 AromaticContact CZ-CE2 3.23Å; F326-Y484 HydrophobicContact CZ-CE2 3.23Å
327	I	98.9	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.5	-171.4	-49.4	169.9	0	0	0	110.1	P325 F329 L360 F462 A468 A472 Y482 F483 Y484 V494 L498	P325-I327 HydrophobicContact CB-CG1 4.46Å; I327-F329 HydrophobicContact CB-CE2 4.22Å; I327-F329 HydrophobicContact CG2-CD1 4.49Å; I327-F329 HydrophobicContact CG2-CD2 4.06Å; I327-F329 HydrophobicContact CG2-CE1 4.04Å; I327-F329 HydrophobicContact CG2-CE2 3.56Å; I327-F329 HydrophobicContact CG2-CZ 3.56Å; I327-L360 CarbonylContact C-O 3.55Å; I327-L360 VanDerWaalsContact CA-O 3.27Å; I327-L360 WeakPolarHBondContact CA-O 3.28Å; I327-L360 HydrophobicContact CB-CB 4.44Å; I327-L360 HydrophobicContact CD1-CD1 4.39Å; I327-L360 HydrophobicContact CG1-CB 4.12Å; I327-L360 HydrophobicContact CG1-CD1 3.88Å; I327-L360 HydrophobicContact CG2-CB 4.33Å; I327-F462 HydrophobicContact CG2-CE1 3.8Å; I327-F462 HydrophobicContact CG2-CZ 3.84Å; I327-A468 HydrophobicContact CG2-CB 4Å; I327-A472 HydrophobicContact CD1-CB 4.22Å; I327-Y482 PolarHBondContact N-O 2.7Å; I327-F483 HydrophobicContact CB-CB 3.77Å; I327-F483 CarbonylContact O-C 3.53Å; I327-F483 WeakPolarHBondContact O-CA 3.36Å; I327-F483 WeakPolarHBondContact O-CB 3.32Å; I327-Y484 PolarHBondContact O-N 2.95Å; I327-V494 HydrophobicContact CD1-CG1 4.5Å; I327-L498 HydrophobicContact CD1-CD1 4.39Å; I327-L498 HydrophobicContact CD1-CD2 4.01Å
328	V	98.9	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	107	176.7	-175.1	0	0	0	0	108.2	F326 A332 A337 L360 V361 Q362 I365 F369	F326-V328 HydrophobicContact CD1-CG2 3.76Å; F326-V328 HydrophobicContact CE1-CG2 3.53Å; V328-A332 HydrophobicContact CG1-CB 3.76Å; V328-A337 HydrophobicContact CG1-CB 3.98Å; V328-A337 HydrophobicContact CG2-CB 4.17Å; V328-L360 PolarHBondContact N-O 3.35Å; V328-V361 HydrophobicContact CB-CG1 4.12Å; V328-V361 HydrophobicContact CB-CG2 4.27Å; V328-V361 HydrophobicContact CG1-CG1 4.44Å; V328-V361 HydrophobicContact CG2-CG2 4.33Å; V328-Q362 PolarHBondContact O-N 2.81Å; V328-I365 HydrophobicContact CG1-CD1 4.33Å; V328-I365 HydrophobicContact CG1-CG2 4.16Å; V328-F369 HydrophobicContact CG1-CD2 4.19Å; V328-F369 HydrophobicContact CG2-CD2 4.23Å; V328-F369 HydrophobicContact CG2-CE2 3.89Å; V328-F369 HydrophobicContact CG2-CZ 4.14Å
329	F	98.9	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.156	C	C	.	.			trans	-82.2	161.7	176.4	-65.6	-78.7	0	0	0	111.4	I327 S331 A332 F462 E465 F483 Y484 Q490 V494	I327-F329 HydrophobicContact CB-CE2 4.22Å; I327-F329 HydrophobicContact CG2-CD1 4.49Å; I327-F329 HydrophobicContact CG2-CD2 4.06Å; I327-F329 HydrophobicContact CG2-CE1 4.04Å; I327-F329 HydrophobicContact CG2-CE2 3.56Å; I327-F329 HydrophobicContact CG2-CZ 3.56Å; F329-S331 PolarHBondContact O-N 3.08Å; F329-S331 VanDerWaalsContact O-N 3.17Å; F329-A332 WeakPolarHBondContact O-CB 3.3Å; F329-A332 PolarHBondContact O-N 3.3Å; F329-F462 HydrophobicContact CD1-CE2 4.18Å; F329-F462 AromaticContact CD1-CZ 3.86Å; F329-F462 HydrophobicContact CD1-CZ 3.86Å; F329-F462 HydrophobicContact CE1-CE2 4.16Å; F329-F462 AromaticContact CE1-CZ 3.96Å; F329-F462 HydrophobicContact CE1-CZ 3.96Å; F329-E465 HydrophobicContact CE1-CB 4.09Å; F329-E465 HydrophobicContact CE1-CG 3.97Å; F329-E465 HydrophobicContact CZ-CG 4.24Å; F329-F483 HydrophobicContact CD2-CD2 4.31Å; F329-F483 HydrophobicContact CE2-CB 4.13Å; F329-F483 HydrophobicContact CE2-CD2 4.02Å; F329-F483 HydrophobicContact CE2-CG 4.33Å; F329-Y484 WeakPolarHBondContact CD2-O 3.31Å; F329-Y484 PolarHBondContact N-O 3.07Å; F329-Y484 VanDerWaalsContact N-O 3.16Å; F329-Q490 HydrophobicContact CD2-CG 4.49Å; F329-Q490 HydrophobicContact CE2-CG 4.43Å; F329-Q490 VanDerWaalsContact CG-OE1 3.23Å; F329-V494 HydrophobicContact CE2-CG1 4.21Å; F329-V494 HydrophobicContact CE2-CG2 3.88Å; F329-V494 HydrophobicContact CZ-CG1 4.3Å; F329-V494 HydrophobicContact CZ-CG2 3.61Å
330	D	98.8	Very high	96.7	Very high	74 Å²	74	26.8 Å²	26.8	40%	0.396	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.9	-179.4	-73.4	-27.3	0	0	0	113.2	A332 Q362 G364 I365	D330-A332 PolarHBondContact O-N 3.15Å; D330-Q362 WeakPolarHBondContact OD1-CB 3.48Å; D330-Q362 VanDerWaalsContact OD2-CD 3.28Å; D330-Q362 WeakPolarHBondContact OD2-CG 3.37Å; D330-Q362 PolarHBondContact OD2-OE1 2.79Å; D330-G364 WeakPolarHBondContact OD1-CA 3.45Å; D330-G364 PolarHBondContact OD1-N 3.31Å; D330-I365 PolarHBondContact OD1-N 3.09Å
331	S	98.6	Very high	96.8	Very high	48 Å²	48	26.4 Å²	26.4	34%	0.336	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.3	176.1	68.8	0	0	0	0	113.5	F329 S485 Q486	F329-S331 PolarHBondContact O-N 3.08Å; F329-S331 VanDerWaalsContact O-N 3.17Å; S331-S485 PolarHBondContact OG-OG 2.86Å; S331-Q486 VanDerWaalsContact O-CB 3.3Å; S331-Q486 WeakPolarHBondContact O-CB 3.12Å; S331-Q486 WeakPolarHBondContact O-CG 3.37Å; S331-Q486 PolarHBondContact OG-N 3.26Å
332	A	98.7	Very high	97.4	Very high	10 Å²	10	27.4 Å²	27.4	8%	0.083	16%	0.158	C	C	.	.	S	Bend	trans	-63.1	146	-177.9	0	0	0	0	0	112.1	V328 F329 D330 V334 I365 Y484	V328-A332 HydrophobicContact CG1-CB 3.76Å; F329-A332 WeakPolarHBondContact O-CB 3.3Å; F329-A332 PolarHBondContact O-N 3.3Å; D330-A332 PolarHBondContact O-N 3.15Å; A332-V334 PolarHBondContact O-N 3.05Å; A332-I365 HydrophobicContact CB-CD1 4.12Å; A332-I365 WeakPolarHBondContact O-CD1 3.39Å; A332-Y484 WeakPolarHBondContact CB-O 3.26Å
333	N	98.6	Very high	98	Very high	69 Å²	69	28.8 Å²	28.8	37%	0.369	17%	0.17	S	C	.	.			trans	-74.1	114.1	162.4	-178.5	-55.4	0	0	0	108.8	D335 Q336 A337	N333-D335 VanDerWaalsContact C-N 3.35Å; N333-D335 PolarHBondContact O-N 3.5Å; N333-D335 PolarHBondContact OD1-N 3.34Å; N333-D335 VanDerWaalsContact OD1-N 3.08Å; N333-Q336 HydrophobicContact CB-CB 4.06Å; N333-Q336 HydrophobicContact CB-CG 3.98Å; N333-Q336 PolarHBondContact O-N 3.41Å; N333-Q336 PolarHBondContact OD1-N 3.39Å; N333-Q336 VanDerWaalsContact OD1-N 3.07Å; N333-A337 WeakPolarHBondContact O-CB 3.36Å; N333-A337 PolarHBondContact O-N 3.01Å
334	V	98.4	Very high	98.3	Very high	37 Å²	37	28.4 Å²	28.4	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-55.3	-47.6	-176.7	178.3	0	0	0	0	111.8	A332 Q336 A337 V338 I365 A372	A332-V334 PolarHBondContact O-N 3.05Å; V334-Q336 VanDerWaalsContact C-N 3.33Å; V334-Q336 PolarHBondContact O-N 2.72Å; V334-A337 PolarHBondContact O-N 2.65Å; V334-V338 HydrophobicContact CG1-CG2 4.26Å; V334-V338 WeakPolarHBondContact O-CB 3.3Å; V334-V338 VanDerWaalsContact O-CG2 3.32Å; V334-V338 WeakPolarHBondContact O-CG2 3.21Å; V334-V338 PolarHBondContact O-N 3.34Å; V334-I365 HydrophobicContact CG2-CD1 3.55Å; V334-I365 HydrophobicContact CG2-CG1 3.67Å; V334-A372 HydrophobicContact CG1-CB 4.04Å
335	D	98.4	Very high	98.4	Very high	120 Å²	120	28.3 Å²	28.3	64%	0.642	17%	0.167	S	C	*	.	H	α-helix	trans	-64.5	-40	-176.1	-66.3	-33.5	0	0	0	111.4	N333 A339	N333-D335 VanDerWaalsContact C-N 3.35Å; N333-D335 PolarHBondContact O-N 3.5Å; N333-D335 PolarHBondContact OD1-N 3.34Å; N333-D335 VanDerWaalsContact OD1-N 3.08Å; D335-A339 WeakPolarHBondContact O-CB 3.4Å; D335-A339 PolarHBondContact O-N 3.27Å
336	Q	98.7	Very high	98.4	Very high	107 Å²	107	28.3 Å²	28.3	50%	0.5	17%	0.167	S	C	.	.	H	α-helix	trans	-68	-43.1	175.8	-63.4	-61.6	-41.8	0	0	111.6	N333 V334 V338 A339 G340 Y484	N333-Q336 HydrophobicContact CB-CB 4.06Å; N333-Q336 HydrophobicContact CB-CG 3.98Å; N333-Q336 PolarHBondContact O-N 3.41Å; N333-Q336 PolarHBondContact OD1-N 3.39Å; N333-Q336 VanDerWaalsContact OD1-N 3.07Å; V334-Q336 VanDerWaalsContact C-N 3.33Å; V334-Q336 PolarHBondContact O-N 2.72Å; Q336-V338 VanDerWaalsContact C-N 3.32Å; Q336-V338 PolarHBondContact O-N 2.96Å; Q336-A339 PolarHBondContact O-N 2.84Å; Q336-G340 PolarHBondContact O-N 2.82Å; Q336-Y484 HydrophobicContact CB-CD1 4.28Å; Q336-Y484 HydrophobicContact CB-CE1 3.98Å; Q336-Y484 VanDerWaalsContact O-CE1 3.24Å; Q336-Y484 WeakPolarHBondContact O-CE1 3.33Å
337	A	98.8	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-42	176.5	0	0	0	0	0	111.2	F326 V328 N333 V334 G340 A341 F369 Y484	F326-A337 WeakPolarHBondContact CZ-O 3.46Å; V328-A337 HydrophobicContact CG1-CB 3.98Å; V328-A337 HydrophobicContact CG2-CB 4.17Å; N333-A337 WeakPolarHBondContact O-CB 3.36Å; N333-A337 PolarHBondContact O-N 3.01Å; V334-A337 PolarHBondContact O-N 2.65Å; A337-G340 PolarHBondContact O-N 2.93Å; A337-A341 VanDerWaalsContact O-CB 3.25Å; A337-A341 WeakPolarHBondContact O-CB 3.23Å; A337-A341 PolarHBondContact O-N 3.29Å; A337-F369 HydrophobicContact CB-CD2 4.17Å; A337-F369 HydrophobicContact CB-CE2 3.94Å; A337-Y484 VanDerWaalsContact CA-CD1 3.46Å; A337-Y484 HydrophobicContact CB-CD1 3.83Å; A337-Y484 HydrophobicContact CB-CD2 4.29Å; A337-Y484 HydrophobicContact CB-CE1 4.45Å; A337-Y484 HydrophobicContact CB-CG 3.75Å
338	V	98.8	Very high	98.2	Very high	10 Å²	10	30.6 Å²	30.6	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-66	-43.3	175.4	169.7	0	0	0	0	111.1	V334 Q336 G340 A341 M342 F369 A372 F373 A376	V334-V338 HydrophobicContact CG1-CG2 4.26Å; V334-V338 WeakPolarHBondContact O-CB 3.3Å; V334-V338 VanDerWaalsContact O-CG2 3.32Å; V334-V338 WeakPolarHBondContact O-CG2 3.21Å; V334-V338 PolarHBondContact O-N 3.34Å; Q336-V338 VanDerWaalsContact C-N 3.32Å; Q336-V338 PolarHBondContact O-N 2.96Å; V338-G340 VanDerWaalsContact C-N 3.33Å; V338-G340 PolarHBondContact O-N 3.44Å; V338-A341 PolarHBondContact O-N 3.36Å; V338-M342 HydrophobicContact CG1-CG 4.31Å; V338-M342 WeakPolarHBondContact O-CB 3.41Å; V338-M342 WeakPolarHBondContact O-CG 3.46Å; V338-M342 PolarHBondContact O-N 2.94Å; V338-F369 HydrophobicContact CG2-CD2 3.78Å; V338-F369 HydrophobicContact CG2-CE2 3.81Å; V338-A372 HydrophobicContact CG2-CB 3.88Å; V338-F373 HydrophobicContact CG1-CD2 4.31Å; V338-F373 HydrophobicContact CG2-CB 4.22Å; V338-A376 HydrophobicContact CG1-CB 3.58Å
339	A	98.7	Very high	98.1	Very high	55 Å²	55	30.7 Å²	30.7	46%	0.455	18%	0.176	S	C	.	.	H	α-helix	trans	-60.1	-43.6	176	0	0	0	0	0	111.8	D335 Q336 M342 A343	D335-A339 WeakPolarHBondContact O-CB 3.4Å; D335-A339 PolarHBondContact O-N 3.27Å; Q336-A339 PolarHBondContact O-N 2.84Å; A339-M342 PolarHBondContact O-N 2.63Å; A339-A343 WeakPolarHBondContact O-CB 3.4Å; A339-A343 PolarHBondContact O-N 3.33Å
340	G	98.6	Very high	98	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-42.6	173.2	0	0	0	0	0	113.7	Q336 A337 V338 A343 S344 Y484	Q336-G340 PolarHBondContact O-N 2.82Å; A337-G340 PolarHBondContact O-N 2.93Å; V338-G340 VanDerWaalsContact C-N 3.33Å; V338-G340 PolarHBondContact O-N 3.44Å; G340-A343 PolarHBondContact O-N 3.5Å; G340-S344 VanDerWaalsContact O-CB 3.27Å; G340-S344 WeakPolarHBondContact O-CB 3.13Å; G340-S344 PolarHBondContact O-N 3.28Å; G340-S344 PolarHBondContact O-OG 2.85Å; G340-Y484 WeakPolarHBondContact CA-OH 3.4Å
341	A	98.6	Very high	97.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176.3	0	0	0	0	0	111.2	F326 A337 V338 S344 K345 F359 F369 F373	F326-A341 HydrophobicContact CE1-CB 4.08Å; F326-A341 HydrophobicContact CE2-CB 4.47Å; F326-A341 HydrophobicContact CZ-CB 3.94Å; A337-A341 VanDerWaalsContact O-CB 3.25Å; A337-A341 WeakPolarHBondContact O-CB 3.23Å; A337-A341 PolarHBondContact O-N 3.29Å; V338-A341 PolarHBondContact O-N 3.36Å; A341-S344 PolarHBondContact O-OG 3.49Å; A341-K345 VanDerWaalsContact O-CB 3.28Å; A341-K345 WeakPolarHBondContact O-CB 3.31Å; A341-K345 PolarHBondContact O-N 3Å; A341-F359 HydrophobicContact CB-CD1 4.38Å; A341-F359 HydrophobicContact CB-CE1 3.45Å; A341-F359 VanDerWaalsContact CB-CE1 3.45Å; A341-F359 HydrophobicContact CB-CZ 4.04Å; A341-F369 HydrophobicContact CB-CE2 4.41Å; A341-F369 HydrophobicContact CB-CZ 3.97Å; A341-F373 HydrophobicContact CB-CD2 4.23Å; A341-F373 HydrophobicContact CB-CE1 4.1Å; A341-F373 HydrophobicContact CB-CE2 3.7Å; A341-F373 HydrophobicContact CB-CZ 3.65Å
342	M	98.6	Very high	97.6	Very high	25 Å²	25	25 Å²	25	12%	0.123	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-48.7	176	-73.4	-61.8	-67.1	0	0	111.7	V338 A339 F346 F373 A376 M377 N380 L381	V338-M342 HydrophobicContact CG1-CG 4.31Å; V338-M342 WeakPolarHBondContact O-CB 3.41Å; V338-M342 WeakPolarHBondContact O-CG 3.46Å; V338-M342 PolarHBondContact O-N 2.94Å; A339-M342 PolarHBondContact O-N 2.63Å; M342-F346 HydrophobicContact CE-CD2 4.31Å; M342-F346 PolarHBondContact O-N 3.48Å; M342-F346 HydrophobicContact SD-CD2 3.92Å; M342-F346 HydrophobicContact SD-CE2 4.03Å; M342-F373 HydrophobicContact CG-CD2 4.23Å; M342-F373 HydrophobicContact CG-CE2 4.02Å; M342-F373 HydrophobicContact SD-CD2 3.8Å; M342-F373 HydrophobicContact SD-CE2 3.54Å; M342-F373 VanDerWaalsContact SD-CE2 3.54Å; M342-A376 HydrophobicContact CG-CB 4Å; M342-A376 HydrophobicContact SD-CB 3.99Å; M342-M377 HydrophobicContact CE-CG 4.38Å; M342-M377 HydrophobicContact SD-CB 4.46Å; M342-M377 HydrophobicContact SD-CG 3.68Å; M342-N380 HydrophobicContact CE-CB 4.08Å; M342-L381 HydrophobicContact CE-CD1 4.13Å; M342-L381 HydrophobicContact CE-CD2 3.63Å; M342-L381 HydrophobicContact CE-CG 3.71Å
343	A	96.8	Very high	97.1	Very high	31 Å²	31	24.9 Å²	24.9	26%	0.256	14%	0.14	S	C	.	.	H	α-helix	trans	-71	-38.1	-177.7	0	0	0	0	0	113	A339 G340 R347 L509	A339-A343 WeakPolarHBondContact O-CB 3.4Å; A339-A343 PolarHBondContact O-N 3.33Å; G340-A343 PolarHBondContact O-N 3.5Å; A343-R347 WeakPolarHBondContact O-CB 3.39Å; A343-L509 HydrophobicContact CB-CD1 4Å; A343-L509 HydrophobicContact CB-CD2 4.06Å; A343-L509 HydrophobicContact CB-CG 3.81Å
344	S	96.5	Very high	96.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-75.8	-41.6	-179.3	58.8	0	0	0	0	112.6	G340 A341 C355 S356	G340-S344 VanDerWaalsContact O-CB 3.27Å; G340-S344 WeakPolarHBondContact O-CB 3.13Å; G340-S344 PolarHBondContact O-N 3.28Å; G340-S344 PolarHBondContact O-OG 2.85Å; A341-S344 PolarHBondContact O-OG 3.49Å; S344-C355 WeakPolarHBondContact O-CA 3.47Å; S344-C355 PolarHBondContact O-SG 3.43Å; S344-S356 WeakPolarHBondContact CB-OG 3.41Å; S344-S356 PolarHBondContact OG-OG 2.83Å
345	K	97.8	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-84.7	-41.9	-173.8	-178.3	65.8	-134.7	-172.7	0	114.2	A341 G350 S356 N357 F359 G454 L456 A457	A341-K345 VanDerWaalsContact O-CB 3.28Å; A341-K345 WeakPolarHBondContact O-CB 3.31Å; A341-K345 PolarHBondContact O-N 3Å; K345-G350 WeakPolarHBondContact O-CA 3.34Å; K345-G350 PolarHBondContact O-N 2.89Å; K345-S356 WeakPolarHBondContact CD-O 3.29Å; K345-S356 PolarHBondContact N-OG 3.25Å; K345-S356 PolarHBondContact NZ-O 3.26Å; K345-N357 PolarHBondContact NZ-OD1 3.25Å; K345-F359 HydrophobicContact CB-CE2 4.2Å; K345-F359 HydrophobicContact CB-CZ 3.91Å; K345-F359 HydrophobicContact CD-CE2 4.16Å; K345-F359 HydrophobicContact CG-CE2 4.22Å; K345-F359 HydrophobicContact CG-CZ 4.43Å; K345-G454 WeakPolarHBondContact CE-O 3.26Å; K345-G454 PolarHBondContact NZ-O 2.85Å; K345-L456 WeakPolarHBondContact CD-O 3.22Å; K345-L456 WeakPolarHBondContact CE-O 3.42Å; K345-L456 PolarHBondContact NZ-O 3.02Å; K345-A457 HydrophobicContact CG-CB 4.18Å
346	F	98.1	Very high	96.4	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.013	8%	0.083	C	C	.	.	H	α-helix	trans	-99.3	-7.6	-168.1	-62.3	-68.2	0	0	0	113.3	M342 N348 T349 F373 M377 L381 Q393 P435 P455 A457	M342-F346 HydrophobicContact CE-CD2 4.31Å; M342-F346 PolarHBondContact O-N 3.48Å; M342-F346 HydrophobicContact SD-CD2 3.92Å; M342-F346 HydrophobicContact SD-CE2 4.03Å; F346-N348 PolarHBondContact O-N 2.88Å; F346-T349 WeakPolarHBondContact O-CA 3.18Å; F346-T349 PolarHBondContact O-N 3.22Å; F346-F373 HydrophobicContact CD2-CE2 4.36Å; F346-F373 AromaticContact CE2-CE2 3.61Å; F346-F373 HydrophobicContact CE2-CE2 3.61Å; F346-F373 AromaticContact CE2-CZ 3.61Å; F346-F373 HydrophobicContact CE2-CZ 3.61Å; F346-F373 HydrophobicContact CZ-CZ 4.29Å; F346-M377 HydrophobicContact CD2-CG 4.47Å; F346-M377 HydrophobicContact CE1-CE 4.02Å; F346-M377 HydrophobicContact CE2-CE 4.14Å; F346-M377 HydrophobicContact CE2-CG 3.62Å; F346-M377 HydrophobicContact CE2-SD 3.82Å; F346-M377 HydrophobicContact CZ-CE 3.41Å; F346-M377 VanDerWaalsContact CZ-CE 3.41Å; F346-M377 HydrophobicContact CZ-CG 3.92Å; F346-M377 HydrophobicContact CZ-SD 3.62Å; F346-L381 HydrophobicContact CB-CD1 4.24Å; F346-L381 HydrophobicContact CB-CD2 3.9Å; F346-L381 HydrophobicContact CD1-CD1 3.74Å; F346-L381 HydrophobicContact CD2-CD1 3.77Å; F346-L381 HydrophobicContact CD2-CD2 4.48Å; F346-L381 HydrophobicContact CE1-CD1 4.01Å; F346-L381 HydrophobicContact CE2-CD1 4.02Å; F346-L381 HydrophobicContact CG-CD1 3.63Å; F346-L381 HydrophobicContact CG-CD2 4.19Å; F346-L381 HydrophobicContact CZ-CD1 4.16Å; F346-Q393 PolarHBondContact O-NE2 3.39Å; F346-P435 HydrophobicContact CD1-CB 4.22Å; F346-P435 HydrophobicContact CE1-CB 3.85Å; F346-P455 HydrophobicContact CD1-CB 3.99Å; F346-P455 HydrophobicContact CE1-CB 4.13Å; F346-A457 HydrophobicContact CZ-CB 4.35Å
347	R	95.4	Very high	96.1	Very high	48 Å²	48	9.3 Å²	9.3	18%	0.181	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-57.4	134.4	168.3	-177	-179.6	69.9	165.1	2.7	110.2	A343 T349 G350 V354 S511	A343-R347 WeakPolarHBondContact O-CB 3.39Å; R347-T349 PolarHBondContact O-N 3.07Å; R347-G350 PolarHBondContact O-N 3.24Å; R347-V354 VanDerWaalsContact NH2-CG2 3.28Å; R347-S511 PolarHBondContact NH1-OG 3.42Å
348	N	96.8	Very high	95.8	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	54.7	31.8	-174	-158.2	40.2	0	0	0	112.9	K148 E152 N205 F346 G350 Q351 T352	K148-N348 WeakPolarHBondContact CB-OD1 3.29Å; K148-N348 VanDerWaalsContact CE-OD1 3.25Å; K148-N348 WeakPolarHBondContact CE-OD1 3.48Å; E152-N348 PolarHBondContact OE1-N 3.19Å; E152-N348 WeakPolarHBondContact OE2-CA 3.18Å; E152-N348 PolarHBondContact OE2-N 2.92Å; N205-N348 PolarHBondContact O-ND2 2.77Å; F346-N348 PolarHBondContact O-N 2.88Å; N348-G350 PolarHBondContact O-N 2.95Å; N348-Q351 PolarHBondContact ND2-O 2.81Å; N348-Q351 VanDerWaalsContact O-CB 3.23Å; N348-Q351 WeakPolarHBondContact O-CB 3.39Å; N348-Q351 WeakPolarHBondContact O-CG 3.49Å; N348-Q351 PolarHBondContact O-N 3.09Å; N348-Q351 PolarHBondContact O-NE2 2.94Å; N348-Q351 VanDerWaalsContact O-NE2 3.12Å; N348-T352 HydrophobicContact CB-CG2 3.59Å
349	T	97.9	Very high	95.7	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.012	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	54.2	36.1	-174.2	-45.3	0	0	0	0	111.9	F346 R347 Q351 G394 L396 G454 P455	F346-T349 WeakPolarHBondContact O-CA 3.18Å; F346-T349 PolarHBondContact O-N 3.22Å; R347-T349 PolarHBondContact O-N 3.07Å; T349-Q351 VanDerWaalsContact C-N 3.29Å; T349-Q351 PolarHBondContact O-N 3.41Å; T349-G394 WeakPolarHBondContact CG2-O 3.41Å; T349-G394 PolarHBondContact OG1-N 2.88Å; T349-G394 PolarHBondContact OG1-O 2.74Å; T349-L396 HydrophobicContact CG2-CD2 4.26Å; T349-G454 CarbonylContact O-C 3.57Å; T349-G454 VanDerWaalsContact O-CA 3.3Å; T349-G454 WeakPolarHBondContact O-CA 3.31Å; T349-P455 HydrophobicContact CG2-CB 3.82Å; T349-P455 HydrophobicContact CG2-CG 3.72Å; T349-P455 WeakPolarHBondContact O-CD 3.24Å
