X5D8T4_HUMAN Loading...

Succinate-semialdehyde dehydrogenase

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

AlphaFold DB , UniProt , Accession X5D8T4, Species HUMAN (Homo sapiens, Human), Gene ALDH5A1, Length 535 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	31	Very low	27.8	Very low	247 Å²	247	142.4 Å²	142.4	100%	1.217	80%	0.801	S	S	*	*				0	126	0	-58.3	166.4	179.9	0	0	106.6
2	A	31	Very low	28	Very low	90 Å²	90	139 Å²	139	74%	0.744	80%	0.804	S	S	*	*			cis	-145.7	137.5	-16.4	0	0	0	0	0	106.9
3	T	28.6	Very low	27.9	Very low	122 Å²	122	147.7 Å²	147.7	75%	0.748	82%	0.815	S	S	*	*				86.9	146.1	64	-41.2	0	0	0	0	113.7
4	C	24.8	Very low	28.1	Very low	112 Å²	112	154.4 Å²	154.4	76%	0.757	82%	0.822	S	S	*	*			trans	77.9	121.3	-179.6	-58.2	0	0	0	0	115.6
5	I	29.9	Very low	28.2	Very low	139 Å²	139	155.9 Å²	155.9	71%	0.713	83%	0.829	S	S	*	*			cis	80.6	110.3	10.8	-48.6	172.2	0	0	0	117.4	L7	I5-L7 HydrophobicContact CG2-CD1 4.33Å; I5-L7 HydrophobicContact CG2-CG 4.49Å
6	W	24.5	Very low	28.2	Very low	220 Å²	220	150.2 Å²	150.2	83%	0.833	82%	0.819	S	S	*	*			trans	-160.7	151.1	138.2	-96.1	91.8	0	0	0	106.3
7	L	26.5	Very low	28.2	Very low	121 Å²	121	147.5 Å²	147.5	63%	0.634	81%	0.814	S	S	*	*			cis	80.7	143.7	20.1	-56.6	-179.9	0	0	0	113.6	I5	I5-L7 HydrophobicContact CG2-CD1 4.33Å; I5-L7 HydrophobicContact CG2-CG 4.49Å
8	R	30.2	Very low	28.2	Very low	212 Å²	212	146.1 Å²	146.1	80%	0.8	81%	0.81	S	S	*	*			cis	-161.1	165.6	-0.7	-112	-176.1	-175.6	-161.8	2.6	106.9
9	S	28.6	Very low	28.3	Very low	83 Å²	83	149 Å²	149	58%	0.58	81%	0.814	S	S	*	*			cis	177.8	154.3	-27.3	51.5	0	0	0	0	111.5
10	C	25.9	Very low	28.9	Very low	137 Å²	137	147.7 Å²	147.7	93%	0.926	81%	0.813	S	S	*	*			trans	79.4	150.3	160	-61.3	0	0	0	0	121.3
11	G	24.8	Very low	28.8	Very low	83 Å²	83	144.2 Å²	144.2	86%	0.856	81%	0.812	S	S	*	*			trans	170.8	99.6	166.8	0	0	0	0	0	113.8
12	A	30	Very low	28.6	Very low	102 Å²	102	138.8 Å²	138.8	84%	0.843	80%	0.796	S	S	*	*			trans	-141.2	147.9	-179.6	0	0	0	0	0	112.5
13	R	27.1	Very low	28.5	Very low	252 Å²	252	145.7 Å²	145.7	95%	0.951	80%	0.803	S	S	*	*			trans	-146.7	151.6	169.7	-71.1	-165.1	176.5	-159.2	-1.5	112.7
14	R	30.8	Very low	28.5	Very low	242 Å²	242	148.2 Å²	148.2	91%	0.913	81%	0.811	S	S	*	*			trans	-130.8	154	169.8	-78.3	-175.2	171.8	-165.5	-0.5	109.8
15	L	29.8	Very low	28.8	Very low	176 Å²	176	154.5 Å²	154.5	92%	0.921	82%	0.819	S	S	*	*			trans	178.8	168.4	158.9	-96	157	0	0	0	106.7
16	G	27.1	Very low	29.1	Very low	65 Å²	65	153.4 Å²	153.4	67%	0.67	82%	0.821	S	S	*	*			cis	127	127.1	-4.9	0	0	0	0	0	112.7
17	S	28.1	Very low	29.3	Very low	105 Å²	105	155.3 Å²	155.3	73%	0.734	83%	0.828	S	S	*	*			cis	-167.5	150.4	-8.5	45.8	0	0	0	0	112.6
18	T	28.6	Very low	29.5	Very low	122 Å²	122	154.7 Å²	154.7	75%	0.748	84%	0.841	S	S	*	*			trans	53.4	121.8	154	51.5	0	0	0	0	122.3
19	F	30.2	Very low	29.6	Very low	201 Å²	201	148.7 Å²	148.7	88%	0.882	85%	0.845	S	S	*	*			trans	32	155	135	-70.2	-73.3	0	0	0	122.6
20	P	41.1	Very low	29.4	Very low	122 Å²	122	148.3 Å²	148.3	79%	0.792	85%	0.854	S	S	*	*			cis	-144.1	162.5	28	41.7	-22.1	0	0	0	120.1
21	G	26.6	Very low	29.7	Very low	76 Å²	76	150.2 Å²	150.2	78%	0.784	85%	0.854	S	S	*	*				60.2	115	129.5	0	0	0	0	0	123.3
22	C	26.2	Very low	30	Very low	132 Å²	132	152.3 Å²	152.3	89%	0.892	85%	0.85	S	S	*	*			trans	-147.7	152.4	149	-165.7	0	0	0	0	111.1
23	R	28.7	Very low	30	Very low	236 Å²	236	153.1 Å²	153.1	89%	0.891	85%	0.846	S	S	*	*			trans	-113.7	125	-177.7	-73.5	-177.3	176.2	-174.8	0.6	112
24	L	28.8	Very low	30.1	Very low	175 Å²	175	145.6 Å²	145.6	92%	0.916	84%	0.838	S	S	*	*			trans	-141.9	146.4	155.8	-75.9	177.6	0	0	0	110.7
25	R	30.4	Very low	30.3	Very low	243 Å²	243	139.9 Å²	139.9	92%	0.917	84%	0.835	S	S	*	*			trans	-115	-178.1	165.7	-61.6	-178.8	157.4	-167.7	-2.7	108.6
26	P	37.5	Very low	30.4	Very low	116 Å²	116	134.5 Å²	134.5	75%	0.753	82%	0.823	S	S	*	*				-124.9	152.7	-86.8	36.1	-19.4	0	0	0	112.6
27	R	28	Very low	30.7	Very low	260 Å²	260	137.4 Å²	137.4	98%	0.981	83%	0.83	S	S	*	*			trans	-136.8	151	161.8	-79.5	-164	169.5	-174.8	-3.2	111.8
28	A	31.3	Very low	31	Very low	109 Å²	109	136.8 Å²	136.8	90%	0.901	83%	0.831	S	S	*	*			trans	-90.6	170	-163.8	0	0	0	0	0	114
29	G	31.2	Very low	31.2	Very low	86 Å²	86	135.8 Å²	135.8	89%	0.887	83%	0.826	S	S	*	*			trans	113.3	102.3	161.4	0	0	0	0	0	114.2
30	G	26.3	Very low	31.1	Very low	75 Å²	75	128.4 Å²	128.4	77%	0.773	81%	0.807	S	S	*	*			trans	156.1	71.4	176	0	0	0	0	0	113.6	V32	G30-V32 PolarHBondContact O-N 3.08Å
31	L	31.1	Very low	30.7	Very low	176 Å²	176	128.4 Å²	128.4	92%	0.921	81%	0.807	S	S	*	*			trans	-76.5	109.3	175.2	-85.5	163.9	0	0	0	110.6
32	V	31.7	Very low	31	Very low	127 Å²	127	129.1 Å²	129.1	77%	0.77	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-77.9	126	161.9	-179.7	0	0	0	0	107.8	G30 A34	G30-V32 PolarHBondContact O-N 3.08Å; V32-A34 PolarHBondContact O-N 3.4Å
33	P	28.8	Very low	31.2	Very low	119 Å²	119	130.4 Å²	130.4	77%	0.773	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.8	117.4	175.4	27.7	-32.6	0	0	0	109.6
34	A	29.8	Very low	31.8	Very low	95 Å²	95	124.3 Å²	124.3	79%	0.785	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.4	176.6	0	0	0	0	0	111.1	V32 G36	V32-A34 PolarHBondContact O-N 3.4Å; A34-G36 PolarHBondContact O-N 3.2Å
35	S	35.9	Very low	32.2	Very low	121 Å²	121	127 Å²	127	85%	0.846	78%	0.781	S	S	*	*			trans	-60.8	115.6	171.9	52.1	0	0	0	0	110.4
36	G	32.2	Very low	32.4	Very low	64 Å²	64	121.5 Å²	121.5	66%	0.66	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.9	153.8	175.2	0	0	0	0	0	112.3	A34	A34-G36 PolarHBondContact O-N 3.2Å
37	P	31.7	Very low	32.9	Very low	126 Å²	126	120 Å²	120	82%	0.818	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-66.4	152.8	176.6	29.9	-35.4	0	0	0	111.3
38	A	35.2	Very low	33.8	Very low	91 Å²	91	108.9 Å²	108.9	75%	0.752	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-59.6	143.2	171.4	0	0	0	0	0	110.8	G40	A38-G40 PolarHBondContact O-N 2.74Å
39	P	32.4	Very low	34.6	Very low	102 Å²	102	107 Å²	107	66%	0.662	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-66.3	126.4	-176.4	27.1	-34.6	0	0	0	111.3
40	G	28	Very low	35.9	Very low	45 Å²	45	108.4 Å²	108.4	46%	0.464	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-77.5	169.2	176.2	0	0	0	0	0	113.2	A38 A42 Q43	A38-G40 PolarHBondContact O-N 2.74Å; G40-A42 PolarHBondContact O-N 2.7Å; G40-Q43 PolarHBondContact O-N 2.92Å
41	P	33.9	Very low	37.6	Very low	123 Å²	123	105.5 Å²	105.5	80%	0.799	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-60	-8.5	-172.6	-25.7	35.4	0	0	0	116.7
42	A	31.4	Very low	38.7	Very low	91 Å²	91	100.9 Å²	100.9	75%	0.752	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-78.1	-16.7	-175.5	0	0	0	0	0	114.9	G40 L44	G40-A42 PolarHBondContact O-N 2.7Å; A42-L44 PolarHBondContact O-N 2.9Å
43	Q	32	Very low	40.2	Very low	159 Å²	159	98.7 Å²	98.7	74%	0.743	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-76.3	-1.8	179.8	-75.9	-174.1	-25.7	0	0	114.3	G40 R45	G40-Q43 PolarHBondContact O-N 2.92Å; Q43-R45 PolarHBondContact O-N 2.68Å; Q43-R45 VanDerWaalsContact O-N 3.11Å
44	L	40.7	Very low	42.4	Very low	108 Å²	108	94.1 Å²	94.1	57%	0.565	62%	0.617	S	S	*	*			trans	-76.7	17.3	179.1	-73.1	167.8	0	0	0	115.1	A42 Y47	A42-L44 PolarHBondContact O-N 2.9Å; L44-Y47 HydrophobicContact CB-CE2 4.45Å; L44-Y47 HydrophobicContact CD2-CE2 3.93Å; L44-Y47 WeakPolarHBondContact O-CD2 3.29Å; L44-Y47 WeakPolarHBondContact O-CE2 3.47Å
45	R	37.2	Very low	44.7	Very low	232 Å²	232	91.9 Å²	91.9	88%	0.875	60%	0.596	S	S	*	*			trans	-119.3	57.5	-174.6	-72.5	-165.4	174.2	-143.7	-0.5	114.8	Q43	Q43-R45 PolarHBondContact O-N 2.68Å; Q43-R45 VanDerWaalsContact O-N 3.11Å
46	C	34.3	Very low	46.5	Very low	127 Å²	127	90.6 Å²	90.6	86%	0.858	59%	0.593	S	S	*	*			trans	-148.1	36.6	158.9	-103.8	0	0	0	0	112.9
47	Y	47.5	Very low	49.2	Very low	83 Å²	83	88.9 Å²	88.9	33%	0.325	57%	0.572	S	S	.	*	S	Bend	trans	-74.8	142.5	166.9	-67	-91	0	0	0	109.9	L44 G49 L59 L87	L44-Y47 HydrophobicContact CB-CE2 4.45Å; L44-Y47 HydrophobicContact CD2-CE2 3.93Å; L44-Y47 WeakPolarHBondContact O-CD2 3.29Å; L44-Y47 WeakPolarHBondContact O-CE2 3.47Å; Y47-G49 PolarHBondContact O-N 3.19Å; Y47-L59 HydrophobicContact CD1-CD2 4.21Å; Y47-L59 HydrophobicContact CE1-CD2 4.28Å; Y47-L87 VanDerWaalsContact CD1-O 3.23Å; Y47-L87 WeakPolarHBondContact CD1-O 3.41Å; Y47-L87 WeakPolarHBondContact CE1-O 3.31Å
48	A	46.8	Very low	52.2	Low	28 Å²	28	83 Å²	83	23%	0.231	53%	0.534	C	S	.	.			trans	-57.1	138.6	-178.3	0	0	0	0	0	111.9	R50 L51 A85	A48-R50 PolarHBondContact O-N 2.68Å; A48-L51 PolarHBondContact O-N 3.46Å; A48-A85 HydrophobicContact CB-CB 3.98Å
49	G	49.1	Very low	55	Low	69 Å²	69	80.4 Å²	80.4	71%	0.711	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-5.7	-174.1	0	0	0	0	0	116.4	Y47	Y47-G49 PolarHBondContact O-N 3.19Å
50	R	57.8	Low	58.1	Low	115 Å²	115	78.6 Å²	78.6	43%	0.434	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-19.8	172.6	-57.8	-173.8	-175.4	-146.1	-2.1	113.3	A48 N372 F374 E375	A48-R50 PolarHBondContact O-N 2.68Å; R50-N372 PolarHBondContact NH1-OD1 3.41Å; R50-F374 HydrophobicContact CB-CD2 4.39Å; R50-F374 HydrophobicContact CB-CE2 4.44Å; R50-E375 IonicContact CZ-OE1 3.98Å; R50-E375 IonicContact NH1-OE1 2.72Å; R50-E375 PolarHBondContact NH1-OE1 3.5Å; R50-E375 IonicContact NH2-OE1 3.73Å; R50-E375 PolarHBondContact NH2-OE1 2.95Å; R50-E375 VanDerWaalsContact NH2-OE1 3.07Å
51	L	62	Low	61.5	Low	15 Å²	15	78.4 Å²	78.4	8%	0.079	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.4	168.8	-66.8	-176.1	0	0	0	113.1	A48 G53 L54 L59 L87 A144	A48-L51 PolarHBondContact O-N 3.46Å; L51-G53 PolarHBondContact O-N 2.87Å; L51-L54 HydrophobicContact CB-CD1 4.29Å; L51-L54 HydrophobicContact CD2-CD1 3.66Å; L51-L54 PolarHBondContact O-N 2.82Å; L51-L59 HydrophobicContact CD1-CD2 3.93Å; L51-L87 HydrophobicContact CD1-CD2 3.67Å; L51-L87 HydrophobicContact CG-CD2 4.23Å; L51-A144 HydrophobicContact CD2-CB 3.73Å
52	A	54.4	Low	64.5	Low	78 Å²	78	74.8 Å²	74.8	65%	0.645	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	124.5	179.3	0	0	0	0	0	110.4
53	G	62.3	Low	67.8	Low	81 Å²	81	70.6 Å²	70.6	84%	0.835	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.7	-6.9	-177.9	0	0	0	0	0	115.4	L51	L51-G53 PolarHBondContact O-N 2.87Å
54	L	75.9	Confident	70.9	Confident	24 Å²	24	63.4 Å²	63.4	13%	0.126	38%	0.383	C	S	.	.	S	Bend	trans	-59.5	149.6	166.6	-74.1	-177.9	0	0	0	111.6	L51 A56 D137 R140 I141	L51-L54 HydrophobicContact CB-CD1 4.29Å; L51-L54 HydrophobicContact CD2-CD1 3.66Å; L51-L54 PolarHBondContact O-N 2.82Å; L54-A56 PolarHBondContact O-N 2.93Å; L54-A56 VanDerWaalsContact O-N 3.09Å; L54-D137 HydrophobicContact CD2-CB 3.71Å; L54-D137 WeakPolarHBondContact CD2-OD1 3.19Å; L54-R140 HydrophobicContact CD2-CB 3.87Å; L54-R140 HydrophobicContact CD2-CG 4.48Å; L54-I141 HydrophobicContact CD1-CG1 3.89Å
55	S	77.9	Confident	73.7	Confident	48 Å²	48	59 Å²	59	34%	0.336	36%	0.36	S	S	.	.			trans	-56.5	112.9	166.1	179.4	0	0	0	0	110.6	A57 L58 D137	S55-A57 PolarHBondContact O-N 2.56Å; S55-L58 PolarHBondContact O-N 3.01Å; S55-D137 WeakPolarHBondContact CB-OD2 3.4Å; S55-D137 PolarHBondContact N-OD2 3.22Å
56	A	74.5	Confident	76.6	Confident	94 Å²	94	48.9 Å²	48.9	78%	0.777	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-6	-176.1	0	0	0	0	0	114.6	L54	L54-A56 PolarHBondContact O-N 2.93Å; L54-A56 VanDerWaalsContact O-N 3.09Å
57	A	87.7	Confident	79.7	Confident	28 Å²	28	44.1 Å²	44.1	23%	0.231	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-26.8	171.7	0	0	0	0	0	113.2	S55 R60 E242	S55-A57 PolarHBondContact O-N 2.56Å; A57-R60 WeakPolarHBondContact O-CG 3.24Å; A57-R60 PolarHBondContact O-NE 3.28Å; A57-E242 HydrophobicContact CB-CG 4.17Å; A57-E242 VanDerWaalsContact O-CG 3.31Å; A57-E242 WeakPolarHBondContact O-CG 2.95Å
58	L	94.1	Very high	82.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-40.9	-175.1	-61.9	177.7	0	0	0	112.5	S55 R60 N134 D137 I141 A239 E242 L243	S55-L58 PolarHBondContact O-N 3.01Å; L58-R60 PolarHBondContact O-N 3.11Å; L58-N134 HydrophobicContact CD1-CB 4.04Å; L58-D137 HydrophobicContact CD1-CB 3.71Å; L58-I141 HydrophobicContact CB-CD1 4.03Å; L58-A239 HydrophobicContact CB-CB 4.36Å; L58-A239 WeakPolarHBondContact O-CA 3.43Å; L58-A239 WeakPolarHBondContact O-CB 3.31Å; L58-E242 HydrophobicContact CD2-CG 4.21Å; L58-L243 HydrophobicContact CD2-CD1 4.41Å; L58-L243 HydrophobicContact CD2-CD2 3.71Å; L58-L243 HydrophobicContact CD2-CG 3.95Å
59	L	95.4	Very high	84.6	Confident	38 Å²	38	50 Å²	50	20%	0.199	32%	0.316	C	S	.	.	S	Bend	trans	-80.5	106.6	176.7	-172.4	68.6	0	0	0	109.7	Y47 L51 F235	Y47-L59 HydrophobicContact CD1-CD2 4.21Å; Y47-L59 HydrophobicContact CE1-CD2 4.28Å; L51-L59 HydrophobicContact CD1-CD2 3.93Å; L59-F235 HydrophobicContact CD1-CB 4.16Å; L59-F235 HydrophobicContact CD1-CD1 3.62Å; L59-F235 HydrophobicContact CD1-CD2 4.25Å; L59-F235 HydrophobicContact CD1-CE1 3.99Å; L59-F235 HydrophobicContact CD1-CG 3.77Å; L59-F235 HydrophobicContact CD1-CZ 4.44Å
60	R	97.4	Very high	87	Confident	64 Å²	64	50.3 Å²	50.3	24%	0.242	30%	0.301	C	S	.	.			trans	-124.5	143.2	-170.4	-69	-75.7	-168	177.3	2.7	111.4	A57 L58 W69 F235 L238 E242	A57-R60 WeakPolarHBondContact O-CG 3.24Å; A57-R60 PolarHBondContact O-NE 3.28Å; L58-R60 PolarHBondContact O-N 3.11Å; R60-W69 HydrophobicContact CB-CE3 4.39Å; R60-W69 HydrophobicContact CB-CH2 3.77Å; R60-W69 HydrophobicContact CB-CZ2 4.43Å; R60-W69 HydrophobicContact CB-CZ3 3.74Å; R60-W69 HydrophobicContact CG-CE3 4.5Å; R60-W69 HydrophobicContact CG-CH2 3.51Å; R60-W69 HydrophobicContact CG-CZ2 3.71Å; R60-W69 HydrophobicContact CG-CZ3 3.93Å; R60-F235 VanDerWaalsContact O-CD1 3.29Å; R60-F235 WeakPolarHBondContact O-CD1 3.48Å; R60-L238 HydrophobicContact CB-CB 3.89Å; R60-L238 HydrophobicContact CB-CD1 4.43Å; R60-L238 VanDerWaalsContact O-CD1 3.24Å; R60-L238 WeakPolarHBondContact O-CD1 3.26Å; R60-E242 IonicContact CZ-OE2 3.37Å; R60-E242 IonicContact NE-OE2 3.31Å; R60-E242 PolarHBondContact NE-OE2 3.41Å; R60-E242 IonicContact NH2-OE1 3.9Å; R60-E242 IonicContact NH2-OE2 2.69Å; R60-E242 PolarHBondContact NH2-OE2 3.21Å
61	T	98.2	Very high	88.9	Confident	40 Å²	40	49.3 Å²	49.3	25%	0.245	31%	0.309	C	S	.	.			trans	-107	-25.5	179.8	48.6	0	0	0	0	113.8	M89 V90 A91	T61-M89 WeakPolarHBondContact CB-O 3.48Å; T61-M89 WeakPolarHBondContact CG2-O 3.39Å; T61-V90 CarbonylContact O-C 3.56Å; T61-V90 WeakPolarHBondContact O-CA 3.33Å; T61-A91 PolarHBondContact O-N 2.9Å
62	D	98.8	Very high	90.6	Very high	48 Å²	48	49.6 Å²	49.6	26%	0.257	31%	0.314	S	S	.	.	S	Bend	trans	-81.7	156.6	-177.1	-66.1	-35.9	0	0	0	112.1	W69 P71 L238	D62-W69 HydrophobicContact CB-CB 4.15Å; D62-W69 HydrophobicContact CB-CE3 4.13Å; D62-W69 WeakPolarHBondContact O-CZ3 3.49Å; D62-P71 WeakPolarHBondContact OD1-CA 3.3Å; D62-P71 WeakPolarHBondContact OD1-CB 3.3Å; D62-L238 WeakPolarHBondContact O-CD2 3.37Å