350	G	95.9	Very high	95.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	74.8	13.6	-179.3	0	0	0	0	0	115.5	K345 R347 N348 T352 C355 F453 G454	K345-G350 WeakPolarHBondContact O-CA 3.34Å; K345-G350 PolarHBondContact O-N 2.89Å; R347-G350 PolarHBondContact O-N 3.24Å; N348-G350 PolarHBondContact O-N 2.95Å; G350-T352 PolarHBondContact O-N 2.88Å; G350-C355 VanDerWaalsContact C-SG 3.57Å; G350-C355 VanDerWaalsContact CA-SG 3.58Å; G350-F453 WeakPolarHBondContact O-CA 3.37Å; G350-G454 PolarHBondContact O-N 2.79Å; G350-G454 VanDerWaalsContact O-N 3.15Å
351	Q	96.5	Very high	95.7	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	4%	0.035	C	C	.	.			trans	-98.7	52.7	-177.1	-59.4	170.6	111	0	0	111.6	W204 N205 N348 T349 P395 L396 F453	W204-Q351 HydrophobicContact CH2-CB 3.5Å; W204-Q351 VanDerWaalsContact CH2-CD 3.47Å; W204-Q351 HydrophobicContact CH2-CG 3.77Å; W204-Q351 HydrophobicContact CZ3-CB 3.93Å; W204-Q351 HydrophobicContact CZ3-CG 4.39Å; N205-Q351 WeakPolarHBondContact CB-O 3.49Å; N348-Q351 PolarHBondContact ND2-O 2.81Å; N348-Q351 VanDerWaalsContact O-CB 3.23Å; N348-Q351 WeakPolarHBondContact O-CB 3.39Å; N348-Q351 WeakPolarHBondContact O-CG 3.49Å; N348-Q351 PolarHBondContact O-N 3.09Å; N348-Q351 PolarHBondContact O-NE2 2.94Å; N348-Q351 VanDerWaalsContact O-NE2 3.12Å; T349-Q351 VanDerWaalsContact C-N 3.29Å; T349-Q351 PolarHBondContact O-N 3.41Å; Q351-P395 PolarHBondContact NE2-O 2.84Å; Q351-L396 VanDerWaalsContact CD-CD2 3.42Å; Q351-L396 HydrophobicContact CG-CD2 3.75Å; Q351-L396 VanDerWaalsContact OE1-CA 3.25Å; Q351-F453 HydrophobicContact CB-CD1 4.48Å; Q351-F453 HydrophobicContact CG-CB 4.42Å
352	T	92.3	Very high	95.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-130.9	146.5	174.5	87	0	0	0	0	110.2	F206 N348 G350 V354 C355	F206-T352 HydrophobicContact CE2-CG2 3.47Å; F206-T352 VanDerWaalsContact CE2-CG2 3.47Å; F206-T352 HydrophobicContact CZ-CG2 3.68Å; N348-T352 HydrophobicContact CB-CG2 3.59Å; G350-T352 PolarHBondContact O-N 2.88Å; T352-V354 PolarHBondContact O-N 3.2Å; T352-C355 WeakPolarHBondContact O-CB 3.38Å; T352-C355 PolarHBondContact O-N 3.4Å; T352-C355 PolarHBondContact OG1-N 2.7Å; T352-C355 VanDerWaalsContact OG1-N 3.12Å; T352-C355 PolarHBondContact OG1-SG 3.41Å
353	C	90.2	Very high	95.8	Very high	8 Å²	8	13.7 Å²	13.7	5%	0.054	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.2	179.6	51.2	0	0	0	0	113.2	E319 F453 L479	E319-C353 VanDerWaalsContact OE1-CB 3.23Å; E319-C353 WeakPolarHBondContact OE1-CB 3.38Å; E319-C353 PolarHBondContact OE1-SG 2.93Å; C353-F453 HydrophobicContact CB-CZ 4.3Å; C353-L479 HydrophobicContact CB-CD2 3.61Å
354	V	93.9	Very high	95.8	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.03	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	6.7	177.1	-58.6	0	0	0	0	112.9	R347 T352 S356 L479 A480 Y482 M502 F517	R347-V354 VanDerWaalsContact NH2-CG2 3.28Å; T352-V354 PolarHBondContact O-N 3.2Å; V354-S356 PolarHBondContact O-N 2.76Å; V354-L479 HydrophobicContact CG1-CD2 4.11Å; V354-L479 HydrophobicContact CG1-CG 4.38Å; V354-A480 HydrophobicContact CB-CB 4.02Å; V354-A480 HydrophobicContact CG1-CB 3.92Å; V354-Y482 WeakPolarHBondContact O-CE2 3.35Å; V354-Y482 PolarHBondContact O-OH 3.5Å; V354-Y482 VanDerWaalsContact O-OH 3.06Å; V354-M502 HydrophobicContact CG1-CE 4.18Å; V354-F517 HydrophobicContact CG1-CE2 3.83Å; V354-F517 HydrophobicContact CG1-CZ 3.46Å; V354-F517 VanDerWaalsContact CG1-CZ 3.46Å
355	C	92.4	Very high	95.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-62.7	134.3	174.2	-82.1	0	0	0	0	110	S344 G350 T352 N357	S344-C355 WeakPolarHBondContact O-CA 3.47Å; S344-C355 PolarHBondContact O-SG 3.43Å; G350-C355 VanDerWaalsContact C-SG 3.57Å; G350-C355 VanDerWaalsContact CA-SG 3.58Å; T352-C355 WeakPolarHBondContact O-CB 3.38Å; T352-C355 PolarHBondContact O-N 3.4Å; T352-C355 PolarHBondContact OG1-N 2.7Å; T352-C355 VanDerWaalsContact OG1-N 3.12Å; T352-C355 PolarHBondContact OG1-SG 3.41Å; C355-N357 PolarHBondContact O-N 3.42Å
356	S	93.3	Very high	96	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	116.9	172.6	39.3	0	0	0	0	109.4	A324 S344 K345 V354 F359	A324-S356 WeakPolarHBondContact O-CA 3.43Å; S344-S356 WeakPolarHBondContact CB-OG 3.41Å; S344-S356 PolarHBondContact OG-OG 2.83Å; K345-S356 WeakPolarHBondContact CD-O 3.29Å; K345-S356 PolarHBondContact N-OG 3.25Å; K345-S356 PolarHBondContact NZ-O 3.26Å; V354-S356 PolarHBondContact O-N 2.76Å; S356-F359 VanDerWaalsContact OG-CZ 3.28Å; S356-F359 WeakPolarHBondContact OG-CZ 3.39Å
357	N	91.6	Very high	96	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-15.7	-176.9	-78.1	-33.8	0	0	0	112.6	L323 A324 K345 C355 T452 P458	L323-N357 HydrophobicContact CD1-CB 3.63Å; L323-N357 HydrophobicContact CG-CB 4.47Å; A324-N357 PolarHBondContact O-N 3.14Å; K345-N357 PolarHBondContact NZ-OD1 3.25Å; C355-N357 PolarHBondContact O-N 3.42Å; N357-T452 PolarHBondContact OD1-O 2.85Å; N357-P458 VanDerWaalsContact O-CD 3.29Å; N357-P458 WeakPolarHBondContact O-CD 3.42Å; N357-P458 WeakPolarHBondContact O-CG 3.01Å
358	Q	92.3	Very high	96.1	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.037	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	112	178.6	-61.9	179	-11.4	0	0	109.3	L323 A324 P325 F326 T448	L323-Q358 HydrophobicContact CD1-CG 4.32Å; L323-Q358 HydrophobicContact CG-CG 4.15Å; A324-Q358 PolarHBondContact O-N 3.38Å; P325-Q358 CarbonylContact C-O 3.59Å; F326-Q358 PolarHBondContact N-O 3.44Å; Q358-T448 VanDerWaalsContact NE2-C 3.34Å; Q358-T448 PolarHBondContact NE2-O 2.88Å
359	F	98.4	Very high	96.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.3	173.4	-71.3	-90.4	0	0	0	108.8	F326 A341 K345 S356 V361 F369 F373 A457 P458 V459 I460	F326-F359 HydrophobicContact CB-CD1 3.76Å; F326-F359 HydrophobicContact CB-CE1 3.82Å; F326-F359 HydrophobicContact CB-CG 4.39Å; F326-F359 AromaticContact CD1-CD1 3.42Å; F326-F359 HydrophobicContact CD1-CD1 3.42Å; F326-F359 VanDerWaalsContact CD1-CD1 3.42Å; F326-F359 AromaticContact CD1-CE1 3.5Å; F326-F359 HydrophobicContact CD1-CE1 3.5Å; F326-F359 VanDerWaalsContact CD1-CE1 3.5Å; F326-F359 HydrophobicContact CD2-CE1 4.08Å; F326-F359 HydrophobicContact CE1-CD1 4.18Å; F326-F359 HydrophobicContact CE1-CE1 4.03Å; F326-F359 AromaticContact CG-CD1 3.73Å; F326-F359 HydrophobicContact CG-CD1 3.73Å; F326-F359 AromaticContact CG-CE1 3.52Å; F326-F359 HydrophobicContact CG-CE1 3.52Å; F326-F359 HydrophobicContact CG-CZ 4.47Å; F326-F359 CarbonylContact O-C 3.51Å; F326-F359 WeakPolarHBondContact O-CA 3.38Å; A341-F359 HydrophobicContact CB-CD1 4.38Å; A341-F359 HydrophobicContact CB-CE1 3.45Å; A341-F359 VanDerWaalsContact CB-CE1 3.45Å; A341-F359 HydrophobicContact CB-CZ 4.04Å; K345-F359 HydrophobicContact CB-CE2 4.2Å; K345-F359 HydrophobicContact CB-CZ 3.91Å; K345-F359 HydrophobicContact CD-CE2 4.16Å; K345-F359 HydrophobicContact CG-CE2 4.22Å; K345-F359 HydrophobicContact CG-CZ 4.43Å; S356-F359 VanDerWaalsContact OG-CZ 3.28Å; S356-F359 WeakPolarHBondContact OG-CZ 3.39Å; F359-V361 HydrophobicContact CB-CG2 4.39Å; F359-F369 HydrophobicContact CD1-CE1 4.35Å; F359-F369 HydrophobicContact CD1-CZ 4.14Å; F359-F373 HydrophobicContact CD1-CE1 4.39Å; F359-F373 HydrophobicContact CE1-CE1 4.09Å; F359-F373 HydrophobicContact CE1-CZ 4.3Å; F359-F373 HydrophobicContact CE2-CE1 4.19Å; F359-F373 HydrophobicContact CE2-CZ 4.43Å; F359-F373 AromaticContact CZ-CE1 3.97Å; F359-F373 HydrophobicContact CZ-CE1 3.97Å; F359-F373 AromaticContact CZ-CZ 3.96Å; F359-F373 HydrophobicContact CZ-CZ 3.96Å; F359-A457 HydrophobicContact CD2-CB 3.95Å; F359-A457 HydrophobicContact CE2-CB 3.68Å; F359-P458 WeakPolarHBondContact CB-O 3.44Å; F359-P458 PolarHBondContact N-O 3.33Å; F359-V459 HydrophobicContact CB-CB 4.43Å; F359-V459 HydrophobicContact CB-CG2 3.99Å; F359-V459 CarbonylContact O-C 3.47Å; F359-V459 WeakPolarHBondContact O-CA 3.27Å; F359-I460 PolarHBondContact O-N 2.94Å
360	L	98.6	Very high	96.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.9	174.8	-63.8	168.2	0	0	0	106.9	P325 F326 I327 V328 I460 F462 I471 A472	P325-L360 HydrophobicContact CB-CD1 4.23Å; F326-L360 PolarHBondContact O-N 2.9Å; I327-L360 CarbonylContact C-O 3.55Å; I327-L360 VanDerWaalsContact CA-O 3.27Å; I327-L360 WeakPolarHBondContact CA-O 3.28Å; I327-L360 HydrophobicContact CB-CB 4.44Å; I327-L360 HydrophobicContact CD1-CD1 4.39Å; I327-L360 HydrophobicContact CG1-CB 4.12Å; I327-L360 HydrophobicContact CG1-CD1 3.88Å; I327-L360 HydrophobicContact CG2-CB 4.33Å; V328-L360 PolarHBondContact N-O 3.35Å; L360-I460 WeakPolarHBondContact CA-O 3.28Å; L360-I460 HydrophobicContact CD2-CB 3.89Å; L360-I460 HydrophobicContact CD2-CD1 4.06Å; L360-I460 HydrophobicContact CD2-CG2 4.02Å; L360-F462 VanDerWaalsContact C-CE1 3.49Å; L360-F462 HydrophobicContact CB-CD1 3.89Å; L360-F462 HydrophobicContact CB-CE1 4.05Å; L360-F462 WeakPolarHBondContact O-CE1 3.15Å; L360-I471 HydrophobicContact CD1-CB 4.32Å; L360-I471 HydrophobicContact CD1-CG2 4.02Å; L360-I471 HydrophobicContact CD2-CB 4.14Å; L360-I471 HydrophobicContact CD2-CD1 4.19Å; L360-I471 HydrophobicContact CD2-CG2 3.44Å; L360-I471 VanDerWaalsContact CD2-CG2 3.44Å; L360-I471 HydrophobicContact CG-CG2 4.37Å; L360-A472 HydrophobicContact CD1-CB 4.05Å
361	V	98.8	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.6	-174.2	-171.8	0	0	0	0	110	V328 F359 I365 H366 F369 V459 I460 K461 F462	V328-V361 HydrophobicContact CB-CG1 4.12Å; V328-V361 HydrophobicContact CB-CG2 4.27Å; V328-V361 HydrophobicContact CG1-CG1 4.44Å; V328-V361 HydrophobicContact CG2-CG2 4.33Å; F359-V361 HydrophobicContact CB-CG2 4.39Å; V361-I365 HydrophobicContact CG1-CG2 3.88Å; V361-H366 HydrophobicContact CG1-CB 4.19Å; V361-F369 HydrophobicContact CB-CD1 4.49Å; V361-F369 HydrophobicContact CG1-CB 4Å; V361-F369 HydrophobicContact CG1-CD1 4.07Å; V361-F369 HydrophobicContact CG1-CG 4.14Å; V361-F369 HydrophobicContact CG2-CD1 3.65Å; V361-F369 HydrophobicContact CG2-CE1 3.79Å; V361-F369 HydrophobicContact CG2-CG 4.4Å; V361-V459 HydrophobicContact CB-CG1 4.2Å; V361-V459 HydrophobicContact CG2-CG1 3.75Å; V361-I460 PolarHBondContact N-O 2.89Å; V361-K461 WeakPolarHBondContact O-CA 3.47Å; V361-F462 VanDerWaalsContact C-CD1 3.5Å; V361-F462 VanDerWaalsContact C-CE1 3.44Å; V361-F462 PolarHBondContact O-N 3.33Å
362	Q	98.8	Very high	96.5	Very high	28 Å²	28	29.2 Å²	29.2	13%	0.131	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	146.9	-174.7	-162.1	166.4	15.5	0	0	111.4	V328 D330 G364 I365 H366 F462 D463	V328-Q362 PolarHBondContact O-N 2.81Å; D330-Q362 WeakPolarHBondContact OD1-CB 3.48Å; D330-Q362 VanDerWaalsContact OD2-CD 3.28Å; D330-Q362 WeakPolarHBondContact OD2-CG 3.37Å; D330-Q362 PolarHBondContact OD2-OE1 2.79Å; Q362-G364 VanDerWaalsContact C-N 3.29Å; Q362-G364 PolarHBondContact O-N 2.85Å; Q362-G364 VanDerWaalsContact O-N 3.17Å; Q362-I365 HydrophobicContact CB-CG2 4.32Å; Q362-I365 WeakPolarHBondContact O-CG2 3.34Å; Q362-I365 PolarHBondContact O-N 2.81Å; Q362-H366 WeakPolarHBondContact O-CB 3.41Å; Q362-H366 PolarHBondContact O-N 3.4Å; Q362-F462 CarbonylContact C-O 3.58Å; Q362-F462 WeakPolarHBondContact CA-O 3.2Å; Q362-F462 HydrophobicContact CB-CD2 4.33Å; Q362-F462 HydrophobicContact CB-CE1 3.96Å; Q362-F462 HydrophobicContact CB-CE2 3.66Å; Q362-F462 HydrophobicContact CB-CZ 3.46Å; Q362-F462 VanDerWaalsContact CB-CZ 3.46Å; Q362-F462 HydrophobicContact CG-CD2 4.12Å; Q362-F462 HydrophobicContact CG-CE2 3.58Å; Q362-F462 HydrophobicContact CG-CZ 3.95Å; Q362-D463 PolarHBondContact NE2-O 3.27Å
363	R	98.6	Very high	96.8	Very high	149 Å²	149	29.2 Å²	29.2	56%	0.562	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-41.8	-173.9	-178	-178.5	-60.8	-109.8	0.2	114.2	K461 F462 D463	R363-K461 HydrophobicContact CG-CD 4.46Å; R363-F462 PolarHBondContact N-O 2.91Å; R363-D463 IonicContact CZ-OD1 3.14Å; R363-D463 IonicContact CZ-OD2 2.74Å; R363-D463 IonicContact NE-OD1 2.69Å; R363-D463 PolarHBondContact NE-OD1 3.39Å; R363-D463 IonicContact NE-OD2 2.67Å; R363-D463 VanDerWaalsContact NH2-CG 3.26Å; R363-D463 IonicContact NH2-OD1 2.76Å; R363-D463 PolarHBondContact NH2-OD1 3Å; R363-D463 IonicContact NH2-OD2 3.84Å; R363-D463 PolarHBondContact NH2-OD2 2.85Å
364	G	98.6	Very high	97.2	Very high	65 Å²	65	29.6 Å²	29.6	67%	0.67	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-35.4	-174.5	0	0	0	0	0	113.6	D330 Q362	D330-G364 WeakPolarHBondContact OD1-CA 3.45Å; D330-G364 PolarHBondContact OD1-N 3.31Å; Q362-G364 VanDerWaalsContact C-N 3.29Å; Q362-G364 PolarHBondContact O-N 2.85Å; Q362-G364 VanDerWaalsContact O-N 3.17Å
365	I	98.5	Very high	97.5	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.067	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-10.6	-178	-162.4	162.4	0	0	0	114.1	V328 D330 A332 V334 V361 Q362 D367 A368 F369	V328-I365 HydrophobicContact CG1-CD1 4.33Å; V328-I365 HydrophobicContact CG1-CG2 4.16Å; D330-I365 PolarHBondContact OD1-N 3.09Å; A332-I365 HydrophobicContact CB-CD1 4.12Å; A332-I365 WeakPolarHBondContact O-CD1 3.39Å; V334-I365 HydrophobicContact CG2-CD1 3.55Å; V334-I365 HydrophobicContact CG2-CG1 3.67Å; V361-I365 HydrophobicContact CG1-CG2 3.88Å; Q362-I365 HydrophobicContact CB-CG2 4.32Å; Q362-I365 WeakPolarHBondContact O-CG2 3.34Å; Q362-I365 PolarHBondContact O-N 2.81Å; I365-D367 PolarHBondContact O-N 2.95Å; I365-A368 PolarHBondContact O-N 2.98Å; I365-F369 PolarHBondContact O-N 3.42Å
366	H	98.7	Very high	97.8	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.023	20%	0.197	C	C	.	.	H	α-helix	trans	-48.7	-58	-171.6	177.2	-83.5	0	0	0	114.6	V361 Q362 A368 F369 V370 K461	V361-H366 HydrophobicContact CG1-CB 4.19Å; Q362-H366 WeakPolarHBondContact O-CB 3.41Å; Q362-H366 PolarHBondContact O-N 3.4Å; H366-A368 VanDerWaalsContact C-N 3.32Å; H366-A368 PolarHBondContact O-N 3.02Å; H366-F369 PolarHBondContact O-N 2.9Å; H366-V370 WeakPolarHBondContact O-CG2 3.45Å; H366-V370 PolarHBondContact O-N 3.35Å; H366-K461 WeakPolarHBondContact CD2-CE 3.28Å; H366-K461 VanDerWaalsContact ND1-CE 3.33Å; H366-K461 WeakPolarHBondContact ND1-CE 3.5Å
367	D	98.3	Very high	98	Very high	114 Å²	114	35.4 Å²	35.4	61%	0.61	20%	0.198	S	C	*	.	H	α-helix	trans	-68.8	-35.3	-171.9	-65.3	-7.6	0	0	0	111.6	I365 K371	I365-D367 PolarHBondContact O-N 2.95Å; D367-K371 VanDerWaalsContact O-CB 3.31Å; D367-K371 WeakPolarHBondContact O-CB 3.26Å; D367-K371 PolarHBondContact O-N 3.39Å; D367-K371 VanDerWaalsContact O-N 3.12Å
368	A	98.6	Very high	98.3	Very high	55 Å²	55	44.2 Å²	44.2	46%	0.455	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-45.8	174.9	0	0	0	0	0	111.3	I365 H366 A372	I365-A368 PolarHBondContact O-N 2.98Å; H366-A368 VanDerWaalsContact C-N 3.32Å; H366-A368 PolarHBondContact O-N 3.02Å; A368-A372 VanDerWaalsContact O-CB 3.3Å; A368-A372 WeakPolarHBondContact O-CB 3.3Å; A368-A372 PolarHBondContact O-N 3.03Å
369	F	98.8	Very high	98.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-50.7	177.4	176.5	-93.4	0	0	0	112	F326 V328 A337 V338 A341 F359 V361 I365 H366 K371 A372 F373	F326-F369 HydrophobicContact CE1-CZ 4.47Å; V328-F369 HydrophobicContact CG1-CD2 4.19Å; V328-F369 HydrophobicContact CG2-CD2 4.23Å; V328-F369 HydrophobicContact CG2-CE2 3.89Å; V328-F369 HydrophobicContact CG2-CZ 4.14Å; A337-F369 HydrophobicContact CB-CD2 4.17Å; A337-F369 HydrophobicContact CB-CE2 3.94Å; V338-F369 HydrophobicContact CG2-CD2 3.78Å; V338-F369 HydrophobicContact CG2-CE2 3.81Å; A341-F369 HydrophobicContact CB-CE2 4.41Å; A341-F369 HydrophobicContact CB-CZ 3.97Å; F359-F369 HydrophobicContact CD1-CE1 4.35Å; F359-F369 HydrophobicContact CD1-CZ 4.14Å; V361-F369 HydrophobicContact CB-CD1 4.49Å; V361-F369 HydrophobicContact CG1-CB 4Å; V361-F369 HydrophobicContact CG1-CD1 4.07Å; V361-F369 HydrophobicContact CG1-CG 4.14Å; V361-F369 HydrophobicContact CG2-CD1 3.65Å; V361-F369 HydrophobicContact CG2-CE1 3.79Å; V361-F369 HydrophobicContact CG2-CG 4.4Å; I365-F369 PolarHBondContact O-N 3.42Å; H366-F369 PolarHBondContact O-N 2.9Å; F369-K371 VanDerWaalsContact C-N 3.31Å; F369-K371 PolarHBondContact O-N 2.85Å; F369-A372 PolarHBondContact O-N 3.35Å; F369-F373 HydrophobicContact CE1-CB 4.38Å; F369-F373 AromaticContact CE1-CD1 3.84Å; F369-F373 HydrophobicContact CE1-CD1 3.84Å; F369-F373 HydrophobicContact CE1-CG 4.42Å; F369-F373 HydrophobicContact CZ-CD1 4.02Å; F369-F373 HydrophobicContact CZ-CG 4.38Å; F369-F373 VanDerWaalsContact O-CB 3.24Å; F369-F373 WeakPolarHBondContact O-CB 3.47Å; F369-F373 PolarHBondContact O-N 2.94Å
370	V	98.8	Very high	98.6	Very high	12 Å²	12	56.3 Å²	56.3	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-43.3	-178.1	171.4	0	0	0	0	111.1	H366 F373 A374 V420 L437 C439 V459	H366-V370 WeakPolarHBondContact O-CG2 3.45Å; H366-V370 PolarHBondContact O-N 3.35Å; V370-F373 PolarHBondContact O-N 3.16Å; V370-A374 WeakPolarHBondContact O-CB 3.27Å; V370-A374 PolarHBondContact O-N 3.04Å; V370-V420 HydrophobicContact CG1-CG1 4.37Å; V370-V420 HydrophobicContact CG1-CG2 4.05Å; V370-L437 HydrophobicContact CG1-CD2 4.3Å; V370-C439 HydrophobicContact CG1-CB 4.35Å; V370-V459 HydrophobicContact CG2-CB 4.45Å; V370-V459 HydrophobicContact CG2-CG1 3.94Å; V370-V459 HydrophobicContact CG2-CG2 4.36Å
371	K	98.7	Very high	98.6	Very high	128 Å²	128	57.9 Å²	57.9	56%	0.557	30%	0.301	S	S	*	.	H	α-helix	trans	-62.5	-51.8	176.7	-179	177.2	177.5	-67.3	0	111.6	D367 F369 F373 A374 E375	D367-K371 VanDerWaalsContact O-CB 3.31Å; D367-K371 WeakPolarHBondContact O-CB 3.26Å; D367-K371 PolarHBondContact O-N 3.39Å; D367-K371 VanDerWaalsContact O-N 3.12Å; F369-K371 VanDerWaalsContact C-N 3.31Å; F369-K371 PolarHBondContact O-N 2.85Å; K371-F373 VanDerWaalsContact C-N 3.29Å; K371-F373 PolarHBondContact O-N 3.21Å; K371-A374 PolarHBondContact O-N 3.27Å; K371-E375 WeakPolarHBondContact CE-OE1 3.17Å; K371-E375 IonicContact NZ-OE1 3.83Å; K371-E375 PolarHBondContact NZ-OE1 3.33Å; K371-E375 IonicContact NZ-OE2 3.08Å; K371-E375 WeakPolarHBondContact O-CG 3.31Å; K371-E375 PolarHBondContact O-N 2.91Å