63	S	98.9	Very high	92.7	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	156.8	167.1	72.4	0	0	0	0	110.8	W69 L70 V256	S63-W69 CarbonylContact O-C 3.2Å; S63-W69 WeakPolarHBondContact O-CA 3.45Å; S63-L70 WeakPolarHBondContact CB-O 3.46Å; S63-L70 PolarHBondContact N-O 2.9Å; S63-L70 PolarHBondContact O-N 3.42Å; S63-L70 PolarHBondContact OG-O 3.06Å; S63-V256 WeakPolarHBondContact CB-O 3.36Å
64	F	98.9	Very high	94.4	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	107.9	177.4	-171.9	-100	0	0	0	110	R68 W69 A241 Y254 N255 V256	F64-R68 CarbonylContact C-O 3.54Å; F64-R68 WeakPolarHBondContact CA-O 3.21Å; F64-W69 HydrophobicContact CB-CE3 4.16Å; F64-W69 HydrophobicContact CB-CH2 4.3Å; F64-W69 HydrophobicContact CB-CZ3 3.89Å; F64-W69 AromaticContact CD2-CD2 3.88Å; F64-W69 HydrophobicContact CD2-CD2 3.88Å; F64-W69 AromaticContact CD2-CE2 3.78Å; F64-W69 HydrophobicContact CD2-CE3 4.03Å; F64-W69 HydrophobicContact CD2-CH2 4.02Å; F64-W69 AromaticContact CD2-CZ2 3.85Å; F64-W69 HydrophobicContact CD2-CZ2 3.85Å; F64-W69 HydrophobicContact CD2-CZ3 4.11Å; F64-W69 HydrophobicContact CE2-CZ2 4.3Å; F64-W69 HydrophobicContact CG-CH2 4.5Å; F64-W69 HydrophobicContact CG-CZ3 4.45Å; F64-A241 HydrophobicContact CB-CB 3.78Å; F64-A241 HydrophobicContact CD1-CB 3.77Å; F64-A241 HydrophobicContact CD2-CB 4.06Å; F64-A241 HydrophobicContact CE1-CB 4.3Å; F64-A241 HydrophobicContact CG-CB 3.62Å; F64-Y254 HydrophobicContact CD1-CD1 4.4Å; F64-Y254 WeakPolarHBondContact CD1-O 3.44Å; F64-Y254 WeakPolarHBondContact CE1-O 3.17Å; F64-N255 CarbonylContact O-C 3.58Å; F64-N255 WeakPolarHBondContact O-CA 2.98Å; F64-N255 WeakPolarHBondContact O-CB 3.43Å; F64-V256 HydrophobicContact CB-CB 4.38Å; F64-V256 PolarHBondContact N-O 3.27Å; F64-V256 PolarHBondContact O-N 3.4Å
65	V	98.9	Very high	95.5	Very high	14 Å²	14	51.8 Å²	51.8	9%	0.085	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.4	-174.6	177	0	0	0	0	110.3	G67 R68 L70 A101 A104 I257	V65-G67 PolarHBondContact O-N 3.27Å; V65-R68 PolarHBondContact N-O 3.21Å; V65-R68 PolarHBondContact O-N 2.97Å; V65-L70 HydrophobicContact CB-CD1 4Å; V65-A101 HydrophobicContact CG1-CB 4.05Å; V65-A101 HydrophobicContact CG2-CB 3.92Å; V65-A104 HydrophobicContact CG1-CB 4.09Å; V65-I257 HydrophobicContact CG2-CG2 4Å
66	G	98.4	Very high	96.5	Very high	21 Å²	21	50.1 Å²	50.1	22%	0.216	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	25.6	178.9	0	0	0	0	0	113.7	S251 N255	G66-S251 WeakPolarHBondContact O-CB 3.21Å; G66-S251 PolarHBondContact O-OG 3.33Å; G66-N255 PolarHBondContact N-OD1 2.99Å
67	G	98.5	Very high	97.6	Very high	26 Å²	26	49.3 Å²	49.3	27%	0.268	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	25.1	-173.2	0	0	0	0	0	114.3	V65	V65-G67 PolarHBondContact O-N 3.27Å
68	R	98.8	Very high	98.1	Very high	178 Å²	178	48.2 Å²	48.2	67%	0.672	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	143	179.5	-61.6	-179	-178.9	-86.8	-2.3	111.3	F64 V65 L70	F64-R68 CarbonylContact C-O 3.54Å; F64-R68 WeakPolarHBondContact CA-O 3.21Å; V65-R68 PolarHBondContact N-O 3.21Å; V65-R68 PolarHBondContact O-N 2.97Å; R68-L70 HydrophobicContact CB-CD2 4.34Å; R68-L70 HydrophobicContact CB-CG 4.46Å
69	W	98.8	Very high	98.3	Very high	56 Å²	56	53.6 Å²	53.6	21%	0.212	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.6	166.8	-63.8	110.9	0	0	0	109.6	R60 D62 S63 F64 L238 A241 E242	R60-W69 HydrophobicContact CB-CE3 4.39Å; R60-W69 HydrophobicContact CB-CH2 3.77Å; R60-W69 HydrophobicContact CB-CZ2 4.43Å; R60-W69 HydrophobicContact CB-CZ3 3.74Å; R60-W69 HydrophobicContact CG-CE3 4.5Å; R60-W69 HydrophobicContact CG-CH2 3.51Å; R60-W69 HydrophobicContact CG-CZ2 3.71Å; R60-W69 HydrophobicContact CG-CZ3 3.93Å; D62-W69 HydrophobicContact CB-CB 4.15Å; D62-W69 HydrophobicContact CB-CE3 4.13Å; D62-W69 WeakPolarHBondContact O-CZ3 3.49Å; S63-W69 CarbonylContact O-C 3.2Å; S63-W69 WeakPolarHBondContact O-CA 3.45Å; F64-W69 HydrophobicContact CB-CE3 4.16Å; F64-W69 HydrophobicContact CB-CH2 4.3Å; F64-W69 HydrophobicContact CB-CZ3 3.89Å; F64-W69 AromaticContact CD2-CD2 3.88Å; F64-W69 HydrophobicContact CD2-CD2 3.88Å; F64-W69 AromaticContact CD2-CE2 3.78Å; F64-W69 HydrophobicContact CD2-CE3 4.03Å; F64-W69 HydrophobicContact CD2-CH2 4.02Å; F64-W69 AromaticContact CD2-CZ2 3.85Å; F64-W69 HydrophobicContact CD2-CZ2 3.85Å; F64-W69 HydrophobicContact CD2-CZ3 4.11Å; F64-W69 HydrophobicContact CE2-CZ2 4.3Å; F64-W69 HydrophobicContact CG-CH2 4.5Å; F64-W69 HydrophobicContact CG-CZ3 4.45Å; W69-L238 HydrophobicContact CH2-CB 4.22Å; W69-L238 WeakPolarHBondContact CH2-O 3.3Å; W69-L238 HydrophobicContact CZ3-CB 4.2Å; W69-L238 HydrophobicContact CZ3-CD2 4.13Å; W69-A241 HydrophobicContact CH2-CB 3.83Å; W69-A241 HydrophobicContact CZ2-CB 4.39Å; W69-E242 HydrophobicContact CZ2-CB 4.08Å
70	L	98.7	Very high	98.4	Very high	77 Å²	77	52.1 Å²	52.1	40%	0.403	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122	-178.5	-60.1	-179	0	0	0	111	S63 V65 R68	S63-L70 WeakPolarHBondContact CB-O 3.46Å; S63-L70 PolarHBondContact N-O 2.9Å; S63-L70 PolarHBondContact O-N 3.42Å; S63-L70 PolarHBondContact OG-O 3.06Å; V65-L70 HydrophobicContact CB-CD1 4Å; R68-L70 HydrophobicContact CB-CD2 4.34Å; R68-L70 HydrophobicContact CB-CG 4.46Å
71	P	98.3	Very high	98.4	Very high	93 Å²	93	49.5 Å²	49.5	60%	0.604	29%	0.293	S	S	*	.			trans	-70.8	155.7	169	30	-34.8	0	0	0	111	D62	D62-P71 WeakPolarHBondContact OD1-CA 3.3Å; D62-P71 WeakPolarHBondContact OD1-CB 3.3Å
72	A	98.2	Very high	98.3	Very high	21 Å²	21	47.8 Å²	47.8	17%	0.174	28%	0.283	C	S	.	.			trans	-99.4	168.9	170.1	0	0	0	0	0	111.2	A74 A91 D92	A72-A74 PolarHBondContact O-N 3.22Å; A72-A91 HydrophobicContact CB-CB 3.9Å; A72-D92 WeakPolarHBondContact CB-O 3.5Å
73	A	97.9	Very high	98.1	Very high	105 Å²	105	47.5 Å²	47.5	87%	0.868	28%	0.284	S	S	*	.	S	Bend	trans	-69.3	-15	178.5	0	0	0	0	0	114
74	A	98.4	Very high	97.9	Very high	51 Å²	51	49.3 Å²	49.3	42%	0.421	30%	0.304	S	S	.	.	S	Bend	trans	-134.6	165.9	174.2	0	0	0	0	0	109.8	A72 D92	A72-A74 PolarHBondContact O-N 3.22Å; A74-D92 HydrophobicContact CB-CB 4.16Å; A74-D92 PolarHBondContact O-N 3.25Å
75	T	98.8	Very high	97.6	Very high	73 Å²	73	50.5 Å²	50.5	45%	0.448	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.3	174.9	50.5	0	0	0	0	110.6	M89 V90	T75-M89 WeakPolarHBondContact OG1-CE 3.41Å; T75-V90 CarbonylContact C-O 3.5Å; T75-V90 WeakPolarHBondContact CA-O 3.44Å; T75-V90 VanDerWaalsContact CB-O 3.26Å; T75-V90 WeakPolarHBondContact CB-O 3.16Å
76	F	98.7	Very high	97.4	Very high	14 Å²	14	52.7 Å²	52.7	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.3	172.8	65.3	-88.9	0	0	0	111.3	V78 M89 V90 A91 D92 E231 P234 P258	F76-V78 HydrophobicContact CD2-CG2 4.19Å; F76-V78 HydrophobicContact CE2-CG2 3.81Å; F76-M89 CarbonylContact O-C 3.59Å; F76-M89 WeakPolarHBondContact O-CA 3.3Å; F76-V90 WeakPolarHBondContact CD1-O 3.32Å; F76-V90 HydrophobicContact CE1-CB 4.05Å; F76-V90 HydrophobicContact CE1-CG1 3.96Å; F76-V90 HydrophobicContact CE2-CB 4.15Å; F76-V90 HydrophobicContact CZ-CB 3.85Å; F76-V90 HydrophobicContact CZ-CG1 3.79Å; F76-V90 PolarHBondContact N-O 2.99Å; F76-V90 PolarHBondContact O-N 2.99Å; F76-A91 WeakPolarHBondContact CE1-O 3.41Å; F76-D92 HydrophobicContact CD1-CB 3.86Å; F76-E231 HydrophobicContact CE2-CB 4.3Å; F76-E231 VanDerWaalsContact CE2-O 3.29Å; F76-E231 WeakPolarHBondContact CE2-O 3.21Å; F76-P234 HydrophobicContact CE2-CG 4.14Å; F76-P234 HydrophobicContact CZ-CB 4.37Å; F76-P234 HydrophobicContact CZ-CG 4.12Å; F76-P258 HydrophobicContact CE1-CB 4.05Å; F76-P258 HydrophobicContact CZ-CB 4.03Å
77	P	98.1	Very high	97.3	Very high	77 Å²	77	51.9 Å²	51.9	50%	0.5	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	139	175.7	30.4	-33.7	0	0	0	110.9	M89	P77-M89 HydrophobicContact CB-SD 3.75Å
78	V	98.3	Very high	97.1	Very high	4 Å²	4	51 Å²	51	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.1	163.4	-172	0	0	0	0	108.1	F76 L87 G88 V90 P234 F235	F76-V78 HydrophobicContact CD2-CG2 4.19Å; F76-V78 HydrophobicContact CE2-CG2 3.81Å; V78-L87 HydrophobicContact CB-CB 4.49Å; V78-L87 HydrophobicContact CG1-CD1 4.32Å; V78-L87 PolarHBondContact O-N 2.87Å; V78-G88 PolarHBondContact N-O 3.42Å; V78-V90 HydrophobicContact CG2-CB 4.35Å; V78-V90 HydrophobicContact CG2-CG2 3.71Å; V78-P234 HydrophobicContact CG2-CG 3.6Å; V78-F235 HydrophobicContact CB-CE2 3.59Å; V78-F235 HydrophobicContact CB-CZ 3.96Å; V78-F235 HydrophobicContact CG1-CD2 4.15Å; V78-F235 HydrophobicContact CG1-CE2 3.56Å; V78-F235 HydrophobicContact CG1-CZ 4.41Å; V78-F235 HydrophobicContact CG2-CE2 3.97Å; V78-F235 HydrophobicContact CG2-CZ 4.07Å
79	Q	97.3	Very high	97.1	Very high	114 Å²	114	47.2 Å²	47.2	53%	0.533	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.2	-175.9	-67.3	179.3	-9.6	0	0	111.1	A85	Q79-A85 CarbonylContact C-O 3.46Å; Q79-A85 VanDerWaalsContact CA-O 3.29Å; Q79-A85 WeakPolarHBondContact CA-O 3.36Å
80	D	97.6	Very high	97	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	30%	0.298	C	S	.	.			trans	-69.8	119.1	170.3	167.2	-15.8	0	0	0	109	A82 S83 G84 A85 L87 A144	D80-A82 PolarHBondContact O-N 3.03Å; D80-A82 WeakPolarHBondContact OD1-CA 3.32Å; D80-A82 WeakPolarHBondContact OD1-CB 3.42Å; D80-A82 PolarHBondContact OD1-N 3.4Å; D80-S83 VanDerWaalsContact CB-OG 3.32Å; D80-S83 WeakPolarHBondContact CB-OG 3.41Å; D80-S83 PolarHBondContact O-N 3.02Å; D80-S83 PolarHBondContact OD1-N 2.79Å; D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-OG 3.02Å; D80-G84 VanDerWaalsContact O-CA 3.28Å; D80-G84 WeakPolarHBondContact O-CA 3.17Å; D80-G84 PolarHBondContact O-N 3.47Å; D80-A85 PolarHBondContact N-O 3.36Å; D80-L87 HydrophobicContact CB-CD1 4.21Å; D80-L87 HydrophobicContact CB-CD2 4.07Å; D80-L87 HydrophobicContact CB-CG 4.19Å; D80-A144 WeakPolarHBondContact CA-O 3.41Å
81	P	97.6	Very high	97.1	Very high	10 Å²	10	41 Å²	41	7%	0.065	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.9	-174	29.7	-35.2	0	0	0	113.9	A144 P382 I384 N418	P81-A144 VanDerWaalsContact CD-O 3.28Å; P81-A144 WeakPolarHBondContact CD-O 3.5Å; P81-P382 HydrophobicContact CB-CG 4.08Å; P81-P382 HydrophobicContact CG-CG 4.01Å; P81-I384 WeakPolarHBondContact CB-O 3.32Å; P81-N418 PolarHBondContact O-ND2 2.78Å
82	A	96.6	Very high	97.1	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-44.7	173.4	0	0	0	0	0	112.4	D80 N372 P382 K417 F419	D80-A82 PolarHBondContact O-N 3.03Å; D80-A82 WeakPolarHBondContact OD1-CA 3.32Å; D80-A82 WeakPolarHBondContact OD1-CB 3.42Å; D80-A82 PolarHBondContact OD1-N 3.4Å; A82-N372 VanDerWaalsContact CB-ND2 3.27Å; A82-N372 WeakPolarHBondContact CB-ND2 3.46Å; A82-P382 HydrophobicContact CB-CB 4.41Å; A82-P382 HydrophobicContact CB-CG 3.82Å; A82-K417 WeakPolarHBondContact O-CD 3.14Å; A82-K417 PolarHBondContact O-NZ 3.47Å; A82-K417 VanDerWaalsContact O-NZ 3.1Å; A82-F419 HydrophobicContact CB-CE1 4.44Å; A82-F419 HydrophobicContact CB-CE2 4.1Å; A82-F419 HydrophobicContact CB-CZ 3.56Å
83	S	95.2	Very high	97.1	Very high	42 Å²	42	36.3 Å²	36.3	29%	0.294	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-29.7	-177.7	76.1	0	0	0	0	113.6	D80 A85 K417	D80-S83 VanDerWaalsContact CB-OG 3.32Å; D80-S83 WeakPolarHBondContact CB-OG 3.41Å; D80-S83 PolarHBondContact O-N 3.02Å; D80-S83 PolarHBondContact OD1-N 2.79Å; D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-OG 3.02Å; S83-A85 VanDerWaalsContact OG-CB 3.26Å; S83-A85 WeakPolarHBondContact OG-CB 3.42Å; S83-A85 PolarHBondContact OG-N 2.87Å; S83-A85 VanDerWaalsContact OG-N 3.14Å; S83-K417 VanDerWaalsContact C-NZ 3.35Å; S83-K417 PolarHBondContact O-NZ 3.45Å
84	G	93.8	Very high	97.2	Very high	41 Å²	41	32 Å²	32	42%	0.423	21%	0.211	S	C	.	.			trans	77.6	4.9	-168.8	0	0	0	0	0	113.5	D80	D80-G84 VanDerWaalsContact O-CA 3.28Å; D80-G84 WeakPolarHBondContact O-CA 3.17Å; D80-G84 PolarHBondContact O-N 3.47Å
85	A	93.3	Very high	97.2	Very high	33 Å²	33	31.2 Å²	31.2	27%	0.273	20%	0.201	S	C	.	.			trans	-71.4	143.8	178.5	0	0	0	0	0	111.3	A48 Q79 D80 S83 L87	A48-A85 HydrophobicContact CB-CB 3.98Å; Q79-A85 CarbonylContact C-O 3.46Å; Q79-A85 VanDerWaalsContact CA-O 3.29Å; Q79-A85 WeakPolarHBondContact CA-O 3.36Å; D80-A85 PolarHBondContact N-O 3.36Å; S83-A85 VanDerWaalsContact OG-CB 3.26Å; S83-A85 WeakPolarHBondContact OG-CB 3.42Å; S83-A85 PolarHBondContact OG-N 2.87Å; S83-A85 VanDerWaalsContact OG-N 3.14Å; A85-L87 PolarHBondContact O-N 3.03Å
86	A	95.1	Very high	97.2	Very high	60 Å²	60	37.1 Å²	37.1	50%	0.496	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	128.7	173.4	0	0	0	0	0	110.8
87	L	94.8	Very high	97.2	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-20.9	177.7	-63.4	177.5	0	0	0	112.8	Y47 L51 V78 D80 A85 A144 E145 F235	Y47-L87 VanDerWaalsContact CD1-O 3.23Å; Y47-L87 WeakPolarHBondContact CD1-O 3.41Å; Y47-L87 WeakPolarHBondContact CE1-O 3.31Å; L51-L87 HydrophobicContact CD1-CD2 3.67Å; L51-L87 HydrophobicContact CG-CD2 4.23Å; V78-L87 HydrophobicContact CB-CB 4.49Å; V78-L87 HydrophobicContact CG1-CD1 4.32Å; V78-L87 PolarHBondContact O-N 2.87Å; D80-L87 HydrophobicContact CB-CD1 4.21Å; D80-L87 HydrophobicContact CB-CD2 4.07Å; D80-L87 HydrophobicContact CB-CG 4.19Å; A85-L87 PolarHBondContact O-N 3.03Å; L87-A144 HydrophobicContact CD1-CB 4.1Å; L87-A144 WeakPolarHBondContact CD1-O 3.36Å; L87-A144 HydrophobicContact CD2-CB 4.13Å; L87-E145 HydrophobicContact CD1-CB 4.33Å; L87-F235 HydrophobicContact CB-CE2 3.71Å; L87-F235 HydrophobicContact CB-CZ 4.25Å
88	G	94.8	Very high	97.2	Very high	9 Å²	9	35 Å²	35	9%	0.093	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	171.8	175.5	0	0	0	0	0	112.7	V78	V78-G88 PolarHBondContact N-O 3.42Å
89	M	97.9	Very high	97.2	Very high	98 Å²	98	40.4 Å²	40.4	48%	0.483	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.8	171.9	-64.9	-66.3	-70.6	0	0	107.9	T61 T75 F76 P77	T61-M89 WeakPolarHBondContact CB-O 3.48Å; T61-M89 WeakPolarHBondContact CG2-O 3.39Å; T75-M89 WeakPolarHBondContact OG1-CE 3.41Å; F76-M89 CarbonylContact O-C 3.59Å; F76-M89 WeakPolarHBondContact O-CA 3.3Å; P77-M89 HydrophobicContact CB-SD 3.75Å
90	V	98.7	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	143.9	-173.2	178.2	0	0	0	0	110.2	T61 T75 F76 V78 D92 P234 F235 L238 P258	T61-V90 CarbonylContact O-C 3.56Å; T61-V90 WeakPolarHBondContact O-CA 3.33Å; T75-V90 CarbonylContact C-O 3.5Å; T75-V90 WeakPolarHBondContact CA-O 3.44Å; T75-V90 VanDerWaalsContact CB-O 3.26Å; T75-V90 WeakPolarHBondContact CB-O 3.16Å; F76-V90 WeakPolarHBondContact CD1-O 3.32Å; F76-V90 HydrophobicContact CE1-CB 4.05Å; F76-V90 HydrophobicContact CE1-CG1 3.96Å; F76-V90 HydrophobicContact CE2-CB 4.15Å; F76-V90 HydrophobicContact CZ-CB 3.85Å; F76-V90 HydrophobicContact CZ-CG1 3.79Å; F76-V90 PolarHBondContact N-O 2.99Å; F76-V90 PolarHBondContact O-N 2.99Å; V78-V90 HydrophobicContact CG2-CB 4.35Å; V78-V90 HydrophobicContact CG2-CG2 3.71Å; V90-D92 PolarHBondContact O-N 3.46Å; V90-P234 HydrophobicContact CB-CG 4.32Å; V90-P234 HydrophobicContact CG1-CB 4.21Å; V90-P234 HydrophobicContact CG1-CG 4.1Å; V90-P234 HydrophobicContact CG2-CG 3.91Å; V90-F235 HydrophobicContact CG2-CD1 4.23Å; V90-F235 HydrophobicContact CG2-CE1 3.46Å; V90-F235 VanDerWaalsContact CG2-CE1 3.46Å; V90-F235 HydrophobicContact CG2-CZ 3.7Å; V90-L238 HydrophobicContact CG1-CD1 4.28Å; V90-P258 HydrophobicContact CG1-CB 3.56Å; V90-P258 HydrophobicContact CG1-CG 3.83Å