372	A	98.8	Very high	98.6	Very high	23 Å²	23	64.5 Å²	64.5	19%	0.19	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-36.7	-179.7	0	0	0	0	0	112	V334 V338 A368 F369 E375 A376	V334-A372 HydrophobicContact CG1-CB 4.04Å; V338-A372 HydrophobicContact CG2-CB 3.88Å; A368-A372 VanDerWaalsContact O-CB 3.3Å; A368-A372 WeakPolarHBondContact O-CB 3.3Å; A368-A372 PolarHBondContact O-N 3.03Å; F369-A372 PolarHBondContact O-N 3.35Å; A372-E375 PolarHBondContact O-N 3.2Å; A372-A376 WeakPolarHBondContact O-CB 3.38Å; A372-A376 PolarHBondContact O-N 2.84Å
373	F	98.8	Very high	98.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-45.6	177.5	-167.9	-163.4	0	0	0	111.7	V338 A341 M342 F346 F359 F369 V370 K371 E375 A376 M377 L437 A457	V338-F373 HydrophobicContact CG1-CD2 4.31Å; V338-F373 HydrophobicContact CG2-CB 4.22Å; A341-F373 HydrophobicContact CB-CD2 4.23Å; A341-F373 HydrophobicContact CB-CE1 4.1Å; A341-F373 HydrophobicContact CB-CE2 3.7Å; A341-F373 HydrophobicContact CB-CZ 3.65Å; M342-F373 HydrophobicContact CG-CD2 4.23Å; M342-F373 HydrophobicContact CG-CE2 4.02Å; M342-F373 HydrophobicContact SD-CD2 3.8Å; M342-F373 HydrophobicContact SD-CE2 3.54Å; M342-F373 VanDerWaalsContact SD-CE2 3.54Å; F346-F373 HydrophobicContact CD2-CE2 4.36Å; F346-F373 AromaticContact CE2-CE2 3.61Å; F346-F373 HydrophobicContact CE2-CE2 3.61Å; F346-F373 AromaticContact CE2-CZ 3.61Å; F346-F373 HydrophobicContact CE2-CZ 3.61Å; F346-F373 HydrophobicContact CZ-CZ 4.29Å; F359-F373 HydrophobicContact CD1-CE1 4.39Å; F359-F373 HydrophobicContact CE1-CE1 4.09Å; F359-F373 HydrophobicContact CE1-CZ 4.3Å; F359-F373 HydrophobicContact CE2-CE1 4.19Å; F359-F373 HydrophobicContact CE2-CZ 4.43Å; F359-F373 AromaticContact CZ-CE1 3.97Å; F359-F373 HydrophobicContact CZ-CE1 3.97Å; F359-F373 AromaticContact CZ-CZ 3.96Å; F359-F373 HydrophobicContact CZ-CZ 3.96Å; F369-F373 HydrophobicContact CE1-CB 4.38Å; F369-F373 AromaticContact CE1-CD1 3.84Å; F369-F373 HydrophobicContact CE1-CD1 3.84Å; F369-F373 HydrophobicContact CE1-CG 4.42Å; F369-F373 HydrophobicContact CZ-CD1 4.02Å; F369-F373 HydrophobicContact CZ-CG 4.38Å; F369-F373 VanDerWaalsContact O-CB 3.24Å; F369-F373 WeakPolarHBondContact O-CB 3.47Å; F369-F373 PolarHBondContact O-N 2.94Å; V370-F373 PolarHBondContact O-N 3.16Å; K371-F373 VanDerWaalsContact C-N 3.29Å; K371-F373 PolarHBondContact O-N 3.21Å; F373-E375 VanDerWaalsContact C-N 3.34Å; F373-E375 PolarHBondContact O-N 2.92Å; F373-A376 PolarHBondContact O-N 3.45Å; F373-M377 HydrophobicContact CD2-CG 4.13Å; F373-M377 HydrophobicContact CD2-SD 4.31Å; F373-M377 HydrophobicContact CE2-CG 4.16Å; F373-M377 HydrophobicContact CE2-SD 4.31Å; F373-M377 VanDerWaalsContact O-CG 3.28Å; F373-M377 WeakPolarHBondContact O-CG 3.41Å; F373-M377 PolarHBondContact O-N 2.88Å; F373-L437 HydrophobicContact CB-CD2 4.39Å; F373-L437 HydrophobicContact CD1-CD1 3.56Å; F373-L437 HydrophobicContact CD1-CD2 4.2Å; F373-L437 HydrophobicContact CE1-CD1 3.73Å; F373-L437 HydrophobicContact CG-CD2 4.46Å; F373-A457 HydrophobicContact CE1-CB 3.91Å; F373-A457 HydrophobicContact CZ-CB 4.26Å
374	A	98.8	Very high	98.5	Very high	17 Å²	17	57.3 Å²	57.3	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-41.9	175	0	0	0	0	0	112.4	V370 K371 M377 K378 V420 L437	V370-A374 WeakPolarHBondContact O-CB 3.27Å; V370-A374 PolarHBondContact O-N 3.04Å; K371-A374 PolarHBondContact O-N 3.27Å; A374-M377 PolarHBondContact O-N 2.74Å; A374-K378 PolarHBondContact O-N 2.98Å; A374-V420 HydrophobicContact CB-CG1 3.75Å; A374-L437 HydrophobicContact CB-CD2 3.89Å
375	E	98.7	Very high	98.5	Very high	104 Å²	104	54.9 Å²	54.9	49%	0.486	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-43.6	176.2	-73.4	173.5	-176.2	0	0	111.8	K371 A372 F373 K378 K379	K371-E375 WeakPolarHBondContact CE-OE1 3.17Å; K371-E375 IonicContact NZ-OE1 3.83Å; K371-E375 PolarHBondContact NZ-OE1 3.33Å; K371-E375 IonicContact NZ-OE2 3.08Å; K371-E375 WeakPolarHBondContact O-CG 3.31Å; K371-E375 PolarHBondContact O-N 2.91Å; A372-E375 PolarHBondContact O-N 3.2Å; F373-E375 VanDerWaalsContact C-N 3.34Å; F373-E375 PolarHBondContact O-N 2.92Å; E375-K378 PolarHBondContact O-N 2.82Å; E375-K379 WeakPolarHBondContact O-CB 3.04Å; E375-K379 PolarHBondContact O-N 3.07Å
376	A	98.7	Very high	98.4	Very high	17 Å²	17	54.4 Å²	54.4	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-41.3	175.9	0	0	0	0	0	112.2	V338 M342 A372 F373 K379 N380	V338-A376 HydrophobicContact CG1-CB 3.58Å; M342-A376 HydrophobicContact CG-CB 4Å; M342-A376 HydrophobicContact SD-CB 3.99Å; A372-A376 WeakPolarHBondContact O-CB 3.38Å; A372-A376 PolarHBondContact O-N 2.84Å; F373-A376 PolarHBondContact O-N 3.45Å; A376-K379 PolarHBondContact O-N 3.31Å; A376-N380 WeakPolarHBondContact O-CB 3.31Å; A376-N380 PolarHBondContact O-N 3.06Å; A376-N380 PolarHBondContact O-ND2 3.36Å
377	M	98.7	Very high	98.2	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-50.7	174.3	-72.8	171.9	63.7	0	0	111.1	M342 F346 F373 A374 K379 N380 L381 T421 P435 L437	M342-M377 HydrophobicContact CE-CG 4.38Å; M342-M377 HydrophobicContact SD-CB 4.46Å; M342-M377 HydrophobicContact SD-CG 3.68Å; F346-M377 HydrophobicContact CD2-CG 4.47Å; F346-M377 HydrophobicContact CE1-CE 4.02Å; F346-M377 HydrophobicContact CE2-CE 4.14Å; F346-M377 HydrophobicContact CE2-CG 3.62Å; F346-M377 HydrophobicContact CE2-SD 3.82Å; F346-M377 HydrophobicContact CZ-CE 3.41Å; F346-M377 VanDerWaalsContact CZ-CE 3.41Å; F346-M377 HydrophobicContact CZ-CG 3.92Å; F346-M377 HydrophobicContact CZ-SD 3.62Å; F373-M377 HydrophobicContact CD2-CG 4.13Å; F373-M377 HydrophobicContact CD2-SD 4.31Å; F373-M377 HydrophobicContact CE2-CG 4.16Å; F373-M377 HydrophobicContact CE2-SD 4.31Å; F373-M377 VanDerWaalsContact O-CG 3.28Å; F373-M377 WeakPolarHBondContact O-CG 3.41Å; F373-M377 PolarHBondContact O-N 2.88Å; A374-M377 PolarHBondContact O-N 2.74Å; M377-K379 VanDerWaalsContact C-N 3.29Å; M377-K379 PolarHBondContact O-N 3.42Å; M377-N380 PolarHBondContact O-N 3.14Å; M377-L381 HydrophobicContact CB-CD1 3.98Å; M377-L381 HydrophobicContact CE-CD1 4.49Å; M377-L381 HydrophobicContact CG-CD1 3.95Å; M377-L381 VanDerWaalsContact O-CB 3.26Å; M377-L381 WeakPolarHBondContact O-CB 3.36Å; M377-L381 WeakPolarHBondContact O-CG 3.35Å; M377-L381 PolarHBondContact O-N 3.34Å; M377-T421 HydrophobicContact CE-CG2 3.52Å; M377-T421 HydrophobicContact SD-CG2 4.15Å; M377-P435 HydrophobicContact CE-CB 3.86Å; M377-P435 WeakPolarHBondContact CE-O 3.46Å; M377-L437 HydrophobicContact CE-CB 4.01Å; M377-L437 HydrophobicContact SD-CB 3.78Å; M377-L437 HydrophobicContact SD-CD2 4.19Å; M377-L437 HydrophobicContact SD-CG 4.41Å
378	K	98.2	Very high	98.1	Very high	186 Å²	186	55.4 Å²	55.4	81%	0.809	27%	0.272	S	S	*	.	H	α-helix	trans	-60.6	-38	179.2	-176.5	179	179.4	-179.8	0	112.7	A374 E375	A374-K378 PolarHBondContact O-N 2.98Å; E375-K378 PolarHBondContact O-N 2.82Å
379	K	98	Very high	97.9	Very high	179 Å²	179	61.5 Å²	61.5	78%	0.778	29%	0.291	S	S	*	.	H	α-helix	trans	-75.1	-38.3	-176.9	-174.5	-179.9	176.5	-178.2	0	113.1	E375 A376 M377	E375-K379 WeakPolarHBondContact O-CB 3.04Å; E375-K379 PolarHBondContact O-N 3.07Å; A376-K379 PolarHBondContact O-N 3.31Å; M377-K379 VanDerWaalsContact C-N 3.29Å; M377-K379 PolarHBondContact O-N 3.42Å
380	N	98.1	Very high	97.8	Very high	83 Å²	83	63.7 Å²	63.7	44%	0.444	31%	0.314	S	S	.	.	H	α-helix	trans	-113.1	-20	-163.5	-55.9	-45.8	0	0	0	114.1	M342 A376 M377 T392	M342-N380 HydrophobicContact CE-CB 4.08Å; A376-N380 WeakPolarHBondContact O-CB 3.31Å; A376-N380 PolarHBondContact O-N 3.06Å; A376-N380 PolarHBondContact O-ND2 3.36Å; M377-N380 PolarHBondContact O-N 3.14Å; N380-T392 PolarHBondContact O-OG1 3.22Å
381	L	98.4	Very high	97.8	Very high	32 Å²	32	63.7 Å²	63.7	17%	0.168	31%	0.313	C	S	.	.			trans	-91.1	117.1	-178.5	-56.1	-177.3	0	0	0	111.1	M342 F346 M377 T392 Q393 P435	M342-L381 HydrophobicContact CE-CD1 4.13Å; M342-L381 HydrophobicContact CE-CD2 3.63Å; M342-L381 HydrophobicContact CE-CG 3.71Å; F346-L381 HydrophobicContact CB-CD1 4.24Å; F346-L381 HydrophobicContact CB-CD2 3.9Å; F346-L381 HydrophobicContact CD1-CD1 3.74Å; F346-L381 HydrophobicContact CD2-CD1 3.77Å; F346-L381 HydrophobicContact CD2-CD2 4.48Å; F346-L381 HydrophobicContact CE1-CD1 4.01Å; F346-L381 HydrophobicContact CE2-CD1 4.02Å; F346-L381 HydrophobicContact CG-CD1 3.63Å; F346-L381 HydrophobicContact CG-CD2 4.19Å; F346-L381 HydrophobicContact CZ-CD1 4.16Å; M377-L381 HydrophobicContact CB-CD1 3.98Å; M377-L381 HydrophobicContact CE-CD1 4.49Å; M377-L381 HydrophobicContact CG-CD1 3.95Å; M377-L381 VanDerWaalsContact O-CB 3.26Å; M377-L381 WeakPolarHBondContact O-CB 3.36Å; M377-L381 WeakPolarHBondContact O-CG 3.35Å; M377-L381 PolarHBondContact O-N 3.34Å; L381-T392 VanDerWaalsContact CA-OG1 3.31Å; L381-T392 WeakPolarHBondContact CA-OG1 3.28Å; L381-Q393 HydrophobicContact CB-CG 4Å; L381-Q393 HydrophobicContact CD2-CG 4.04Å; L381-Q393 HydrophobicContact CG-CG 4.4Å; L381-P435 HydrophobicContact CB-CG 4.09Å; L381-P435 HydrophobicContact CD1-CB 3.44Å; L381-P435 VanDerWaalsContact CD1-CB 3.44Å; L381-P435 HydrophobicContact CD1-CG 3.76Å
382	R	98.5	Very high	97.8	Very high	139 Å²	139	60 Å²	60	53%	0.525	30%	0.302	S	S	.	.			trans	-122.7	107.6	177.8	-170.3	178.5	-179.1	-156.8	-5.3	108.6	E389 G390 T392 Q393	R382-E389 PolarHBondContact NH1-O 2.75Å; R382-G390 WeakPolarHBondContact CD-O 3.48Å; R382-T392 PolarHBondContact N-OG1 2.9Å; R382-T392 PolarHBondContact O-N 2.99Å; R382-Q393 PolarHBondContact O-N 2.78Å
383	V	98.8	Very high	97.8	Very high	24 Å²	24	59.1 Å²	59.1	15%	0.145	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-74.9	127.1	176.2	-174.1	0	0	0	0	109	Q393 H426 L428 F432 P435	V383-Q393 WeakPolarHBondContact CA-O 3.32Å; V383-Q393 HydrophobicContact CG2-CB 4.04Å; V383-H426 HydrophobicContact CG1-CB 4.31Å; V383-L428 HydrophobicContact CG1-CD1 4.39Å; V383-F432 HydrophobicContact CG1-CB 4.09Å; V383-F432 HydrophobicContact CG1-CD1 3.48Å; V383-F432 VanDerWaalsContact CG1-CD1 3.48Å; V383-F432 HydrophobicContact CG1-CE1 4.27Å; V383-F432 HydrophobicContact CG1-CG 4.14Å; V383-P435 HydrophobicContact CG2-CG 4.18Å
384	G	97.9	Very high	97.7	Very high	3 Å²	3	59.2 Å²	59.2	3%	0.031	30%	0.295	C	S	.	.	S	Bend	trans	-176.4	178.5	-176.4	0	0	0	0	0	112.9	T391 Q393 F432	G384-T391 WeakPolarHBondContact O-CG2 3.49Å; G384-Q393 PolarHBondContact N-O 2.79Å; G384-F432 VanDerWaalsContact O-CE1 3.23Å; G384-F432 WeakPolarHBondContact O-CE1 3.18Å
385	N	97.2	Very high	97.7	Very high	14 Å²	14	58.4 Å²	58.4	8%	0.075	29%	0.288	C	S	.	.			trans	-67.5	140	174.4	-176.4	-76.6	0	0	0	109.8	A82 F387 E388 T391	A82-N385 WeakPolarHBondContact CB-ND2 3.48Å; N385-F387 PolarHBondContact O-N 3.03Å; N385-F387 VanDerWaalsContact O-N 3.09Å; N385-F387 WeakPolarHBondContact OD1-CB 3.39Å; N385-F387 WeakPolarHBondContact OD1-CD2 3.46Å; N385-F387 PolarHBondContact OD1-N 3.23Å; N385-E388 HydrophobicContact CB-CG 4.03Å; N385-E388 PolarHBondContact N-OE2 3.4Å; N385-E388 WeakPolarHBondContact O-CB 3.37Å; N385-E388 PolarHBondContact O-N 3.2Å; N385-T391 WeakPolarHBondContact O-CB 3.45Å; N385-T391 WeakPolarHBondContact O-CG2 3.09Å; N385-T391 PolarHBondContact O-OG1 3.21Å
386	G	96.8	Very high	97.7	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.031	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-20	-175.7	0	0	0	0	0	115.1	L150	L150-G386 WeakPolarHBondContact CB-O 3.38Å; L150-G386 PolarHBondContact N-O 2.9Å
387	F	95.7	Very high	97.7	Very high	49 Å²	49	53.2 Å²	53.2	22%	0.215	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.6	174.3	-67.5	-75	0	0	0	114.2	R140 T143 A144 N385	R140-F387 HydrophobicContact CB-CE1 4.02Å; R140-F387 HydrophobicContact CG-CE1 4.02Å; R140-F387 WeakPolarHBondContact O-CZ 3.45Å; T143-F387 HydrophobicContact CG2-CD1 4.07Å; T143-F387 HydrophobicContact CG2-CD2 3.81Å; T143-F387 HydrophobicContact CG2-CE1 3.94Å; T143-F387 HydrophobicContact CG2-CE2 3.67Å; T143-F387 HydrophobicContact CG2-CG 4.01Å; T143-F387 HydrophobicContact CG2-CZ 3.74Å; A144-F387 HydrophobicContact CB-CE2 4.19Å; A144-F387 HydrophobicContact CB-CZ 4.03Å; N385-F387 PolarHBondContact O-N 3.03Å; N385-F387 VanDerWaalsContact O-N 3.09Å; N385-F387 WeakPolarHBondContact OD1-CB 3.39Å; N385-F387 WeakPolarHBondContact OD1-CD2 3.46Å; N385-F387 PolarHBondContact OD1-N 3.23Å
388	E	96.2	Very high	97.6	Very high	91 Å²	91	54.8 Å²	54.8	43%	0.425	27%	0.27	S	S	.	.	S	Bend	trans	-79.7	135.9	179.8	-71.8	166.8	-170.6	0	0	110.9	N385 G390 T391	N385-E388 HydrophobicContact CB-CG 4.03Å; N385-E388 PolarHBondContact N-OE2 3.4Å; N385-E388 WeakPolarHBondContact O-CB 3.37Å; N385-E388 PolarHBondContact O-N 3.2Å; E388-G390 PolarHBondContact O-N 3.09Å; E388-T391 WeakPolarHBondContact O-CB 3.46Å; E388-T391 PolarHBondContact O-N 3.35Å; E388-T391 PolarHBondContact O-OG1 3.39Å
389	E	94.3	Very high	97.6	Very high	183 Å²	183	49.2 Å²	49.2	86%	0.855	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	131.6	179.8	-174	176.2	-167.2	0	0	111.2	R382 T391	R382-E389 PolarHBondContact NH1-O 2.75Å; E389-T391 VanDerWaalsContact C-N 3.27Å; E389-T391 PolarHBondContact O-N 3Å
390	G	96.1	Very high	97.5	Very high	46 Å²	46	48 Å²	48	47%	0.474	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	1.8	-179.8	0	0	0	0	0	114.6	R382 E388 T392	R382-G390 WeakPolarHBondContact CD-O 3.48Å; E388-G390 PolarHBondContact O-N 3.09Å; G390-T392 PolarHBondContact O-N 3.35Å
391	T	98.3	Very high	97.5	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.067	23%	0.227	C	C	.	.			trans	-61.4	129.6	167	-66.1	0	0	0	0	109.7	P149 G384 N385 E388 E389 Q393	P149-T391 HydrophobicContact CG-CG2 4.27Å; G384-T391 WeakPolarHBondContact O-CG2 3.49Å; N385-T391 WeakPolarHBondContact O-CB 3.45Å; N385-T391 WeakPolarHBondContact O-CG2 3.09Å; N385-T391 PolarHBondContact O-OG1 3.21Å; E388-T391 WeakPolarHBondContact O-CB 3.46Å; E388-T391 PolarHBondContact O-N 3.35Å; E388-T391 PolarHBondContact O-OG1 3.39Å; E389-T391 VanDerWaalsContact C-N 3.27Å; E389-T391 PolarHBondContact O-N 3Å; T391-Q393 WeakPolarHBondContact CG2-O 3.46Å
392	T	98.3	Very high	97.5	Very high	52 Å²	52	43.4 Å²	43.4	32%	0.319	22%	0.219	S	C	.	.			trans	-121.6	-10.5	175.1	55.9	0	0	0	0	112.6	N380 L381 R382 G390	N380-T392 PolarHBondContact O-OG1 3.22Å; L381-T392 VanDerWaalsContact CA-OG1 3.31Å; L381-T392 WeakPolarHBondContact CA-OG1 3.28Å; R382-T392 PolarHBondContact N-OG1 2.9Å; R382-T392 PolarHBondContact O-N 2.99Å; G390-T392 PolarHBondContact O-N 3.35Å
393	Q	98.7	Very high	97.5	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.014	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-129.3	114.5	172.7	-64.6	-65.8	-81.9	0	0	110	F346 L381 R382 V383 G384 T391 P435	F346-Q393 PolarHBondContact O-NE2 3.39Å; L381-Q393 HydrophobicContact CB-CG 4Å; L381-Q393 HydrophobicContact CD2-CG 4.04Å; L381-Q393 HydrophobicContact CG-CG 4.4Å; R382-Q393 PolarHBondContact O-N 2.78Å; V383-Q393 WeakPolarHBondContact CA-O 3.32Å; V383-Q393 HydrophobicContact CG2-CB 4.04Å; G384-Q393 PolarHBondContact N-O 2.79Å; T391-Q393 WeakPolarHBondContact CG2-O 3.46Å; Q393-P435 HydrophobicContact CG-CG 3.93Å
394	G	98.4	Very high	97.4	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.021	23%	0.226	C	C	.	.			trans	-82.9	179.4	171.8	0	0	0	0	0	112.4	T349	T349-G394 WeakPolarHBondContact CG2-O 3.41Å; T349-G394 PolarHBondContact OG1-N 2.88Å; T349-G394 PolarHBondContact OG1-O 2.74Å
395	P	98.4	Very high	97.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.225	C	C	.	.			trans	-66.8	163.2	173.2	35.6	-40.6	0	0	0	111.5	P81 A82 G147 Q351 N431 F432	P81-P395 HydrophobicContact CB-CG 4.11Å; P81-P395 HydrophobicContact CG-CG 4.12Å; A82-P395 HydrophobicContact CB-CG 3.8Å; G147-P395 WeakPolarHBondContact O-CD 3.36Å; Q351-P395 PolarHBondContact NE2-O 2.84Å; P395-N431 HydrophobicContact CB-CB 3.96Å; P395-F432 HydrophobicContact CB-CD1 4Å; P395-F432 HydrophobicContact CB-CD2 4.44Å; P395-F432 HydrophobicContact CB-CE1 3.81Å; P395-F432 HydrophobicContact CB-CE2 4.26Å; P395-F432 HydrophobicContact CB-CG 4.33Å; P395-F432 HydrophobicContact CB-CZ 3.96Å; P395-F432 HydrophobicContact CG-CE1 4.27Å; P395-F432 HydrophobicContact CG-CZ 4.3Å
396	L	98.7	Very high	97.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.			trans	-70.1	157.2	158.6	-64.3	177.7	0	0	0	110.4	T349 Q351 N398 A401 V402 V405 N431 F433	T349-L396 HydrophobicContact CG2-CD2 4.26Å; Q351-L396 VanDerWaalsContact CD-CD2 3.42Å; Q351-L396 HydrophobicContact CG-CD2 3.75Å; Q351-L396 VanDerWaalsContact OE1-CA 3.25Å; L396-N398 VanDerWaalsContact C-N 3.3Å; L396-N398 PolarHBondContact O-N 2.95Å; L396-A401 HydrophobicContact CB-CB 3.98Å; L396-A401 HydrophobicContact CD1-CB 4.3Å; L396-V402 HydrophobicContact CB-CG2 4.32Å; L396-V402 HydrophobicContact CD1-CB 4.44Å; L396-V402 HydrophobicContact CD1-CG2 4.05Å; L396-V405 HydrophobicContact CD1-CG2 3.95Å; L396-N431 WeakPolarHBondContact CB-O 3.42Å; L396-N431 PolarHBondContact N-O 3.29Å; L396-N431 WeakPolarHBondContact O-CB 3.36Å; L396-F433 HydrophobicContact CD1-CB 4.18Å
397	I	98.2	Very high	97.5	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.062	26%	0.255	C	S	.	.	S	Bend	trans	-62	-34.2	-172.3	-167.3	62.2	0	0	0	113.7	W204 D232 T233 A401	W204-I397 HydrophobicContact CD2-CB 4.07Å; W204-I397 HydrophobicContact CD2-CD1 4.13Å; W204-I397 HydrophobicContact CD2-CG1 3.72Å; W204-I397 HydrophobicContact CD2-CG2 4.25Å; W204-I397 HydrophobicContact CE3-CB 3.84Å; W204-I397 HydrophobicContact CE3-CD1 3.71Å; W204-I397 HydrophobicContact CE3-CG1 3.69Å; W204-I397 HydrophobicContact CE3-CG2 4.42Å; W204-I397 HydrophobicContact CG-CG1 4.17Å; W204-I397 HydrophobicContact CH2-CB 3.67Å; W204-I397 HydrophobicContact CH2-CG1 4.4Å; W204-I397 HydrophobicContact CH2-CG2 3.65Å; W204-I397 HydrophobicContact CZ2-CB 3.92Å; W204-I397 HydrophobicContact CZ2-CG1 4.45Å; W204-I397 HydrophobicContact CZ2-CG2 3.46Å; W204-I397 VanDerWaalsContact CZ2-CG2 3.46Å; W204-I397 HydrophobicContact CZ3-CB 3.65Å; W204-I397 HydrophobicContact CZ3-CD1 4.2Å; W204-I397 HydrophobicContact CZ3-CG1 4.06Å; W204-I397 HydrophobicContact CZ3-CG2 4.15Å; D232-I397 HydrophobicContact CB-CD1 4.02Å; D232-I397 HydrophobicContact CB-CG1 3.97Å; T233-I397 HydrophobicContact CG2-CD1 4.42Å; I397-A401 HydrophobicContact CG2-CB 4.14Å
398	N	97.3	Very high	97.7	Very high	38 Å²	38	49 Å²	49	20%	0.203	25%	0.245	C	C	.	.	S	Bend	trans	-162.3	173.8	179.6	60.2	50.4	0	0	0	112.2	L396 K400 A401 V402	L396-N398 VanDerWaalsContact C-N 3.3Å; L396-N398 PolarHBondContact O-N 2.95Å; N398-K400 VanDerWaalsContact C-N 3.31Å; N398-K400 PolarHBondContact O-N 3.28Å; N398-K400 WeakPolarHBondContact OD1-CB 3.28Å; N398-K400 PolarHBondContact OD1-N 2.9Å; N398-K400 VanDerWaalsContact OD1-N 3.15Å; N398-A401 WeakPolarHBondContact O-CB 3.43Å; N398-A401 PolarHBondContact O-N 3.19Å; N398-A401 PolarHBondContact OD1-N 3.07Å; N398-A401 VanDerWaalsContact OD1-N 3.15Å; N398-V402 PolarHBondContact O-N 3.23Å