91	A	98.8	Very high	97.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	122.9	178.1	0	0	0	0	0	111.8	T61 A72 F76 C93 P258	T61-A91 PolarHBondContact O-N 2.9Å; A72-A91 HydrophobicContact CB-CB 3.9Å; F76-A91 WeakPolarHBondContact CE1-O 3.41Å; A91-C93 PolarHBondContact O-N 3.08Å; A91-P258 CarbonylContact O-C 3.6Å
92	D	98.8	Very high	97.4	Very high	17 Å²	17	36 Å²	36	9%	0.091	20%	0.203	C	C	.	.			trans	-93.1	86.5	176.4	-160.3	-4.7	0	0	0	110	A72 A74 F76 V90 C259 S260 N263	A72-D92 WeakPolarHBondContact CB-O 3.5Å; A74-D92 HydrophobicContact CB-CB 4.16Å; A74-D92 PolarHBondContact O-N 3.25Å; F76-D92 HydrophobicContact CD1-CB 3.86Å; V90-D92 PolarHBondContact O-N 3.46Å; D92-C259 VanDerWaalsContact OD1-CA 3.26Å; D92-C259 WeakPolarHBondContact OD1-CA 3.3Å; D92-S260 PolarHBondContact OD1-N 2.9Å; D92-S260 PolarHBondContact OD1-OG 2.95Å; D92-S260 WeakPolarHBondContact OD2-CB 3.18Å; D92-S260 PolarHBondContact OD2-OG 2.87Å; D92-N263 PolarHBondContact OD1-ND2 3.11Å
93	C	98.9	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.			trans	-63.8	141.8	-179.7	-61.5	0	0	0	0	111.1	A91 E97 I257 P258 C259 N263 V267	A91-C93 PolarHBondContact O-N 3.08Å; C93-E97 HydrophobicContact CB-CB 3.91Å; C93-I257 HydrophobicContact CB-CB 4.12Å; C93-I257 HydrophobicContact CB-CG2 4.5Å; C93-P258 WeakPolarHBondContact CB-O 3.24Å; C93-P258 PolarHBondContact N-O 3.4Å; C93-P258 PolarHBondContact SG-O 3.42Å; C93-C259 HydrophobicContact CB-CB 4.39Å; C93-C259 VanDerWaalsContact O-CB 3.22Å; C93-C259 WeakPolarHBondContact O-CB 3.09Å; C93-N263 WeakPolarHBondContact O-CB 3.33Å; C93-N263 PolarHBondContact O-ND2 3.48Å; C93-V267 VanDerWaalsContact O-CG2 3.31Å; C93-V267 WeakPolarHBondContact O-CG2 3.3Å
94	G	98.8	Very high	97.7	Very high	13 Å²	13	40.3 Å²	40.3	13%	0.134	22%	0.217	C	C	.	.			trans	-110.5	-169.2	170.4	0	0	0	0	0	112.4	R96 E97 A98	G94-R96 PolarHBondContact O-N 2.82Å; G94-R96 VanDerWaalsContact O-N 3.15Å; G94-E97 WeakPolarHBondContact CA-OE2 3.45Å; G94-E97 PolarHBondContact N-OE2 2.9Å; G94-E97 PolarHBondContact O-N 2.78Å; G94-A98 WeakPolarHBondContact O-CB 3.36Å; G94-A98 PolarHBondContact O-N 2.88Å
95	V	98.8	Very high	98	Very high	36 Å²	36	38.4 Å²	38.4	22%	0.218	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-30.5	178.7	177.3	0	0	0	0	113	R99 E266 A270	V95-R99 WeakPolarHBondContact O-CB 3.36Å; V95-R99 WeakPolarHBondContact O-CG 3.32Å; V95-R99 PolarHBondContact O-N 2.99Å; V95-R99 VanDerWaalsContact O-N 3.08Å; V95-E266 HydrophobicContact CG2-CB 3.65Å; V95-A270 HydrophobicContact CG1-CB 4.02Å; V95-A270 HydrophobicContact CG2-CB 4.41Å
96	R	98.8	Very high	98.3	Very high	196 Å²	196	41.6 Å²	41.6	74%	0.74	20%	0.203	S	C	*	.	H	α-helix	trans	-70.1	-48.6	-179.1	-177.5	-167.3	-58.9	168.2	3.1	111.2	G94 A100	G94-R96 PolarHBondContact O-N 2.82Å; G94-R96 VanDerWaalsContact O-N 3.15Å; R96-A100 PolarHBondContact O-N 3.27Å
97	E	98.9	Very high	98.4	Very high	47 Å²	47	44.1 Å²	44.1	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-41.5	179.1	-63.6	64.6	-136.9	0	0	109.8	C93 G94 A100 A101	C93-E97 HydrophobicContact CB-CB 3.91Å; G94-E97 WeakPolarHBondContact CA-OE2 3.45Å; G94-E97 PolarHBondContact N-OE2 2.9Å; G94-E97 PolarHBondContact O-N 2.78Å; E97-A100 WeakPolarHBondContact O-CB 3.47Å; E97-A100 PolarHBondContact O-N 3.17Å; E97-A100 VanDerWaalsContact O-N 3.15Å; E97-A101 PolarHBondContact O-N 2.91Å
98	A	98.9	Very high	98.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-57	-50.9	174	0	0	0	0	0	112.7	G94 A100 A101 V102 I257 V267 A270 I271	G94-A98 WeakPolarHBondContact O-CB 3.36Å; G94-A98 PolarHBondContact O-N 2.88Å; A98-A100 VanDerWaalsContact C-N 3.27Å; A98-A100 PolarHBondContact O-N 3.19Å; A98-A101 PolarHBondContact O-N 3.3Å; A98-V102 WeakPolarHBondContact O-CG2 3.32Å; A98-V102 PolarHBondContact O-N 3.49Å; A98-I257 HydrophobicContact CB-CD1 3.91Å; A98-V267 HydrophobicContact CB-CG1 4.2Å; A98-A270 HydrophobicContact CB-CB 4.28Å; A98-I271 HydrophobicContact CB-CG2 3.9Å
99	R	98.9	Very high	98.8	Very high	117 Å²	117	44.4 Å²	44.4	44%	0.442	20%	0.204	S	C	.	.	H	α-helix	trans	-65.9	-28.3	176.3	-71	175.2	179.3	152.5	4.1	112.8	V95 R103	V95-R99 WeakPolarHBondContact O-CB 3.36Å; V95-R99 WeakPolarHBondContact O-CG 3.32Å; V95-R99 PolarHBondContact O-N 2.99Å; V95-R99 VanDerWaalsContact O-N 3.08Å; R99-R103 PolarHBondContact O-N 2.93Å; R99-R103 PolarHBondContact O-NH1 2.83Å
100	A	98.9	Very high	98.9	Very high	36 Å²	36	42.9 Å²	42.9	30%	0.298	20%	0.202	S	C	.	.	H	α-helix	trans	-69.6	-41.7	172.6	0	0	0	0	0	111.9	R96 E97 A98 R103 A104	R96-A100 PolarHBondContact O-N 3.27Å; E97-A100 WeakPolarHBondContact O-CB 3.47Å; E97-A100 PolarHBondContact O-N 3.17Å; E97-A100 VanDerWaalsContact O-N 3.15Å; A98-A100 VanDerWaalsContact C-N 3.27Å; A98-A100 PolarHBondContact O-N 3.19Å; A100-R103 PolarHBondContact O-N 3.34Å; A100-A104 PolarHBondContact O-N 2.93Å
101	A	98.9	Very high	98.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-40.8	174.2	0	0	0	0	0	112.5	V65 E97 A98 A104 A105 V226 N255 I257	V65-A101 HydrophobicContact CG1-CB 4.05Å; V65-A101 HydrophobicContact CG2-CB 3.92Å; E97-A101 PolarHBondContact O-N 2.91Å; A98-A101 PolarHBondContact O-N 3.3Å; A101-A104 PolarHBondContact O-N 2.94Å; A101-A105 WeakPolarHBondContact O-CB 3.41Å; A101-A105 PolarHBondContact O-N 3.15Å; A101-V226 HydrophobicContact CB-CG1 3.82Å; A101-V226 HydrophobicContact CB-CG2 4.21Å; A101-N255 HydrophobicContact CB-CB 4.38Å; A101-I257 HydrophobicContact CB-CG2 3.81Å
102	V	98.9	Very high	98.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-44.5	174.9	170.5	0	0	0	0	112.1	A98 A105 Y106 V226 I271 D274 L276 V277	A98-V102 WeakPolarHBondContact O-CG2 3.32Å; A98-V102 PolarHBondContact O-N 3.49Å; V102-A105 PolarHBondContact O-N 2.74Å; V102-Y106 WeakPolarHBondContact O-CB 3.24Å; V102-Y106 PolarHBondContact O-N 3.33Å; V102-V226 HydrophobicContact CG2-CG2 4.19Å; V102-I271 HydrophobicContact CG2-CB 4.44Å; V102-I271 HydrophobicContact CG2-CG2 4.02Å; V102-D274 HydrophobicContact CG1-CB 4.19Å; V102-L276 HydrophobicContact CG1-CB 3.74Å; V102-L276 HydrophobicContact CG1-CD1 4.43Å; V102-V277 HydrophobicContact CB-CG2 4.42Å; V102-V277 HydrophobicContact CG1-CG2 3.71Å; V102-V277 HydrophobicContact CG2-CG2 3.79Å
103	R	98.9	Very high	98.9	Very high	117 Å²	117	53.8 Å²	53.8	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-45.7	174.9	-74.1	-172.4	-59.9	-78.7	-0.5	112.4	R99 A100 A105 Y106 E107 L276	R99-R103 PolarHBondContact O-N 2.93Å; R99-R103 PolarHBondContact O-NH1 2.83Å; A100-R103 PolarHBondContact O-N 3.34Å; R103-A105 VanDerWaalsContact C-N 3.27Å; R103-A105 PolarHBondContact O-N 3Å; R103-Y106 PolarHBondContact O-N 3.39Å; R103-Y106 VanDerWaalsContact O-N 3.14Å; R103-E107 WeakPolarHBondContact O-CG 3.27Å; R103-E107 PolarHBondContact O-N 3.38Å; R103-L276 HydrophobicContact CG-CD1 3.96Å
104	A	98.9	Very high	98.9	Very high	21 Å²	21	60.4 Å²	60.4	17%	0.174	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-39.4	176	0	0	0	0	0	112	V65 A100 A101 A108	V65-A104 HydrophobicContact CG1-CB 4.09Å; A100-A104 PolarHBondContact O-N 2.93Å; A101-A104 PolarHBondContact O-N 2.94Å; A104-A108 VanDerWaalsContact O-CB 3.23Å; A104-A108 WeakPolarHBondContact O-CB 3.34Å; A104-A108 PolarHBondContact O-N 3.28Å
105	A	98.9	Very high	98.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-38.7	175.1	0	0	0	0	0	113	A101 V102 R103 A108 F109 V197 T224 V226 G252	A101-A105 WeakPolarHBondContact O-CB 3.41Å; A101-A105 PolarHBondContact O-N 3.15Å; V102-A105 PolarHBondContact O-N 2.74Å; R103-A105 VanDerWaalsContact C-N 3.27Å; R103-A105 PolarHBondContact O-N 3Å; A105-A108 PolarHBondContact O-N 3.35Å; A105-F109 WeakPolarHBondContact O-CB 3.36Å; A105-F109 PolarHBondContact O-N 2.68Å; A105-V197 HydrophobicContact CB-CG1 3.64Å; A105-V197 HydrophobicContact CB-CG2 4.12Å; A105-T224 PolarHBondContact O-OG1 3.23Å; A105-V226 HydrophobicContact CB-CG2 3.69Å; A105-G252 WeakPolarHBondContact CA-O 3.4Å
106	Y	98.9	Very high	98.9	Very high	100 Å²	100	63.6 Å²	63.6	39%	0.392	29%	0.292	S	S	.	.	H	α-helix	trans	-68.9	-46.4	177.4	-172.6	-94.8	0	0	0	112.1	V102 R103 A108 F109 C110 V197 L276	V102-Y106 WeakPolarHBondContact O-CB 3.24Å; V102-Y106 PolarHBondContact O-N 3.33Å; R103-Y106 PolarHBondContact O-N 3.39Å; R103-Y106 VanDerWaalsContact O-N 3.14Å; Y106-A108 PolarHBondContact O-N 2.91Å; Y106-F109 WeakPolarHBondContact O-CB 3Å; Y106-F109 PolarHBondContact O-N 2.97Å; Y106-F109 VanDerWaalsContact O-N 3.13Å; Y106-C110 PolarHBondContact O-N 3.49Å; Y106-C110 VanDerWaalsContact O-N 3.17Å; Y106-C110 PolarHBondContact O-SG 3.35Å; Y106-V197 HydrophobicContact CD2-CG2 4.12Å; Y106-L276 HydrophobicContact CD1-CD1 4.45Å; Y106-L276 HydrophobicContact CD1-CD2 4.16Å; Y106-L276 HydrophobicContact CD2-CB 3.86Å; Y106-L276 HydrophobicContact CD2-CD2 3.9Å; Y106-L276 HydrophobicContact CD2-CG 4.34Å; Y106-L276 HydrophobicContact CE1-CD2 4.15Å; Y106-L276 HydrophobicContact CE2-CD2 3.88Å; Y106-L276 HydrophobicContact CG-CB 4.15Å; Y106-L276 HydrophobicContact CG-CD1 4.19Å; Y106-L276 HydrophobicContact CG-CD2 4.04Å; Y106-L276 HydrophobicContact CG-CG 4.36Å
107	E	98.9	Very high	98.9	Very high	113 Å²	113	56 Å²	56	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-29.6	174.1	-69.9	172.8	-145	0	0	112.6	R103 R111	R103-E107 WeakPolarHBondContact O-CG 3.27Å; R103-E107 PolarHBondContact O-N 3.38Å; E107-R111 PolarHBondContact O-NE 3.02Å; E107-R111 PolarHBondContact O-NH2 2.78Å
108	A	98.9	Very high	98.9	Very high	3 Å²	3	60.3 Å²	60.3	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-74.4	-42.4	170.9	0	0	0	0	0	111.5	A104 A105 Y106 C110 R111 W112 T224 S251 G252 V253	A104-A108 VanDerWaalsContact O-CB 3.23Å; A104-A108 WeakPolarHBondContact O-CB 3.34Å; A104-A108 PolarHBondContact O-N 3.28Å; A105-A108 PolarHBondContact O-N 3.35Å; Y106-A108 PolarHBondContact O-N 2.91Å; A108-C110 VanDerWaalsContact C-N 3.34Å; A108-C110 PolarHBondContact O-N 2.93Å; A108-R111 PolarHBondContact O-N 2.84Å; A108-W112 WeakPolarHBondContact O-CB 3.42Å; A108-W112 PolarHBondContact O-N 2.97Å; A108-T224 HydrophobicContact CB-CG2 4.13Å; A108-S251 WeakPolarHBondContact CB-O 3.48Å; A108-G252 WeakPolarHBondContact CB-O 3.29Å; A108-V253 HydrophobicContact CB-CG2 4.16Å
109	F	98.9	Very high	98.9	Very high	16 Å²	16	63.7 Å²	63.7	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-55.2	-46.7	179.7	168.7	-114.9	0	0	0	112	A105 Y106 R111 W112 R113 P194 V197 G222 T224	A105-F109 WeakPolarHBondContact O-CB 3.36Å; A105-F109 PolarHBondContact O-N 2.68Å; Y106-F109 WeakPolarHBondContact O-CB 3Å; Y106-F109 PolarHBondContact O-N 2.97Å; Y106-F109 VanDerWaalsContact O-N 3.13Å; F109-R111 PolarHBondContact O-N 3.35Å; F109-W112 PolarHBondContact O-N 3.19Å; F109-R113 HydrophobicContact CD2-CB 4.25Å; F109-R113 HydrophobicContact CE2-CB 3.86Å; F109-R113 HydrophobicContact CZ-CB 4.36Å; F109-R113 VanDerWaalsContact CZ-NH1 3.28Å; F109-R113 WeakPolarHBondContact O-CB 3.32Å; F109-R113 WeakPolarHBondContact O-CG 3.45Å; F109-R113 PolarHBondContact O-N 2.93Å; F109-P194 HydrophobicContact CE2-CB 4.07Å; F109-P194 HydrophobicContact CE2-CG 4Å; F109-P194 HydrophobicContact CZ-CG 4.5Å; F109-V197 HydrophobicContact CB-CG2 4.43Å; F109-G222 WeakPolarHBondContact CD2-O 3.5Å; F109-T224 HydrophobicContact CB-CG2 3.94Å
110	C	98.8	Very high	98.9	Very high	66 Å²	66	59.2 Å²	59.2	45%	0.446	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-18.3	178.3	-65.1	0	0	0	0	114.5	Y106 A108	Y106-C110 PolarHBondContact O-N 3.49Å; Y106-C110 VanDerWaalsContact O-N 3.17Å; Y106-C110 PolarHBondContact O-SG 3.35Å; A108-C110 VanDerWaalsContact C-N 3.34Å; A108-C110 PolarHBondContact O-N 2.93Å
111	R	98.8	Very high	98.9	Very high	162 Å²	162	58.3 Å²	58.3	61%	0.611	28%	0.279	S	S	*	.	H	α-helix	trans	-103.2	-42.1	173.9	-70.8	169.6	-78.3	-174.8	-5.1	112.1	E107 A108 F109 R113 E114 V115	E107-R111 PolarHBondContact O-NE 3.02Å; E107-R111 PolarHBondContact O-NH2 2.78Å; A108-R111 PolarHBondContact O-N 2.84Å; F109-R111 PolarHBondContact O-N 3.35Å; R111-R113 PolarHBondContact O-N 3.46Å; R111-E114 PolarHBondContact O-N 3.15Å; R111-V115 PolarHBondContact O-N 3.28Å
112	W	98.9	Very high	98.9	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.011	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-35.2	-176.5	-177.2	-118.6	0	0	0	113.5	A108 F109 E114 V115 R120 L123 L219 C223 T224 P250 V253	A108-W112 WeakPolarHBondContact O-CB 3.42Å; A108-W112 PolarHBondContact O-N 2.97Å; F109-W112 PolarHBondContact O-N 3.19Å; W112-E114 PolarHBondContact O-N 2.86Å; W112-V115 HydrophobicContact CE3-CB 4.07Å; W112-V115 HydrophobicContact CE3-CG1 4.34Å; W112-V115 HydrophobicContact CE3-CG2 3.95Å; W112-V115 HydrophobicContact CZ3-CB 4.36Å; W112-V115 HydrophobicContact CZ3-CG1 4.11Å; W112-V115 HydrophobicContact CZ3-CG2 4.43Å; W112-V115 WeakPolarHBondContact O-CB 3.49Å; W112-V115 PolarHBondContact O-N 3.34Å; W112-V115 VanDerWaalsContact O-N 3.13Å; W112-R120 HydrophobicContact CD2-CG 4.45Å; W112-R120 HydrophobicContact CE3-CG 4.5Å; W112-R120 HydrophobicContact CH2-CB 3.98Å; W112-R120 HydrophobicContact CH2-CG 3.73Å; W112-R120 HydrophobicContact CZ2-CB 3.87Å; W112-R120 HydrophobicContact CZ2-CG 3.64Å; W112-R120 HydrophobicContact CZ3-CG 4.16Å; W112-L123 HydrophobicContact CH2-CB 4.48Å; W112-L123 HydrophobicContact CH2-CD1 3.75Å; W112-L123 HydrophobicContact CZ3-CD1 3.63Å; W112-L219 HydrophobicContact CZ2-CB 4.2Å; W112-L219 HydrophobicContact CZ2-CG 4.21Å; W112-L219 PolarHBondContact NE1-O 3.22Å; W112-C223 PolarHBondContact NE1-O 3.11Å; W112-T224 HydrophobicContact CB-CG2 4.09Å; W112-T224 HydrophobicContact CG-CG2 4.23Å; W112-P250 HydrophobicContact CE3-CG 3.94Å; W112-P250 HydrophobicContact CZ3-CG 3.86Å; W112-V253 HydrophobicContact CB-CG2 3.88Å; W112-V253 HydrophobicContact CD2-CG1 3.9Å; W112-V253 HydrophobicContact CD2-CG2 3.8Å; W112-V253 HydrophobicContact CE3-CG1 4.49Å; W112-V253 HydrophobicContact CE3-CG2 3.98Å; W112-V253 HydrophobicContact CG-CG1 4.11Å; W112-V253 HydrophobicContact CG-CG2 3.77Å; W112-V253 HydrophobicContact CZ2-CG1 4.14Å