399	E	97	Very high	97.8	Very high	69 Å²	69	44.8 Å²	44.8	32%	0.322	23%	0.226	S	C	.	.	H	α-helix	trans	-56.6	-39.4	-179	-176.7	60.4	-154.5	0	0	113.2	A401 V402 E403 R425 N431	E399-A401 PolarHBondContact O-N 2.91Å; E399-V402 WeakPolarHBondContact O-CA 3.45Å; E399-V402 WeakPolarHBondContact O-CB 3.48Å; E399-V402 PolarHBondContact O-N 3.41Å; E399-E403 HydrophobicContact CG-CG 4.42Å; E399-E403 WeakPolarHBondContact O-CG 3.38Å; E399-E403 PolarHBondContact O-N 3.41Å; E399-R425 IonicContact OE1-CZ 2.64Å; E399-R425 IonicContact OE1-NH1 2.98Å; E399-R425 PolarHBondContact OE1-NH1 3.19Å; E399-R425 IonicContact OE1-NH2 2.89Å; E399-R425 PolarHBondContact OE1-NH2 3.38Å; E399-R425 IonicContact OE2-NH1 3.56Å; E399-R425 PolarHBondContact OE2-NH1 3.5Å; E399-N431 PolarHBondContact N-OD1 3.25Å
400	K	96.9	Very high	98	Very high	154 Å²	154	41 Å²	41	67%	0.67	21%	0.212	S	C	*	.	H	α-helix	trans	-63.6	-31.1	178.8	-64	-175.2	177.7	-176.1	0	112.4	N398 K404	N398-K400 VanDerWaalsContact C-N 3.31Å; N398-K400 PolarHBondContact O-N 3.28Å; N398-K400 WeakPolarHBondContact OD1-CB 3.28Å; N398-K400 PolarHBondContact OD1-N 2.9Å; N398-K400 VanDerWaalsContact OD1-N 3.15Å; K400-K404 WeakPolarHBondContact O-CB 3.3Å; K400-K404 PolarHBondContact O-N 3.17Å; K400-K404 VanDerWaalsContact O-N 3.08Å
401	A	97.7	Very high	98.1	Very high	17 Å²	17	40.3 Å²	40.3	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-68.3	-40	173.9	0	0	0	0	0	111	L396 I397 N398 E399 K404 V405	L396-A401 HydrophobicContact CB-CB 3.98Å; L396-A401 HydrophobicContact CD1-CB 4.3Å; I397-A401 HydrophobicContact CG2-CB 4.14Å; N398-A401 WeakPolarHBondContact O-CB 3.43Å; N398-A401 PolarHBondContact O-N 3.19Å; N398-A401 PolarHBondContact OD1-N 3.07Å; N398-A401 VanDerWaalsContact OD1-N 3.15Å; E399-A401 PolarHBondContact O-N 2.91Å; A401-K404 PolarHBondContact O-N 3.35Å; A401-V405 WeakPolarHBondContact O-CG2 3.35Å; A401-V405 PolarHBondContact O-N 3.47Å; A401-V405 VanDerWaalsContact O-N 3.16Å
402	V	98.1	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-52.1	173.8	-175.6	0	0	0	0	110.8	L396 N398 E399 K404 V405 E406 R425 N431 F433	L396-V402 HydrophobicContact CB-CG2 4.32Å; L396-V402 HydrophobicContact CD1-CB 4.44Å; L396-V402 HydrophobicContact CD1-CG2 4.05Å; N398-V402 PolarHBondContact O-N 3.23Å; E399-V402 WeakPolarHBondContact O-CA 3.45Å; E399-V402 WeakPolarHBondContact O-CB 3.48Å; E399-V402 PolarHBondContact O-N 3.41Å; V402-K404 PolarHBondContact O-N 2.53Å; V402-V405 PolarHBondContact O-N 2.92Å; V402-V405 VanDerWaalsContact O-N 3.1Å; V402-E406 HydrophobicContact CG1-CG 4.41Å; V402-E406 WeakPolarHBondContact O-CG 3.28Å; V402-E406 PolarHBondContact O-N 3.04Å; V402-R425 HydrophobicContact CG1-CG 4.03Å; V402-N431 HydrophobicContact CG2-CB 4.21Å; V402-F433 HydrophobicContact CG1-CD2 4.08Å
403	E	98	Very high	98.1	Very high	101 Å²	101	40.2 Å²	40.2	47%	0.472	20%	0.196	S	C	.	.	H	α-helix	trans	-55.6	-38.7	179	-69.2	170.5	172.4	0	0	111.8	E399 K407	E399-E403 HydrophobicContact CG-CG 4.42Å; E399-E403 WeakPolarHBondContact O-CG 3.38Å; E399-E403 PolarHBondContact O-N 3.41Å; E403-K407 VanDerWaalsContact O-CB 3.31Å; E403-K407 WeakPolarHBondContact O-CB 3.48Å; E403-K407 PolarHBondContact O-N 3.12Å
404	K	97.6	Very high	98.1	Very high	81 Å²	81	44.7 Å²	44.7	35%	0.352	23%	0.228	S	C	.	.	H	α-helix	trans	-65.5	-45.4	177.6	-173.8	175.5	178	-175.1	0	111.9	K400 A401 V402 K407 Q408 E451	K400-K404 WeakPolarHBondContact O-CB 3.3Å; K400-K404 PolarHBondContact O-N 3.17Å; K400-K404 VanDerWaalsContact O-N 3.08Å; A401-K404 PolarHBondContact O-N 3.35Å; V402-K404 PolarHBondContact O-N 2.53Å; K404-K407 PolarHBondContact O-N 3.01Å; K404-Q408 WeakPolarHBondContact O-CG 3.24Å; K404-Q408 PolarHBondContact O-N 3.39Å; K404-Q408 VanDerWaalsContact O-N 3.1Å; K404-E451 VanDerWaalsContact CE-O 3.29Å; K404-E451 WeakPolarHBondContact CE-O 3.28Å; K404-E451 PolarHBondContact NZ-O 3.43Å
405	V	98.2	Very high	98.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-44.6	177.4	178	0	0	0	0	110.4	L396 A401 V402 K407 Q408 V409 F433 L456	L396-V405 HydrophobicContact CD1-CG2 3.95Å; A401-V405 WeakPolarHBondContact O-CG2 3.35Å; A401-V405 PolarHBondContact O-N 3.47Å; A401-V405 VanDerWaalsContact O-N 3.16Å; V402-V405 PolarHBondContact O-N 2.92Å; V402-V405 VanDerWaalsContact O-N 3.1Å; V405-K407 VanDerWaalsContact C-N 3.33Å; V405-K407 PolarHBondContact O-N 3.23Å; V405-Q408 PolarHBondContact O-N 3.1Å; V405-V409 HydrophobicContact CG1-CG2 4.41Å; V405-V409 WeakPolarHBondContact O-CG2 3.46Å; V405-V409 PolarHBondContact O-N 3.14Å; V405-F433 HydrophobicContact CG1-CD1 3.62Å; V405-F433 HydrophobicContact CG1-CE1 3.41Å; V405-F433 VanDerWaalsContact CG1-CE1 3.41Å; V405-F433 HydrophobicContact CG1-CE2 4.39Å; V405-F433 HydrophobicContact CG1-CG 4.2Å; V405-F433 HydrophobicContact CG1-CZ 3.83Å; V405-L456 HydrophobicContact CG1-CB 4.32Å
406	E	98.1	Very high	98.1	Very high	47 Å²	47	51 Å²	51	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-56.9	-46	175.2	-75.3	-176.8	139.7	0	0	112.3	V402 Q408 V409 N410 R425 F433	V402-E406 HydrophobicContact CG1-CG 4.41Å; V402-E406 WeakPolarHBondContact O-CG 3.28Å; V402-E406 PolarHBondContact O-N 3.04Å; E406-Q408 VanDerWaalsContact C-N 3.31Å; E406-Q408 PolarHBondContact O-N 3.39Å; E406-V409 PolarHBondContact O-N 2.94Å; E406-N410 WeakPolarHBondContact O-CB 3.38Å; E406-N410 PolarHBondContact O-N 3.4Å; E406-N410 PolarHBondContact O-ND2 3.42Å; E406-N410 VanDerWaalsContact O-ND2 3.15Å; E406-R425 VanDerWaalsContact CD-NE 3.25Å; E406-R425 WeakPolarHBondContact OE1-CD 3.26Å; E406-R425 WeakPolarHBondContact OE1-CG 3.1Å; E406-R425 IonicContact OE1-CZ 3.68Å; E406-R425 IonicContact OE1-NE 3.63Å; E406-R425 PolarHBondContact OE1-NE 3.07Å; E406-R425 IonicContact OE1-NH2 2.77Å; E406-R425 IonicContact OE2-CZ 3.19Å; E406-R425 IonicContact OE2-NE 2.81Å; E406-R425 PolarHBondContact OE2-NE 3.41Å; E406-R425 IonicContact OE2-NH2 3.61Å; E406-R425 PolarHBondContact OE2-NH2 2.87Å; E406-F433 HydrophobicContact CG-CD2 4.37Å; E406-F433 HydrophobicContact CG-CE2 3.49Å; E406-F433 VanDerWaalsContact CG-CE2 3.49Å; E406-F433 HydrophobicContact CG-CZ 4.19Å
407	K	98.3	Very high	98	Very high	118 Å²	118	51.3 Å²	51.3	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-58.4	-44.3	177.6	-175.8	-173.2	175.8	-160.5	0	111.4	E403 K404 V405 D411 L446	E403-K407 VanDerWaalsContact O-CB 3.31Å; E403-K407 WeakPolarHBondContact O-CB 3.48Å; E403-K407 PolarHBondContact O-N 3.12Å; K404-K407 PolarHBondContact O-N 3.01Å; V405-K407 VanDerWaalsContact C-N 3.33Å; V405-K407 PolarHBondContact O-N 3.23Å; K407-D411 WeakPolarHBondContact O-CB 3.39Å; K407-D411 PolarHBondContact O-N 2.81Å; K407-L446 HydrophobicContact CG-CD1 4.5Å
408	Q	98.3	Very high	98.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-39.8	-179.8	-72.2	173.6	-34	0	0	112.4	K404 V405 E406 A412 C447 T452 L456	K404-Q408 WeakPolarHBondContact O-CG 3.24Å; K404-Q408 PolarHBondContact O-N 3.39Å; K404-Q408 VanDerWaalsContact O-N 3.1Å; V405-Q408 PolarHBondContact O-N 3.1Å; E406-Q408 VanDerWaalsContact C-N 3.31Å; E406-Q408 PolarHBondContact O-N 3.39Å; Q408-A412 WeakPolarHBondContact O-CB 3.17Å; Q408-A412 PolarHBondContact O-N 3.48Å; Q408-A412 VanDerWaalsContact O-N 3.1Å; Q408-C447 HydrophobicContact CB-CB 4.33Å; Q408-T452 VanDerWaalsContact CD-OG1 3.26Å; Q408-T452 PolarHBondContact NE2-OG1 3.48Å; Q408-T452 PolarHBondContact OE1-OG1 3.01Å; Q408-L456 HydrophobicContact CB-CD2 3.85Å
409	V	98.5	Very high	98.1	Very high	3 Å²	3	55 Å²	55	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-49.4	174.7	173.5	0	0	0	0	110.6	V405 E406 D411 A412 V413 F433 T436 L456	V405-V409 HydrophobicContact CG1-CG2 4.41Å; V405-V409 WeakPolarHBondContact O-CG2 3.46Å; V405-V409 PolarHBondContact O-N 3.14Å; E406-V409 PolarHBondContact O-N 2.94Å; V409-D411 PolarHBondContact O-N 2.93Å; V409-A412 PolarHBondContact O-N 3.49Å; V409-V413 HydrophobicContact CG1-CG2 4.37Å; V409-V413 WeakPolarHBondContact O-CG2 3.42Å; V409-V413 PolarHBondContact O-N 3.33Å; V409-F433 HydrophobicContact CG2-CE1 4.43Å; V409-F433 HydrophobicContact CG2-CZ 4.4Å; V409-T436 HydrophobicContact CG2-CG2 4.12Å; V409-L456 HydrophobicContact CG2-CD1 3.8Å; V409-L456 HydrophobicContact CG2-CD2 4.01Å; V409-L456 HydrophobicContact CG2-CG 4.5Å
410	N	98.4	Very high	98.2	Very high	105 Å²	105	54.5 Å²	54.5	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-63.5	-42.9	-178.1	-70.4	-28.7	0	0	0	112.3	E406 S414	E406-N410 WeakPolarHBondContact O-CB 3.38Å; E406-N410 PolarHBondContact O-N 3.4Å; E406-N410 PolarHBondContact O-ND2 3.42Å; E406-N410 VanDerWaalsContact O-ND2 3.15Å; N410-S414 VanDerWaalsContact O-CB 3.29Å; N410-S414 WeakPolarHBondContact O-CB 3.45Å; N410-S414 PolarHBondContact O-N 2.84Å; N410-S414 PolarHBondContact O-OG 2.98Å
411	D	98.7	Very high	98.3	Very high	30 Å²	30	49.5 Å²	49.5	16%	0.16	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-50.9	175.1	178.9	83	0	0	0	111.1	K407 V409 V413 S414 K415 L446	K407-D411 WeakPolarHBondContact O-CB 3.39Å; K407-D411 PolarHBondContact O-N 2.81Å; V409-D411 PolarHBondContact O-N 2.93Å; D411-V413 PolarHBondContact O-N 3.28Å; D411-S414 PolarHBondContact O-N 3.31Å; D411-S414 PolarHBondContact O-OG 3.02Å; D411-K415 VanDerWaalsContact CG-NZ 3.33Å; D411-K415 WeakPolarHBondContact O-CG 3.4Å; D411-K415 PolarHBondContact O-N 2.92Å; D411-K415 VanDerWaalsContact OD1-CE 3.25Å; D411-K415 WeakPolarHBondContact OD1-CE 3.45Å; D411-K415 IonicContact OD1-NZ 2.86Å; D411-K415 PolarHBondContact OD1-NZ 2.78Å; D411-K415 IonicContact OD2-NZ 3.82Å; D411-K415 PolarHBondContact OD2-NZ 3.31Å; D411-L446 HydrophobicContact CB-CB 4.31Å; D411-L446 HydrophobicContact CB-CD1 3.77Å; D411-L446 HydrophobicContact CB-CG 4.1Å; D411-L446 VanDerWaalsContact CG-CG 3.48Å; D411-L446 WeakPolarHBondContact OD2-CG 3.42Å; D411-L446 PolarHBondContact OD2-N 2.96Å
412	A	98.4	Very high	98.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-47.3	-179.4	0	0	0	0	0	111.8	Q408 V409 S414 K415 G416 A417 L438 M445	Q408-A412 WeakPolarHBondContact O-CB 3.17Å; Q408-A412 PolarHBondContact O-N 3.48Å; Q408-A412 VanDerWaalsContact O-N 3.1Å; V409-A412 PolarHBondContact O-N 3.49Å; A412-S414 PolarHBondContact O-N 2.81Å; A412-K415 CarbonylContact O-C 3.55Å; A412-K415 PolarHBondContact O-N 2.99Å; A412-K415 VanDerWaalsContact O-N 3.13Å; A412-G416 PolarHBondContact O-N 2.9Å; A412-A417 VanDerWaalsContact C-CB 3.45Å; A412-A417 HydrophobicContact CB-CB 3.79Å; A412-A417 WeakPolarHBondContact O-CB 3.21Å; A412-A417 PolarHBondContact O-N 3.38Å; A412-L438 HydrophobicContact CB-CD1 3.74Å; A412-M445 HydrophobicContact CB-CB 4.37Å; A412-M445 HydrophobicContact CB-CG 4.45Å; A412-M445 HydrophobicContact CB-SD 3.75Å
413	V	98.4	Very high	98.3	Very high	62 Å²	62	50.7 Å²	50.7	38%	0.376	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-41.2	178.7	173.5	0	0	0	0	111.4	V409 D411 K415 G416 V419	V409-V413 HydrophobicContact CG1-CG2 4.37Å; V409-V413 WeakPolarHBondContact O-CG2 3.42Å; V409-V413 PolarHBondContact O-N 3.33Å; D411-V413 PolarHBondContact O-N 3.28Å; V413-K415 PolarHBondContact O-N 3.44Å; V413-K415 VanDerWaalsContact O-N 3.16Å; V413-G416 PolarHBondContact O-N 2.85Å; V413-G416 VanDerWaalsContact O-N 3.08Å; V413-V419 HydrophobicContact CG2-CG2 3.6Å
414	S	98.3	Very high	98.3	Very high	96 Å²	96	52 Å²	52	67%	0.671	30%	0.298	S	S	*	.	H	α-helix	trans	-63.5	-19.6	177.1	75.6	0	0	0	0	113.8	N410 D411 A412	N410-S414 VanDerWaalsContact O-CB 3.29Å; N410-S414 WeakPolarHBondContact O-CB 3.45Å; N410-S414 PolarHBondContact O-N 2.84Å; N410-S414 PolarHBondContact O-OG 2.98Å; D411-S414 PolarHBondContact O-N 3.31Å; D411-S414 PolarHBondContact O-OG 3.02Å; A412-S414 PolarHBondContact O-N 2.81Å
415	K	98.4	Very high	98.3	Very high	86 Å²	86	52 Å²	52	37%	0.374	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	7	177.5	-68.9	172.4	178.9	167.8	0	113.8	D411 A412 V413 D444 M445	D411-K415 VanDerWaalsContact CG-NZ 3.33Å; D411-K415 WeakPolarHBondContact O-CG 3.4Å; D411-K415 PolarHBondContact O-N 2.92Å; D411-K415 VanDerWaalsContact OD1-CE 3.25Å; D411-K415 WeakPolarHBondContact OD1-CE 3.45Å; D411-K415 IonicContact OD1-NZ 2.86Å; D411-K415 PolarHBondContact OD1-NZ 2.78Å; D411-K415 IonicContact OD2-NZ 3.82Å; D411-K415 PolarHBondContact OD2-NZ 3.31Å; A412-K415 CarbonylContact O-C 3.55Å; A412-K415 PolarHBondContact O-N 2.99Å; A412-K415 VanDerWaalsContact O-N 3.13Å; V413-K415 PolarHBondContact O-N 3.44Å; V413-K415 VanDerWaalsContact O-N 3.16Å; K415-D444 PolarHBondContact NZ-O 3.36Å; K415-M445 HydrophobicContact CB-CE 3.87Å; K415-M445 HydrophobicContact CB-CG 4.19Å; K415-M445 HydrophobicContact CD-CG 4.07Å
416	G	98.1	Very high	98.3	Very high	51 Å²	51	53.7 Å²	53.7	53%	0.526	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.9	2.6	173.5	0	0	0	0	0	115.8	A412 V413	A412-G416 PolarHBondContact O-N 2.9Å; V413-G416 PolarHBondContact O-N 2.85Å; V413-G416 VanDerWaalsContact O-N 3.08Å
417	A	98.4	Very high	98.3	Very high	6 Å²	6	60 Å²	60	5%	0.05	33%	0.333	C	S	.	.			trans	-63.8	148	170.4	0	0	0	0	0	110.9	A412 V441 M445	A412-A417 VanDerWaalsContact C-CB 3.45Å; A412-A417 HydrophobicContact CB-CB 3.79Å; A412-A417 WeakPolarHBondContact O-CB 3.21Å; A412-A417 PolarHBondContact O-N 3.38Å; A417-V441 HydrophobicContact CB-CG2 4.12Å; A417-M445 HydrophobicContact CB-CE 3.89Å; A417-M445 HydrophobicContact CB-SD 3.83Å
418	T	98.6	Very high	98.2	Very high	67 Å²	67	58.6 Å²	58.6	41%	0.411	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.6	178.7	-55.5	0	0	0	0	110	V420 L438 C439 N440	T418-V420 PolarHBondContact O-N 3.27Å; T418-L438 WeakPolarHBondContact O-CA 3.47Å; T418-C439 PolarHBondContact N-O 3.07Å; T418-C439 PolarHBondContact O-N 3.36Å; T418-N440 PolarHBondContact OG1-ND2 3.19Å
419	V	98.7	Very high	98	Very high	60 Å²	60	59.9 Å²	59.9	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	116.3	173.6	-174.1	0	0	0	0	109.2	V413 G422 L438	V413-V419 HydrophobicContact CG2-CG2 3.6Å; V419-G422 WeakPolarHBondContact CG1-O 3.49Å; V419-L438 HydrophobicContact CB-CD2 4.14Å; V419-L438 HydrophobicContact CG1-CD2 4.32Å; V419-L438 HydrophobicContact CG2-CD2 3.71Å
420	V	98.6	Very high	97.9	Very high	58 Å²	58	65.3 Å²	65.3	35%	0.352	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-40.8	176.5	-177	0	0	0	0	110.8	V370 A374 T418 L437 C439	V370-V420 HydrophobicContact CG1-CG1 4.37Å; V370-V420 HydrophobicContact CG1-CG2 4.05Å; A374-V420 HydrophobicContact CB-CG1 3.75Å; T418-V420 PolarHBondContact O-N 3.27Å; V420-L437 HydrophobicContact CB-CB 4.22Å; V420-L437 HydrophobicContact CB-CD2 4.1Å; V420-L437 HydrophobicContact CB-CG 4.14Å; V420-L437 HydrophobicContact CG1-CD2 4.05Å; V420-L437 HydrophobicContact CG2-CD2 4.48Å; V420-L437 HydrophobicContact CG2-CG 4.36Å; V420-L437 PolarHBondContact N-O 3.26Å; V420-C439 HydrophobicContact CG2-CB 3.91Å; V420-C439 VanDerWaalsContact CG2-SG 3.54Å
421	T	98.4	Very high	97.8	Very high	49 Å²	49	61.5 Å²	61.5	30%	0.301	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	156.1	173	-171.1	0	0	0	0	110.1	M377 T436 L437	M377-T421 HydrophobicContact CE-CG2 3.52Å; M377-T421 HydrophobicContact SD-CG2 4.15Å; T421-T436 WeakPolarHBondContact O-CA 3.48Å; T421-L437 HydrophobicContact CG2-CB 3.93Å; T421-L437 PolarHBondContact O-N 3.06Å; T421-L437 VanDerWaalsContact O-N 3.12Å
422	G	98.3	Very high	97.8	Very high	24 Å²	24	60.5 Å²	60.5	25%	0.247	34%	0.341	C	S	.	.			trans	72.5	-136.8	180	0	0	0	0	0	113.5	V419 E434	V419-G422 WeakPolarHBondContact CG1-O 3.49Å; G422-E434 WeakPolarHBondContact CA-OE2 3.25Å
423	G	97.1	Very high	97.9	Very high	18 Å²	18	60.7 Å²	60.7	19%	0.186	34%	0.342	C	S	.	.			trans	102.8	3.2	171.4	0	0	0	0	0	115.7	T436	G423-T436 WeakPolarHBondContact CA-OG1 3.36Å; G423-T436 PolarHBondContact N-OG1 2.99Å
424	K	98.1	Very high	97.9	Very high	129 Å²	129	59.7 Å²	59.7	56%	0.561	33%	0.333	S	S	*	.	S	Bend	trans	-148.3	171.5	-176.9	58.2	-176.6	175.9	-172.7	0	111.7	F433 E434	K424-F433 WeakPolarHBondContact O-CE2 3.47Å; K424-E434 WeakPolarHBondContact CE-OE1 3.31Å; K424-E434 VanDerWaalsContact CE-OE2 3.32Å; K424-E434 WeakPolarHBondContact CE-OE2 3.42Å; K424-E434 HydrophobicContact CG-CG 4.46Å; K424-E434 WeakPolarHBondContact CG-OE2 3.19Å; K424-E434 WeakPolarHBondContact O-CB 3.47Å; K424-E434 WeakPolarHBondContact O-CG 3.32Å; K424-E434 PolarHBondContact O-N 2.94Å
425	R	98.4	Very high	97.9	Very high	82 Å²	82	56 Å²	56	31%	0.309	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-57.4	141	170.3	-52.9	-166.6	-178.5	-151.5	-3.7	110.1	E399 V402 E406 F433	E399-R425 IonicContact OE1-CZ 2.64Å; E399-R425 IonicContact OE1-NH1 2.98Å; E399-R425 PolarHBondContact OE1-NH1 3.19Å; E399-R425 IonicContact OE1-NH2 2.89Å; E399-R425 PolarHBondContact OE1-NH2 3.38Å; E399-R425 IonicContact OE2-NH1 3.56Å; E399-R425 PolarHBondContact OE2-NH1 3.5Å; V402-R425 HydrophobicContact CG1-CG 4.03Å; E406-R425 VanDerWaalsContact CD-NE 3.25Å; E406-R425 WeakPolarHBondContact OE1-CD 3.26Å; E406-R425 WeakPolarHBondContact OE1-CG 3.1Å; E406-R425 IonicContact OE1-CZ 3.68Å; E406-R425 IonicContact OE1-NE 3.63Å; E406-R425 PolarHBondContact OE1-NE 3.07Å; E406-R425 IonicContact OE1-NH2 2.77Å; E406-R425 IonicContact OE2-CZ 3.19Å; E406-R425 IonicContact OE2-NE 2.81Å; E406-R425 PolarHBondContact OE2-NE 3.41Å; E406-R425 IonicContact OE2-NH2 3.61Å; E406-R425 PolarHBondContact OE2-NH2 2.87Å; R425-F433 HydrophobicContact CG-CD2 4.28Å; R425-F433 HydrophobicContact CG-CE2 4.34Å
426	H	98.6	Very high	97.9	Very high	35 Å²	35	51.9 Å²	51.9	16%	0.162	29%	0.289	C	S	.	.			trans	-72.7	151.7	177.8	-173.9	-101.3	0	0	0	110.6	V383 L428 G429 F432 E434	V383-H426 HydrophobicContact CG1-CB 4.31Å; H426-L428 WeakPolarHBondContact ND1-CB 3.48Å; H426-L428 WeakPolarHBondContact ND1-CG 3.44Å; H426-L428 PolarHBondContact ND1-N 3.24Å; H426-L428 PolarHBondContact O-N 2.93Å; H426-G429 PolarHBondContact O-N 3.02Å; H426-F432 HydrophobicContact CB-CB 3.84Å; H426-F432 PolarHBondContact N-O 3.15Å; H426-E434 HydrophobicContact CB-CG 4.12Å
427	Q	97.3	Very high	97.9	Very high	180 Å²	180	49.4 Å²	49.4	84%	0.841	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.4	-178.9	65.1	178.3	23.6	0	0	115.1	G429	Q427-G429 PolarHBondContact O-N 3.4Å
428	L	96.1	Very high	98	Very high	89 Å²	89	49.1 Å²	49.1	47%	0.466	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13	172.4	-70.9	171.7	0	0	0	112.8	V383 H426 F432	V383-L428 HydrophobicContact CG1-CD1 4.39Å; H426-L428 WeakPolarHBondContact ND1-CB 3.48Å; H426-L428 WeakPolarHBondContact ND1-CG 3.44Å; H426-L428 PolarHBondContact ND1-N 3.24Å; H426-L428 PolarHBondContact O-N 2.93Å; L428-F432 HydrophobicContact CB-CB 4.3Å; L428-F432 HydrophobicContact CB-CD2 3.88Å; L428-F432 HydrophobicContact CB-CE2 4.48Å; L428-F432 HydrophobicContact CB-CG 4.17Å; L428-F432 HydrophobicContact CD1-CD2 4.49Å; L428-F432 HydrophobicContact CD1-CG 4.43Å
429	G	95	Very high	97.9	Very high	28 Å²	28	46.7 Å²	46.7	29%	0.289	25%	0.247	S	C	.	.			trans	67	-160.4	-178.8	0	0	0	0	0	113	H426 Q427 N431 F432	H426-G429 PolarHBondContact O-N 3.02Å; Q427-G429 PolarHBondContact O-N 3.4Å; G429-N431 PolarHBondContact O-N 3.38Å; G429-F432 WeakPolarHBondContact O-CD2 3.49Å; G429-F432 PolarHBondContact O-N 3.16Å
430	K	94.9	Very high	97.8	Very high	116 Å²	116	47.8 Å²	47.8	50%	0.504	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	-131.4	-179.2	-52.4	176.9	-175.5	176.1	0	110.7	A82 S83 F432	A82-K430 WeakPolarHBondContact O-CD 3.47Å; S83-K430 PolarHBondContact O-NZ 3.04Å; K430-F432 VanDerWaalsContact C-N 3.31Å; K430-F432 PolarHBondContact O-N 3.44Å
431	N	97.9	Very high	97.8	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.134	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	11.4	-176.5	-55.8	-31.2	0	0	0	113.9	P81 P395 L396 E399 V402 G429	P81-N431 PolarHBondContact O-ND2 3.04Å; P395-N431 HydrophobicContact CB-CB 3.96Å; L396-N431 WeakPolarHBondContact CB-O 3.42Å; L396-N431 PolarHBondContact N-O 3.29Å; L396-N431 WeakPolarHBondContact O-CB 3.36Å; E399-N431 PolarHBondContact N-OD1 3.25Å; V402-N431 HydrophobicContact CG2-CB 4.21Å; G429-N431 PolarHBondContact O-N 3.38Å
432	F	98.7	Very high	97.7	Very high	10 Å²	10	45.7 Å²	45.7	4%	0.044	24%	0.238	C	C	.	.			trans	-85.9	129.2	179.4	-68.4	-80.3	0	0	0	111.7	A82 V383 G384 P395 H426 L428 G429 K430	A82-F432 HydrophobicContact CB-CE2 4.14Å; A82-F432 HydrophobicContact CB-CZ 3.69Å; V383-F432 HydrophobicContact CG1-CB 4.09Å; V383-F432 HydrophobicContact CG1-CD1 3.48Å; V383-F432 VanDerWaalsContact CG1-CD1 3.48Å; V383-F432 HydrophobicContact CG1-CE1 4.27Å; V383-F432 HydrophobicContact CG1-CG 4.14Å; G384-F432 VanDerWaalsContact O-CE1 3.23Å; G384-F432 WeakPolarHBondContact O-CE1 3.18Å; P395-F432 HydrophobicContact CB-CD1 4Å; P395-F432 HydrophobicContact CB-CD2 4.44Å; P395-F432 HydrophobicContact CB-CE1 3.81Å; P395-F432 HydrophobicContact CB-CE2 4.26Å; P395-F432 HydrophobicContact CB-CG 4.33Å; P395-F432 HydrophobicContact CB-CZ 3.96Å; P395-F432 HydrophobicContact CG-CE1 4.27Å; P395-F432 HydrophobicContact CG-CZ 4.3Å; H426-F432 HydrophobicContact CB-CB 3.84Å; H426-F432 PolarHBondContact N-O 3.15Å; L428-F432 HydrophobicContact CB-CB 4.3Å; L428-F432 HydrophobicContact CB-CD2 3.88Å; L428-F432 HydrophobicContact CB-CE2 4.48Å; L428-F432 HydrophobicContact CB-CG 4.17Å; L428-F432 HydrophobicContact CD1-CD2 4.49Å; L428-F432 HydrophobicContact CD1-CG 4.43Å; G429-F432 WeakPolarHBondContact O-CD2 3.49Å; G429-F432 PolarHBondContact O-N 3.16Å; K430-F432 VanDerWaalsContact C-N 3.31Å; K430-F432 PolarHBondContact O-N 3.44Å
433	F	98.8	Very high	97.4	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-123	144.6	178.1	-157.8	-96.5	0	0	0	110.9	L396 V402 V405 E406 V409 K424 R425 T436 P455	L396-F433 HydrophobicContact CD1-CB 4.18Å; V402-F433 HydrophobicContact CG1-CD2 4.08Å; V405-F433 HydrophobicContact CG1-CD1 3.62Å; V405-F433 HydrophobicContact CG1-CE1 3.41Å; V405-F433 VanDerWaalsContact CG1-CE1 3.41Å; V405-F433 HydrophobicContact CG1-CE2 4.39Å; V405-F433 HydrophobicContact CG1-CG 4.2Å; V405-F433 HydrophobicContact CG1-CZ 3.83Å; E406-F433 HydrophobicContact CG-CD2 4.37Å; E406-F433 HydrophobicContact CG-CE2 3.49Å; E406-F433 VanDerWaalsContact CG-CE2 3.49Å; E406-F433 HydrophobicContact CG-CZ 4.19Å; V409-F433 HydrophobicContact CG2-CE1 4.43Å; V409-F433 HydrophobicContact CG2-CZ 4.4Å; K424-F433 WeakPolarHBondContact O-CE2 3.47Å; R425-F433 HydrophobicContact CG-CD2 4.28Å; R425-F433 HydrophobicContact CG-CE2 4.34Å; F433-T436 WeakPolarHBondContact CE1-OG1 3.4Å; F433-P455 HydrophobicContact CB-CG 4.32Å; F433-P455 HydrophobicContact CD1-CG 4.29Å
434	E	98.7	Very high	97.3	Very high	41 Å²	41	52.2 Å²	52.2	19%	0.192	26%	0.26	C	S	.	.			trans	-70.1	131.9	178.3	-66.4	178.6	173.5	0	0	110.4	G422 K424 H426 T436	G422-E434 WeakPolarHBondContact CA-OE2 3.25Å; K424-E434 WeakPolarHBondContact CE-OE1 3.31Å; K424-E434 VanDerWaalsContact CE-OE2 3.32Å; K424-E434 WeakPolarHBondContact CE-OE2 3.42Å; K424-E434 HydrophobicContact CG-CG 4.46Å; K424-E434 WeakPolarHBondContact CG-OE2 3.19Å; K424-E434 WeakPolarHBondContact O-CB 3.47Å; K424-E434 WeakPolarHBondContact O-CG 3.32Å; K424-E434 PolarHBondContact O-N 2.94Å; H426-E434 HydrophobicContact CB-CG 4.12Å; E434-T436 PolarHBondContact O-N 3.4Å; E434-T436 VanDerWaalsContact O-N 3.08Å; E434-T436 PolarHBondContact O-OG1 3.5Å
435	P	98.6	Very high	97.2	Very high	17 Å²	17	46.1 Å²	46.1	11%	0.11	23%	0.233	C	C	.	.			trans	-54.5	119	168.6	-27	35.8	0	0	0	110.9	F346 M377 L381 V383 Q393	F346-P435 HydrophobicContact CD1-CB 4.22Å; F346-P435 HydrophobicContact CE1-CB 3.85Å; M377-P435 HydrophobicContact CE-CB 3.86Å; M377-P435 WeakPolarHBondContact CE-O 3.46Å; L381-P435 HydrophobicContact CB-CG 4.09Å; L381-P435 HydrophobicContact CD1-CB 3.44Å; L381-P435 VanDerWaalsContact CD1-CB 3.44Å; L381-P435 HydrophobicContact CD1-CG 3.76Å; V383-P435 HydrophobicContact CG2-CG 4.18Å; Q393-P435 HydrophobicContact CG-CG 3.93Å
436	T	98.8	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.7	-166.1	-59.9	0	0	0	0	110.5	V409 T421 G423 F433 E434 L438 P455 L456 A457	V409-T436 HydrophobicContact CG2-CG2 4.12Å; T421-T436 WeakPolarHBondContact O-CA 3.48Å; G423-T436 WeakPolarHBondContact CA-OG1 3.36Å; G423-T436 PolarHBondContact N-OG1 2.99Å; F433-T436 WeakPolarHBondContact CE1-OG1 3.4Å; E434-T436 PolarHBondContact O-N 3.4Å; E434-T436 VanDerWaalsContact O-N 3.08Å; E434-T436 PolarHBondContact O-OG1 3.5Å; T436-L438 HydrophobicContact CG2-CD2 3.79Å; T436-L438 HydrophobicContact CG2-CG 4.16Å; T436-P455 PolarHBondContact N-O 3.2Å; T436-L456 HydrophobicContact CG2-CD1 3.56Å; T436-L456 WeakPolarHBondContact O-CA 3.41Å; T436-A457 PolarHBondContact O-N 2.9Å
437	L	98.8	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.7	171.8	-177.8	65.4	0	0	0	108.4	V370 F373 A374 M377 V420 T421 A457 V459	V370-L437 HydrophobicContact CG1-CD2 4.3Å; F373-L437 HydrophobicContact CB-CD2 4.39Å; F373-L437 HydrophobicContact CD1-CD1 3.56Å; F373-L437 HydrophobicContact CD1-CD2 4.2Å; F373-L437 HydrophobicContact CE1-CD1 3.73Å; F373-L437 HydrophobicContact CG-CD2 4.46Å; A374-L437 HydrophobicContact CB-CD2 3.89Å; M377-L437 HydrophobicContact CE-CB 4.01Å; M377-L437 HydrophobicContact SD-CB 3.78Å; M377-L437 HydrophobicContact SD-CD2 4.19Å; M377-L437 HydrophobicContact SD-CG 4.41Å; V420-L437 HydrophobicContact CB-CB 4.22Å; V420-L437 HydrophobicContact CB-CD2 4.1Å; V420-L437 HydrophobicContact CB-CG 4.14Å; V420-L437 HydrophobicContact CG1-CD2 4.05Å; V420-L437 HydrophobicContact CG2-CD2 4.48Å; V420-L437 HydrophobicContact CG2-CG 4.36Å; V420-L437 PolarHBondContact N-O 3.26Å; T421-L437 HydrophobicContact CG2-CB 3.93Å; T421-L437 PolarHBondContact O-N 3.06Å; T421-L437 VanDerWaalsContact O-N 3.12Å; L437-A457 HydrophobicContact CD1-CB 3.7Å; L437-A457 WeakPolarHBondContact CD1-O 3.34Å; L437-V459 HydrophobicContact CD1-CG2 3.68Å
438	L	98.7	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.9	174.1	-54.3	-177.1	0	0	0	109.1	A412 T418 V419 T436 V441 L456 A457 V459	A412-L438 HydrophobicContact CB-CD1 3.74Å; T418-L438 WeakPolarHBondContact O-CA 3.47Å; V419-L438 HydrophobicContact CB-CD2 4.14Å; V419-L438 HydrophobicContact CG1-CD2 4.32Å; V419-L438 HydrophobicContact CG2-CD2 3.71Å; T436-L438 HydrophobicContact CG2-CD2 3.79Å; T436-L438 HydrophobicContact CG2-CG 4.16Å; L438-V441 HydrophobicContact CB-CG2 3.79Å; L438-L456 HydrophobicContact CD1-CD1 3.79Å; L438-L456 HydrophobicContact CG-CD1 3.81Å; L438-A457 PolarHBondContact N-O 2.85Å; L438-V459 WeakPolarHBondContact O-CB 3.37Å; L438-V459 WeakPolarHBondContact O-CG2 3.47Å; L438-V459 PolarHBondContact O-N 3.31Å
439	C	97.1	Very high	95.8	Very high	15 Å²	15	35.9 Å²	35.9	10%	0.101	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	174.1	166.7	70.6	0	0	0	0	110.5	V370 T418 V420 V441	V370-C439 HydrophobicContact CG1-CB 4.35Å; T418-C439 PolarHBondContact N-O 3.07Å; T418-C439 PolarHBondContact O-N 3.36Å; V420-C439 HydrophobicContact CG2-CB 3.91Å; V420-C439 VanDerWaalsContact CG2-SG 3.54Å; C439-V441 PolarHBondContact O-N 3.18Å
440	N	97.1	Very high	95.5	Very high	84 Å²	84	37.7 Å²	37.7	45%	0.449	19%	0.189	S	C	.	.	S	Bend	trans	57.3	34.6	-172.3	-53.7	-43.9	0	0	0	112.1	T418	T418-N440 PolarHBondContact OG1-ND2 3.19Å
441	V	98.1	Very high	95.2	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.03	17%	0.174	C	C	.	.			trans	-80.5	139.4	174.7	178.9	0	0	0	0	109.1	A417 L438 C439 M445 T448 P458 V459 I460	A417-V441 HydrophobicContact CB-CG2 4.12Å; L438-V441 HydrophobicContact CB-CG2 3.79Å; C439-V441 PolarHBondContact O-N 3.18Å; V441-M445 HydrophobicContact CB-SD 4.06Å; V441-M445 HydrophobicContact CG1-CB 4.29Å; V441-M445 HydrophobicContact CG1-CG 4.44Å; V441-M445 HydrophobicContact CG1-SD 3.64Å; V441-M445 HydrophobicContact CG2-SD 4.3Å; V441-T448 HydrophobicContact CG1-CG2 3.71Å; V441-P458 HydrophobicContact CB-CB 4.22Å; V441-P458 HydrophobicContact CG1-CB 3.95Å; V441-P458 HydrophobicContact CG2-CB 3.75Å; V441-V459 WeakPolarHBondContact CB-O 3.28Å; V441-V459 PolarHBondContact N-O 3.14Å; V441-V459 VanDerWaalsContact N-O 3.16Å; V441-I460 HydrophobicContact CB-CG1 4.04Å; V441-I460 HydrophobicContact CG1-CG1 3.94Å
442	T	96.1	Very high	94.7	Very high	58 Å²	58	33 Å²	33	36%	0.356	17%	0.168	S	C	.	.			trans	-114.2	164.4	176.1	57.3	0	0	0	0	110.4	D444 M445 T448	T442-D444 WeakPolarHBondContact CB-OD1 3.37Å; T442-D444 PolarHBondContact O-N 3.29Å; T442-D444 PolarHBondContact OG1-OD1 3.49Å; T442-M445 HydrophobicContact CG2-CE 4.42Å; T442-M445 PolarHBondContact O-N 2.83Å; T442-M445 WeakPolarHBondContact OG1-CE 3.36Å; T442-T448 WeakPolarHBondContact O-CG2 3.37Å; T442-T448 PolarHBondContact O-OG1 3.48Å
443	Q	93.4	Very high	94.5	Very high	90 Å²	90	34.7 Å²	34.7	42%	0.421	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.4	-177.2	-75.6	-171	-58	0	0	114.7	M445 T448 H449 I471	Q443-M445 VanDerWaalsContact C-N 3.35Å; Q443-T448 PolarHBondContact O-OG1 3.43Å; Q443-H449 PolarHBondContact O-CE1 2.72Å; Q443-H449 PolarHBondContact O-NE2 3.19Å; Q443-I471 HydrophobicContact CG-CG2 4.19Å; Q443-I471 VanDerWaalsContact NE2-CG2 3.34Å
444	D	94	Very high	94.4	Very high	88 Å²	88	34.5 Å²	34.5	47%	0.471	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0	-179.4	62.8	-73.3	0	0	0	114.4	K415 T442	K415-D444 PolarHBondContact NZ-O 3.36Å; T442-D444 WeakPolarHBondContact CB-OD1 3.37Å; T442-D444 PolarHBondContact O-N 3.29Å; T442-D444 PolarHBondContact OG1-OD1 3.49Å
445	M	96.9	Very high	94.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.166	C	C	.	.	S	Bend	trans	-82.6	146.4	179.5	-62.3	-177.7	-179.9	0	0	110.9	A412 K415 A417 V441 T442 Q443 C447 T448	A412-M445 HydrophobicContact CB-CB 4.37Å; A412-M445 HydrophobicContact CB-CG 4.45Å; A412-M445 HydrophobicContact CB-SD 3.75Å; K415-M445 HydrophobicContact CB-CE 3.87Å; K415-M445 HydrophobicContact CB-CG 4.19Å; K415-M445 HydrophobicContact CD-CG 4.07Å; A417-M445 HydrophobicContact CB-CE 3.89Å; A417-M445 HydrophobicContact CB-SD 3.83Å; V441-M445 HydrophobicContact CB-SD 4.06Å; V441-M445 HydrophobicContact CG1-CB 4.29Å; V441-M445 HydrophobicContact CG1-CG 4.44Å; V441-M445 HydrophobicContact CG1-SD 3.64Å; V441-M445 HydrophobicContact CG2-SD 4.3Å; T442-M445 HydrophobicContact CG2-CE 4.42Å; T442-M445 PolarHBondContact O-N 2.83Å; T442-M445 WeakPolarHBondContact OG1-CE 3.36Å; Q443-M445 VanDerWaalsContact C-N 3.35Å; M445-C447 PolarHBondContact O-N 3.07Å; M445-C447 VanDerWaalsContact O-N 3.12Å; M445-T448 PolarHBondContact O-N 3.33Å; M445-T448 PolarHBondContact O-OG1 2.82Å
446	L	92.2	Very high	94.4	Very high	37 Å²	37	31.8 Å²	31.8	19%	0.194	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.8	-32.9	-173.9	-73.2	177.6	0	0	0	113.7	K407 D411 T448 H449 E450	K407-L446 HydrophobicContact CG-CD1 4.5Å; D411-L446 HydrophobicContact CB-CB 4.31Å; D411-L446 HydrophobicContact CB-CD1 3.77Å; D411-L446 HydrophobicContact CB-CG 4.1Å; D411-L446 VanDerWaalsContact CG-CG 3.48Å; D411-L446 WeakPolarHBondContact OD2-CG 3.42Å; D411-L446 PolarHBondContact OD2-N 2.96Å; L446-T448 PolarHBondContact O-N 2.87Å; L446-T448 VanDerWaalsContact O-N 3.17Å; L446-H449 PolarHBondContact O-N 2.93Å; L446-H449 VanDerWaalsContact O-N 3.14Å; L446-E450 PolarHBondContact O-N 3.39Å
447	C	91.2	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-65.2	-13.5	178	59.2	0	0	0	0	113.9	Q408 M445 L456 P458	Q408-C447 HydrophobicContact CB-CB 4.33Å; M445-C447 PolarHBondContact O-N 3.07Å; M445-C447 VanDerWaalsContact O-N 3.12Å; C447-L456 HydrophobicContact CB-CD2 4.31Å; C447-P458 HydrophobicContact CB-CB 4.45Å; C447-P458 HydrophobicContact CB-CG 4.2Å
448	T	89.6	Confident	94.3	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.043	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-99.7	1	176.3	59.5	0	0	0	0	113.4	L323 Q358 V441 T442 Q443 M445 L446 I460	L323-T448 WeakPolarHBondContact CD2-O 3.12Å; Q358-T448 VanDerWaalsContact NE2-C 3.34Å; Q358-T448 PolarHBondContact NE2-O 2.88Å; V441-T448 HydrophobicContact CG1-CG2 3.71Å; T442-T448 WeakPolarHBondContact O-CG2 3.37Å; T442-T448 PolarHBondContact O-OG1 3.48Å; Q443-T448 PolarHBondContact O-OG1 3.43Å; M445-T448 PolarHBondContact O-N 3.33Å; M445-T448 PolarHBondContact O-OG1 2.82Å; L446-T448 PolarHBondContact O-N 2.87Å; L446-T448 VanDerWaalsContact O-N 3.17Å; T448-I460 HydrophobicContact CG2-CD1 3.61Å; T448-I460 HydrophobicContact CG2-CG1 4.32Å
449	H	87.7	Confident	94.3	Very high	127 Å²	127	31.8 Å²	31.8	59%	0.588	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.1	-28.3	176.3	-61.5	-59.9	0	0	0	112.9	Q443 L446	Q443-H449 PolarHBondContact O-CE1 2.72Å; Q443-H449 PolarHBondContact O-NE2 3.19Å; L446-H449 PolarHBondContact O-N 2.93Å; L446-H449 VanDerWaalsContact O-N 3.14Å
450	E	88.3	Confident	94.4	Very high	66 Å²	66	31.4 Å²	31.4	31%	0.308	16%	0.158	S	C	.	.	S	Bend	trans	-107	135.7	-178.3	-61.5	-177.3	-174.4	0	0	111.1	L446 T452	L446-E450 PolarHBondContact O-N 3.39Å; E450-T452 PolarHBondContact O-N 3.42Å; E450-T452 PolarHBondContact O-OG1 3Å
451	E	88.3	Confident	94.4	Very high	43 Å²	43	31.1 Å²	31.1	20%	0.201	15%	0.152	C	C	.	.			trans	-58.5	126.7	172.7	178	173.5	-133.6	0	0	110.8	G321 G322 K404 F453	G321-E451 VanDerWaalsContact CA-OE1 3.3Å; G321-E451 WeakPolarHBondContact CA-OE1 3.07Å; G321-E451 WeakPolarHBondContact CA-OE2 3.35Å; G322-E451 PolarHBondContact N-OE1 2.85Å; G322-E451 WeakPolarHBondContact O-CB 3.08Å; G322-E451 WeakPolarHBondContact O-CG 3.25Å; K404-E451 VanDerWaalsContact CE-O 3.29Å; K404-E451 WeakPolarHBondContact CE-O 3.28Å; K404-E451 PolarHBondContact NZ-O 3.43Å; E451-F453 HydrophobicContact CG-CD2 3.63Å; E451-F453 HydrophobicContact CG-CE2 3.5Å; E451-F453 WeakPolarHBondContact OE1-CE2 3.37Å
452	T	87.1	Confident	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.			trans	-106.5	101.5	-176	-59.3	0	0	0	0	110.4	N357 Q408 E450 G454 L456	N357-T452 PolarHBondContact OD1-O 2.85Å; Q408-T452 VanDerWaalsContact CD-OG1 3.26Å; Q408-T452 PolarHBondContact NE2-OG1 3.48Å; Q408-T452 PolarHBondContact OE1-OG1 3.01Å; E450-T452 PolarHBondContact O-N 3.42Å; E450-T452 PolarHBondContact O-OG1 3Å; T452-G454 PolarHBondContact O-N 2.89Å; T452-L456 HydrophobicContact CG2-CB 3.93Å; T452-L456 HydrophobicContact CG2-CD2 4.18Å; T452-L456 HydrophobicContact CG2-CG 4.47Å
453	F	94.6	Very high	94.6	Very high	46 Å²	46	31.5 Å²	31.5	20%	0.202	15%	0.152	C	C	.	.			trans	-90.6	78.7	172.3	-85.7	-148	0	0	0	109.3	W204 G350 Q351 C353 E451	W204-F453 HydrophobicContact CH2-CD1 4.49Å; W204-F453 HydrophobicContact CZ2-CD1 4.1Å; G350-F453 WeakPolarHBondContact O-CA 3.37Å; Q351-F453 HydrophobicContact CB-CD1 4.48Å; Q351-F453 HydrophobicContact CG-CB 4.42Å; C353-F453 HydrophobicContact CB-CZ 4.3Å; E451-F453 HydrophobicContact CG-CD2 3.63Å; E451-F453 HydrophobicContact CG-CE2 3.5Å; E451-F453 WeakPolarHBondContact OE1-CE2 3.37Å
454	G	97.1	Very high	94.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	178.7	173.2	179.6	0	0	0	0	0	113	K345 T349 G350 T452 L456	K345-G454 WeakPolarHBondContact CE-O 3.26Å; K345-G454 PolarHBondContact NZ-O 2.85Å; T349-G454 CarbonylContact O-C 3.57Å; T349-G454 VanDerWaalsContact O-CA 3.3Å; T349-G454 WeakPolarHBondContact O-CA 3.31Å; G350-G454 PolarHBondContact O-N 2.79Å; G350-G454 VanDerWaalsContact O-N 3.15Å; T452-G454 PolarHBondContact O-N 2.89Å; G454-L456 PolarHBondContact O-N 2.88Å
455	P	97.9	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-84.7	54.9	-168.8	37.8	-37.4	0	0	0	110.7	F346 T349 F433 T436	F346-P455 HydrophobicContact CD1-CB 3.99Å; F346-P455 HydrophobicContact CE1-CB 4.13Å; T349-P455 HydrophobicContact CG2-CB 3.82Å; T349-P455 HydrophobicContact CG2-CG 3.72Å; T349-P455 WeakPolarHBondContact O-CD 3.24Å; F433-P455 HydrophobicContact CB-CG 4.32Å; F433-P455 HydrophobicContact CD1-CG 4.29Å; T436-P455 PolarHBondContact N-O 3.2Å
456	L	98.6	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.4	-178.7	175	60.8	0	0	0	110.8	K345 V405 Q408 V409 T436 L438 C447 T452 G454 P458	K345-L456 WeakPolarHBondContact CD-O 3.22Å; K345-L456 WeakPolarHBondContact CE-O 3.42Å; K345-L456 PolarHBondContact NZ-O 3.02Å; V405-L456 HydrophobicContact CG1-CB 4.32Å; Q408-L456 HydrophobicContact CB-CD2 3.85Å; V409-L456 HydrophobicContact CG2-CD1 3.8Å; V409-L456 HydrophobicContact CG2-CD2 4.01Å; V409-L456 HydrophobicContact CG2-CG 4.5Å; T436-L456 HydrophobicContact CG2-CD1 3.56Å; T436-L456 WeakPolarHBondContact O-CA 3.41Å; L438-L456 HydrophobicContact CD1-CD1 3.79Å; L438-L456 HydrophobicContact CG-CD1 3.81Å; C447-L456 HydrophobicContact CB-CD2 4.31Å; T452-L456 HydrophobicContact CG2-CB 3.93Å; T452-L456 HydrophobicContact CG2-CD2 4.18Å; T452-L456 HydrophobicContact CG2-CG 4.47Å; G454-L456 PolarHBondContact O-N 2.88Å; L456-P458 WeakPolarHBondContact O-CD 3.15Å
457	A	98.4	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	97.7	177.3	0	0	0	0	0	110.4	K345 F346 F359 F373 T436 L437 L438	K345-A457 HydrophobicContact CG-CB 4.18Å; F346-A457 HydrophobicContact CZ-CB 4.35Å; F359-A457 HydrophobicContact CD2-CB 3.95Å; F359-A457 HydrophobicContact CE2-CB 3.68Å; F373-A457 HydrophobicContact CE1-CB 3.91Å; F373-A457 HydrophobicContact CZ-CB 4.26Å; T436-A457 PolarHBondContact O-N 2.9Å; L437-A457 HydrophobicContact CD1-CB 3.7Å; L437-A457 WeakPolarHBondContact CD1-O 3.34Å; L438-A457 PolarHBondContact N-O 2.85Å