113	R	98.8	Very high	98.9	Very high	82 Å²	82	60.7 Å²	60.7	31%	0.309	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.4	174.4	65.7	179.6	-76.5	131.2	7	113.5	F109 R111 P194	F109-R113 HydrophobicContact CD2-CB 4.25Å; F109-R113 HydrophobicContact CE2-CB 3.86Å; F109-R113 HydrophobicContact CZ-CB 4.36Å; F109-R113 VanDerWaalsContact CZ-NH1 3.28Å; F109-R113 WeakPolarHBondContact O-CB 3.32Å; F109-R113 WeakPolarHBondContact O-CG 3.45Å; F109-R113 PolarHBondContact O-N 2.93Å; R111-R113 PolarHBondContact O-N 3.46Å; R113-P194 HydrophobicContact CB-CG 4.19Å
114	E	98.8	Very high	98.9	Very high	139 Å²	139	55.1 Å²	55.1	65%	0.65	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.4	-179.5	-52.3	-55.1	132.6	0	0	112	R111 W112 S116	R111-E114 PolarHBondContact O-N 3.15Å; W112-E114 PolarHBondContact O-N 2.86Å; E114-S116 PolarHBondContact O-N 2.89Å
115	V	98.8	Very high	98.9	Very high	43 Å²	43	57.7 Å²	57.7	26%	0.261	28%	0.279	S	S	.	.	S	Bend	trans	-67.8	123.2	170.4	177.7	0	0	0	0	108.8	R111 W112 E119 R120	R111-V115 PolarHBondContact O-N 3.28Å; W112-V115 HydrophobicContact CE3-CB 4.07Å; W112-V115 HydrophobicContact CE3-CG1 4.34Å; W112-V115 HydrophobicContact CE3-CG2 3.95Å; W112-V115 HydrophobicContact CZ3-CB 4.36Å; W112-V115 HydrophobicContact CZ3-CG1 4.11Å; W112-V115 HydrophobicContact CZ3-CG2 4.43Å; W112-V115 WeakPolarHBondContact O-CB 3.49Å; W112-V115 PolarHBondContact O-N 3.34Å; W112-V115 VanDerWaalsContact O-N 3.13Å; V115-E119 HydrophobicContact CG1-CB 3.88Å; V115-E119 HydrophobicContact CG1-CG 4.12Å; V115-R120 HydrophobicContact CB-CG 4.19Å; V115-R120 HydrophobicContact CG1-CG 3.89Å; V115-R120 PolarHBondContact O-NH1 3.06Å
116	S	98.9	Very high	98.9	Very high	73 Å²	73	61.7 Å²	61.7	51%	0.51	30%	0.297	S	S	.	.			trans	-55.5	144.9	-174.9	79.7	0	0	0	0	112.6	E114 K118 E119 R120	E114-S116 PolarHBondContact O-N 2.89Å; S116-K118 PolarHBondContact O-N 3.42Å; S116-K118 VanDerWaalsContact O-N 3.07Å; S116-E119 PolarHBondContact O-N 3.25Å; S116-E119 PolarHBondContact OG-N 3.01Å; S116-R120 PolarHBondContact O-N 3.45Å
117	A	98.8	Very high	98.9	Very high	35 Å²	35	57 Å²	57	29%	0.289	28%	0.279	S	S	.	.	H	α-helix	trans	-50.5	-34.3	176.5	0	0	0	0	0	113.7	S121 A171 R172	A117-S121 WeakPolarHBondContact O-CB 3.26Å; A117-S121 PolarHBondContact O-N 3.45Å; A117-A171 VanDerWaalsContact CB-O 3.26Å; A117-A171 WeakPolarHBondContact CB-O 3.36Å; A117-R172 HydrophobicContact CB-CG 4.4Å
118	K	98.9	Very high	98.9	Very high	139 Å²	139	53 Å²	53	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-68.1	-35.1	175.7	174.5	172.1	162	56	0	112.9	S116 S121 S122	S116-K118 PolarHBondContact O-N 3.42Å; S116-K118 VanDerWaalsContact O-N 3.07Å; K118-S121 WeakPolarHBondContact O-CB 3.44Å; K118-S122 WeakPolarHBondContact O-CB 3.29Å; K118-S122 PolarHBondContact O-N 2.66Å
119	E	98.9	Very high	98.9	Very high	72 Å²	72	56.2 Å²	56.2	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-81.6	-35.8	177.2	-170.6	54.9	-150.6	0	0	111.8	V115 S116 S121 S122 L123 K126	V115-E119 HydrophobicContact CG1-CB 3.88Å; V115-E119 HydrophobicContact CG1-CG 4.12Å; S116-E119 PolarHBondContact O-N 3.25Å; S116-E119 PolarHBondContact OG-N 3.01Å; E119-S121 VanDerWaalsContact C-N 3.28Å; E119-S121 PolarHBondContact O-N 2.78Å; E119-S122 WeakPolarHBondContact O-CB 3.37Å; E119-S122 PolarHBondContact O-N 2.88Å; E119-S122 VanDerWaalsContact O-N 3.15Å; E119-L123 HydrophobicContact CG-CD1 4.11Å; E119-L123 HydrophobicContact CG-CG 4.41Å; E119-L123 VanDerWaalsContact O-CG 3.32Å; E119-L123 WeakPolarHBondContact O-CG 3.23Å; E119-L123 PolarHBondContact O-N 2.73Å; E119-K126 IonicContact OE1-NZ 3.42Å; E119-K126 PolarHBondContact OE1-NZ 2.74Å
120	R	98.9	Very high	98.9	Very high	22 Å²	22	56.6 Å²	56.6	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-43	169.8	-56.4	-161.6	-54.9	-103.4	9.1	111.4	W112 V115 S116 L123 L124 L219 A220 A221	W112-R120 HydrophobicContact CD2-CG 4.45Å; W112-R120 HydrophobicContact CE3-CG 4.5Å; W112-R120 HydrophobicContact CH2-CB 3.98Å; W112-R120 HydrophobicContact CH2-CG 3.73Å; W112-R120 HydrophobicContact CZ2-CB 3.87Å; W112-R120 HydrophobicContact CZ2-CG 3.64Å; W112-R120 HydrophobicContact CZ3-CG 4.16Å; V115-R120 HydrophobicContact CB-CG 4.19Å; V115-R120 HydrophobicContact CG1-CG 3.89Å; V115-R120 PolarHBondContact O-NH1 3.06Å; S116-R120 PolarHBondContact O-N 3.45Å; R120-L123 PolarHBondContact O-N 3.31Å; R120-L124 WeakPolarHBondContact O-CB 3.37Å; R120-L124 WeakPolarHBondContact O-CG 3.21Å; R120-L124 PolarHBondContact O-N 3.08Å; R120-L219 WeakPolarHBondContact CD-O 3.37Å; R120-L219 PolarHBondContact NE-O 3.29Å; R120-A220 PolarHBondContact NE-O 3.26Å; R120-A220 PolarHBondContact NH2-O 2.86Å; R120-A221 PolarHBondContact NH2-O 3.25Å; R120-A221 VanDerWaalsContact NH2-O 3.12Å
121	S	98.9	Very high	98.9	Very high	17 Å²	17	53.5 Å²	53.5	12%	0.119	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-50.4	170.3	176	0	0	0	0	112.7	A117 K118 E119 L123 L124 R125 S168	A117-S121 WeakPolarHBondContact O-CB 3.26Å; A117-S121 PolarHBondContact O-N 3.45Å; K118-S121 WeakPolarHBondContact O-CB 3.44Å; E119-S121 VanDerWaalsContact C-N 3.28Å; E119-S121 PolarHBondContact O-N 2.78Å; S121-L123 VanDerWaalsContact C-N 3.35Å; S121-L123 PolarHBondContact O-N 2.82Å; S121-L124 PolarHBondContact O-N 3.04Å; S121-R125 PolarHBondContact O-N 2.77Å; S121-S168 WeakPolarHBondContact CA-O 3.33Å; S121-S168 WeakPolarHBondContact CB-O 3.15Å; S121-S168 WeakPolarHBondContact O-CB 3.25Å; S121-S168 PolarHBondContact OG-O 3.13Å
122	S	98.9	Very high	98.9	Very high	40 Å²	40	48.2 Å²	48.2	28%	0.28	24%	0.24	S	C	.	.	H	α-helix	trans	-54.7	-46.5	175.8	179	0	0	0	0	112.5	K118 E119 R125 K126	K118-S122 WeakPolarHBondContact O-CB 3.29Å; K118-S122 PolarHBondContact O-N 2.66Å; E119-S122 WeakPolarHBondContact O-CB 3.37Å; E119-S122 PolarHBondContact O-N 2.88Å; E119-S122 VanDerWaalsContact O-N 3.15Å; S122-R125 PolarHBondContact O-N 3.13Å; S122-K126 VanDerWaalsContact O-CG 3.32Å; S122-K126 WeakPolarHBondContact O-CG 3.37Å; S122-K126 PolarHBondContact O-N 3.07Å
123	L	98.9	Very high	98.9	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-70.3	-41.9	-178.7	-66.4	165.4	0	0	0	112.7	W112 E119 R120 S121 R125 K126 W127 A247 I249	W112-L123 HydrophobicContact CH2-CB 4.48Å; W112-L123 HydrophobicContact CH2-CD1 3.75Å; W112-L123 HydrophobicContact CZ3-CD1 3.63Å; E119-L123 HydrophobicContact CG-CD1 4.11Å; E119-L123 HydrophobicContact CG-CG 4.41Å; E119-L123 VanDerWaalsContact O-CG 3.32Å; E119-L123 WeakPolarHBondContact O-CG 3.23Å; E119-L123 PolarHBondContact O-N 2.73Å; R120-L123 PolarHBondContact O-N 3.31Å; S121-L123 VanDerWaalsContact C-N 3.35Å; S121-L123 PolarHBondContact O-N 2.82Å; L123-R125 VanDerWaalsContact C-N 3.35Å; L123-R125 PolarHBondContact O-N 3.11Å; L123-K126 HydrophobicContact CD2-CD 4.24Å; L123-K126 PolarHBondContact O-N 2.64Å; L123-W127 PolarHBondContact O-N 3.46Å; L123-A247 WeakPolarHBondContact CD2-O 3.15Å; L123-I249 HydrophobicContact CB-CD1 3.97Å
124	L	98.9	Very high	98.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-41.7	173.3	-76.5	168.2	0	0	0	111.7	R120 S121 W127 Y128 L164 L219 A220	R120-L124 WeakPolarHBondContact O-CB 3.37Å; R120-L124 WeakPolarHBondContact O-CG 3.21Å; R120-L124 PolarHBondContact O-N 3.08Å; S121-L124 PolarHBondContact O-N 3.04Å; L124-W127 HydrophobicContact CD2-CE3 4.27Å; L124-W127 PolarHBondContact O-N 3.39Å; L124-Y128 PolarHBondContact O-N 3.01Å; L124-L164 HydrophobicContact CD2-CD2 4.32Å; L124-L219 HydrophobicContact CD1-CB 4.35Å; L124-L219 HydrophobicContact CD2-CB 4.05Å; L124-L219 HydrophobicContact CD2-CD2 4.18Å; L124-A220 HydrophobicContact CD1-CB 4.06Å
125	R	98.9	Very high	98.8	Very high	74 Å²	74	49.1 Å²	49.1	28%	0.279	25%	0.248	S	C	.	.	H	α-helix	trans	-70.6	-30	177.2	-169.4	168.3	-95.1	-76.9	12.6	113.2	S121 S122 L123 Y128 N129 E165 E169	S121-R125 PolarHBondContact O-N 2.77Å; S122-R125 PolarHBondContact O-N 3.13Å; L123-R125 VanDerWaalsContact C-N 3.35Å; L123-R125 PolarHBondContact O-N 3.11Å; R125-Y128 HydrophobicContact CG-CD1 4.28Å; R125-N129 PolarHBondContact O-N 2.99Å; R125-N129 PolarHBondContact O-ND2 3.23Å; R125-N129 PolarHBondContact O-OD1 2.94Å; R125-E165 IonicContact CZ-OE1 3.19Å; R125-E165 IonicContact NH1-OE1 2.68Å; R125-E165 PolarHBondContact NH1-OE1 3.04Å; R125-E165 VanDerWaalsContact NH2-CG 3.26Å; R125-E165 IonicContact NH2-OE1 2.79Å; R125-E165 PolarHBondContact NH2-OE1 2.83Å; R125-E169 IonicContact CZ-OE1 3.15Å; R125-E169 IonicContact NH2-OE1 2.77Å; R125-E169 PolarHBondContact NH2-OE1 2.85Å
126	K	98.9	Very high	98.8	Very high	85 Å²	85	50.2 Å²	50.2	37%	0.37	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-42.9	168.1	-70.9	165.5	-166.1	162.8	0	111.5	E119 S122 L123 N129 L130 A247	E119-K126 IonicContact OE1-NZ 3.42Å; E119-K126 PolarHBondContact OE1-NZ 2.74Å; S122-K126 VanDerWaalsContact O-CG 3.32Å; S122-K126 WeakPolarHBondContact O-CG 3.37Å; S122-K126 PolarHBondContact O-N 3.07Å; L123-K126 HydrophobicContact CD2-CD 4.24Å; L123-K126 PolarHBondContact O-N 2.64Å; K126-N129 PolarHBondContact O-N 2.93Å; K126-L130 PolarHBondContact O-N 2.81Å; K126-A247 HydrophobicContact CB-CB 4.03Å; K126-A247 WeakPolarHBondContact CD-O 3.31Å
127	W	98.9	Very high	98.7	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-42.6	178.8	-167.9	8.4	0	0	0	112	L123 L124 L130 M131 L164 V215 L219 L240 A244 A247 I249 Y254	L123-W127 PolarHBondContact O-N 3.46Å; L124-W127 HydrophobicContact CD2-CE3 4.27Å; L124-W127 PolarHBondContact O-N 3.39Å; W127-L130 PolarHBondContact O-N 2.93Å; W127-M131 PolarHBondContact O-N 2.92Å; W127-L164 HydrophobicContact CB-CD1 4.1Å; W127-L164 HydrophobicContact CD2-CD1 3.57Å; W127-L164 HydrophobicContact CE3-CD1 3.95Å; W127-L164 HydrophobicContact CE3-CD2 4.24Å; W127-L164 HydrophobicContact CG-CD1 3.64Å; W127-L164 HydrophobicContact CZ3-CD2 4.35Å; W127-V215 HydrophobicContact CH2-CG1 3.86Å; W127-V215 HydrophobicContact CZ3-CG1 3.97Å; W127-L219 HydrophobicContact CZ3-CD2 3.83Å; W127-L240 HydrophobicContact CZ2-CB 4.17Å; W127-L240 HydrophobicContact CZ2-CD2 4.37Å; W127-L240 VanDerWaalsContact CZ2-O 3.32Å; W127-L240 WeakPolarHBondContact CZ2-O 3.32Å; W127-L240 PolarHBondContact NE1-O 3.29Å; W127-L240 VanDerWaalsContact NE1-O 3.12Å; W127-A244 HydrophobicContact CD2-CB 4.12Å; W127-A244 HydrophobicContact CE3-CB 4.47Å; W127-A244 HydrophobicContact CH2-CB 4.07Å; W127-A244 HydrophobicContact CZ2-CB 3.66Å; W127-A244 HydrophobicContact CZ3-CB 4.45Å; W127-A247 HydrophobicContact CB-CB 3.7Å; W127-A247 HydrophobicContact CG-CB 4.29Å; W127-I249 HydrophobicContact CD2-CG1 4.45Å; W127-I249 HydrophobicContact CE3-CD1 4.06Å; W127-I249 HydrophobicContact CE3-CG1 4.03Å; W127-Y254 HydrophobicContact CH2-CD1 4.35Å; W127-Y254 AromaticContact CH2-CD2 3.76Å; W127-Y254 HydrophobicContact CH2-CD2 3.76Å; W127-Y254 AromaticContact CH2-CE2 3.95Å; W127-Y254 HydrophobicContact CH2-CE2 3.95Å; W127-Y254 AromaticContact CH2-CG 3.98Å; W127-Y254 HydrophobicContact CH2-CG 3.98Å; W127-Y254 HydrophobicContact CZ2-CE1 4.43Å; W127-Y254 HydrophobicContact CZ2-CE2 4.46Å
128	Y	98.9	Very high	98.7	Very high	29 Å²	29	47 Å²	47	11%	0.114	23%	0.225	C	C	.	.	H	α-helix	trans	-52.6	-53.7	167.4	160.4	-105.7	0	0	0	112.4	L124 R125 L130 M131 I132 A161 F162 E165	L124-Y128 PolarHBondContact O-N 3.01Å; R125-Y128 HydrophobicContact CG-CD1 4.28Å; Y128-L130 PolarHBondContact O-N 2.87Å; Y128-M131 WeakPolarHBondContact O-CB 3.41Å; Y128-M131 PolarHBondContact O-N 2.9Å; Y128-I132 HydrophobicContact CD2-CG1 4.04Å; Y128-I132 HydrophobicContact CE1-CG1 4.43Å; Y128-I132 HydrophobicContact CE2-CD1 3.91Å; Y128-I132 HydrophobicContact CE2-CG1 3.6Å; Y128-I132 PolarHBondContact O-N 2.83Å; Y128-A161 HydrophobicContact CD2-CB 3.75Å; Y128-A161 VanDerWaalsContact CD2-O 3.24Å; Y128-A161 WeakPolarHBondContact CD2-O 3.43Å; Y128-A161 HydrophobicContact CE2-CB 3.98Å; Y128-F162 HydrophobicContact CE2-CD1 4.08Å; Y128-F162 HydrophobicContact CE2-CE1 4.48Å; Y128-E165 HydrophobicContact CD1-CB 4.31Å; Y128-E165 HydrophobicContact CD1-CG 4.43Å; Y128-E165 HydrophobicContact CD2-CB 3.71Å; Y128-E165 HydrophobicContact CE1-CB 4.45Å; Y128-E165 HydrophobicContact CE1-CG 4.28Å; Y128-E165 HydrophobicContact CE2-CB 3.83Å; Y128-E165 HydrophobicContact CE2-CG 4.33Å; Y128-E165 VanDerWaalsContact CE2-OE2 3.25Å; Y128-E165 WeakPolarHBondContact CE2-OE2 3.49Å; Y128-E165 HydrophobicContact CG-CB 3.92Å; Y128-E165 VanDerWaalsContact OH-CD 3.26Å; Y128-E165 PolarHBondContact OH-OE1 3.33Å; Y128-E165 PolarHBondContact OH-OE2 3.2Å
129	N	98.9	Very high	98.7	Very high	69 Å²	69	40.4 Å²	40.4	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-56.8	-40.9	-179.2	-70.5	-15.5	0	0	0	111.5	R125 K126 I132 Q133	R125-N129 PolarHBondContact O-N 2.99Å; R125-N129 PolarHBondContact O-ND2 3.23Å; R125-N129 PolarHBondContact O-OD1 2.94Å; K126-N129 PolarHBondContact O-N 2.93Å; N129-I132 PolarHBondContact O-N 3.33Å; N129-Q133 WeakPolarHBondContact O-CB 3.07Å; N129-Q133 WeakPolarHBondContact O-CG 3.43Å; N129-Q133 PolarHBondContact O-N 3.23Å
130	L	98.8	Very high	98.7	Very high	25 Å²	25	41.9 Å²	41.9	13%	0.131	20%	0.199	C	C	.	.	H	α-helix	trans	-67	-35.8	176.8	-79.7	162.9	0	0	0	112.9	K126 W127 Y128 Q133 N134 L243 Q246 A247	K126-L130 PolarHBondContact O-N 2.81Å; W127-L130 PolarHBondContact O-N 2.93Å; Y128-L130 PolarHBondContact O-N 2.87Å; L130-Q133 PolarHBondContact O-N 3.26Å; L130-N134 WeakPolarHBondContact O-CB 3.42Å; L130-N134 PolarHBondContact O-N 3.34Å; L130-N134 PolarHBondContact O-ND2 3.23Å; L130-L243 HydrophobicContact CB-CB 4.38Å; L130-L243 HydrophobicContact CB-CD2 4.24Å; L130-Q246 HydrophobicContact CD1-CB 3.77Å; L130-Q246 HydrophobicContact CD2-CB 4.47Å; L130-A247 HydrophobicContact CD1-CB 3.87Å
131	M	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-42.6	171.6	-72.9	-174.1	64.4	0	0	112.1	W127 Y128 Q133 N134 K135 L138 A161 L164 T212 L240 L243	W127-M131 PolarHBondContact O-N 2.92Å; Y128-M131 WeakPolarHBondContact O-CB 3.41Å; Y128-M131 PolarHBondContact O-N 2.9Å; M131-Q133 VanDerWaalsContact C-N 3.35Å; M131-N134 CarbonylContact O-C 3.55Å; M131-N134 PolarHBondContact O-N 2.98Å; M131-K135 VanDerWaalsContact O-CA 3.29Å; M131-K135 WeakPolarHBondContact O-CA 3.49Å; M131-K135 PolarHBondContact O-N 3.33Å; M131-L138 HydrophobicContact CB-CD1 4.21Å; M131-L138 HydrophobicContact CG-CD1 4.26Å; M131-A161 HydrophobicContact CB-CB 4.05Å; M131-A161 HydrophobicContact CE-CB 4.21Å; M131-A161 HydrophobicContact SD-CB 4.46Å; M131-L164 HydrophobicContact SD-CD1 3.5Å; M131-L164 WeakPolarHBondContact SD-CD1 3.42Å; M131-L164 HydrophobicContact SD-CG 4.31Å; M131-T212 HydrophobicContact CE-CG2 4.33Å; M131-T212 HydrophobicContact SD-CG2 4.13Å; M131-L240 HydrophobicContact CE-CD2 3.78Å; M131-L240 HydrophobicContact CG-CD2 4.22Å; M131-L240 HydrophobicContact SD-CD2 3.47Å; M131-L240 WeakPolarHBondContact SD-CD2 3.42Å; M131-L243 HydrophobicContact CG-CD1 4.04Å