458	P	98.1	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130	171	31.2	-30.8	0	0	0	111.3	N357 F359 V441 C447 L456	N357-P458 VanDerWaalsContact O-CD 3.29Å; N357-P458 WeakPolarHBondContact O-CD 3.42Å; N357-P458 WeakPolarHBondContact O-CG 3.01Å; F359-P458 WeakPolarHBondContact CB-O 3.44Å; F359-P458 PolarHBondContact N-O 3.33Å; V441-P458 HydrophobicContact CB-CB 4.22Å; V441-P458 HydrophobicContact CG1-CB 3.95Å; V441-P458 HydrophobicContact CG2-CB 3.75Å; C447-P458 HydrophobicContact CB-CB 4.45Å; C447-P458 HydrophobicContact CB-CG 4.2Å; L456-P458 WeakPolarHBondContact O-CD 3.15Å
459	V	98.6	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.9	178.6	-175.3	0	0	0	0	110.8	F359 V361 V370 L437 L438 V441	F359-V459 HydrophobicContact CB-CB 4.43Å; F359-V459 HydrophobicContact CB-CG2 3.99Å; F359-V459 CarbonylContact O-C 3.47Å; F359-V459 WeakPolarHBondContact O-CA 3.27Å; V361-V459 HydrophobicContact CB-CG1 4.2Å; V361-V459 HydrophobicContact CG2-CG1 3.75Å; V370-V459 HydrophobicContact CG2-CB 4.45Å; V370-V459 HydrophobicContact CG2-CG1 3.94Å; V370-V459 HydrophobicContact CG2-CG2 4.36Å; L437-V459 HydrophobicContact CD1-CG2 3.68Å; L438-V459 WeakPolarHBondContact O-CB 3.37Å; L438-V459 WeakPolarHBondContact O-CG2 3.47Å; L438-V459 PolarHBondContact O-N 3.31Å; V441-V459 WeakPolarHBondContact CB-O 3.28Å; V441-V459 PolarHBondContact N-O 3.14Å; V441-V459 VanDerWaalsContact N-O 3.16Å
460	I	98.4	Very high	96.7	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.3	175.7	-54.5	167.1	0	0	0	107.6	F359 L360 V361 V441 T448	F359-I460 PolarHBondContact O-N 2.94Å; L360-I460 WeakPolarHBondContact CA-O 3.28Å; L360-I460 HydrophobicContact CD2-CB 3.89Å; L360-I460 HydrophobicContact CD2-CD1 4.06Å; L360-I460 HydrophobicContact CD2-CG2 4.02Å; V361-I460 PolarHBondContact N-O 2.89Å; V441-I460 HydrophobicContact CB-CG1 4.04Å; V441-I460 HydrophobicContact CG1-CG1 3.94Å; T448-I460 HydrophobicContact CG2-CD1 3.61Å; T448-I460 HydrophobicContact CG2-CG1 4.32Å
461	K	98.4	Very high	97.1	Very high	78 Å²	78	29.4 Å²	29.4	34%	0.339	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	140.5	175.8	-173.8	177.6	-67.7	177.1	0	109.9	V361 R363 H366	V361-K461 WeakPolarHBondContact O-CA 3.47Å; R363-K461 HydrophobicContact CG-CD 4.46Å; H366-K461 WeakPolarHBondContact CD2-CE 3.28Å; H366-K461 VanDerWaalsContact ND1-CE 3.33Å; H366-K461 WeakPolarHBondContact ND1-CE 3.5Å
462	F	98.6	Very high	97.5	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	163.9	172.6	74.4	-94.8	0	0	0	111	I327 F329 L360 V361 Q362 R363 T464 E467 A468	I327-F462 HydrophobicContact CG2-CE1 3.8Å; I327-F462 HydrophobicContact CG2-CZ 3.84Å; F329-F462 HydrophobicContact CD1-CE2 4.18Å; F329-F462 AromaticContact CD1-CZ 3.86Å; F329-F462 HydrophobicContact CD1-CZ 3.86Å; F329-F462 HydrophobicContact CE1-CE2 4.16Å; F329-F462 AromaticContact CE1-CZ 3.96Å; F329-F462 HydrophobicContact CE1-CZ 3.96Å; L360-F462 VanDerWaalsContact C-CE1 3.49Å; L360-F462 HydrophobicContact CB-CD1 3.89Å; L360-F462 HydrophobicContact CB-CE1 4.05Å; L360-F462 WeakPolarHBondContact O-CE1 3.15Å; V361-F462 VanDerWaalsContact C-CD1 3.5Å; V361-F462 VanDerWaalsContact C-CE1 3.44Å; V361-F462 PolarHBondContact O-N 3.33Å; Q362-F462 CarbonylContact C-O 3.58Å; Q362-F462 WeakPolarHBondContact CA-O 3.2Å; Q362-F462 HydrophobicContact CB-CD2 4.33Å; Q362-F462 HydrophobicContact CB-CE1 3.96Å; Q362-F462 HydrophobicContact CB-CE2 3.66Å; Q362-F462 HydrophobicContact CB-CZ 3.46Å; Q362-F462 VanDerWaalsContact CB-CZ 3.46Å; Q362-F462 HydrophobicContact CG-CD2 4.12Å; Q362-F462 HydrophobicContact CG-CE2 3.58Å; Q362-F462 HydrophobicContact CG-CZ 3.95Å; R363-F462 PolarHBondContact N-O 2.91Å; F462-T464 WeakPolarHBondContact CD2-O 3.38Å; F462-T464 WeakPolarHBondContact CE2-O 3.41Å; F462-E467 HydrophobicContact CB-CG 4.24Å; F462-A468 HydrophobicContact CD1-CB 4Å; F462-A468 HydrophobicContact CD2-CB 3.73Å; F462-A468 HydrophobicContact CE1-CB 3.93Å; F462-A468 HydrophobicContact CE2-CB 3.67Å; F462-A468 HydrophobicContact CG-CB 3.89Å; F462-A468 HydrophobicContact CZ-CB 3.75Å
463	D	98.6	Very high	98	Very high	70 Å²	70	29 Å²	29	37%	0.374	15%	0.154	S	C	.	.	S	Bend	trans	-106	-43.4	-178	-68.1	-32.3	0	0	0	113	Q362 R363 E467	Q362-D463 PolarHBondContact NE2-O 3.27Å; R363-D463 IonicContact CZ-OD1 3.14Å; R363-D463 IonicContact CZ-OD2 2.74Å; R363-D463 IonicContact NE-OD1 2.69Å; R363-D463 PolarHBondContact NE-OD1 3.39Å; R363-D463 IonicContact NE-OD2 2.67Å; R363-D463 VanDerWaalsContact NH2-CG 3.26Å; R363-D463 IonicContact NH2-OD1 2.76Å; R363-D463 PolarHBondContact NH2-OD1 3Å; R363-D463 IonicContact NH2-OD2 3.84Å; R363-D463 PolarHBondContact NH2-OD2 2.85Å; D463-E467 PolarHBondContact N-OE2 2.98Å
464	T	98.8	Very high	97.9	Very high	65 Å²	65	30.1 Å²	30.1	40%	0.399	17%	0.172	S	C	.	.			trans	-120.1	156.8	-171.6	63.8	0	0	0	0	113.5	F462 E466 E467 A468	F462-T464 WeakPolarHBondContact CD2-O 3.38Å; F462-T464 WeakPolarHBondContact CE2-O 3.41Å; T464-E466 VanDerWaalsContact C-N 3.28Å; T464-E466 WeakPolarHBondContact CB-OE2 3.49Å; T464-E466 PolarHBondContact O-N 3.22Å; T464-E467 PolarHBondContact N-OE2 3.33Å; T464-E467 PolarHBondContact O-N 3.27Å; T464-E467 WeakPolarHBondContact OG1-CB 3.39Å; T464-E467 PolarHBondContact OG1-N 3.45Å; T464-A468 PolarHBondContact O-N 3.2Å; T464-A468 VanDerWaalsContact O-N 3.1Å
465	E	98.7	Very high	97.6	Very high	19 Å²	19	30.9 Å²	30.9	9%	0.089	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-42.5	175.7	179.6	-179.5	132.3	0	0	111	F329 E467 A468 I469 Q490 R493 V494	F329-E465 HydrophobicContact CE1-CB 4.09Å; F329-E465 HydrophobicContact CE1-CG 3.97Å; F329-E465 HydrophobicContact CZ-CG 4.24Å; E465-E467 VanDerWaalsContact C-N 3.34Å; E465-E467 PolarHBondContact O-N 3.38Å; E465-A468 PolarHBondContact O-N 3.42Å; E465-I469 HydrophobicContact CG-CD1 3.96Å; E465-I469 WeakPolarHBondContact O-CG1 3.47Å; E465-I469 PolarHBondContact O-N 3.08Å; E465-Q490 VanDerWaalsContact OE2-CG 3.26Å; E465-Q490 WeakPolarHBondContact OE2-CG 3.42Å; E465-Q490 PolarHBondContact OE2-NE2 3.49Å; E465-R493 IonicContact OE1-CZ 3.3Å; E465-R493 IonicContact OE1-NE 3.37Å; E465-R493 PolarHBondContact OE1-NE 2.78Å; E465-R493 IonicContact OE1-NH2 3.3Å; E465-R493 PolarHBondContact OE1-NH2 2.96Å; E465-R493 IonicContact OE2-CZ 3.96Å; E465-R493 IonicContact OE2-NE 2.81Å; E465-R493 IonicContact OE2-NH2 3.14Å; E465-R493 PolarHBondContact OE2-NH2 2.74Å; E465-V494 HydrophobicContact CG-CG2 4.04Å
466	E	98.7	Very high	97.3	Very high	132 Å²	132	36.3 Å²	36.3	62%	0.617	21%	0.207	S	C	*	.	H	α-helix	trans	-61.9	-41.6	179.3	-62.4	75.5	-166.3	0	0	111.7	T464 A470	T464-E466 VanDerWaalsContact C-N 3.28Å; T464-E466 WeakPolarHBondContact CB-OE2 3.49Å; T464-E466 PolarHBondContact O-N 3.22Å; E466-A470 VanDerWaalsContact O-CB 3.32Å; E466-A470 WeakPolarHBondContact O-CB 3.45Å; E466-A470 PolarHBondContact O-N 2.82Å
467	E	98.4	Very high	97	Very high	67 Å²	67	37.8 Å²	37.8	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-63.5	-47.3	175.2	179.7	-171.6	-178.4	0	0	111.6	F462 D463 T464 E465 I469 A470 I471	F462-E467 HydrophobicContact CB-CG 4.24Å; D463-E467 PolarHBondContact N-OE2 2.98Å; T464-E467 PolarHBondContact N-OE2 3.33Å; T464-E467 PolarHBondContact O-N 3.27Å; T464-E467 WeakPolarHBondContact OG1-CB 3.39Å; T464-E467 PolarHBondContact OG1-N 3.45Å; E465-E467 VanDerWaalsContact C-N 3.34Å; E465-E467 PolarHBondContact O-N 3.38Å; E467-I469 VanDerWaalsContact C-N 3.31Å; E467-I469 PolarHBondContact O-N 3.01Å; E467-A470 PolarHBondContact O-N 3.31Å; E467-I471 HydrophobicContact CG-CD1 3.8Å; E467-I471 HydrophobicContact CG-CG1 4.42Å; E467-I471 VanDerWaalsContact O-CG1 3.25Å; E467-I471 WeakPolarHBondContact O-CG1 3.24Å; E467-I471 PolarHBondContact O-N 2.97Å
468	A	98.3	Very high	96.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-43.2	178.8	0	0	0	0	0	112	I327 F462 T464 E465 I471 A472	I327-A468 HydrophobicContact CG2-CB 4Å; F462-A468 HydrophobicContact CD1-CB 4Å; F462-A468 HydrophobicContact CD2-CB 3.73Å; F462-A468 HydrophobicContact CE1-CB 3.93Å; F462-A468 HydrophobicContact CE2-CB 3.67Å; F462-A468 HydrophobicContact CG-CB 3.89Å; F462-A468 HydrophobicContact CZ-CB 3.75Å; T464-A468 PolarHBondContact O-N 3.2Å; T464-A468 VanDerWaalsContact O-N 3.1Å; E465-A468 PolarHBondContact O-N 3.42Å; A468-I471 PolarHBondContact O-N 3.25Å; A468-A472 VanDerWaalsContact O-CB 3.26Å; A468-A472 WeakPolarHBondContact O-CB 3.22Å; A468-A472 PolarHBondContact O-N 3.22Å
469	I	98.4	Very high	96.8	Very high	13 Å²	13	38 Å²	38	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-44.7	176.7	-66.8	169.4	0	0	0	110.4	E465 E467 I471 A472 N473 V494 Q497	E465-I469 HydrophobicContact CG-CD1 3.96Å; E465-I469 WeakPolarHBondContact O-CG1 3.47Å; E465-I469 PolarHBondContact O-N 3.08Å; E467-I469 VanDerWaalsContact C-N 3.31Å; E467-I469 PolarHBondContact O-N 3.01Å; I469-I471 PolarHBondContact O-N 3.01Å; I469-A472 PolarHBondContact O-N 2.72Å; I469-N473 WeakPolarHBondContact CG2-ND2 3.11Å; I469-N473 WeakPolarHBondContact O-CB 3.46Å; I469-N473 PolarHBondContact O-N 2.9Å; I469-V494 HydrophobicContact CD1-CG2 4.24Å; I469-Q497 HydrophobicContact CD1-CB 4.21Å; I469-Q497 HydrophobicContact CG2-CB 4.16Å
470	A	98.1	Very high	96.8	Very high	62 Å²	62	38 Å²	38	51%	0.512	22%	0.218	S	C	.	.	H	α-helix	trans	-61.3	-43.5	178.5	0	0	0	0	0	112	E466 E467 A474	E466-A470 VanDerWaalsContact O-CB 3.32Å; E466-A470 WeakPolarHBondContact O-CB 3.45Å; E466-A470 PolarHBondContact O-N 2.82Å; E467-A470 PolarHBondContact O-N 3.31Å; A470-A474 WeakPolarHBondContact O-CB 3.49Å; A470-A474 PolarHBondContact O-N 2.98Å; A470-A474 VanDerWaalsContact O-N 3.13Å
471	I	96.6	Very high	96.8	Very high	14 Å²	14	37.6 Å²	37.6	7%	0.072	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-48	175.7	-65.2	167.7	0	0	0	110.6	L360 Q443 E467 A468 I469 N473 A474	L360-I471 HydrophobicContact CD1-CB 4.32Å; L360-I471 HydrophobicContact CD1-CG2 4.02Å; L360-I471 HydrophobicContact CD2-CB 4.14Å; L360-I471 HydrophobicContact CD2-CD1 4.19Å; L360-I471 HydrophobicContact CD2-CG2 3.44Å; L360-I471 VanDerWaalsContact CD2-CG2 3.44Å; L360-I471 HydrophobicContact CG-CG2 4.37Å; Q443-I471 HydrophobicContact CG-CG2 4.19Å; Q443-I471 VanDerWaalsContact NE2-CG2 3.34Å; E467-I471 HydrophobicContact CG-CD1 3.8Å; E467-I471 HydrophobicContact CG-CG1 4.42Å; E467-I471 VanDerWaalsContact O-CG1 3.25Å; E467-I471 WeakPolarHBondContact O-CG1 3.24Å; E467-I471 PolarHBondContact O-N 2.97Å; A468-I471 PolarHBondContact O-N 3.25Å; I469-I471 PolarHBondContact O-N 3.01Å; I471-N473 VanDerWaalsContact C-N 3.34Å; I471-N473 PolarHBondContact O-N 3.02Å; I471-A474 WeakPolarHBondContact O-CB 3.42Å; I471-A474 PolarHBondContact O-N 2.76Å
472	A	96.8	Very high	96.8	Very high	6 Å²	6	34 Å²	34	5%	0.05	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-40.1	-179.5	0	0	0	0	0	112.8	P325 I327 L360 A468 I469 L498	P325-A472 HydrophobicContact CB-CB 3.79Å; P325-A472 HydrophobicContact CG-CB 3.87Å; I327-A472 HydrophobicContact CD1-CB 4.22Å; L360-A472 HydrophobicContact CD1-CB 4.05Å; A468-A472 VanDerWaalsContact O-CB 3.26Å; A468-A472 WeakPolarHBondContact O-CB 3.22Å; A468-A472 PolarHBondContact O-N 3.22Å; I469-A472 PolarHBondContact O-N 2.72Å; A472-L498 HydrophobicContact CB-CD2 3.64Å
473	N	97.1	Very high	96.8	Very high	28 Å²	28	34 Å²	34	15%	0.15	20%	0.2	C	C	.	.	H	α-helix	trans	-82.9	-12.2	-177.3	-72.7	-16.6	0	0	0	113.9	I469 I471 A475 Q497 E499 K521	I469-N473 WeakPolarHBondContact CG2-ND2 3.11Å; I469-N473 WeakPolarHBondContact O-CB 3.46Å; I469-N473 PolarHBondContact O-N 2.9Å; I471-N473 VanDerWaalsContact C-N 3.34Å; I471-N473 PolarHBondContact O-N 3.02Å; N473-A475 PolarHBondContact O-N 3.41Å; N473-Q497 PolarHBondContact ND2-O 3.33Å; N473-E499 HydrophobicContact CB-CG 4.41Å; N473-E499 PolarHBondContact OD1-N 2.97Å; N473-K521 PolarHBondContact O-NZ 3.47Å
474	A	94.3	Very high	96.8	Very high	70 Å²	70	30.8 Å²	30.8	58%	0.579	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20	-179.7	0	0	0	0	0	113.7	A470 I471	A470-A474 WeakPolarHBondContact O-CB 3.49Å; A470-A474 PolarHBondContact O-N 2.98Å; A470-A474 VanDerWaalsContact O-N 3.13Å; I471-A474 WeakPolarHBondContact O-CB 3.42Å; I471-A474 PolarHBondContact O-N 2.76Å
475	A	90.3	Very high	96.9	Very high	16 Å²	16	27.7 Å²	27.7	13%	0.132	16%	0.164	C	C	.	.	S	Bend	trans	-71.5	139	176.5	0	0	0	0	0	111.9	L323 N473 V477 K521	L323-A475 HydrophobicContact CB-CB 4.5Å; L323-A475 HydrophobicContact CD2-CB 4.13Å; N473-A475 PolarHBondContact O-N 3.41Å; A475-V477 HydrophobicContact CB-CG2 3.9Å; A475-V477 PolarHBondContact O-N 3.44Å; A475-V477 VanDerWaalsContact O-N 3.16Å; A475-K521 PolarHBondContact O-NZ 3.32Å
476	D	91.6	Very high	96.9	Very high	113 Å²	113	32.4 Å²	32.4	60%	0.604	19%	0.186	S	C	*	.	S	Bend	trans	-66.7	-9.8	171.6	-80.8	-24.7	0	0	0	113.4	K521 Q522	D476-K521 WeakPolarHBondContact O-CB 3.31Å; D476-Q522 HydrophobicContact CB-CG 4.45Å; D476-Q522 VanDerWaalsContact O-CB 3.31Å; D476-Q522 WeakPolarHBondContact O-CB 3.38Å; D476-Q522 WeakPolarHBondContact O-CG 3.45Å; D476-Q522 PolarHBondContact O-N 3.15Å; D476-Q522 PolarHBondContact OD2-NE2 3.13Å
477	V	92.3	Very high	96.9	Very high	31 Å²	31	29.3 Å²	29.3	19%	0.188	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.2	-178.9	-70	0	0	0	0	109.6	G321 L323 A475 Q522 S523	G321-V477 WeakPolarHBondContact O-CG1 3.27Å; L323-V477 HydrophobicContact CB-CG2 3.6Å; A475-V477 HydrophobicContact CB-CG2 3.9Å; A475-V477 PolarHBondContact O-N 3.44Å; A475-V477 VanDerWaalsContact O-N 3.16Å; V477-Q522 HydrophobicContact CG1-CB 4.44Å; V477-S523 WeakPolarHBondContact CA-OG 3.3Å; V477-S523 VanDerWaalsContact CB-OG 3.26Å; V477-S523 WeakPolarHBondContact CB-OG 3.18Å
478	G	95.8	Very high	96.9	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	66.3	-175.9	0	0	0	0	0	111.2	E499 G501 G519 V520 S523	G478-E499 WeakPolarHBondContact CA-O 3.29Å; G478-G501 PolarHBondContact O-N 3.08Å; G478-G519 WeakPolarHBondContact O-CA 3.37Å; G478-V520 WeakPolarHBondContact O-CG2 3.45Å; G478-V520 PolarHBondContact O-N 3.13Å; G478-S523 PolarHBondContact N-OG 3.35Å
479	L	97	Very high	96.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	21%	0.206	C	C	.	.	S	Bend	trans	-88	-70.6	-178.6	-175.4	61.2	0	0	0	111.9	E319 C353 V354 G501 M502 F517 S523	E319-L479 HydrophobicContact CG-CD1 3.86Å; E319-L479 HydrophobicContact CG-CD2 4.36Å; E319-L479 VanDerWaalsContact OE1-CD2 3.27Å; E319-L479 WeakPolarHBondContact OE1-CD2 3.43Å; C353-L479 HydrophobicContact CB-CD2 3.61Å; V354-L479 HydrophobicContact CG1-CD2 4.11Å; V354-L479 HydrophobicContact CG1-CG 4.38Å; L479-G501 WeakPolarHBondContact O-CA 3.41Å; L479-G501 PolarHBondContact O-N 3.19Å; L479-G501 VanDerWaalsContact O-N 3.09Å; L479-M502 HydrophobicContact CD1-CE 3.51Å; L479-M502 HydrophobicContact CG-CE 3.67Å; L479-M502 VanDerWaalsContact O-CE 3.28Å; L479-M502 WeakPolarHBondContact O-CE 3.47Å; L479-M502 PolarHBondContact O-N 3.43Å; L479-M502 VanDerWaalsContact O-N 3.1Å; L479-F517 HydrophobicContact CD1-CE1 4.47Å; L479-S523 PolarHBondContact N-OG 3.24Å
480	A	97.9	Very high	96.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.2	178.4	0	0	0	0	0	110	A324 P325 V354 Y482 M502	A324-A480 VanDerWaalsContact CA-O 3.24Å; A324-A480 WeakPolarHBondContact CA-O 3.29Å; A324-A480 HydrophobicContact CB-CB 4.28Å; A324-A480 WeakPolarHBondContact CB-O 3.36Å; P325-A480 WeakPolarHBondContact CD-O 3.25Å; V354-A480 HydrophobicContact CB-CB 4.02Å; V354-A480 HydrophobicContact CG1-CB 3.92Å; A480-Y482 HydrophobicContact CB-CE2 4.12Å; A480-M502 CarbonylContact C-O 3.6Å; A480-M502 VanDerWaalsContact CA-O 3.29Å; A480-M502 WeakPolarHBondContact CA-O 3.38Å; A480-M502 HydrophobicContact CB-CE 4.24Å
481	G	98.3	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151	168.7	0	0	0	0	0	110.2	M502 V503 G504	G481-M502 PolarHBondContact N-O 3.13Å; G481-V503 CarbonylContact O-C 3.53Å; G481-V503 VanDerWaalsContact O-CA 3.26Å; G481-V503 WeakPolarHBondContact O-CA 3.37Å; G481-G504 PolarHBondContact O-N 3.4Å
482	Y	98.8	Very high	97	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.1	-178.4	-55.9	-87	0	0	0	108.9	A324 P325 F326 I327 V354 A480 G504 E507 I510	A324-Y482 HydrophobicContact CB-CD2 4.38Å; A324-Y482 HydrophobicContact CB-CE2 4.04Å; P325-Y482 PolarHBondContact O-N 2.99Å; F326-Y482 CarbonylContact C-O 3.58Å; F326-Y482 WeakPolarHBondContact CA-O 3.19Å; F326-Y482 VanDerWaalsContact CD2-CB 3.48Å; F326-Y482 HydrophobicContact CD2-CD2 4.29Å; F326-Y482 AromaticContact CD2-CG 3.99Å; F326-Y482 HydrophobicContact CD2-CG 3.99Å; I327-Y482 PolarHBondContact N-O 2.7Å; V354-Y482 WeakPolarHBondContact O-CE2 3.35Å; V354-Y482 PolarHBondContact O-OH 3.5Å; V354-Y482 VanDerWaalsContact O-OH 3.06Å; A480-Y482 HydrophobicContact CB-CE2 4.12Å; Y482-G504 CarbonylContact C-O 3.56Å; Y482-G504 WeakPolarHBondContact CA-O 3.15Å; Y482-E507 WeakPolarHBondContact CD1-O 3.09Å; Y482-I510 HydrophobicContact CE1-CD1 4.04Å; Y482-I510 HydrophobicContact CE1-CG1 4.15Å; Y482-I510 HydrophobicContact CE1-CG2 4.2Å
483	F	98.9	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.8	166	72.7	-88.9	0	0	0	113.3	I327 F329 I491 V494 A495 L498 V503 G504 V505 N506	I327-F483 HydrophobicContact CB-CB 3.77Å; I327-F483 CarbonylContact O-C 3.53Å; I327-F483 WeakPolarHBondContact O-CA 3.36Å; I327-F483 WeakPolarHBondContact O-CB 3.32Å; F329-F483 HydrophobicContact CD2-CD2 4.31Å; F329-F483 HydrophobicContact CE2-CB 4.13Å; F329-F483 HydrophobicContact CE2-CD2 4.02Å; F329-F483 HydrophobicContact CE2-CG 4.33Å; F483-I491 HydrophobicContact CE2-CB 4.25Å; F483-I491 HydrophobicContact CE2-CG1 3.94Å; F483-I491 HydrophobicContact CE2-CG2 4.48Å; F483-I491 HydrophobicContact CZ-CB 4.36Å; F483-I491 HydrophobicContact CZ-CG1 4.48Å; F483-I491 HydrophobicContact CZ-CG2 4.19Å; F483-I491 VanDerWaalsContact CZ-O 3.31Å; F483-I491 WeakPolarHBondContact CZ-O 3.47Å; F483-V494 HydrophobicContact CB-CG1 4.42Å; F483-V494 HydrophobicContact CD1-CB 4.37Å; F483-V494 HydrophobicContact CD1-CG1 3.63Å; F483-V494 HydrophobicContact CD2-CG1 4.24Å; F483-V494 HydrophobicContact CE1-CB 4.12Å; F483-V494 HydrophobicContact CE1-CG1 3.84Å; F483-V494 HydrophobicContact CE2-CB 4.3Å; F483-V494 HydrophobicContact CE2-CG1 4.45Å; F483-V494 HydrophobicContact CG-CG1 3.84Å; F483-V494 HydrophobicContact CZ-CB 4.1Å; F483-V494 HydrophobicContact CZ-CG1 4.26Å; F483-A495 HydrophobicContact CE1-CB 4.03Å; F483-A495 HydrophobicContact CZ-CB 4.2Å; F483-L498 HydrophobicContact CD1-CD1 4.12Å; F483-V503 HydrophobicContact CD1-CG1 3.99Å; F483-V503 HydrophobicContact CE1-CG1 3.68Å; F483-G504 PolarHBondContact N-O 2.99Å; F483-V505 HydrophobicContact CE1-CG2 3.64Å; F483-V505 HydrophobicContact CE2-CG1 3.92Å; F483-V505 HydrophobicContact CE2-CG2 4.43Å; F483-V505 HydrophobicContact CZ-CB 4.21Å; F483-V505 HydrophobicContact CZ-CG1 3.83Å; F483-V505 HydrophobicContact CZ-CG2 3.56Å; F483-N506 PolarHBondContact O-N 2.97Å
484	Y	98.9	Very high	97.2	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.6	177.1	-77.7	-105.7	0	0	0	109.8	F326 I327 F329 A332 Q336 A337 G340 N506 E507 G508	F326-Y484 AromaticContact CE1-CD2 3.89Å; F326-Y484 HydrophobicContact CE1-CD2 3.89Å; F326-Y484 HydrophobicContact CE1-CE2 4.11Å; F326-Y484 HydrophobicContact CE2-CD2 4.17Å; F326-Y484 AromaticContact CE2-CE2 3.65Å; F326-Y484 HydrophobicContact CE2-CE2 3.65Å; F326-Y484 AromaticContact CZ-CD2 3.49Å; F326-Y484 HydrophobicContact CZ-CD2 3.49Å; F326-Y484 VanDerWaalsContact CZ-CD2 3.49Å; F326-Y484 AromaticContact CZ-CE2 3.23Å; F326-Y484 HydrophobicContact CZ-CE2 3.23Å; I327-Y484 PolarHBondContact O-N 2.95Å; F329-Y484 WeakPolarHBondContact CD2-O 3.31Å; F329-Y484 PolarHBondContact N-O 3.07Å; F329-Y484 VanDerWaalsContact N-O 3.16Å; A332-Y484 WeakPolarHBondContact CB-O 3.26Å; Q336-Y484 HydrophobicContact CB-CD1 4.28Å; Q336-Y484 HydrophobicContact CB-CE1 3.98Å; Q336-Y484 VanDerWaalsContact O-CE1 3.24Å; Q336-Y484 WeakPolarHBondContact O-CE1 3.33Å; A337-Y484 VanDerWaalsContact CA-CD1 3.46Å; A337-Y484 HydrophobicContact CB-CD1 3.83Å; A337-Y484 HydrophobicContact CB-CD2 4.29Å; A337-Y484 HydrophobicContact CB-CE1 4.45Å; A337-Y484 HydrophobicContact CB-CG 3.75Å; G340-Y484 WeakPolarHBondContact CA-OH 3.4Å; Y484-N506 VanDerWaalsContact CA-OD1 3.27Å; Y484-N506 WeakPolarHBondContact CA-OD1 3.35Å; Y484-N506 HydrophobicContact CD1-CB 4.11Å; Y484-N506 WeakPolarHBondContact CD1-OD1 3.23Å; Y484-N506 VanDerWaalsContact CE1-CA 3.41Å; Y484-N506 HydrophobicContact CE1-CB 4.14Å; Y484-N506 WeakPolarHBondContact CE1-O 3.49Å; Y484-N506 VanDerWaalsContact OH-C 3.31Å; Y484-N506 PolarHBondContact OH-O 3.45Å; Y484-E507 VanDerWaalsContact OH-CA 3.29Å; Y484-E507 WeakPolarHBondContact OH-CA 3.43Å; Y484-E507 PolarHBondContact OH-N 3.12Å; Y484-G508 PolarHBondContact OH-N 3.34Å
485	S	98.8	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.			trans	-159.6	151.4	-179.6	178	0	0	0	0	109.6	S331 D487 Q490 N506	S331-S485 PolarHBondContact OG-OG 2.86Å; S485-D487 PolarHBondContact OG-N 3.38Å; S485-Q490 PolarHBondContact OG-OE1 3.3Å; S485-N506 PolarHBondContact N-OD1 3.36Å; S485-N506 PolarHBondContact O-ND2 3.02Å; S485-N506 PolarHBondContact O-OD1 2.66Å
486	Q	98.7	Very high	97.8	Very high	118 Å²	118	46.9 Å²	46.9	55%	0.551	24%	0.238	S	C	*	.	S	Bend	trans	-109.6	0.1	171.4	-65.9	-66	-51.5	0	0	112.9	S331 P488	S331-Q486 VanDerWaalsContact O-CB 3.3Å; S331-Q486 WeakPolarHBondContact O-CB 3.12Å; S331-Q486 WeakPolarHBondContact O-CG 3.37Å; S331-Q486 PolarHBondContact OG-N 3.26Å; Q486-P488 WeakPolarHBondContact O-CD 3.41Å
487	D	98.7	Very high	98.2	Very high	66 Å²	66	46 Å²	46	35%	0.353	23%	0.231	S	C	.	.			trans	-86.5	114.2	176.1	176.1	-21.8	0	0	0	109.7	S485 A489 Q490 I491	S485-D487 PolarHBondContact OG-N 3.38Å; D487-A489 VanDerWaalsContact C-N 3.29Å; D487-A489 PolarHBondContact O-N 2.79Å; D487-A489 WeakPolarHBondContact OD1-CA 3.32Å; D487-A489 WeakPolarHBondContact OD1-CB 3.21Å; D487-A489 PolarHBondContact OD1-N 3.05Å; D487-Q490 HydrophobicContact CB-CB 3.78Å; D487-Q490 PolarHBondContact O-N 3.3Å; D487-Q490 PolarHBondContact OD1-N 2.92Å; D487-Q490 VanDerWaalsContact OD1-N 3.11Å; D487-I491 VanDerWaalsContact O-CG1 3.26Å; D487-I491 WeakPolarHBondContact O-CG1 3.3Å; D487-I491 PolarHBondContact O-N 3.48Å
488	P	98.6	Very high	98.4	Very high	90 Å²	90	44.9 Å²	44.9	58%	0.584	22%	0.224	S	C	*	.	H	α-helix	trans	-59.1	-36	-179.4	-25	35.8	0	0	0	114.1	Q486 I491 W492	Q486-P488 WeakPolarHBondContact O-CD 3.41Å; P488-I491 PolarHBondContact O-N 3.48Å; P488-W492 VanDerWaalsContact O-CD1 3.29Å; P488-W492 PolarHBondContact O-N 2.96Å
489	A	98.7	Very high	98.6	Very high	50 Å²	50	49.5 Å²	49.5	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-72.8	-40.7	-180	0	0	0	0	0	111	D487 I491 W492 R493	D487-A489 VanDerWaalsContact C-N 3.29Å; D487-A489 PolarHBondContact O-N 2.79Å; D487-A489 WeakPolarHBondContact OD1-CA 3.32Å; D487-A489 WeakPolarHBondContact OD1-CB 3.21Å; D487-A489 PolarHBondContact OD1-N 3.05Å; A489-I491 VanDerWaalsContact C-N 3.33Å; A489-W492 PolarHBondContact O-N 3.28Å; A489-R493 WeakPolarHBondContact O-CG 3.33Å; A489-R493 PolarHBondContact O-N 3Å; A489-R493 VanDerWaalsContact O-N 3.08Å
490	Q	98.8	Very high	98.6	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.075	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-40.7	173	178	169.5	79.7	0	0	111.6	F329 E465 S485 D487 W492 R493 V494	F329-Q490 HydrophobicContact CD2-CG 4.49Å; F329-Q490 HydrophobicContact CE2-CG 4.43Å; F329-Q490 VanDerWaalsContact CG-OE1 3.23Å; E465-Q490 VanDerWaalsContact OE2-CG 3.26Å; E465-Q490 WeakPolarHBondContact OE2-CG 3.42Å; E465-Q490 PolarHBondContact OE2-NE2 3.49Å; S485-Q490 PolarHBondContact OG-OE1 3.3Å; D487-Q490 HydrophobicContact CB-CB 3.78Å; D487-Q490 PolarHBondContact O-N 3.3Å; D487-Q490 PolarHBondContact OD1-N 2.92Å; D487-Q490 VanDerWaalsContact OD1-N 3.11Å; Q490-W492 VanDerWaalsContact C-N 3.34Å; Q490-W492 PolarHBondContact O-N 3.24Å; Q490-R493 PolarHBondContact O-N 2.68Å; Q490-V494 HydrophobicContact CG-CG2 3.87Å; Q490-V494 WeakPolarHBondContact O-CB 3.33Å; Q490-V494 VanDerWaalsContact O-CG2 3.27Å; Q490-V494 WeakPolarHBondContact O-CG2 3.31Å; Q490-V494 PolarHBondContact O-N 3.3Å
491	I	98.8	Very high	98.6	Very high	36 Å²	36	51.4 Å²	51.4	19%	0.185	26%	0.261	C	S	.	.	H	α-helix	trans	-54.8	-50.3	177.7	-74.4	163.7	0	0	0	111.1	F483 D487 P488 A489 A495 V505	F483-I491 HydrophobicContact CE2-CB 4.25Å; F483-I491 HydrophobicContact CE2-CG1 3.94Å; F483-I491 HydrophobicContact CE2-CG2 4.48Å; F483-I491 HydrophobicContact CZ-CB 4.36Å; F483-I491 HydrophobicContact CZ-CG1 4.48Å; F483-I491 HydrophobicContact CZ-CG2 4.19Å; F483-I491 VanDerWaalsContact CZ-O 3.31Å; F483-I491 WeakPolarHBondContact CZ-O 3.47Å; D487-I491 VanDerWaalsContact O-CG1 3.26Å; D487-I491 WeakPolarHBondContact O-CG1 3.3Å; D487-I491 PolarHBondContact O-N 3.48Å; P488-I491 PolarHBondContact O-N 3.48Å; A489-I491 VanDerWaalsContact C-N 3.33Å; I491-A495 WeakPolarHBondContact O-CB 3.17Å; I491-A495 PolarHBondContact O-N 3.49Å; I491-V505 HydrophobicContact CB-CG1 4.49Å; I491-V505 HydrophobicContact CD1-CG1 4.37Å; I491-V505 HydrophobicContact CG1-CG1 4.06Å; I491-V505 HydrophobicContact CG2-CG1 3.69Å; I491-V505 HydrophobicContact CG2-CG2 4.5Å
492	W	98.8	Very high	98.7	Very high	177 Å²	177	52.4 Å²	52.4	67%	0.67	27%	0.266	S	S	*	.	H	α-helix	trans	-66.2	-47.5	178.9	-79.3	99	0	0	0	112.2	P488 A489 Q490 V494 A495 E496	P488-W492 VanDerWaalsContact O-CD1 3.29Å; P488-W492 PolarHBondContact O-N 2.96Å; A489-W492 PolarHBondContact O-N 3.28Å; Q490-W492 VanDerWaalsContact C-N 3.34Å; Q490-W492 PolarHBondContact O-N 3.24Å; W492-V494 PolarHBondContact O-N 3.48Å; W492-A495 PolarHBondContact O-N 3.01Å; W492-E496 WeakPolarHBondContact O-CG 3.34Å; W492-E496 PolarHBondContact O-N 3.38Å
493	R	98.8	Very high	98.7	Very high	97 Å²	97	54.6 Å²	54.6	37%	0.366	28%	0.28	S	S	.	.	H	α-helix	trans	-56.9	-46.7	-179.9	-77.8	-165.4	-50.8	-87.6	-0.1	112.6	E465 A489 Q490 Q497	E465-R493 IonicContact OE1-CZ 3.3Å; E465-R493 IonicContact OE1-NE 3.37Å; E465-R493 PolarHBondContact OE1-NE 2.78Å; E465-R493 IonicContact OE1-NH2 3.3Å; E465-R493 PolarHBondContact OE1-NH2 2.96Å; E465-R493 IonicContact OE2-CZ 3.96Å; E465-R493 IonicContact OE2-NE 2.81Å; E465-R493 IonicContact OE2-NH2 3.14Å; E465-R493 PolarHBondContact OE2-NH2 2.74Å; A489-R493 WeakPolarHBondContact O-CG 3.33Å; A489-R493 PolarHBondContact O-N 3Å; A489-R493 VanDerWaalsContact O-N 3.08Å; Q490-R493 PolarHBondContact O-N 2.68Å; R493-Q497 VanDerWaalsContact O-CB 3.24Å; R493-Q497 WeakPolarHBondContact O-CB 3.47Å; R493-Q497 WeakPolarHBondContact O-CG 3.43Å; R493-Q497 PolarHBondContact O-N 3.02Å; R493-Q497 VanDerWaalsContact O-N 3.11Å; R493-Q497 PolarHBondContact O-NE2 3.02Å
494	V	98.8	Very high	98.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-72.3	-42	-177.6	177.6	0	0	0	0	110.5	I327 F329 E465 I469 F483 Q490 W492 E496 Q497 L498	I327-V494 HydrophobicContact CD1-CG1 4.5Å; F329-V494 HydrophobicContact CE2-CG1 4.21Å; F329-V494 HydrophobicContact CE2-CG2 3.88Å; F329-V494 HydrophobicContact CZ-CG1 4.3Å; F329-V494 HydrophobicContact CZ-CG2 3.61Å; E465-V494 HydrophobicContact CG-CG2 4.04Å; I469-V494 HydrophobicContact CD1-CG2 4.24Å; F483-V494 HydrophobicContact CB-CG1 4.42Å; F483-V494 HydrophobicContact CD1-CB 4.37Å; F483-V494 HydrophobicContact CD1-CG1 3.63Å; F483-V494 HydrophobicContact CD2-CG1 4.24Å; F483-V494 HydrophobicContact CE1-CB 4.12Å; F483-V494 HydrophobicContact CE1-CG1 3.84Å; F483-V494 HydrophobicContact CE2-CB 4.3Å; F483-V494 HydrophobicContact CE2-CG1 4.45Å; F483-V494 HydrophobicContact CG-CG1 3.84Å; F483-V494 HydrophobicContact CZ-CB 4.1Å; F483-V494 HydrophobicContact CZ-CG1 4.26Å; Q490-V494 HydrophobicContact CG-CG2 3.87Å; Q490-V494 WeakPolarHBondContact O-CB 3.33Å; Q490-V494 VanDerWaalsContact O-CG2 3.27Å; Q490-V494 WeakPolarHBondContact O-CG2 3.31Å; Q490-V494 PolarHBondContact O-N 3.3Å; W492-V494 PolarHBondContact O-N 3.48Å; V494-E496 VanDerWaalsContact C-N 3.28Å; V494-E496 PolarHBondContact O-N 3.3Å; V494-Q497 PolarHBondContact O-N 3.36Å; V494-L498 HydrophobicContact CG1-CD1 3.9Å; V494-L498 HydrophobicContact CG1-CG 4.04Å; V494-L498 WeakPolarHBondContact O-CG 3.46Å; V494-L498 PolarHBondContact O-N 3.11Å
495	A	98.7	Very high	98.6	Very high	33 Å²	33	57 Å²	57	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-36.3	179	0	0	0	0	0	112.8	F483 I491 W492 V503	F483-A495 HydrophobicContact CE1-CB 4.03Å; F483-A495 HydrophobicContact CZ-CB 4.2Å; I491-A495 WeakPolarHBondContact O-CB 3.17Å; I491-A495 PolarHBondContact O-N 3.49Å; W492-A495 PolarHBondContact O-N 3.01Å; A495-V503 HydrophobicContact CB-CG1 4.38Å
496	E	98.6	Very high	98.6	Very high	146 Å²	146	59.2 Å²	59.2	68%	0.682	31%	0.307	S	S	*	.	H	α-helix	trans	-80.6	-30.7	178.4	-67.8	177.1	161.4	0	0	113.3	W492 V494	W492-E496 WeakPolarHBondContact O-CG 3.34Å; W492-E496 PolarHBondContact O-N 3.38Å; V494-E496 VanDerWaalsContact C-N 3.28Å; V494-E496 PolarHBondContact O-N 3.3Å
497	Q	98.7	Very high	98.6	Very high	95 Å²	95	58 Å²	58	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-88.7	-19.1	-176.5	-73.5	178.2	78.1	0	0	114.4	I469 N473 R493 V494 E499	I469-Q497 HydrophobicContact CD1-CB 4.21Å; I469-Q497 HydrophobicContact CG2-CB 4.16Å; N473-Q497 PolarHBondContact ND2-O 3.33Å; R493-Q497 VanDerWaalsContact O-CB 3.24Å; R493-Q497 WeakPolarHBondContact O-CB 3.47Å; R493-Q497 WeakPolarHBondContact O-CG 3.43Å; R493-Q497 PolarHBondContact O-N 3.02Å; R493-Q497 VanDerWaalsContact O-N 3.11Å; R493-Q497 PolarHBondContact O-NE2 3.02Å; V494-Q497 PolarHBondContact O-N 3.36Å; Q497-E499 PolarHBondContact O-N 3.29Å
498	L	98.5	Very high	98.5	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.042	28%	0.284	C	S	.	.	S	Bend	trans	-68.4	119.5	174.3	-78.4	177.1	0	0	0	110.4	I327 A472 F483 V494 V500	I327-L498 HydrophobicContact CD1-CD1 4.39Å; I327-L498 HydrophobicContact CD1-CD2 4.01Å; A472-L498 HydrophobicContact CB-CD2 3.64Å; F483-L498 HydrophobicContact CD1-CD1 4.12Å; V494-L498 HydrophobicContact CG1-CD1 3.9Å; V494-L498 HydrophobicContact CG1-CG 4.04Å; V494-L498 WeakPolarHBondContact O-CG 3.46Å; V494-L498 PolarHBondContact O-N 3.11Å; L498-V500 HydrophobicContact CB-CG2 4.04Å; L498-V500 PolarHBondContact O-N 3.24Å
499	E	98.3	Very high	98.4	Very high	98 Å²	98	54.4 Å²	54.4	46%	0.458	28%	0.276	S	S	.	.			trans	-82.5	59	-178.1	-62.8	-179.2	143.8	0	0	111.4	N473 G478 Q497 V520 K521	N473-E499 HydrophobicContact CB-CG 4.41Å; N473-E499 PolarHBondContact OD1-N 2.97Å; G478-E499 WeakPolarHBondContact CA-O 3.29Å; Q497-E499 PolarHBondContact O-N 3.29Å; E499-V520 VanDerWaalsContact O-CG2 3.25Å; E499-V520 WeakPolarHBondContact O-CG2 3.4Å; E499-K521 WeakPolarHBondContact OE2-CE 3.4Å; E499-K521 IonicContact OE2-NZ 2.93Å; E499-K521 PolarHBondContact OE2-NZ 3.03Å
500	V	98.4	Very high	98.3	Very high	21 Å²	21	54 Å²	54	13%	0.127	27%	0.267	C	S	.	.	S	Bend	trans	-126.3	159.3	-179	-60.6	0	0	0	0	110.9	L498 M502 V503	L498-V500 HydrophobicContact CB-CG2 4.04Å; L498-V500 PolarHBondContact O-N 3.24Å; V500-M502 VanDerWaalsContact CG2-O 3.29Å; V500-M502 WeakPolarHBondContact CG2-O 3.48Å; V500-V503 HydrophobicContact CG2-CG2 3.51Å
501	G	98.1	Very high	98.1	Very high	23 Å²	23	55.3 Å²	55.3	24%	0.237	28%	0.278	C	S	.	.	S	Bend	trans	-78	-22.4	178.4	0	0	0	0	0	114.5	G478 L479 G518	G478-G501 PolarHBondContact O-N 3.08Å; L479-G501 WeakPolarHBondContact O-CA 3.41Å; L479-G501 PolarHBondContact O-N 3.19Å; L479-G501 VanDerWaalsContact O-N 3.09Å; G501-G518 WeakPolarHBondContact CA-O 3.21Å
502	M	98.6	Very high	98.1	Very high	21 Å²	21	54.7 Å²	54.7	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	136.7	-175.2	-59	167.3	-74.3	0	0	110.5	V354 L479 A480 G481 V500 I510 F517	V354-M502 HydrophobicContact CG1-CE 4.18Å; L479-M502 HydrophobicContact CD1-CE 3.51Å; L479-M502 HydrophobicContact CG-CE 3.67Å; L479-M502 VanDerWaalsContact O-CE 3.28Å; L479-M502 WeakPolarHBondContact O-CE 3.47Å; L479-M502 PolarHBondContact O-N 3.43Å; L479-M502 VanDerWaalsContact O-N 3.1Å; A480-M502 CarbonylContact C-O 3.6Å; A480-M502 VanDerWaalsContact CA-O 3.29Å; A480-M502 WeakPolarHBondContact CA-O 3.38Å; A480-M502 HydrophobicContact CB-CE 4.24Å; G481-M502 PolarHBondContact N-O 3.13Å; V500-M502 VanDerWaalsContact CG2-O 3.29Å; V500-M502 WeakPolarHBondContact CG2-O 3.48Å; M502-I510 HydrophobicContact CB-CD1 3.83Å; M502-F517 HydrophobicContact CE-CD1 4.23Å; M502-F517 HydrophobicContact CE-CD2 4.09Å; M502-F517 HydrophobicContact CE-CE1 4.05Å; M502-F517 HydrophobicContact CE-CE2 3.91Å; M502-F517 HydrophobicContact CE-CG 4.25Å; M502-F517 HydrophobicContact CE-CZ 3.9Å; M502-F517 HydrophobicContact SD-CB 4.15Å; M502-F517 HydrophobicContact SD-CD1 4.19Å; M502-F517 HydrophobicContact SD-CD2 3.32Å; M502-F517 WeakPolarHBondContact SD-CD2 3.5Å; M502-F517 HydrophobicContact SD-CE1 4.46Å; M502-F517 HydrophobicContact SD-CE2 3.65Å; M502-F517 HydrophobicContact SD-CG 3.63Å; M502-F517 HydrophobicContact SD-CZ 4.23Å
503	V	98.8	Very high	98.1	Very high	48 Å²	48	46.9 Å²	46.9	29%	0.291	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.1	-178.1	-178.8	0	0	0	0	110.8	G481 F483 A495 V500 V505	G481-V503 CarbonylContact O-C 3.53Å; G481-V503 VanDerWaalsContact O-CA 3.26Å; G481-V503 WeakPolarHBondContact O-CA 3.37Å; F483-V503 HydrophobicContact CD1-CG1 3.99Å; F483-V503 HydrophobicContact CE1-CG1 3.68Å; A495-V503 HydrophobicContact CB-CG1 4.38Å; V500-V503 HydrophobicContact CG2-CG2 3.51Å; V503-V505 HydrophobicContact CG1-CG2 4.13Å
504	G	98.7	Very high	98.1	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.7	167.7	0	0	0	0	0	111.4	G481 Y482 F483	G481-G504 PolarHBondContact O-N 3.4Å; Y482-G504 CarbonylContact C-O 3.56Å; Y482-G504 WeakPolarHBondContact CA-O 3.15Å; F483-G504 PolarHBondContact N-O 2.99Å
505	V	98.8	Very high	98	Very high	53 Å²	53	50.2 Å²	50.2	32%	0.321	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.5	177.5	-175.9	0	0	0	0	108.6	F483 I491 V503 E507	F483-V505 HydrophobicContact CE1-CG2 3.64Å; F483-V505 HydrophobicContact CE2-CG1 3.92Å; F483-V505 HydrophobicContact CE2-CG2 4.43Å; F483-V505 HydrophobicContact CZ-CB 4.21Å; F483-V505 HydrophobicContact CZ-CG1 3.83Å; F483-V505 HydrophobicContact CZ-CG2 3.56Å; I491-V505 HydrophobicContact CB-CG1 4.49Å; I491-V505 HydrophobicContact CD1-CG1 4.37Å; I491-V505 HydrophobicContact CG1-CG1 4.06Å; I491-V505 HydrophobicContact CG2-CG1 3.69Å; I491-V505 HydrophobicContact CG2-CG2 4.5Å; V503-V505 HydrophobicContact CG1-CG2 4.13Å; V505-E507 PolarHBondContact O-N 2.96Å; V505-E507 VanDerWaalsContact O-N 3.08Å
506	N	98.6	Very high	98	Very high	46 Å²	46	51.2 Å²	51.2	25%	0.246	28%	0.278	C	S	.	.	S	Bend	trans	54.4	22.2	-174.7	-62.5	-50.7	0	0	0	114.4	F483 Y484 S485	F483-N506 PolarHBondContact O-N 2.97Å; Y484-N506 VanDerWaalsContact CA-OD1 3.27Å; Y484-N506 WeakPolarHBondContact CA-OD1 3.35Å; Y484-N506 HydrophobicContact CD1-CB 4.11Å; Y484-N506 WeakPolarHBondContact CD1-OD1 3.23Å; Y484-N506 VanDerWaalsContact CE1-CA 3.41Å; Y484-N506 HydrophobicContact CE1-CB 4.14Å; Y484-N506 WeakPolarHBondContact CE1-O 3.49Å; Y484-N506 VanDerWaalsContact OH-C 3.31Å; Y484-N506 PolarHBondContact OH-O 3.45Å; S485-N506 PolarHBondContact N-OD1 3.36Å; S485-N506 PolarHBondContact O-ND2 3.02Å; S485-N506 PolarHBondContact O-OD1 2.66Å
507	E	98.4	Very high	98	Very high	92 Å²	92	45.1 Å²	45.1	43%	0.43	25%	0.25	S	C	.	.			trans	-142.6	132.9	179.9	176.9	54.9	-97.4	0	0	109.7	Y482 Y484 V505 L509 I510	Y482-E507 WeakPolarHBondContact CD1-O 3.09Å; Y484-E507 VanDerWaalsContact OH-CA 3.29Å; Y484-E507 WeakPolarHBondContact OH-CA 3.43Å; Y484-E507 PolarHBondContact OH-N 3.12Å; V505-E507 PolarHBondContact O-N 2.96Å; V505-E507 VanDerWaalsContact O-N 3.08Å; E507-L509 PolarHBondContact OE1-N 3.38Å; E507-I510 HydrophobicContact CG-CG2 4.41Å
508	G	96.3	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-97.3	-12.2	-179.9	0	0	0	0	0	113.9	Y484	Y484-G508 PolarHBondContact OH-N 3.34Å
509	L	95.9	Very high	97.9	Very high	80 Å²	80	40.4 Å²	40.4	42%	0.419	23%	0.228	S	C	.	.			trans	-121	97.2	-179.8	-64.5	-179.6	0	0	0	111.3	A343 E507	A343-L509 HydrophobicContact CB-CD1 4Å; A343-L509 HydrophobicContact CB-CD2 4.06Å; A343-L509 HydrophobicContact CB-CG 3.81Å; E507-L509 PolarHBondContact OE1-N 3.38Å
510	I	97	Very high	97.9	Very high	41 Å²	41	38.1 Å²	38.1	21%	0.21	22%	0.221	C	C	.	.			trans	-105	9.5	-175.8	63.4	175.5	0	0	0	114.1	Y482 M502 E507 S512	Y482-I510 HydrophobicContact CE1-CD1 4.04Å; Y482-I510 HydrophobicContact CE1-CG1 4.15Å; Y482-I510 HydrophobicContact CE1-CG2 4.2Å; M502-I510 HydrophobicContact CB-CD1 3.83Å; E507-I510 HydrophobicContact CG-CG2 4.41Å; I510-S512 PolarHBondContact O-N 3.5Å
511	S	95.2	Very high	97.8	Very high	44 Å²	44	41.3 Å²	41.3	31%	0.308	23%	0.233	S	C	.	.			trans	-69.6	120.3	-178.8	-57.6	0	0	0	0	110.8	R347	R347-S511 PolarHBondContact NH1-OG 3.42Å
512	S	98.1	Very high	97.8	Very high	24 Å²	24	43.3 Å²	43.3	17%	0.168	24%	0.236	C	C	.	.			trans	-152.1	138.7	-179	153.6	0	0	0	0	109	Y159 I510 E514	Y159-S512 PolarHBondContact OH-N 3.41Å; Y159-S512 PolarHBondContact OH-O 3.45Å; I510-S512 PolarHBondContact O-N 3.5Å; S512-E514 WeakPolarHBondContact OG-CG 3.32Å; S512-E514 PolarHBondContact OG-OE1 2.96Å; S512-E514 PolarHBondContact OG-OE2 3.3Å