132	I	98.8	Very high	98.6	Very high	51 Å²	51	40.2 Å²	40.2	26%	0.262	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-39.3	176.6	-62.7	-59.6	0	0	0	111.3	Y128 N129 K135 L158 A161	Y128-I132 HydrophobicContact CD2-CG1 4.04Å; Y128-I132 HydrophobicContact CE1-CG1 4.43Å; Y128-I132 HydrophobicContact CE2-CD1 3.91Å; Y128-I132 HydrophobicContact CE2-CG1 3.6Å; Y128-I132 PolarHBondContact O-N 2.83Å; N129-I132 PolarHBondContact O-N 3.33Å; I132-K135 WeakPolarHBondContact O-CB 3.42Å; I132-K135 VanDerWaalsContact O-CG 3.29Å; I132-K135 WeakPolarHBondContact O-CG 3.33Å; I132-K135 PolarHBondContact O-N 2.98Å; I132-L158 HydrophobicContact CD1-CD2 3.97Å; I132-A161 HydrophobicContact CD1-CB 3.65Å; I132-A161 HydrophobicContact CG1-CB 4.21Å
133	Q	98.6	Very high	98.6	Very high	137 Å²	137	38.4 Å²	38.4	64%	0.64	18%	0.177	S	C	*	.	H	α-helix	trans	-65.7	-35.3	176.7	-72.8	163.7	23	0	0	113.1	N129 L130 M131	N129-Q133 WeakPolarHBondContact O-CB 3.07Å; N129-Q133 WeakPolarHBondContact O-CG 3.43Å; N129-Q133 PolarHBondContact O-N 3.23Å; L130-Q133 PolarHBondContact O-N 3.26Å; M131-Q133 VanDerWaalsContact C-N 3.35Å
134	N	98.5	Very high	98.6	Very high	36 Å²	36	38 Å²	38	19%	0.193	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	13.8	-178.9	-66.6	-90.9	0	0	0	112.9	L58 L130 M131 D136 D137 L138 L243	L58-N134 HydrophobicContact CD1-CB 4.04Å; L130-N134 WeakPolarHBondContact O-CB 3.42Å; L130-N134 PolarHBondContact O-N 3.34Å; L130-N134 PolarHBondContact O-ND2 3.23Å; M131-N134 CarbonylContact O-C 3.55Å; M131-N134 PolarHBondContact O-N 2.98Å; N134-D136 PolarHBondContact O-N 2.87Å; N134-D137 PolarHBondContact O-N 3.24Å; N134-L138 HydrophobicContact CB-CD1 4.29Å; N134-L138 HydrophobicContact CB-CG 4.28Å; N134-L138 WeakPolarHBondContact O-CG 3.34Å; N134-L138 PolarHBondContact O-N 2.89Å; N134-L243 HydrophobicContact CB-CD1 4.27Å
135	K	98.4	Very high	98.6	Very high	70 Å²	70	38 Å²	38	30%	0.304	18%	0.176	S	C	.	.	H	α-helix	trans	-56.5	-32.4	-163.8	65.5	174.8	173.8	49.6	0	115	M131 I132 A139 I157	M131-K135 VanDerWaalsContact O-CA 3.29Å; M131-K135 WeakPolarHBondContact O-CA 3.49Å; M131-K135 PolarHBondContact O-N 3.33Å; I132-K135 WeakPolarHBondContact O-CB 3.42Å; I132-K135 VanDerWaalsContact O-CG 3.29Å; I132-K135 WeakPolarHBondContact O-CG 3.33Å; I132-K135 PolarHBondContact O-N 2.98Å; K135-A139 VanDerWaalsContact O-CB 3.32Å; K135-A139 WeakPolarHBondContact O-CB 3.36Å; K135-A139 PolarHBondContact O-N 3.36Å; K135-I157 HydrophobicContact CB-CG2 3.79Å
136	D	97.6	Very high	98.5	Very high	66 Å²	66	34.6 Å²	34.6	35%	0.353	16%	0.163	S	C	.	.	H	α-helix	trans	-81.8	-36.7	-173.6	-53.4	-58.6	0	0	0	111.4	N134 A139 R140 H154	N134-D136 PolarHBondContact O-N 2.87Å; D136-A139 PolarHBondContact O-N 3.24Å; D136-R140 WeakPolarHBondContact O-CD 3.42Å; D136-R140 WeakPolarHBondContact O-CG 3.46Å; D136-R140 PolarHBondContact O-N 3.48Å; D136-H154 IonicContact OD1-CE1 2.76Å; D136-H154 PolarHBondContact OD1-CE1 2.91Å; D136-H154 IonicContact OD1-ND1 2.95Å; D136-H154 PolarHBondContact OD1-ND1 2.87Å
137	D	97.9	Very high	98.5	Very high	36 Å²	36	30.6 Å²	30.6	19%	0.193	15%	0.146	C	C	.	.	H	α-helix	trans	-67.6	-40.8	170.7	-87.7	18.6	0	0	0	111.4	L54 S55 L58 N134 R140 I141	L54-D137 HydrophobicContact CD2-CB 3.71Å; L54-D137 WeakPolarHBondContact CD2-OD1 3.19Å; S55-D137 WeakPolarHBondContact CB-OD2 3.4Å; S55-D137 PolarHBondContact N-OD2 3.22Å; L58-D137 HydrophobicContact CD1-CB 3.71Å; N134-D137 PolarHBondContact O-N 3.24Å; D137-R140 WeakPolarHBondContact O-CB 3.44Å; D137-R140 PolarHBondContact O-N 2.93Å; D137-I141 WeakPolarHBondContact O-CG1 3.37Å; D137-I141 PolarHBondContact O-N 2.84Å
138	L	98.7	Very high	98.5	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-41.5	174.2	-64.2	173.5	0	0	0	111.8	M131 N134 I141 I142 I157 A239 L243	M131-L138 HydrophobicContact CB-CD1 4.21Å; M131-L138 HydrophobicContact CG-CD1 4.26Å; N134-L138 HydrophobicContact CB-CD1 4.29Å; N134-L138 HydrophobicContact CB-CG 4.28Å; N134-L138 WeakPolarHBondContact O-CG 3.34Å; N134-L138 PolarHBondContact O-N 2.89Å; L138-I141 PolarHBondContact O-N 3.07Å; L138-I142 PolarHBondContact O-N 3Å; L138-I157 HydrophobicContact CB-CD1 3.52Å; L138-I157 HydrophobicContact CB-CG1 3.81Å; L138-I157 HydrophobicContact CB-CG2 4.29Å; L138-I157 HydrophobicContact CD1-CD1 4.39Å; L138-I157 HydrophobicContact CD1-CG2 4.26Å; L138-A239 HydrophobicContact CD2-CB 3.64Å; L138-L243 HydrophobicContact CD1-CD1 3.86Å; L138-L243 HydrophobicContact CD2-CD1 4.26Å
139	A	98.6	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-36.8	175.7	0	0	0	0	0	112.1	K135 D136 I142 T143 L150 A153 H154 I157	K135-A139 VanDerWaalsContact O-CB 3.32Å; K135-A139 WeakPolarHBondContact O-CB 3.36Å; K135-A139 PolarHBondContact O-N 3.36Å; D136-A139 PolarHBondContact O-N 3.24Å; A139-I142 PolarHBondContact O-N 3.42Å; A139-T143 WeakPolarHBondContact O-CB 3.02Å; A139-T143 PolarHBondContact O-N 3.33Å; A139-T143 PolarHBondContact O-OG1 3.28Å; A139-L150 HydrophobicContact CB-CD1 3.99Å; A139-A153 HydrophobicContact CB-CB 4.02Å; A139-A153 VanDerWaalsContact O-CB 3.28Å; A139-A153 WeakPolarHBondContact O-CB 3.38Å; A139-H154 HydrophobicContact CB-CB 4.48Å; A139-H154 WeakPolarHBondContact CB-ND1 3.25Å; A139-I157 HydrophobicContact CB-CG1 4.24Å
140	R	98.1	Very high	98.4	Very high	104 Å²	104	28 Å²	28	39%	0.392	13%	0.134	S	C	.	.	H	α-helix	trans	-62.5	-41.5	171.6	-73.1	165	-179.4	-83.6	-2	112	L54 D136 D137 T143 A144 L150 F374	L54-R140 HydrophobicContact CD2-CB 3.87Å; L54-R140 HydrophobicContact CD2-CG 4.48Å; D136-R140 WeakPolarHBondContact O-CD 3.42Å; D136-R140 WeakPolarHBondContact O-CG 3.46Å; D136-R140 PolarHBondContact O-N 3.48Å; D137-R140 WeakPolarHBondContact O-CB 3.44Å; D137-R140 PolarHBondContact O-N 2.93Å; R140-T143 PolarHBondContact O-N 3.08Å; R140-A144 WeakPolarHBondContact O-CB 3.48Å; R140-A144 PolarHBondContact O-N 3.37Å; R140-L150 HydrophobicContact CG-CD1 4.34Å; R140-F374 HydrophobicContact CB-CE1 4.06Å; R140-F374 HydrophobicContact CG-CE1 4.04Å; R140-F374 WeakPolarHBondContact O-CZ 3.34Å
141	I	98.5	Very high	98.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-51.9	175.3	-70.8	168.7	0	0	0	110.4	L54 L58 D137 L138 T143 A144 E145 F235 A239	L54-I141 HydrophobicContact CD1-CG1 3.89Å; L58-I141 HydrophobicContact CB-CD1 4.03Å; D137-I141 WeakPolarHBondContact O-CG1 3.37Å; D137-I141 PolarHBondContact O-N 2.84Å; L138-I141 PolarHBondContact O-N 3.07Å; I141-T143 VanDerWaalsContact C-N 3.32Å; I141-T143 PolarHBondContact O-N 2.91Å; I141-A144 PolarHBondContact O-N 2.97Å; I141-A144 VanDerWaalsContact O-N 3.16Å; I141-E145 WeakPolarHBondContact O-CG 3.45Å; I141-E145 PolarHBondContact O-N 2.91Å; I141-E145 VanDerWaalsContact O-N 3.09Å; I141-F235 HydrophobicContact CG2-CB 3.6Å; I141-A239 HydrophobicContact CD1-CB 4.04Å
142	I	98.7	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-46.2	176.2	-68.1	179.3	0	0	0	111.5	L138 A139 A144 E145 S146 K148 A153 E156 I157 P207 S236	L138-I142 PolarHBondContact O-N 3Å; A139-I142 PolarHBondContact O-N 3.42Å; I142-A144 VanDerWaalsContact C-N 3.29Å; I142-A144 PolarHBondContact O-N 2.98Å; I142-E145 PolarHBondContact O-N 3.28Å; I142-S146 WeakPolarHBondContact CG2-OG 3.47Å; I142-S146 WeakPolarHBondContact O-CB 3.45Å; I142-S146 PolarHBondContact O-N 3.32Å; I142-S146 PolarHBondContact O-OG 2.82Å; I142-K148 HydrophobicContact CG2-CD 3.75Å; I142-K148 HydrophobicContact CG2-CG 4.08Å; I142-A153 HydrophobicContact CB-CB 3.97Å; I142-A153 HydrophobicContact CG2-CB 3.77Å; I142-E156 HydrophobicContact CD1-CB 4.27Å; I142-E156 HydrophobicContact CD1-CG 4.05Å; I142-I157 HydrophobicContact CD1-CD1 3.38Å; I142-I157 HydrophobicContact CD1-CG1 3.8Å; I142-I157 HydrophobicContact CG1-CD1 4.33Å; I142-P207 HydrophobicContact CG1-CG 4.18Å; I142-P207 HydrophobicContact CG2-CG 4.37Å; I142-S236 VanDerWaalsContact CG1-OG 3.28Å; I142-S236 WeakPolarHBondContact CG1-OG 3Å
143	T	98.6	Very high	98.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-40.4	-180	-58.4	0	0	0	0	111.4	A139 R140 I141 G147 K148 L150 A153 F374	A139-T143 WeakPolarHBondContact O-CB 3.02Å; A139-T143 PolarHBondContact O-N 3.33Å; A139-T143 PolarHBondContact O-OG1 3.28Å; R140-T143 PolarHBondContact O-N 3.08Å; I141-T143 VanDerWaalsContact C-N 3.32Å; I141-T143 PolarHBondContact O-N 2.91Å; T143-G147 WeakPolarHBondContact O-CA 3.17Å; T143-G147 PolarHBondContact O-N 3.05Å; T143-K148 WeakPolarHBondContact CG2-O 3.31Å; T143-L150 HydrophobicContact CG2-CB 4.31Å; T143-L150 WeakPolarHBondContact OG1-CA 3.48Å; T143-L150 VanDerWaalsContact OG1-CD1 3.26Å; T143-L150 WeakPolarHBondContact OG1-CD1 3.13Å; T143-A153 WeakPolarHBondContact OG1-CB 3.33Å; T143-F374 HydrophobicContact CG2-CD1 3.72Å; T143-F374 HydrophobicContact CG2-CD2 3.83Å; T143-F374 HydrophobicContact CG2-CE1 3.61Å; T143-F374 HydrophobicContact CG2-CE2 3.73Å; T143-F374 HydrophobicContact CG2-CG 3.83Å; T143-F374 HydrophobicContact CG2-CZ 3.63Å
144	A	98.1	Very high	98.4	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-46.7	179.3	0	0	0	0	0	112.8	L51 D80 P81 L87 R140 I141 I142 F374	L51-A144 HydrophobicContact CD2-CB 3.73Å; D80-A144 WeakPolarHBondContact CA-O 3.41Å; P81-A144 VanDerWaalsContact CD-O 3.28Å; P81-A144 WeakPolarHBondContact CD-O 3.5Å; L87-A144 HydrophobicContact CD1-CB 4.1Å; L87-A144 WeakPolarHBondContact CD1-O 3.36Å; L87-A144 HydrophobicContact CD2-CB 4.13Å; R140-A144 WeakPolarHBondContact O-CB 3.48Å; R140-A144 PolarHBondContact O-N 3.37Å; I141-A144 PolarHBondContact O-N 2.97Å; I141-A144 VanDerWaalsContact O-N 3.16Å; I142-A144 VanDerWaalsContact C-N 3.29Å; I142-A144 PolarHBondContact O-N 2.98Å; A144-F374 HydrophobicContact CB-CE2 4.13Å; A144-F374 HydrophobicContact CB-CZ 4.01Å
145	E	98.3	Very high	98.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-84.9	-35.5	-174.3	68.1	-174.7	166	0	0	113.9	L87 I141 I142 T233 F235 S236	L87-E145 HydrophobicContact CD1-CB 4.33Å; I141-E145 WeakPolarHBondContact O-CG 3.45Å; I141-E145 PolarHBondContact O-N 2.91Å; I141-E145 VanDerWaalsContact O-N 3.09Å; I142-E145 PolarHBondContact O-N 3.28Å; E145-T233 HydrophobicContact CB-CG2 4.07Å; E145-T233 HydrophobicContact CG-CG2 3.78Å; E145-T233 WeakPolarHBondContact OE2-CA 3.42Å; E145-F235 HydrophobicContact CB-CD2 4.36Å; E145-F235 VanDerWaalsContact OE2-CB 3.32Å; E145-F235 WeakPolarHBondContact OE2-CB 3.42Å; E145-F235 WeakPolarHBondContact OE2-CD2 3.37Å; E145-F235 PolarHBondContact OE2-N 3.36Å; E145-S236 WeakPolarHBondContact OE1-CB 3.48Å; E145-S236 PolarHBondContact OE1-N 3.49Å; E145-S236 PolarHBondContact OE1-OG 3.45Å
146	S	98.3	Very high	98.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-95.7	-12.6	179.6	71.9	0	0	0	0	114.2	I142 K148	I142-S146 WeakPolarHBondContact CG2-OG 3.47Å; I142-S146 WeakPolarHBondContact O-CB 3.45Å; I142-S146 PolarHBondContact O-N 3.32Å; I142-S146 PolarHBondContact O-OG 2.82Å; S146-K148 PolarHBondContact O-N 3.2Å; S146-K148 VanDerWaalsContact O-N 3.15Å; S146-K148 WeakPolarHBondContact OG-CE 3.39Å
147	G	98.1	Very high	98.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	13%	0.128	C	C	.	.			trans	74.9	-11.9	-179.1	0	0	0	0	0	116.1	T143 P382	T143-G147 WeakPolarHBondContact O-CA 3.17Å; T143-G147 PolarHBondContact O-N 3.05Å; G147-P382 WeakPolarHBondContact O-CD 3.33Å
148	K	98.6	Very high	98.5	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	14%	0.136	C	C	.	.			trans	-59.4	152.8	-175	79.4	-179.7	68	-173.1	0	112.3	I142 T143 S146 L150 E152 A153 E156 N205 N335	I142-K148 HydrophobicContact CG2-CD 3.75Å; I142-K148 HydrophobicContact CG2-CG 4.08Å; T143-K148 WeakPolarHBondContact CG2-O 3.31Å; S146-K148 PolarHBondContact O-N 3.2Å; S146-K148 VanDerWaalsContact O-N 3.15Å; S146-K148 WeakPolarHBondContact OG-CE 3.39Å; K148-L150 PolarHBondContact O-N 2.86Å; K148-E152 HydrophobicContact CD-CB 4.09Å; K148-E152 HydrophobicContact CG-CB 4.35Å; K148-A153 HydrophobicContact CD-CB 4.31Å; K148-A153 HydrophobicContact CG-CB 4.2Å; K148-E156 IonicContact NZ-OE2 2.75Å; K148-E156 PolarHBondContact NZ-OE2 3.16Å; K148-N205 PolarHBondContact NZ-O 2.82Å; K148-N335 VanDerWaalsContact CB-OD1 3.26Å; K148-N335 WeakPolarHBondContact CB-OD1 3.46Å; K148-N335 WeakPolarHBondContact CE-OD1 3.2Å; K148-N335 PolarHBondContact NZ-OD1 3.49Å
149	P	98.6	Very high	98.5	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.026	14%	0.143	C	C	.	.			trans	-55.2	138.5	177.3	-23.1	32.8	0	0	0	112.5	K151 E152 A153 T378	P149-K151 PolarHBondContact O-N 2.86Å; P149-E152 HydrophobicContact CB-CG 4.33Å; P149-E152 HydrophobicContact CG-CG 4.41Å; P149-E152 WeakPolarHBondContact O-CA 3.33Å; P149-E152 WeakPolarHBondContact O-CB 3.49Å; P149-E152 PolarHBondContact O-N 2.95Å; P149-A153 PolarHBondContact O-N 2.87Å; P149-A153 VanDerWaalsContact O-N 3.11Å; P149-T378 HydrophobicContact CG-CG2 4.32Å
150	L	98.3	Very high	98.5	Very high	40 Å²	40	29.2 Å²	29.2	21%	0.209	14%	0.143	C	C	.	.	H	α-helix	trans	-55.5	-32.7	-176	-178.3	61.8	0	0	0	113	A139 R140 T143 K148 E152 A153 H154 G373	A139-L150 HydrophobicContact CB-CD1 3.99Å; R140-L150 HydrophobicContact CG-CD1 4.34Å; T143-L150 HydrophobicContact CG2-CB 4.31Å; T143-L150 WeakPolarHBondContact OG1-CA 3.48Å; T143-L150 VanDerWaalsContact OG1-CD1 3.26Å; T143-L150 WeakPolarHBondContact OG1-CD1 3.13Å; K148-L150 PolarHBondContact O-N 2.86Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 3.45Å; L150-A153 PolarHBondContact O-N 3.09Å; L150-H154 PolarHBondContact O-CD2 2.99Å; L150-H154 PolarHBondContact O-N 3.41Å; L150-G373 WeakPolarHBondContact CB-O 3.19Å; L150-G373 PolarHBondContact N-O 3.11Å
151	K	98.1	Very high	98.5	Very high	185 Å²	185	24.2 Å²	24.2	80%	0.804	12%	0.124	S	C	*	.	H	α-helix	trans	-60.1	-39.7	172.7	-172.8	-179.5	179	-176.4	0	112.9	P149 G155	P149-K151 PolarHBondContact O-N 2.86Å; K151-G155 PolarHBondContact O-N 2.9Å
152	E	98.3	Very high	98.5	Very high	48 Å²	48	27.8 Å²	27.8	22%	0.224	14%	0.14	C	C	.	.	H	α-helix	trans	-73.5	-36.4	175.8	-60.2	-169.4	166.7	0	0	111.6	K148 P149 L150 G155 E156 R334 N335	K148-E152 HydrophobicContact CD-CB 4.09Å; K148-E152 HydrophobicContact CG-CB 4.35Å; P149-E152 HydrophobicContact CB-CG 4.33Å; P149-E152 HydrophobicContact CG-CG 4.41Å; P149-E152 WeakPolarHBondContact O-CA 3.33Å; P149-E152 WeakPolarHBondContact O-CB 3.49Å; P149-E152 PolarHBondContact O-N 2.95Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 3.45Å; E152-G155 PolarHBondContact O-N 2.84Å; E152-G155 VanDerWaalsContact O-N 3.16Å; E152-E156 PolarHBondContact O-N 2.85Å; E152-R334 WeakPolarHBondContact OE1-CA 3.29Å; E152-N335 VanDerWaalsContact CD-N 3.34Å; E152-N335 PolarHBondContact OE1-N 2.85Å; E152-N335 VanDerWaalsContact OE1-N 3.15Å; E152-N335 WeakPolarHBondContact OE2-CA 3.18Å; E152-N335 PolarHBondContact OE2-N 2.87Å
153	A	98.7	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.9	-40.1	174.4	0	0	0	0	0	112.3	A139 I142 T143 K148 P149 L150 E156 I157	A139-A153 HydrophobicContact CB-CB 4.02Å; A139-A153 VanDerWaalsContact O-CB 3.28Å; A139-A153 WeakPolarHBondContact O-CB 3.38Å; I142-A153 HydrophobicContact CB-CB 3.97Å; I142-A153 HydrophobicContact CG2-CB 3.77Å; T143-A153 WeakPolarHBondContact OG1-CB 3.33Å; K148-A153 HydrophobicContact CD-CB 4.31Å; K148-A153 HydrophobicContact CG-CB 4.2Å; P149-A153 PolarHBondContact O-N 2.87Å; P149-A153 VanDerWaalsContact O-N 3.11Å; L150-A153 PolarHBondContact O-N 3.09Å; A153-E156 PolarHBondContact O-N 2.87Å; A153-I157 WeakPolarHBondContact O-CG1 3.23Å; A153-I157 PolarHBondContact O-N 3.27Å
154	H	98.6	Very high	98.6	Very high	59 Å²	59	27.8 Å²	27.8	27%	0.273	14%	0.139	S	C	.	.	H	α-helix	trans	-61.3	-42.5	170.2	-71	-65.3	0	0	0	112.1	D136 A139 L150 E156 I157 L158	D136-H154 IonicContact OD1-CE1 2.76Å; D136-H154 PolarHBondContact OD1-CE1 2.91Å; D136-H154 IonicContact OD1-ND1 2.95Å; D136-H154 PolarHBondContact OD1-ND1 2.87Å; A139-H154 HydrophobicContact CB-CB 4.48Å; A139-H154 WeakPolarHBondContact CB-ND1 3.25Å; L150-H154 PolarHBondContact O-CD2 2.99Å; L150-H154 PolarHBondContact O-N 3.41Å; H154-E156 VanDerWaalsContact C-N 3.34Å; H154-E156 PolarHBondContact O-N 3.26Å; H154-I157 PolarHBondContact O-N 3.49Å; H154-L158 WeakPolarHBondContact O-CG 3.19Å; H154-L158 PolarHBondContact O-N 3.36Å; H154-L158 VanDerWaalsContact O-N 3.07Å
155	G	98.4	Very high	98.6	Very high	40 Å²	40	29.6 Å²	29.6	41%	0.412	15%	0.147	S	C	.	.	H	α-helix	trans	-60.1	-42.1	174.9	0	0	0	0	0	112.6	K151 E152 Y159	K151-G155 PolarHBondContact O-N 2.9Å; E152-G155 PolarHBondContact O-N 2.84Å; E152-G155 VanDerWaalsContact O-N 3.16Å; G155-Y159 WeakPolarHBondContact O-CB 3.31Å; G155-Y159 PolarHBondContact O-N 3.43Å
156	E	98.7	Very high	98.6	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.019	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-45.3	173.5	-177.1	178.9	161.7	0	0	112.2	I142 K148 E152 A153 H154 L158 Y159 S160 F206 P207 S208 A209	I142-E156 HydrophobicContact CD1-CB 4.27Å; I142-E156 HydrophobicContact CD1-CG 4.05Å; K148-E156 IonicContact NZ-OE2 2.75Å; K148-E156 PolarHBondContact NZ-OE2 3.16Å; E152-E156 PolarHBondContact O-N 2.85Å; A153-E156 PolarHBondContact O-N 2.87Å; H154-E156 VanDerWaalsContact C-N 3.34Å; H154-E156 PolarHBondContact O-N 3.26Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.06Å; E156-Y159 PolarHBondContact O-N 2.85Å; E156-S160 WeakPolarHBondContact O-CB 3.42Å; E156-S160 PolarHBondContact O-N 3.45Å; E156-F206 HydrophobicContact CB-CD1 4.21Å; E156-F206 HydrophobicContact CG-CB 4.41Å; E156-F206 HydrophobicContact CG-CD1 3.86Å; E156-F206 WeakPolarHBondContact OE1-CA 3.48Å; E156-F206 WeakPolarHBondContact OE1-CB 3.03Å; E156-F206 WeakPolarHBondContact OE2-CA 3.27Å; E156-F206 WeakPolarHBondContact OE2-CD1 3.45Å; E156-P207 WeakPolarHBondContact OE1-CD 3.38Å; E156-P207 VanDerWaalsContact OE1-N 3.12Å; E156-S208 WeakPolarHBondContact OE1-CA 3.1Å; E156-S208 WeakPolarHBondContact OE1-CB 3.33Å; E156-S208 PolarHBondContact OE1-N 3.08Å; E156-A209 HydrophobicContact CG-CB 3.75Å; E156-A209 PolarHBondContact OE1-N 3.12Å
157	I	98.8	Very high	98.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-37.8	-178.7	-69.8	-56.5	0	0	0	111.9	K135 L138 A139 I142 A153 H154 A161	K135-I157 HydrophobicContact CB-CG2 3.79Å; L138-I157 HydrophobicContact CB-CD1 3.52Å; L138-I157 HydrophobicContact CB-CG1 3.81Å; L138-I157 HydrophobicContact CB-CG2 4.29Å; L138-I157 HydrophobicContact CD1-CD1 4.39Å; L138-I157 HydrophobicContact CD1-CG2 4.26Å; A139-I157 HydrophobicContact CB-CG1 4.24Å; I142-I157 HydrophobicContact CD1-CD1 3.38Å; I142-I157 HydrophobicContact CD1-CG1 3.8Å; I142-I157 HydrophobicContact CG1-CD1 4.33Å; A153-I157 WeakPolarHBondContact O-CG1 3.23Å; A153-I157 PolarHBondContact O-N 3.27Å; H154-I157 PolarHBondContact O-N 3.49Å; I157-A161 VanDerWaalsContact O-CB 3.25Å; I157-A161 WeakPolarHBondContact O-CB 3.43Å; I157-A161 PolarHBondContact O-N 3.26Å
158	L	98.8	Very high	98.7	Very high	69 Å²	69	32.8 Å²	32.8	36%	0.361	16%	0.159	S	C	.	.	H	α-helix	trans	-62.6	-51	172	-67.8	175.7	0	0	0	111.1	I132 H154 E156 S160 A161 F162	I132-L158 HydrophobicContact CD1-CD2 3.97Å; H154-L158 WeakPolarHBondContact O-CG 3.19Å; H154-L158 PolarHBondContact O-N 3.36Å; H154-L158 VanDerWaalsContact O-N 3.07Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.06Å; L158-S160 VanDerWaalsContact C-N 3.3Å; L158-S160 PolarHBondContact O-N 2.9Å; L158-A161 PolarHBondContact O-N 2.76Å; L158-F162 HydrophobicContact CB-CD2 4.48Å; L158-F162 HydrophobicContact CB-CE2 3.91Å; L158-F162 HydrophobicContact CB-CZ 4.18Å; L158-F162 HydrophobicContact CD2-CZ 4.44Å; L158-F162 WeakPolarHBondContact O-CB 3.48Å; L158-F162 WeakPolarHBondContact O-CD2 3.39Å; L158-F162 WeakPolarHBondContact O-CG 3.49Å; L158-F162 PolarHBondContact O-N 2.85Å
159	Y	98.8	Very high	98.7	Very high	44 Å²	44	36.2 Å²	36.2	17%	0.173	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-40.6	178.4	-166.1	-126.6	0	0	0	112.6	G155 E156 F162 F163 A209 S499 V500	G155-Y159 WeakPolarHBondContact O-CB 3.31Å; G155-Y159 PolarHBondContact O-N 3.43Å; E156-Y159 PolarHBondContact O-N 2.85Å; Y159-F162 PolarHBondContact O-N 3.3Å; Y159-F163 HydrophobicContact CD1-CD2 4.49Å; Y159-F163 AromaticContact CD1-CE2 3.77Å; Y159-F163 HydrophobicContact CD1-CE2 3.77Å; Y159-F163 HydrophobicContact CD2-CE2 4.41Å; Y159-F163 AromaticContact CE1-CE2 3.48Å; Y159-F163 HydrophobicContact CE1-CE2 3.48Å; Y159-F163 VanDerWaalsContact CE1-CE2 3.48Å; Y159-F163 AromaticContact CE1-CZ 3.97Å; Y159-F163 HydrophobicContact CE1-CZ 3.97Å; Y159-F163 HydrophobicContact CE2-CE2 4.16Å; Y159-F163 HydrophobicContact CE2-CZ 4.26Å; Y159-F163 HydrophobicContact CG-CE2 4.23Å; Y159-F163 AromaticContact CZ-CE2 3.69Å; Y159-F163 AromaticContact CZ-CZ 3.75Å; Y159-F163 WeakPolarHBondContact O-CD2 3.45Å; Y159-F163 PolarHBondContact O-N 3.37Å; Y159-A209 HydrophobicContact CD1-CB 4.1Å; Y159-S499 PolarHBondContact OH-N 3.45Å; Y159-S499 PolarHBondContact OH-O 2.95Å; Y159-V500 HydrophobicContact CD2-CG1 3.68Å; Y159-V500 HydrophobicContact CE2-CG1 3.61Å
160	S	98.9	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-42	176.8	-169.2	0	0	0	0	112.2	E156 L158 S208 A209 T212	E156-S160 WeakPolarHBondContact O-CB 3.42Å; E156-S160 PolarHBondContact O-N 3.45Å; L158-S160 VanDerWaalsContact C-N 3.3Å; L158-S160 PolarHBondContact O-N 2.9Å; S160-S208 WeakPolarHBondContact CB-OG 3.36Å; S160-S208 VanDerWaalsContact OG-C 3.24Å; S160-S208 PolarHBondContact OG-O 3.09Å; S160-S208 PolarHBondContact OG-OG 3.01Å; S160-A209 WeakPolarHBondContact OG-CA 3.26Å; S160-A209 PolarHBondContact OG-N 3.19Å; S160-T212 WeakPolarHBondContact CA-OG1 3.25Å; S160-T212 VanDerWaalsContact O-CB 3.22Å; S160-T212 WeakPolarHBondContact O-CB 3.37Å; S160-T212 PolarHBondContact O-OG1 2.76Å; S160-T212 VanDerWaalsContact O-OG1 3.08Å; S160-T212 WeakPolarHBondContact OG-CG2 3.15Å; S160-T212 PolarHBondContact OG-OG1 2.95Å
161	A	98.9	Very high	98.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-46.1	173.6	0	0	0	0	0	110.8	Y128 M131 I132 I157 L158 F163 L164 E165	Y128-A161 HydrophobicContact CD2-CB 3.75Å; Y128-A161 VanDerWaalsContact CD2-O 3.24Å; Y128-A161 WeakPolarHBondContact CD2-O 3.43Å; Y128-A161 HydrophobicContact CE2-CB 3.98Å; M131-A161 HydrophobicContact CB-CB 4.05Å; M131-A161 HydrophobicContact CE-CB 4.21Å; M131-A161 HydrophobicContact SD-CB 4.46Å; I132-A161 HydrophobicContact CD1-CB 3.65Å; I132-A161 HydrophobicContact CG1-CB 4.21Å; I157-A161 VanDerWaalsContact O-CB 3.25Å; I157-A161 WeakPolarHBondContact O-CB 3.43Å; I157-A161 PolarHBondContact O-N 3.26Å; L158-A161 PolarHBondContact O-N 2.76Å; A161-F163 PolarHBondContact O-N 3.18Å; A161-L164 WeakPolarHBondContact O-CA 3.38Å; A161-L164 WeakPolarHBondContact O-CB 3.45Å; A161-L164 PolarHBondContact O-N 3.17Å; A161-E165 PolarHBondContact O-N 3.27Å
162	F	98.9	Very high	98.8	Very high	78 Å²	78	33.7 Å²	33.7	34%	0.342	16%	0.158	S	C	.	.	H	α-helix	trans	-59.7	-28.6	179.4	-62.2	-32.5	0	0	0	113.2	Y128 L158 Y159 E165 W166 V500	Y128-F162 HydrophobicContact CE2-CD1 4.08Å; Y128-F162 HydrophobicContact CE2-CE1 4.48Å; L158-F162 HydrophobicContact CB-CD2 4.48Å; L158-F162 HydrophobicContact CB-CE2 3.91Å; L158-F162 HydrophobicContact CB-CZ 4.18Å; L158-F162 HydrophobicContact CD2-CZ 4.44Å; L158-F162 WeakPolarHBondContact O-CB 3.48Å; L158-F162 WeakPolarHBondContact O-CD2 3.39Å; L158-F162 WeakPolarHBondContact O-CG 3.49Å; L158-F162 PolarHBondContact O-N 2.85Å; Y159-F162 PolarHBondContact O-N 3.3Å; F162-E165 PolarHBondContact O-N 2.96Å; F162-W166 VanDerWaalsContact O-CB 3.23Å; F162-W166 WeakPolarHBondContact O-CB 3.42Å; F162-W166 PolarHBondContact O-N 3.21Å; F162-V500 HydrophobicContact CB-CG1 3.82Å; F162-V500 HydrophobicContact CB-CG2 4.11Å
163	F	98.9	Very high	98.8	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-38.2	170.2	-80.5	-62.2	0	0	0	113.6	Y159 A161 E165 F167 R213 V500	Y159-F163 HydrophobicContact CD1-CD2 4.49Å; Y159-F163 AromaticContact CD1-CE2 3.77Å; Y159-F163 HydrophobicContact CD1-CE2 3.77Å; Y159-F163 HydrophobicContact CD2-CE2 4.41Å; Y159-F163 AromaticContact CE1-CE2 3.48Å; Y159-F163 HydrophobicContact CE1-CE2 3.48Å; Y159-F163 VanDerWaalsContact CE1-CE2 3.48Å; Y159-F163 AromaticContact CE1-CZ 3.97Å; Y159-F163 HydrophobicContact CE1-CZ 3.97Å; Y159-F163 HydrophobicContact CE2-CE2 4.16Å; Y159-F163 HydrophobicContact CE2-CZ 4.26Å; Y159-F163 HydrophobicContact CG-CE2 4.23Å; Y159-F163 AromaticContact CZ-CE2 3.69Å; Y159-F163 AromaticContact CZ-CZ 3.75Å; Y159-F163 WeakPolarHBondContact O-CD2 3.45Å; Y159-F163 PolarHBondContact O-N 3.37Å; A161-F163 PolarHBondContact O-N 3.18Å; F163-E165 VanDerWaalsContact C-N 3.34Å; F163-F167 HydrophobicContact CD1-CD2 4.49Å; F163-F167 HydrophobicContact CD1-CE2 4.02Å; F163-F167 WeakPolarHBondContact O-CB 3.35Å; F163-F167 VanDerWaalsContact O-CD2 3.28Å; F163-F167 WeakPolarHBondContact O-CD2 3.19Å; F163-F167 PolarHBondContact O-N 2.97Å; F163-R213 HydrophobicContact CB-CB 4.28Å; F163-R213 HydrophobicContact CD1-CB 3.62Å; F163-R213 HydrophobicContact CD2-CB 3.59Å; F163-R213 HydrophobicContact CE1-CB 3.72Å; F163-R213 HydrophobicContact CE2-CB 3.67Å; F163-R213 HydrophobicContact CG-CB 3.56Å; F163-R213 HydrophobicContact CZ-CB 3.74Å; F163-V500 HydrophobicContact CD1-CB 3.79Å; F163-V500 HydrophobicContact CD1-CG1 3.82Å; F163-V500 HydrophobicContact CD2-CG1 3.95Å; F163-V500 HydrophobicContact CE1-CB 3.71Å; F163-V500 HydrophobicContact CE1-CG1 3.76Å; F163-V500 HydrophobicContact CE2-CG1 3.91Å; F163-V500 HydrophobicContact CG-CB 4.35Å; F163-V500 HydrophobicContact CG-CG1 3.9Å; F163-V500 HydrophobicContact CZ-CB 4.21Å; F163-V500 HydrophobicContact CZ-CG1 3.82Å
164	L	98.9	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-37.2	173.1	-63.2	-171.5	0	0	0	111.3	L124 W127 M131 A161 S168 T212	L124-L164 HydrophobicContact CD2-CD2 4.32Å; W127-L164 HydrophobicContact CB-CD1 4.1Å; W127-L164 HydrophobicContact CD2-CD1 3.57Å; W127-L164 HydrophobicContact CE3-CD1 3.95Å; W127-L164 HydrophobicContact CE3-CD2 4.24Å; W127-L164 HydrophobicContact CG-CD1 3.64Å; W127-L164 HydrophobicContact CZ3-CD2 4.35Å; M131-L164 HydrophobicContact SD-CD1 3.5Å; M131-L164 WeakPolarHBondContact SD-CD1 3.42Å; M131-L164 HydrophobicContact SD-CG 4.31Å; A161-L164 WeakPolarHBondContact O-CA 3.38Å; A161-L164 WeakPolarHBondContact O-CB 3.45Å; A161-L164 PolarHBondContact O-N 3.17Å; L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.45Å; L164-S168 PolarHBondContact O-N 3.39Å; L164-T212 HydrophobicContact CD1-CG2 4.18Å; L164-T212 HydrophobicContact CD2-CG2 4.03Å; L164-T212 HydrophobicContact CG-CG2 3.91Å
165	E	98.9	Very high	98.8	Very high	42 Å²	42	43.8 Å²	43.8	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-56.7	173.6	-174.1	163.7	-148.2	0	0	111.4	R125 Y128 A161 F162 F163 F167 S168 E169	R125-E165 IonicContact CZ-OE1 3.19Å; R125-E165 IonicContact NH1-OE1 2.68Å; R125-E165 PolarHBondContact NH1-OE1 3.04Å; R125-E165 VanDerWaalsContact NH2-CG 3.26Å; R125-E165 IonicContact NH2-OE1 2.79Å; R125-E165 PolarHBondContact NH2-OE1 2.83Å; Y128-E165 HydrophobicContact CD1-CB 4.31Å; Y128-E165 HydrophobicContact CD1-CG 4.43Å; Y128-E165 HydrophobicContact CD2-CB 3.71Å; Y128-E165 HydrophobicContact CE1-CB 4.45Å; Y128-E165 HydrophobicContact CE1-CG 4.28Å; Y128-E165 HydrophobicContact CE2-CB 3.83Å; Y128-E165 HydrophobicContact CE2-CG 4.33Å; Y128-E165 VanDerWaalsContact CE2-OE2 3.25Å; Y128-E165 WeakPolarHBondContact CE2-OE2 3.49Å; Y128-E165 HydrophobicContact CG-CB 3.92Å; Y128-E165 VanDerWaalsContact OH-CD 3.26Å; Y128-E165 PolarHBondContact OH-OE1 3.33Å; Y128-E165 PolarHBondContact OH-OE2 3.2Å; A161-E165 PolarHBondContact O-N 3.27Å; F162-E165 PolarHBondContact O-N 2.96Å; F163-E165 VanDerWaalsContact C-N 3.34Å; E165-F167 PolarHBondContact O-N 2.81Å; E165-S168 VanDerWaalsContact O-CB 3.3Å; E165-S168 WeakPolarHBondContact O-CB 3.32Å; E165-S168 PolarHBondContact O-N 3.49Å; E165-S168 VanDerWaalsContact O-N 3.13Å; E165-S168 PolarHBondContact O-OG 3.41Å; E165-E169 PolarHBondContact O-N 3.15Å
166	W	98.9	Very high	98.8	Very high	71 Å²	71	44 Å²	44	27%	0.269	20%	0.2	S	C	.	.	H	α-helix	trans	-54.1	-52.4	179.1	177.8	-97.6	0	0	0	112.3	F162 S168 E169 E170 V500 E501 S517	F162-W166 VanDerWaalsContact O-CB 3.23Å; F162-W166 WeakPolarHBondContact O-CB 3.42Å; F162-W166 PolarHBondContact O-N 3.21Å; W166-S168 VanDerWaalsContact C-N 3.31Å; W166-S168 PolarHBondContact O-N 3.01Å; W166-E169 WeakPolarHBondContact O-CA 3.31Å; W166-E169 WeakPolarHBondContact O-CB 3.25Å; W166-E169 PolarHBondContact O-N 2.83Å; W166-E170 HydrophobicContact CZ2-CG 4.21Å; W166-E170 PolarHBondContact O-N 2.82Å; W166-V500 HydrophobicContact CB-CG2 4.09Å; W166-V500 HydrophobicContact CG-CG2 4.41Å; W166-E501 HydrophobicContact CD2-CB 4.39Å; W166-E501 HydrophobicContact CE3-CB 3.9Å; W166-E501 HydrophobicContact CH2-CB 3.56Å; W166-E501 HydrophobicContact CZ2-CB 4.08Å; W166-E501 HydrophobicContact CZ3-CB 3.45Å; W166-E501 VanDerWaalsContact CZ3-CB 3.45Å; W166-S517 PolarHBondContact NE1-O 3.05Å
167	F	98.9	Very high	98.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74	-20.2	-179.8	-71.5	-60.9	0	0	0	113.5	F163 E165 E169 E170 A171 R213 A217 A220 I521	F163-F167 HydrophobicContact CD1-CD2 4.49Å; F163-F167 HydrophobicContact CD1-CE2 4.02Å; F163-F167 WeakPolarHBondContact O-CB 3.35Å; F163-F167 VanDerWaalsContact O-CD2 3.28Å; F163-F167 WeakPolarHBondContact O-CD2 3.19Å; F163-F167 PolarHBondContact O-N 2.97Å; E165-F167 PolarHBondContact O-N 2.81Å; F167-E169 PolarHBondContact O-N 3.21Å; F167-E170 HydrophobicContact CD1-CB 4.17Å; F167-E170 HydrophobicContact CD1-CG 4.48Å; F167-A171 WeakPolarHBondContact O-CB 3.32Å; F167-A171 PolarHBondContact O-N 3.38Å; F167-R213 WeakPolarHBondContact CE2-O 3.47Å; F167-A217 HydrophobicContact CD1-CB 3.91Å; F167-A217 HydrophobicContact CD2-CB 4.04Å; F167-A217 HydrophobicContact CE1-CB 3.78Å; F167-A217 HydrophobicContact CE2-CB 3.9Å; F167-A217 HydrophobicContact CG-CB 4.06Å; F167-A217 HydrophobicContact CZ-CB 3.78Å; F167-A220 HydrophobicContact CB-CB 4.05Å; F167-A220 WeakPolarHBondContact O-CB 3.2Å; F167-I521 HydrophobicContact CE1-CB 4.45Å