513	V	98.5	Very high	97.7	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.073	23%	0.231	C	C	.	.	S	Bend	trans	-77.6	-26.9	-175.2	-60.6	0	0	0	0	112.1	Y159 F162 F163 W166 C515 G529 S530	Y159-V513 HydrophobicContact CD2-CG1 3.72Å; Y159-V513 HydrophobicContact CE2-CG1 3.52Å; F162-V513 HydrophobicContact CB-CG1 3.77Å; F162-V513 HydrophobicContact CB-CG2 4.17Å; F163-V513 HydrophobicContact CD1-CB 3.9Å; F163-V513 HydrophobicContact CD1-CG1 3.82Å; F163-V513 HydrophobicContact CD2-CG1 3.95Å; F163-V513 HydrophobicContact CE1-CB 3.84Å; F163-V513 HydrophobicContact CE1-CG1 3.81Å; F163-V513 HydrophobicContact CE2-CG1 3.95Å; F163-V513 HydrophobicContact CG-CB 4.43Å; F163-V513 HydrophobicContact CG-CG1 3.88Å; F163-V513 HydrophobicContact CZ-CB 4.33Å; F163-V513 HydrophobicContact CZ-CG1 3.87Å; W166-V513 HydrophobicContact CB-CB 4.4Å; W166-V513 HydrophobicContact CB-CG2 4.11Å; W166-V513 HydrophobicContact CE3-CG2 4.48Å; W166-V513 HydrophobicContact CG-CG2 4.39Å; V513-C515 VanDerWaalsContact C-N 3.34Å; V513-G529 CarbonylContact O-C 3.59Å; V513-G529 WeakPolarHBondContact O-CA 3.5Å; V513-S530 PolarHBondContact O-N 3.21Å
514	E	98.3	Very high	97.7	Very high	105 Å²	105	40.5 Å²	40.5	49%	0.491	22%	0.222	S	C	.	.	S	Bend	trans	-82.2	-8.8	178	61.9	-81.2	175.2	0	0	113.9	W166 S512 S530	W166-E514 HydrophobicContact CD2-CB 4.49Å; W166-E514 HydrophobicContact CE3-CB 4.01Å; W166-E514 HydrophobicContact CH2-CB 3.49Å; W166-E514 VanDerWaalsContact CH2-CB 3.49Å; W166-E514 HydrophobicContact CZ2-CB 4.02Å; W166-E514 HydrophobicContact CZ3-CB 3.49Å; W166-E514 VanDerWaalsContact CZ3-CB 3.49Å; S512-E514 WeakPolarHBondContact OG-CG 3.32Å; S512-E514 PolarHBondContact OG-OE1 2.96Å; S512-E514 PolarHBondContact OG-OE2 3.3Å; E514-S530 WeakPolarHBondContact O-CA 3.27Å; E514-S530 WeakPolarHBondContact O-CB 3.27Å
515	C	98.5	Very high	97.7	Very high	63 Å²	63	44.4 Å²	44.4	43%	0.426	24%	0.242	S	C	.	.	S	Bend	trans	-101.2	144.4	179.5	-73.4	0	0	0	0	112.5	V513 F517	V513-C515 VanDerWaalsContact C-N 3.34Å; C515-F517 PolarHBondContact O-N 3Å
516	P	98.3	Very high	97.6	Very high	54 Å²	54	43.1 Å²	43.1	35%	0.351	24%	0.239	S	C	.	.			trans	-72.9	121.8	-179.6	27.3	-32.2	0	0	0	110.7	R527 Y532	P516-R527 HydrophobicContact CB-CB 4.11Å; P516-R527 HydrophobicContact CB-CG 4.13Å; P516-Y532 HydrophobicContact CB-CD2 4.08Å; P516-Y532 HydrophobicContact CG-CD2 4.29Å
517	F	98.6	Very high	97.6	Very high	18 Å²	18	43.9 Å²	43.9	8%	0.079	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-106.5	127.9	178.8	-166.5	-78.3	0	0	0	110.9	E319 V354 L479 M502 C515 R527 E528	E319-F517 HydrophobicContact CG-CD1 4.37Å; E319-F517 HydrophobicContact CG-CE1 3.92Å; V354-F517 HydrophobicContact CG1-CE2 3.83Å; V354-F517 HydrophobicContact CG1-CZ 3.46Å; V354-F517 VanDerWaalsContact CG1-CZ 3.46Å; L479-F517 HydrophobicContact CD1-CE1 4.47Å; M502-F517 HydrophobicContact CE-CD1 4.23Å; M502-F517 HydrophobicContact CE-CD2 4.09Å; M502-F517 HydrophobicContact CE-CE1 4.05Å; M502-F517 HydrophobicContact CE-CE2 3.91Å; M502-F517 HydrophobicContact CE-CG 4.25Å; M502-F517 HydrophobicContact CE-CZ 3.9Å; M502-F517 HydrophobicContact SD-CB 4.15Å; M502-F517 HydrophobicContact SD-CD1 4.19Å; M502-F517 HydrophobicContact SD-CD2 3.32Å; M502-F517 WeakPolarHBondContact SD-CD2 3.5Å; M502-F517 HydrophobicContact SD-CE1 4.46Å; M502-F517 HydrophobicContact SD-CE2 3.65Å; M502-F517 HydrophobicContact SD-CG 3.63Å; M502-F517 HydrophobicContact SD-CZ 4.23Å; C515-F517 PolarHBondContact O-N 3Å; F517-R527 CarbonylContact O-C 3.58Å; F517-R527 WeakPolarHBondContact O-CA 3.36Å; F517-E528 WeakPolarHBondContact CB-O 3.46Å; F517-E528 PolarHBondContact N-O 3.29Å; F517-E528 PolarHBondContact O-N 2.94Å
518	G	97.8	Very high	97.6	Very high	2 Å²	2	40 Å²	40	2%	0.021	22%	0.221	C	C	.	.			trans	156.2	167	175	0	0	0	0	0	112.1	G501	G501-G518 WeakPolarHBondContact CA-O 3.21Å
519	G	97.4	Very high	97.7	Very high	1 Å²	1	40 Å²	40	1%	0.01	22%	0.221	C	C	.	.			trans	-100.6	175.2	-170.9	0	0	0	0	0	115.2	G478 R527	G478-G519 WeakPolarHBondContact O-CA 3.37Å; G519-R527 PolarHBondContact O-NH1 3.02Å; G519-R527 PolarHBondContact O-NH2 2.98Å
520	V	97.9	Very high	97.8	Very high	50 Å²	50	36.3 Å²	36.3	30%	0.303	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	178.7	163.5	-62.4	0	0	0	0	109.4	G478 E499 Q522 S523	G478-V520 WeakPolarHBondContact O-CG2 3.45Å; G478-V520 PolarHBondContact O-N 3.13Å; E499-V520 VanDerWaalsContact O-CG2 3.25Å; E499-V520 WeakPolarHBondContact O-CG2 3.4Å; V520-Q522 PolarHBondContact O-N 3.36Å; V520-S523 WeakPolarHBondContact O-CB 3.39Å; V520-S523 PolarHBondContact O-N 3.06Å
521	K	96.8	Very high	97.9	Very high	89 Å²	89	39.9 Å²	39.9	39%	0.387	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53	-132	-178.2	-56	174.9	174.1	174.5	0	111.5	N473 A475 D476 E499 S523	N473-K521 PolarHBondContact O-NZ 3.47Å; A475-K521 PolarHBondContact O-NZ 3.32Å; D476-K521 WeakPolarHBondContact O-CB 3.31Å; E499-K521 WeakPolarHBondContact OE2-CE 3.4Å; E499-K521 IonicContact OE2-NZ 2.93Å; E499-K521 PolarHBondContact OE2-NZ 3.03Å; K521-S523 VanDerWaalsContact C-N 3.27Å; K521-S523 PolarHBondContact O-N 2.82Å
522	Q	97.4	Very high	98.1	Very high	64 Å²	64	43.1 Å²	43.1	30%	0.299	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1.3	178.7	-57.2	-169.3	45.8	0	0	113.9	T299 K303 L320 D476 V477 V520 G524	T299-Q522 HydrophobicContact CG2-CB 4.4Å; K303-Q522 VanDerWaalsContact CE-OE1 3.3Å; L320-Q522 WeakPolarHBondContact CD1-O 3.49Å; D476-Q522 HydrophobicContact CB-CG 4.45Å; D476-Q522 VanDerWaalsContact O-CB 3.31Å; D476-Q522 WeakPolarHBondContact O-CB 3.38Å; D476-Q522 WeakPolarHBondContact O-CG 3.45Å; D476-Q522 PolarHBondContact O-N 3.15Å; D476-Q522 PolarHBondContact OD2-NE2 3.13Å; V477-Q522 HydrophobicContact CG1-CB 4.44Å; V520-Q522 PolarHBondContact O-N 3.36Å; Q522-G524 PolarHBondContact O-N 2.9Å
523	S	97.4	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-0.8	175.5	-68.4	0	0	0	0	113.8	L320 G321 V477 G478 L479 V520 K521	L320-S523 PolarHBondContact N-O 2.85Å; G321-S523 PolarHBondContact O-OG 3.17Å; V477-S523 WeakPolarHBondContact CA-OG 3.3Å; V477-S523 VanDerWaalsContact CB-OG 3.26Å; V477-S523 WeakPolarHBondContact CB-OG 3.18Å; G478-S523 PolarHBondContact N-OG 3.35Å; L479-S523 PolarHBondContact N-OG 3.24Å; V520-S523 WeakPolarHBondContact O-CB 3.39Å; V520-S523 PolarHBondContact O-N 3.06Å; K521-S523 VanDerWaalsContact C-N 3.27Å; K521-S523 PolarHBondContact O-N 2.82Å
524	G	97.5	Very high	98.1	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134	-159.2	161.5	0	0	0	0	0	115.3	M318 Q522	M318-G524 CarbonylContact O-C 3.49Å; M318-G524 VanDerWaalsContact O-CA 3.23Å; M318-G524 WeakPolarHBondContact O-CA 3.42Å; Q522-G524 PolarHBondContact O-N 2.9Å
525	L	98.6	Very high	98.2	Very high	85 Å²	85	39.7 Å²	39.7	45%	0.445	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.2	-169.9	-63.9	172	0	0	0	109.8	L306 V316 S317 M318	L306-L525 HydrophobicContact CD2-CD1 3.92Å; V316-L525 HydrophobicContact CG1-CD1 4.43Å; S317-L525 CarbonylContact C-O 3.52Å; S317-L525 VanDerWaalsContact CA-O 3.25Å; S317-L525 WeakPolarHBondContact CA-O 3.24Å; S317-L525 WeakPolarHBondContact CB-O 3.43Å; M318-L525 PolarHBondContact N-O 3.06Å; M318-L525 PolarHBondContact O-N 3.22Å
526	G	98.2	Very high	98.2	Very high	25 Å²	25	38.2 Å²	38.2	26%	0.258	19%	0.191	S	C	.	.	S	Bend	trans	76.4	-174.4	178.2	0	0	0	0	0	114	E536	G526-E536 WeakPolarHBondContact CA-OE1 3.15Å
527	R	98.5	Very high	98.2	Very high	62 Å²	62	35.8 Å²	35.8	23%	0.234	18%	0.175	C	C	.	.			trans	-135.5	150.9	177.5	-64.7	-66	-179.9	-91.8	6.9	111.3	P516 F517 G519 G533 E536	P516-R527 HydrophobicContact CB-CB 4.11Å; P516-R527 HydrophobicContact CB-CG 4.13Å; F517-R527 CarbonylContact O-C 3.58Å; F517-R527 WeakPolarHBondContact O-CA 3.36Å; G519-R527 PolarHBondContact O-NH1 3.02Å; G519-R527 PolarHBondContact O-NH2 2.98Å; R527-G533 WeakPolarHBondContact O-CA 3.47Å; R527-E536 PolarHBondContact N-OE1 3.44Å; R527-E536 WeakPolarHBondContact O-CG 3.32Å
528	E	98.5	Very high	98.2	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.056	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-121	153.9	177.3	-53.6	-170.9	136.4	0	0	109.7	R213 K214 S294 F517	R213-E528 WeakPolarHBondContact CD-OE2 3.29Å; R213-E528 IonicContact CZ-OE2 2.81Å; R213-E528 IonicContact NE-OE2 3.49Å; R213-E528 PolarHBondContact NE-OE2 3.26Å; R213-E528 IonicContact NH1-OE2 3.89Å; R213-E528 IonicContact NH2-OE2 2.66Å; R213-E528 PolarHBondContact NH2-OE2 3.29Å; K214-E528 WeakPolarHBondContact CG-OE1 3.38Å; K214-E528 IonicContact NZ-OE1 3.15Å; K214-E528 PolarHBondContact NZ-OE1 3.17Å; K214-E528 IonicContact NZ-OE2 2.86Å; K214-E528 PolarHBondContact NZ-OE2 3.25Å; S294-E528 PolarHBondContact OG-OE1 2.97Å; F517-E528 WeakPolarHBondContact CB-O 3.46Å; F517-E528 PolarHBondContact N-O 3.29Å; F517-E528 PolarHBondContact O-N 2.94Å
529	G	97.9	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	70.3	-175.5	-168.8	0	0	0	0	0	113.1	V513 G533	V513-G529 CarbonylContact O-C 3.59Å; V513-G529 WeakPolarHBondContact O-CA 3.5Å; G529-G533 VanDerWaalsContact O-CA 3.29Å; G529-G533 WeakPolarHBondContact O-CA 3.4Å; G529-G533 PolarHBondContact O-N 3.08Å
530	S	98.5	Very high	98.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.014	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-170.9	-175.9	76.5	0	0	0	0	115	W166 V513 E514 Y532	W166-S530 PolarHBondContact NE1-O 3.08Å; V513-S530 PolarHBondContact O-N 3.21Å; E514-S530 WeakPolarHBondContact O-CA 3.27Å; E514-S530 WeakPolarHBondContact O-CB 3.27Å; S530-Y532 PolarHBondContact O-N 3.02Å; S530-Y532 WeakPolarHBondContact OG-CD2 3.49Å; S530-Y532 PolarHBondContact OG-N 2.97Å
531	K	98.5	Very high	98.4	Very high	116 Å²	116	47.2 Å²	47.2	50%	0.504	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20	168.3	70.5	-174.1	-179	87.1	0	113.8	E170	E170-K531 WeakPolarHBondContact OE2-CA 3.37Å
532	Y	98.8	Very high	98.4	Very high	111 Å²	111	49.6 Å²	49.6	44%	0.435	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-25.9	-176.5	-58.8	-69.7	0	0	0	113	P516 S530 I534 D535	P516-Y532 HydrophobicContact CB-CD2 4.08Å; P516-Y532 HydrophobicContact CG-CD2 4.29Å; S530-Y532 PolarHBondContact O-N 3.02Å; S530-Y532 WeakPolarHBondContact OG-CD2 3.49Å; S530-Y532 PolarHBondContact OG-N 2.97Å; Y532-I534 PolarHBondContact O-N 3.26Å; Y532-D535 WeakPolarHBondContact O-CB 3.38Å; Y532-D535 PolarHBondContact O-N 3.05Å; Y532-D535 VanDerWaalsContact O-N 3.08Å
533	G	98.6	Very high	98.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.9	-175.1	0	0	0	0	0	114.1	R527 G529 D535	R527-G533 WeakPolarHBondContact O-CA 3.47Å; G529-G533 VanDerWaalsContact O-CA 3.29Å; G529-G533 WeakPolarHBondContact O-CA 3.4Å; G529-G533 PolarHBondContact O-N 3.08Å; G533-D535 VanDerWaalsContact C-N 3.33Å
534	I	98.8	Very high	98.6	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-28	176.8	-161.4	165.9	0	0	0	112.4	F167 E170 V174 A220 A221 Y532 E536 Y537 L538	F167-I534 HydrophobicContact CE1-CB 4.35Å; E170-I534 HydrophobicContact CB-CD1 4.18Å; V174-I534 HydrophobicContact CG2-CD1 3.54Å; V174-I534 HydrophobicContact CG2-CG1 4.31Å; A220-I534 HydrophobicContact CB-CD1 3.94Å; A221-I534 HydrophobicContact CB-CG1 4Å; Y532-I534 PolarHBondContact O-N 3.26Å; I534-E536 PolarHBondContact O-N 2.88Å; I534-Y537 PolarHBondContact O-N 3.11Å; I534-L538 HydrophobicContact CG1-CD1 4.29Å; I534-L538 HydrophobicContact CG2-CD1 4.44Å
535	D	98.8	Very high	98.6	Very high	61 Å²	61	57.6 Å²	57.6	33%	0.326	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-66.9	-23.3	-178.5	-71.9	-40.7	0	0	0	112.2	K192 R315 Y532 G533 Y537 L538	K192-D535 IonicContact NZ-OD1 2.66Å; K192-D535 PolarHBondContact NZ-OD1 3.08Å; R315-D535 PolarHBondContact NH2-O 3.45Å; Y532-D535 WeakPolarHBondContact O-CB 3.38Å; Y532-D535 PolarHBondContact O-N 3.05Å; Y532-D535 VanDerWaalsContact O-N 3.08Å; G533-D535 VanDerWaalsContact C-N 3.33Å; D535-Y537 PolarHBondContact O-N 3.47Å; D535-Y537 VanDerWaalsContact O-N 3.14Å; D535-L538 PolarHBondContact O-N 2.7Å
536	E	98.7	Very high	98.5	Very high	32 Å²	32	55.3 Å²	55.3	15%	0.15	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-61.9	-19	172.6	-65.7	-58.2	152.3	0	0	113.3	I195 K292 S317 G526 R527 I534	I195-E536 VanDerWaalsContact CD1-O 3.23Å; I195-E536 WeakPolarHBondContact CD1-O 3.44Å; K292-E536 WeakPolarHBondContact CD-O 3Å; K292-E536 WeakPolarHBondContact CE-O 3.44Å; S317-E536 WeakPolarHBondContact CB-OE2 3.23Å; G526-E536 WeakPolarHBondContact CA-OE1 3.15Å; R527-E536 PolarHBondContact N-OE1 3.44Å; R527-E536 WeakPolarHBondContact O-CG 3.32Å; I534-E536 PolarHBondContact O-N 2.88Å
537	Y	98.9	Very high	98.3	Very high	3 Å²	3	58 Å²	58	1%	0.012	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-112.2	10.2	-175	-62.8	-85.8	0	0	0	113.1	P194 I195 A198 K214 A217 A218 C223 K292 I534 D535	P194-Y537 WeakPolarHBondContact CA-O 3.45Å; I195-Y537 VanDerWaalsContact CD1-C 3.47Å; I195-Y537 PolarHBondContact N-O 3.15Å; A198-Y537 HydrophobicContact CB-CD1 4.41Å; A198-Y537 HydrophobicContact CB-CE1 4.03Å; K214-Y537 PolarHBondContact O-OH 2.76Å; A217-Y537 HydrophobicContact CB-CD2 3.72Å; A217-Y537 HydrophobicContact CB-CE2 3.59Å; A218-Y537 HydrophobicContact CB-CD1 3.61Å; A218-Y537 HydrophobicContact CB-CE1 3.53Å; A218-Y537 HydrophobicContact CB-CG 4.19Å; C223-Y537 PolarHBondContact SG-O 3.19Å; C223-Y537 VanDerWaalsContact SG-O 3.4Å; K292-Y537 HydrophobicContact CG-CD1 4.21Å; K292-Y537 HydrophobicContact CG-CE1 4.12Å; I534-Y537 PolarHBondContact O-N 3.11Å; D535-Y537 PolarHBondContact O-N 3.47Å; D535-Y537 VanDerWaalsContact O-N 3.14Å
538	L	98.9	Very high	98.1	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.8	-176.5	-64.5	169.4	0	0	0	112.8	V174 K192 Q193 A221 R315 I534 D535	V174-L538 HydrophobicContact CG1-CD1 3.65Å; V174-L538 HydrophobicContact CG1-CD2 4.09Å; V174-L538 HydrophobicContact CG2-CD1 4.04Å; K192-L538 HydrophobicContact CB-CD1 4.35Å; K192-L538 HydrophobicContact CD-CD1 4.08Å; Q193-L538 CarbonylContact O-C 3.45Å; Q193-L538 WeakPolarHBondContact O-CA 3.43Å; A221-L538 HydrophobicContact CB-CD2 3.89Å; A221-L538 HydrophobicContact CB-CG 4.21Å; R315-L538 PolarHBondContact NH1-O 2.85Å; I534-L538 HydrophobicContact CG1-CD1 4.29Å; I534-L538 HydrophobicContact CG2-CD1 4.44Å; D535-L538 PolarHBondContact O-N 2.7Å
539	E	98.8	Very high	98.1	Very high	82 Å²	82	63.6 Å²	63.6	38%	0.383	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.5	166.3	-75.2	-55.5	151.4	0	0	110.8	K192 Q193 I195 R315	K192-E539 WeakPolarHBondContact CA-O 3.28Å; Q193-E539 PolarHBondContact N-O 3.08Å; Q193-E539 PolarHBondContact O-N 2.91Å; I195-E539 HydrophobicContact CG1-CG 3.82Å; R315-E539 IonicContact CZ-OE1 3.53Å; R315-E539 VanDerWaalsContact NH1-CD 3.31Å; R315-E539 IonicContact NH1-OE1 3.01Å; R315-E539 PolarHBondContact NH1-OE1 3.05Å; R315-E539 IonicContact NH1-OE2 3.84Å
540	L	98.8	Very high	98.1	Very high	116 Å²	116	66.9 Å²	66.9	61%	0.607	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.6	170.6	-58.9	-174.6	0	0	0	109.9	V190 L191 K192	V190-L540 HydrophobicContact CG1-CB 4.27Å; V190-L540 HydrophobicContact CG1-CD2 4.21Å; L191-L540 CarbonylContact O-C 3.56Å; L191-L540 WeakPolarHBondContact O-CA 3.45Å; K192-L540 HydrophobicContact CD-CD2 4.08Å; K192-L540 HydrophobicContact CG-CD2 3.67Å
541	K	98.8	Very high	98.1	Very high	104 Å²	104	70.6 Å²	70.6	45%	0.452	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	112.3	174.5	178.4	176.9	-70.1	173.4	0	110.3	V190 L191 Q193 V543	V190-K541 CarbonylContact C-O 3.2Å; V190-K541 WeakPolarHBondContact CA-O 3.35Å; L191-K541 HydrophobicContact CB-CB 4.35Å; L191-K541 PolarHBondContact N-O 3.36Å; L191-K541 PolarHBondContact O-N 2.92Å; Q193-K541 VanDerWaalsContact OE1-CE 3.29Å; K541-V543 HydrophobicContact CG-CG2 4.29Å
542	Y	98.6	Very high	98.1	Very high	140 Å²	140	67.9 Å²	67.9	55%	0.549	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.2	170.3	169	-128.4	0	0	0	110.9	A188 L189 C544	A188-Y542 HydrophobicContact CB-CD2 4.45Å; A188-Y542 HydrophobicContact CB-CE2 3.64Å; L189-Y542 CarbonylContact O-C 3.54Å; L189-Y542 WeakPolarHBondContact O-CA 3.43Å; Y542-C544 HydrophobicContact CE1-CB 4.05Å; Y542-C544 HydrophobicContact CE2-CB 4.24Å; Y542-C544 VanDerWaalsContact OH-CB 3.28Å; Y542-C544 WeakPolarHBondContact OH-CB 3.39Å
543	V	98.8	Very high	98.1	Very high	47 Å²	47	65.2 Å²	65.2	29%	0.285	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.2	172.9	-177.1	0	0	0	0	108.6	L189 L191 K541 Y545	L189-V543 HydrophobicContact CB-CB 4.24Å; L189-V543 PolarHBondContact N-O 3Å; L189-V543 PolarHBondContact O-N 3.24Å; L191-V543 HydrophobicContact CD1-CG2 4.02Å; L191-V543 HydrophobicContact CG-CG2 4.27Å; K541-V543 HydrophobicContact CG-CG2 4.29Å; V543-Y545 PolarHBondContact O-N 3.07Å
544	C	98.3	Very high	98	Very high	55 Å²	55	69.5 Å²	69.5	37%	0.372	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	99.8	169.2	-174.6	0	0	0	0	109.3	Y542 G546	Y542-C544 HydrophobicContact CE1-CB 4.05Å; Y542-C544 HydrophobicContact CE2-CB 4.24Å; Y542-C544 VanDerWaalsContact OH-CB 3.28Å; Y542-C544 WeakPolarHBondContact OH-CB 3.39Å; C544-G546 PolarHBondContact O-N 3.1Å
545	Y	98.2	Very high	98	Very high	139 Å²	139	73.9 Å²	73.9	55%	0.545	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	96.8	174.1	-161.5	-62.7	0	0	0	108.9	R186 R187 V543 L548	R186-Y545 CarbonylContact C-O 3.44Å; R186-Y545 WeakPolarHBondContact CA-O 3.45Å; R187-Y545 PolarHBondContact N-O 3.02Å; R187-Y545 PolarHBondContact O-N 3.41Å; V543-Y545 PolarHBondContact O-N 3.07Å; Y545-L548 HydrophobicContact CD1-CD1 4.37Å; Y545-L548 HydrophobicContact CD1-CD2 3.9Å; Y545-L548 HydrophobicContact CD1-CG 4.17Å; Y545-L548 HydrophobicContact CE1-CD2 3.78Å; Y545-L548 HydrophobicContact CE1-CG 4.5Å
546	G	97.2	Very high	97.9	Very high	37 Å²	37	74.9 Å²	74.9	38%	0.381	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-177.2	178.3	0	0	0	0	0	113.8	C544	C544-G546 PolarHBondContact O-N 3.1Å
547	G	94.2	Very high	97.8	Very high	81 Å²	81	78.5 Å²	78.5	84%	0.835	43%	0.429	S	S	*	.			trans	77.2	31.8	178	0	0	0	0	0	113.4	D185	D185-G547 PolarHBondContact O-N 2.86Å
548	L	94.8	Very high	97.7	Very high	129 Å²	129	85.4 Å²	85.4	68%	0.675	47%	0.467	S	S	*	.			trans	-97.8	0	-178.7	-61.6	179	0	0	0	113.5	D185 R187 Y545	D185-L548 PolarHBondContact O-N 3.08Å; R187-L548 HydrophobicContact CB-CD1 4.44Å; R187-L548 HydrophobicContact CG-CD1 3.59Å; Y545-L548 HydrophobicContact CD1-CD1 4.37Å; Y545-L548 HydrophobicContact CD1-CD2 3.9Å; Y545-L548 HydrophobicContact CD1-CG 4.17Å; Y545-L548 HydrophobicContact CE1-CD2 3.78Å; Y545-L548 HydrophobicContact CE1-CG 4.5Å

Retrieved 548 of 548 residues in 136.7 ms (Link to these results)

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