168	S	98.9	Very high	98.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-28.6	165.5	86.8	0	0	0	0	112	S121 L164 E165 W166	S121-S168 WeakPolarHBondContact CA-O 3.33Å; S121-S168 WeakPolarHBondContact CB-O 3.15Å; S121-S168 WeakPolarHBondContact O-CB 3.25Å; S121-S168 PolarHBondContact OG-O 3.13Å; L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.45Å; L164-S168 PolarHBondContact O-N 3.39Å; E165-S168 VanDerWaalsContact O-CB 3.3Å; E165-S168 WeakPolarHBondContact O-CB 3.32Å; E165-S168 PolarHBondContact O-N 3.49Å; E165-S168 VanDerWaalsContact O-N 3.13Å; E165-S168 PolarHBondContact O-OG 3.41Å; W166-S168 VanDerWaalsContact C-N 3.31Å; W166-S168 PolarHBondContact O-N 3.01Å
169	E	98.9	Very high	98.8	Very high	73 Å²	73	55.4 Å²	55.4	34%	0.341	26%	0.259	S	S	.	.	H	α-helix	trans	-89.8	-40.8	-178.1	-68.2	-156.1	-160.1	0	0	112.4	R125 E165 W166 F167 A171 R172 R173	R125-E169 IonicContact CZ-OE1 3.15Å; R125-E169 IonicContact NH2-OE1 2.77Å; R125-E169 PolarHBondContact NH2-OE1 2.85Å; E165-E169 PolarHBondContact O-N 3.15Å; W166-E169 WeakPolarHBondContact O-CA 3.31Å; W166-E169 WeakPolarHBondContact O-CB 3.25Å; W166-E169 PolarHBondContact O-N 2.83Å; F167-E169 PolarHBondContact O-N 3.21Å; E169-A171 PolarHBondContact O-N 3.34Å; E169-R172 PolarHBondContact O-N 3.27Å; E169-R173 VanDerWaalsContact C-NH1 3.31Å; E169-R173 PolarHBondContact O-NH1 3Å; E169-R173 IonicContact OE2-NH1 2.71Å; E169-R173 IonicContact OE2-NH2 3.79Å
170	E	98.9	Very high	98.8	Very high	22 Å²	22	62.6 Å²	62.6	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-25.2	173.7	-68.6	-58.4	90	0	0	113	W166 F167 R172 R173 K518 I521	W166-E170 HydrophobicContact CZ2-CG 4.21Å; W166-E170 PolarHBondContact O-N 2.82Å; F167-E170 HydrophobicContact CD1-CB 4.17Å; F167-E170 HydrophobicContact CD1-CG 4.48Å; E170-R172 PolarHBondContact O-N 3.26Å; E170-R173 PolarHBondContact O-N 2.74Å; E170-R173 WeakPolarHBondContact OE1-CD 3.28Å; E170-K518 WeakPolarHBondContact OE2-CA 3.39Å; E170-K518 WeakPolarHBondContact OE2-CB 3.28Å; E170-I521 HydrophobicContact CB-CD1 4.09Å
171	A	98.9	Very high	98.7	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.017	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-28.2	173.1	0	0	0	0	0	113.8	A117 F167 E169 A220	A117-A171 VanDerWaalsContact CB-O 3.26Å; A117-A171 WeakPolarHBondContact CB-O 3.36Å; F167-A171 WeakPolarHBondContact O-CB 3.32Å; F167-A171 PolarHBondContact O-N 3.38Å; E169-A171 PolarHBondContact O-N 3.34Å; A171-A220 HydrophobicContact CB-CB 3.71Å
172	R	98.8	Very high	98.7	Very high	152 Å²	152	69.8 Å²	69.8	57%	0.574	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	0.4	-178.7	-63.4	179.5	62.4	-154.3	-7.3	114.3	A117 E169 E170	A117-R172 HydrophobicContact CB-CG 4.4Å; E169-R172 PolarHBondContact O-N 3.27Å; E170-R172 PolarHBondContact O-N 3.26Å
173	R	98.8	Very high	98.6	Very high	112 Å²	112	67.9 Å²	67.9	42%	0.423	33%	0.332	S	S	.	.			trans	-117.1	14.9	-174	-64.2	177.9	173.6	97.2	-21.2	113.2	E169 E170 Y175	E169-R173 VanDerWaalsContact C-NH1 3.31Å; E169-R173 PolarHBondContact O-NH1 3Å; E169-R173 IonicContact OE2-NH1 2.71Å; E169-R173 IonicContact OE2-NH2 3.79Å; E170-R173 PolarHBondContact O-N 2.74Å; E170-R173 WeakPolarHBondContact OE1-CD 3.28Å; R173-Y175 VanDerWaalsContact C-N 3.29Å; R173-Y175 HydrophobicContact CB-CE2 3.95Å; R173-Y175 HydrophobicContact CG-CE2 4.43Å; R173-Y175 WeakPolarHBondContact O-CD2 3.5Å; R173-Y175 WeakPolarHBondContact O-CE2 3.28Å; R173-Y175 PolarHBondContact O-N 2.9Å
174	V	98.8	Very high	98.6	Very high	45 Å²	45	76.1 Å²	76.1	27%	0.273	37%	0.368	S	S	.	.			trans	-71.3	83.3	170.6	179.9	0	0	0	0	109.6	K192 I521 L525	V174-K192 HydrophobicContact CG1-CB 3.6Å; V174-K192 HydrophobicContact CG1-CD 4.18Å; V174-K192 HydrophobicContact CG1-CG 4.43Å; V174-I521 HydrophobicContact CG2-CD1 3.58Å; V174-I521 HydrophobicContact CG2-CG1 4.29Å; V174-L525 HydrophobicContact CB-CD1 4.5Å; V174-L525 HydrophobicContact CG1-CD1 3.65Å; V174-L525 HydrophobicContact CG1-CD2 4.01Å; V174-L525 HydrophobicContact CG2-CD1 4.04Å
175	Y	98.8	Very high	98.5	Very high	163 Å²	163	79.2 Å²	79.2	64%	0.639	39%	0.385	S	S	*	.			trans	-84.2	152.3	177.4	-54.6	-58.8	0	0	0	112.1	R173 K192	R173-Y175 VanDerWaalsContact C-N 3.29Å; R173-Y175 HydrophobicContact CB-CE2 3.95Å; R173-Y175 HydrophobicContact CG-CE2 4.43Å; R173-Y175 WeakPolarHBondContact O-CD2 3.5Å; R173-Y175 WeakPolarHBondContact O-CE2 3.28Å; R173-Y175 PolarHBondContact O-N 2.9Å; Y175-K192 VanDerWaalsContact O-CD 3.26Å; Y175-K192 WeakPolarHBondContact O-CD 3.48Å; Y175-K192 WeakPolarHBondContact O-CE 3.25Å; Y175-K192 WeakPolarHBondContact O-CG 3.43Å
176	G	98.6	Very high	98.4	Very high	44 Å²	44	81.5 Å²	81.5	45%	0.454	39%	0.391	S	S	.	.			trans	-118.7	175	166.4	0	0	0	0	0	110.6	V190	G176-V190 CarbonylContact C-O 3.53Å; G176-V190 WeakPolarHBondContact CA-O 3.32Å
177	D	98.8	Very high	98.4	Very high	84 Å²	84	83.6 Å²	83.6	45%	0.449	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.3	-166.2	-48.2	-85.6	0	0	0	112.6	I179 L189 V190	D177-I179 HydrophobicContact CB-CD1 4.5Å; D177-I179 HydrophobicContact CB-CG1 4.22Å; D177-L189 CarbonylContact O-C 3.6Å; D177-L189 WeakPolarHBondContact O-CA 3.43Å; D177-V190 HydrophobicContact CB-CB 4Å; D177-V190 HydrophobicContact CB-CG2 4.21Å; D177-V190 PolarHBondContact N-O 3.26Å; D177-V190 PolarHBondContact O-N 2.86Å
178	I	98.8	Very high	98.4	Very high	143 Å²	143	83.8 Å²	83.8	73%	0.733	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	117.7	166.4	-55.7	-175	0	0	0	107.2	L189	I178-L189 HydrophobicContact CB-CD2 4.39Å; I178-L189 HydrophobicContact CD1-CD2 4.23Å; I178-L189 HydrophobicContact CG1-CD2 3.84Å; I178-L189 HydrophobicContact CG2-CD2 4.1Å
179	I	98.8	Very high	98.4	Very high	88 Å²	88	86.1 Å²	86.1	45%	0.451	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.7	-170.7	-56.6	174.9	0	0	0	109.1	D177 A188 V190	D177-I179 HydrophobicContact CB-CD1 4.5Å; D177-I179 HydrophobicContact CB-CG1 4.22Å; I179-A188 HydrophobicContact CB-CB 3.96Å; I179-A188 PolarHBondContact N-O 2.85Å; I179-V190 HydrophobicContact CD1-CG2 3.8Å
180	Y	98.1	Very high	98.4	Very high	194 Å²	194	83.5 Å²	83.5	76%	0.761	40%	0.402	S	S	*	.			trans	-76.9	135.2	175	-171.9	-101.9	0	0	0	110.9
181	T	97.4	Very high	98.4	Very high	24 Å²	24	86.2 Å²	86.2	15%	0.147	42%	0.417	C	S	.	.			trans	-117.7	144	-179.9	51.3	0	0	0	0	111.2	A183 A188	T181-A183 PolarHBondContact O-N 2.86Å; T181-A183 PolarHBondContact OG1-O 3.41Å; T181-A183 VanDerWaalsContact OG1-O 3.13Å; T181-A188 HydrophobicContact CG2-CB 3.71Å
182	P	97.9	Very high	98.4	Very high	127 Å²	127	89.1 Å²	89.1	83%	0.825	43%	0.429	S	S	*	.	S	Bend	trans	-59.6	-29.6	175.7	-25.3	34.7	0	0	0	114
183	A	97.6	Very high	98.4	Very high	39 Å²	39	84.7 Å²	84.7	32%	0.322	42%	0.415	S	S	.	.			trans	-75.9	124.3	174.1	0	0	0	0	0	110.5	T181 D185 R186	T181-A183 PolarHBondContact O-N 2.86Å; T181-A183 PolarHBondContact OG1-O 3.41Å; T181-A183 VanDerWaalsContact OG1-O 3.13Å; A183-D185 WeakPolarHBondContact CB-OD1 3.35Å; A183-R186 HydrophobicContact CB-CG 4.05Å
184	K	97.6	Very high	98.4	Very high	174 Å²	174	80.5 Å²	80.5	76%	0.757	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-26.1	-171.1	-60.8	-179.5	-178.9	179.1	0	113.7	R186 R187	K184-R186 PolarHBondContact O-N 3.3Å; K184-R187 PolarHBondContact O-NH1 3.42Å
185	D	97.5	Very high	98.4	Very high	64 Å²	64	79.3 Å²	79.3	34%	0.342	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	3.9	-175.1	69.7	-36.5	0	0	0	114.6	A183 G533 G534 L535	A183-D185 WeakPolarHBondContact CB-OD1 3.35Å; D185-G533 CarbonylContact O-C 3.59Å; D185-G533 WeakPolarHBondContact O-CA 3.49Å; D185-G534 PolarHBondContact O-N 3.03Å; D185-L535 WeakPolarHBondContact CA-O 3.42Å; D185-L535 PolarHBondContact O-N 2.81Å; D185-L535 VanDerWaalsContact O-N 3.11Å
186	R	97.6	Very high	98.4	Very high	90 Å²	90	71.7 Å²	71.7	34%	0.34	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	163.6	-171.4	67.3	-166.4	68.8	-156.6	-4	113.8	A183 K184 Y532	A183-R186 HydrophobicContact CB-CG 4.05Å; K184-R186 PolarHBondContact O-N 3.3Å; R186-Y532 CarbonylContact C-O 3.55Å; R186-Y532 WeakPolarHBondContact CA-O 3.32Å; R186-Y532 WeakPolarHBondContact CB-O 3.39Å
187	R	98.1	Very high	98.4	Very high	115 Å²	115	69.6 Å²	69.6	43%	0.434	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.4	166.4	-55.9	-63	174	-90.3	-7.5	109.6	K184 Y532 L535	K184-R187 PolarHBondContact O-NH1 3.42Å; R187-Y532 PolarHBondContact N-O 3.38Å; R187-Y532 PolarHBondContact O-N 3.06Å; R187-L535 HydrophobicContact CG-CD1 3.7Å
188	A	98.7	Very high	98.4	Very high	4 Å²	4	65.6 Å²	65.6	3%	0.033	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.3	171.5	0	0	0	0	0	110	I179 T181 Y529	I179-A188 HydrophobicContact CB-CB 3.96Å; I179-A188 PolarHBondContact N-O 2.85Å; T181-A188 HydrophobicContact CG2-CB 3.71Å; A188-Y529 HydrophobicContact CB-CD2 4.42Å; A188-Y529 HydrophobicContact CB-CE2 3.62Å
189	L	98.8	Very high	98.4	Very high	50 Å²	50	58.8 Å²	58.8	26%	0.262	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.7	172.1	-48.7	173.5	0	0	0	108.7	D177 I178 Y529 V530	D177-L189 CarbonylContact O-C 3.6Å; D177-L189 WeakPolarHBondContact O-CA 3.43Å; I178-L189 HydrophobicContact CB-CD2 4.39Å; I178-L189 HydrophobicContact CD1-CD2 4.23Å; I178-L189 HydrophobicContact CG1-CD2 3.84Å; I178-L189 HydrophobicContact CG2-CD2 4.1Å; L189-Y529 CarbonylContact O-C 3.52Å; L189-Y529 WeakPolarHBondContact O-CA 3.46Å; L189-V530 HydrophobicContact CB-CB 4.31Å; L189-V530 PolarHBondContact N-O 3.37Å; L189-V530 PolarHBondContact O-N 3.42Å
190	V	98.9	Very high	98.4	Very high	18 Å²	18	54.6 Å²	54.6	11%	0.109	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.2	169.4	-175.3	0	0	0	0	108.4	G176 D177 I179 L527 K528	G176-V190 CarbonylContact C-O 3.53Å; G176-V190 WeakPolarHBondContact CA-O 3.32Å; D177-V190 HydrophobicContact CB-CB 4Å; D177-V190 HydrophobicContact CB-CG2 4.21Å; D177-V190 PolarHBondContact N-O 3.26Å; D177-V190 PolarHBondContact O-N 2.86Å; I179-V190 HydrophobicContact CD1-CG2 3.8Å; V190-L527 HydrophobicContact CG1-CB 4.28Å; V190-L527 HydrophobicContact CG1-CD2 4.48Å; V190-K528 WeakPolarHBondContact CA-O 3.45Å
191	L	98.8	Very high	98.5	Very high	79 Å²	79	46.1 Å²	46.1	41%	0.414	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.7	175.4	-53.1	178.7	0	0	0	109.6	L527 K528 V530	L191-L527 CarbonylContact O-C 3.42Å; L191-K528 HydrophobicContact CB-CB 4.39Å; L191-K528 PolarHBondContact N-O 3.37Å; L191-K528 PolarHBondContact O-N 3.27Å; L191-V530 HydrophobicContact CD1-CG2 4.06Å; L191-V530 HydrophobicContact CG-CG2 4.36Å
192	K	98.9	Very high	98.5	Very high	62 Å²	62	45.3 Å²	45.3	27%	0.27	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.3	166.4	-61.9	-162.2	-179.4	-173	0	109.8	V174 Y175 D522 L525 E526 L527	V174-K192 HydrophobicContact CG1-CB 3.6Å; V174-K192 HydrophobicContact CG1-CD 4.18Å; V174-K192 HydrophobicContact CG1-CG 4.43Å; Y175-K192 VanDerWaalsContact O-CD 3.26Å; Y175-K192 WeakPolarHBondContact O-CD 3.48Å; Y175-K192 WeakPolarHBondContact O-CE 3.25Å; Y175-K192 WeakPolarHBondContact O-CG 3.43Å; K192-D522 IonicContact NZ-OD1 3.18Å; K192-D522 PolarHBondContact NZ-OD1 3.39Å; K192-D522 IonicContact NZ-OD2 3.34Å; K192-L525 HydrophobicContact CB-CD1 4.32Å; K192-L525 HydrophobicContact CB-CD2 4.43Å; K192-L525 HydrophobicContact CD-CD1 4.01Å; K192-E526 WeakPolarHBondContact CA-O 3.32Å; K192-L527 HydrophobicContact CD-CD2 4.14Å; K192-L527 HydrophobicContact CG-CD2 3.75Å
193	Q	98.9	Very high	98.6	Very high	60 Å²	60	40.1 Å²	40.1	28%	0.28	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.8	179.7	-56.7	-160.9	-81.2	0	0	111.5	L525 E526	Q193-L525 CarbonylContact O-C 3.56Å; Q193-L525 WeakPolarHBondContact O-CA 3.42Å; Q193-E526 PolarHBondContact N-O 2.85Å; Q193-E526 PolarHBondContact O-N 3.46Å
194	P	98.9	Very high	98.6	Very high	23 Å²	23	40.3 Å²	40.3	15%	0.149	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	139.2	-179.8	23.5	-33.2	0	0	0	113.2	F109 R113 A221 C223 Y524	F109-P194 HydrophobicContact CE2-CB 4.07Å; F109-P194 HydrophobicContact CE2-CG 4Å; F109-P194 HydrophobicContact CZ-CG 4.5Å; R113-P194 HydrophobicContact CB-CG 4.19Å; P194-A221 WeakPolarHBondContact CB-O 3.4Å; P194-C223 VanDerWaalsContact CB-SG 3.57Å; P194-Y524 WeakPolarHBondContact CA-O 3.29Å
195	I	98.8	Very high	98.6	Very high	21 Å²	21	32.2 Å²	32.2	11%	0.108	15%	0.152	C	C	.	.			trans	-62.1	-41.3	-177.3	-68.6	167.6	0	0	0	113	C223 S278 K279 R302 E523 Y524 E526	I195-C223 PolarHBondContact N-SG 3.37Å; I195-C223 VanDerWaalsContact N-SG 3.41Å; I195-S278 VanDerWaalsContact CG2-CB 3.42Å; I195-K279 HydrophobicContact CD1-CD 4.37Å; I195-K279 HydrophobicContact CG2-CB 4.05Å; I195-R302 HydrophobicContact CD1-CB 4.15Å; I195-R302 HydrophobicContact CD1-CG 4.05Å; I195-E523 VanDerWaalsContact CD1-O 3.26Å; I195-E523 WeakPolarHBondContact CD1-O 3.4Å; I195-Y524 VanDerWaalsContact CD1-C 3.41Å; I195-Y524 WeakPolarHBondContact CG1-O 3.45Å; I195-Y524 PolarHBondContact N-O 2.79Å; I195-E526 HydrophobicContact CG1-CG 3.95Å
196	G	98.8	Very high	98.6	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	14%	0.142	C	C	.	.			trans	144.9	-136.3	-175.9	0	0	0	0	0	114.2	C223 T224	G196-C223 VanDerWaalsContact O-CA 3.27Å; G196-C223 WeakPolarHBondContact O-CA 3.33Å; G196-C223 WeakPolarHBondContact O-CB 3.42Å; G196-C223 PolarHBondContact O-SG 3.42Å; G196-T224 PolarHBondContact O-N 2.9Å
197	V	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.2	168.9	-176.3	0	0	0	0	109.4	A105 Y106 F109 V226 L276 V277 S278 K279	A105-V197 HydrophobicContact CB-CG1 3.64Å; A105-V197 HydrophobicContact CB-CG2 4.12Å; Y106-V197 HydrophobicContact CD2-CG2 4.12Å; F109-V197 HydrophobicContact CB-CG2 4.43Å; V197-V226 HydrophobicContact CG1-CG2 4.35Å; V197-L276 WeakPolarHBondContact CB-O 3.44Å; V197-V277 HydrophobicContact CG1-CG2 4.21Å; V197-S278 PolarHBondContact O-N 3.24Å; V197-K279 PolarHBondContact O-N 3.13Å
198	A	98.9	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.5	172.3	0	0	0	0	0	111.8	T224 V225 V226 K279 Y524	A198-T224 PolarHBondContact N-O 2.88Å; A198-V225 HydrophobicContact CB-CG1 4.4Å; A198-V225 WeakPolarHBondContact O-CA 3.42Å; A198-V226 PolarHBondContact O-N 2.72Å; A198-K279 CarbonylContact C-O 3.55Å; A198-K279 VanDerWaalsContact CA-O 3.28Å; A198-K279 WeakPolarHBondContact CA-O 3.42Å; A198-K279 HydrophobicContact CB-CB 3.88Å; A198-K279 HydrophobicContact CB-CG 3.94Å; A198-Y524 HydrophobicContact CB-CD1 4.38Å; A198-Y524 HydrophobicContact CB-CE1 4.06Å
199	A	98.9	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.7	163	0	0	0	0	0	109	I271 V277 K279 I280 S281	A199-I271 HydrophobicContact CB-CB 4.05Å; A199-I271 HydrophobicContact CB-CD1 4.06Å; A199-I271 HydrophobicContact CB-CG1 3.88Å; A199-V277 HydrophobicContact CB-CG1 3.85Å; A199-K279 PolarHBondContact N-O 3.08Å; A199-I280 HydrophobicContact CB-CG1 4.32Å; A199-I280 CarbonylContact O-C 3.59Å; A199-I280 WeakPolarHBondContact O-CA 3.49Å; A199-S281 PolarHBondContact O-N 3.11Å
200	V	98.9	Very high	98.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.8	-177.7	172.6	0	0	0	0	108.5	T202 K214 V215 V225 V226 V227 K228 S281	V200-T202 HydrophobicContact CG1-CG2 4.1Å; V200-K214 HydrophobicContact CG1-CB 4.13Å; V200-K214 HydrophobicContact CG1-CD 3.79Å; V200-V215 HydrophobicContact CG1-CG2 4.42Å; V200-V225 HydrophobicContact CG2-CB 4.14Å; V200-V225 HydrophobicContact CG2-CG1 4.03Å; V200-V226 PolarHBondContact N-O 2.69Å; V200-V227 HydrophobicContact CB-CG2 4.1Å; V200-V227 HydrophobicContact CG1-CG1 4.36Å; V200-V227 HydrophobicContact CG1-CG2 4.15Å; V200-V227 CarbonylContact O-C 3.44Å; V200-V227 VanDerWaalsContact O-CA 3.29Å; V200-V227 WeakPolarHBondContact O-CA 3.42Å; V200-K228 PolarHBondContact O-N 3.06Å; V200-S281 WeakPolarHBondContact CA-O 3.39Å
201	I	98.9	Very high	98.7	Very high	16 Å²	16	18.3 Å²	18.3	8%	0.082	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.1	-178	-54.2	-179.3	0	0	0	108.7	K228 I271 S281 F282 T283 L292	I201-K228 WeakPolarHBondContact CA-O 3.37Å; I201-K228 HydrophobicContact CG1-CB 4.19Å; I201-I271 HydrophobicContact CD1-CD1 4.05Å; I201-I271 HydrophobicContact CD1-CG1 4.37Å; I201-I271 HydrophobicContact CG1-CD1 3.99Å; I201-S281 PolarHBondContact N-O 2.81Å; I201-F282 HydrophobicContact CB-CD2 3.83Å; I201-F282 HydrophobicContact CG2-CD2 3.72Å; I201-F282 HydrophobicContact CG2-CE2 4.09Å; I201-F282 WeakPolarHBondContact O-CA 3.49Å; I201-T283 PolarHBondContact O-N 2.66Å; I201-L292 HydrophobicContact CD1-CD1 3.98Å; I201-L292 HydrophobicContact CD1-CD2 4.13Å
202	T	98.8	Very high	98.7	Very high	7 Å²	7	14.6 Å²	14.6	4%	0.043	7%	0.072	C	C	.	.			trans	-123.4	151.1	-170	51.2	0	0	0	0	114	V200 M210 I211 K214 K228 A230	V200-T202 HydrophobicContact CG1-CG2 4.1Å; T202-M210 HydrophobicContact CG2-CB 3.84Å; T202-M210 WeakPolarHBondContact CG2-O 3.26Å; T202-I211 HydrophobicContact CG2-CG1 3.84Å; T202-K214 HydrophobicContact CG2-CD 4.01Å; T202-K228 PolarHBondContact N-O 3.1Å; T202-A230 PolarHBondContact O-N 3.12Å; T202-A230 VanDerWaalsContact O-N 3.15Å
203	P	98.4	Very high	98.7	Very high	19 Å²	19	12 Å²	12	12%	0.123	6%	0.06	C	C	.	.			trans	-84.6	175	176.9	39.2	-38.7	0	0	0	111.3	N205 M210 T283	P203-N205 VanDerWaalsContact CG-OD1 3.24Å; P203-N205 WeakPolarHBondContact CG-OD1 3.3Å; P203-M210 HydrophobicContact CG-CB 4.48Å; P203-M210 HydrophobicContact CG-CG 3.79Å; P203-M210 HydrophobicContact CG-SD 3.65Å; P203-T283 VanDerWaalsContact CD-O 3.3Å; P203-T283 WeakPolarHBondContact CD-O 3.27Å; P203-T283 HydrophobicContact CG-CG2 3.95Å
204	W	98.4	Very high	98.7	Very high	43 Å²	43	9.2 Å²	9.2	16%	0.163	5%	0.047	C	C	.	.	S	Bend	trans	-86	-14	-179.4	54.2	-99.6	0	0	0	115.1	F206 P207 A230 D232 T233 Q338 I384 F440	W204-F206 PolarHBondContact O-N 2.71Å; W204-P207 WeakPolarHBondContact O-CD 3.32Å; W204-A230 HydrophobicContact CB-CB 3.71Å; W204-D232 HydrophobicContact CB-CB 4.33Å; W204-T233 WeakPolarHBondContact CA-OG1 3.48Å; W204-T233 HydrophobicContact CB-CG2 3.69Å; W204-T233 VanDerWaalsContact CB-OG1 3.27Å; W204-T233 WeakPolarHBondContact CB-OG1 3.01Å; W204-Q338 HydrophobicContact CH2-CB 3.6Å; W204-Q338 HydrophobicContact CH2-CG 3.85Å; W204-Q338 VanDerWaalsContact CH2-OE1 3.25Å; W204-Q338 HydrophobicContact CZ3-CB 3.85Å; W204-Q338 HydrophobicContact CZ3-CG 4.29Å; W204-I384 HydrophobicContact CD2-CB 4.11Å; W204-I384 HydrophobicContact CD2-CD1 4.26Å; W204-I384 HydrophobicContact CD2-CG1 3.79Å; W204-I384 HydrophobicContact CD2-CG2 4.21Å; W204-I384 HydrophobicContact CE3-CB 3.84Å; W204-I384 HydrophobicContact CE3-CD1 3.91Å; W204-I384 HydrophobicContact CE3-CG1 3.77Å; W204-I384 HydrophobicContact CE3-CG2 4.31Å; W204-I384 HydrophobicContact CG-CG1 4.2Å; W204-I384 HydrophobicContact CH2-CB 3.77Å; W204-I384 HydrophobicContact CH2-CG2 3.56Å; W204-I384 HydrophobicContact CZ2-CB 4.06Å; W204-I384 HydrophobicContact CZ2-CG2 3.45Å; W204-I384 VanDerWaalsContact CZ2-CG2 3.45Å; W204-I384 HydrophobicContact CZ3-CB 3.67Å; W204-I384 HydrophobicContact CZ3-CD1 4.46Å; W204-I384 HydrophobicContact CZ3-CG1 4.16Å; W204-I384 HydrophobicContact CZ3-CG2 4.01Å; W204-F440 HydrophobicContact CH2-CD1 4.14Å; W204-F440 HydrophobicContact CZ2-CD1 4.01Å
205	N	97.3	Very high	98.7	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.016	4%	0.04	C	C	.	.	S	Bend	trans	-70.9	-31.2	-168.4	63.5	-8.9	0	0	0	114	K148 P203 N335 Q338 F440	K148-N205 PolarHBondContact NZ-O 2.82Å; P203-N205 VanDerWaalsContact CG-OD1 3.24Å; P203-N205 WeakPolarHBondContact CG-OD1 3.3Å; N205-N335 PolarHBondContact O-ND2 3.38Å; N205-Q338 VanDerWaalsContact CB-O 3.27Å; N205-Q338 WeakPolarHBondContact CB-O 3.41Å; N205-F440 HydrophobicContact CB-CE1 4.44Å
206	F	98.4	Very high	98.7	Very high	33 Å²	33	7.1 Å²	7.1	15%	0.145	4%	0.035	C	C	.	.	S	Bend	trans	-136.4	78.1	169	-67.9	-91.8	0	0	0	108.8	E156 W204 S208 A209 M210 T339	E156-F206 HydrophobicContact CB-CD1 4.21Å; E156-F206 HydrophobicContact CG-CB 4.41Å; E156-F206 HydrophobicContact CG-CD1 3.86Å; E156-F206 WeakPolarHBondContact OE1-CA 3.48Å; E156-F206 WeakPolarHBondContact OE1-CB 3.03Å; E156-F206 WeakPolarHBondContact OE2-CA 3.27Å; E156-F206 WeakPolarHBondContact OE2-CD1 3.45Å; W204-F206 PolarHBondContact O-N 2.71Å; F206-S208 PolarHBondContact O-N 2.85Å; F206-S208 VanDerWaalsContact O-N 3.11Å; F206-A209 HydrophobicContact CB-CB 4.32Å; F206-A209 PolarHBondContact O-N 3.07Å; F206-M210 HydrophobicContact CB-CE 4.09Å; F206-M210 HydrophobicContact CB-CG 3.86Å; F206-M210 HydrophobicContact CD2-CE 3.93Å; F206-M210 HydrophobicContact CG-CE 4.4Å; F206-M210 WeakPolarHBondContact O-CB 3.08Å; F206-M210 WeakPolarHBondContact O-CG 3.3Å; F206-M210 PolarHBondContact O-N 2.96Å; F206-T339 HydrophobicContact CE2-CG2 3.5Å; F206-T339 HydrophobicContact CZ-CG2 3.7Å
207	P	98.8	Very high	98.7	Very high	2 Å²	2	7 Å²	7	1%	0.013	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.3	-163.8	32.4	-36.4	0	0	0	114	I142 E156 W204 I211 T233 S236	I142-P207 HydrophobicContact CG1-CG 4.18Å; I142-P207 HydrophobicContact CG2-CG 4.37Å; E156-P207 WeakPolarHBondContact OE1-CD 3.38Å; E156-P207 VanDerWaalsContact OE1-N 3.12Å; W204-P207 WeakPolarHBondContact O-CD 3.32Å; P207-I211 VanDerWaalsContact O-CD1 3.24Å; P207-I211 WeakPolarHBondContact O-CD1 3.26Å; P207-T233 WeakPolarHBondContact CB-OG1 3.37Å; P207-S236 WeakPolarHBondContact O-CB 3.24Å
208	S	98.9	Very high	98.7	Very high	2 Å²	2	7 Å²	7	1%	0.014	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-55.2	168.2	-170.6	0	0	0	0	111.5	E156 S160 F206 M210 I211 T212	E156-S208 WeakPolarHBondContact OE1-CA 3.1Å; E156-S208 WeakPolarHBondContact OE1-CB 3.33Å; E156-S208 PolarHBondContact OE1-N 3.08Å; S160-S208 WeakPolarHBondContact CB-OG 3.36Å; S160-S208 VanDerWaalsContact OG-C 3.24Å; S160-S208 PolarHBondContact OG-O 3.09Å; S160-S208 PolarHBondContact OG-OG 3.01Å; F206-S208 PolarHBondContact O-N 2.85Å; F206-S208 VanDerWaalsContact O-N 3.11Å; S208-M210 VanDerWaalsContact C-N 3.29Å; S208-M210 PolarHBondContact O-N 3.29Å; S208-I211 WeakPolarHBondContact O-CB 3.4Å; S208-I211 PolarHBondContact O-N 2.94Å; S208-T212 PolarHBondContact O-N 2.71Å; S208-T212 PolarHBondContact O-OG1 3.19Å
209	A	98.8	Very high	98.7	Very high	3 Å²	3	7 Å²	7	3%	0.025	3%	0.034	C	C	.	.	H	α-helix	trans	-67.6	-27.2	-171.2	0	0	0	0	0	113.5	E156 Y159 S160 F206 I211 T212 R213	E156-A209 HydrophobicContact CG-CB 3.75Å; E156-A209 PolarHBondContact OE1-N 3.12Å; Y159-A209 HydrophobicContact CD1-CB 4.1Å; S160-A209 WeakPolarHBondContact OG-CA 3.26Å; S160-A209 PolarHBondContact OG-N 3.19Å; F206-A209 HydrophobicContact CB-CB 4.32Å; F206-A209 PolarHBondContact O-N 3.07Å; A209-I211 PolarHBondContact O-N 3.17Å; A209-T212 PolarHBondContact O-OG1 3.42Å; A209-R213 WeakPolarHBondContact O-CG 3.42Å; A209-R213 PolarHBondContact O-N 2.9Å
210	M	98.7	Very high	98.7	Very high	9 Å²	9	7 Å²	7	4%	0.044	3%	0.034	C	C	.	.	H	α-helix	trans	-64.1	-28.5	173.2	-68.4	-79.4	145.6	0	0	112.7	T202 P203 F206 S208 R213 K214 T283	T202-M210 HydrophobicContact CG2-CB 3.84Å; T202-M210 WeakPolarHBondContact CG2-O 3.26Å; P203-M210 HydrophobicContact CG-CB 4.48Å; P203-M210 HydrophobicContact CG-CG 3.79Å; P203-M210 HydrophobicContact CG-SD 3.65Å; F206-M210 HydrophobicContact CB-CE 4.09Å; F206-M210 HydrophobicContact CB-CG 3.86Å; F206-M210 HydrophobicContact CD2-CE 3.93Å; F206-M210 HydrophobicContact CG-CE 4.4Å; F206-M210 WeakPolarHBondContact O-CB 3.08Å; F206-M210 WeakPolarHBondContact O-CG 3.3Å; F206-M210 PolarHBondContact O-N 2.96Å; S208-M210 VanDerWaalsContact C-N 3.29Å; S208-M210 PolarHBondContact O-N 3.29Å; M210-R213 PolarHBondContact SD-NH2 2.79Å; M210-K214 VanDerWaalsContact O-CD 3.29Å; M210-K214 WeakPolarHBondContact O-CD 3.34Å; M210-K214 WeakPolarHBondContact O-CE 3.27Å; M210-K214 WeakPolarHBondContact O-CG 3.38Å; M210-T283 HydrophobicContact SD-CG2 3.69Å
211	I	98.9	Very high	98.7	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-85.8	-53.9	-178.5	-59.8	174.7	0	0	0	109.4	T202 P207 S208 A209 R213 K214 V215 V227 A237 L240 Y254	T202-I211 HydrophobicContact CG2-CG1 3.84Å; P207-I211 VanDerWaalsContact O-CD1 3.24Å; P207-I211 WeakPolarHBondContact O-CD1 3.26Å; S208-I211 WeakPolarHBondContact O-CB 3.4Å; S208-I211 PolarHBondContact O-N 2.94Å; A209-I211 PolarHBondContact O-N 3.17Å; I211-R213 VanDerWaalsContact C-N 3.35Å; I211-R213 PolarHBondContact O-N 2.72Å; I211-K214 PolarHBondContact O-N 3.2Å; I211-K214 VanDerWaalsContact O-N 3.08Å; I211-V215 HydrophobicContact CG2-CB 4.43Å; I211-V215 HydrophobicContact CG2-CG2 3.69Å; I211-V215 WeakPolarHBondContact O-CB 3.33Å; I211-V215 VanDerWaalsContact O-CG2 3.26Å; I211-V215 WeakPolarHBondContact O-CG2 3.28Å; I211-V215 PolarHBondContact O-N 2.76Å; I211-V227 HydrophobicContact CD1-CG1 4.18Å; I211-V227 HydrophobicContact CG1-CG1 4.31Å; I211-V227 HydrophobicContact CG2-CG1 4.34Å; I211-V227 HydrophobicContact CG2-CG2 4.29Å; I211-A237 HydrophobicContact CD1-CB 3.38Å; I211-L240 HydrophobicContact CB-CD1 4.07Å; I211-L240 HydrophobicContact CD1-CD1 4.29Å; I211-L240 HydrophobicContact CG2-CD1 4.09Å; I211-Y254 HydrophobicContact CG2-CE2 4.1Å
212	T	98.9	Very high	98.7	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.006	3%	0.031	C	C	.	.	H	α-helix	trans	-61.9	-36	-173.3	48.1	0	0	0	0	113.6	M131 S160 L164 S208 A209 K214 G216 L240	M131-T212 HydrophobicContact CE-CG2 4.33Å; M131-T212 HydrophobicContact SD-CG2 4.13Å; S160-T212 WeakPolarHBondContact CA-OG1 3.25Å; S160-T212 VanDerWaalsContact O-CB 3.22Å; S160-T212 WeakPolarHBondContact O-CB 3.37Å; S160-T212 PolarHBondContact O-OG1 2.76Å; S160-T212 VanDerWaalsContact O-OG1 3.08Å; S160-T212 WeakPolarHBondContact OG-CG2 3.15Å; S160-T212 PolarHBondContact OG-OG1 2.95Å; L164-T212 HydrophobicContact CD1-CG2 4.18Å; L164-T212 HydrophobicContact CD2-CG2 4.03Å; L164-T212 HydrophobicContact CG-CG2 3.91Å; S208-T212 PolarHBondContact O-N 2.71Å; S208-T212 PolarHBondContact O-OG1 3.19Å; A209-T212 PolarHBondContact O-OG1 3.42Å; T212-K214 VanDerWaalsContact C-N 3.3Å; T212-K214 PolarHBondContact O-N 3.22Å; T212-G216 WeakPolarHBondContact O-CA 3.48Å; T212-G216 PolarHBondContact O-N 3.29Å; T212-L240 HydrophobicContact CG2-CD1 4.01Å; T212-L240 HydrophobicContact CG2-CD2 3.85Å
213	R	98.8	Very high	98.7	Very high	8 Å²	8	6 Å²	6	3%	0.03	3%	0.029	C	C	.	.	H	α-helix	trans	-64.5	-31.5	175	74.1	-172.4	175.8	142.8	-0.1	114.1	F163 F167 A209 M210 I211 T283 E306 F504 E515	F163-R213 HydrophobicContact CB-CB 4.28Å; F163-R213 HydrophobicContact CD1-CB 3.62Å; F163-R213 HydrophobicContact CD2-CB 3.59Å; F163-R213 HydrophobicContact CE1-CB 3.72Å; F163-R213 HydrophobicContact CE2-CB 3.67Å; F163-R213 HydrophobicContact CG-CB 3.56Å; F163-R213 HydrophobicContact CZ-CB 3.74Å; F167-R213 WeakPolarHBondContact CE2-O 3.47Å; A209-R213 WeakPolarHBondContact O-CG 3.42Å; A209-R213 PolarHBondContact O-N 2.9Å; M210-R213 PolarHBondContact SD-NH2 2.79Å; I211-R213 VanDerWaalsContact C-N 3.35Å; I211-R213 PolarHBondContact O-N 2.72Å; R213-T283 PolarHBondContact NH2-OG1 2.87Å; R213-E306 IonicContact CZ-OE2 3.07Å; R213-E306 IonicContact NH1-OE2 3.84Å; R213-E306 PolarHBondContact NH1-OE2 3.13Å; R213-E306 VanDerWaalsContact NH2-CD 3.25Å; R213-E306 IonicContact NH2-OE1 3.89Å; R213-E306 PolarHBondContact NH2-OE1 2.78Å; R213-E306 IonicContact NH2-OE2 2.76Å; R213-E306 PolarHBondContact NH2-OE2 3.46Å; R213-F504 VanDerWaalsContact NH1-CD1 3.26Å; R213-E515 IonicContact CZ-OE2 2.69Å; R213-E515 IonicContact NE-OE2 3.59Å; R213-E515 PolarHBondContact NE-OE2 2.9Å; R213-E515 IonicContact NH1-OE2 3.42Å; R213-E515 IonicContact NH2-OE2 2.7Å
214	K	98.9	Very high	98.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-81.6	-48	176.7	-62.2	178.8	-174.7	-59.3	0	111	V200 T202 M210 I211 T212 A218 S281 T283 E515 Y524	V200-K214 HydrophobicContact CG1-CB 4.13Å; V200-K214 HydrophobicContact CG1-CD 3.79Å; T202-K214 HydrophobicContact CG2-CD 4.01Å; M210-K214 VanDerWaalsContact O-CD 3.29Å; M210-K214 WeakPolarHBondContact O-CD 3.34Å; M210-K214 WeakPolarHBondContact O-CE 3.27Å; M210-K214 WeakPolarHBondContact O-CG 3.38Å; I211-K214 PolarHBondContact O-N 3.2Å; I211-K214 VanDerWaalsContact O-N 3.08Å; T212-K214 VanDerWaalsContact C-N 3.3Å; T212-K214 PolarHBondContact O-N 3.22Å; K214-A218 WeakPolarHBondContact O-CB 3.29Å; K214-A218 PolarHBondContact O-N 3.03Å; K214-A218 VanDerWaalsContact O-N 3.09Å; K214-S281 VanDerWaalsContact CD-OG 3.3Å; K214-S281 WeakPolarHBondContact CD-OG 3.42Å; K214-S281 PolarHBondContact NZ-OG 3.5Å; K214-T283 VanDerWaalsContact CE-OG1 3.24Å; K214-T283 WeakPolarHBondContact CE-OG1 3.34Å; K214-T283 PolarHBondContact NZ-OG1 3.24Å; K214-E515 WeakPolarHBondContact CG-OE1 3.34Å; K214-E515 IonicContact NZ-OE1 2.92Å; K214-E515 PolarHBondContact NZ-OE1 3.31Å; K214-E515 IonicContact NZ-OE2 2.8Å; K214-E515 PolarHBondContact NZ-OE2 3.46Å; K214-Y524 PolarHBondContact O-OH 3.27Å
215	V	98.9	Very high	98.8	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-76	-37.5	-171.6	172.9	0	0	0	0	112	W127 V200 I211 A218 L219 V225 V227 Y254	W127-V215 HydrophobicContact CH2-CG1 3.86Å; W127-V215 HydrophobicContact CZ3-CG1 3.97Å; V200-V215 HydrophobicContact CG1-CG2 4.42Å; I211-V215 HydrophobicContact CG2-CB 4.43Å; I211-V215 HydrophobicContact CG2-CG2 3.69Å; I211-V215 WeakPolarHBondContact O-CB 3.33Å; I211-V215 VanDerWaalsContact O-CG2 3.26Å; I211-V215 WeakPolarHBondContact O-CG2 3.28Å; I211-V215 PolarHBondContact O-N 2.76Å; V215-A218 PolarHBondContact O-N 3.16Å; V215-L219 HydrophobicContact CG1-CD1 4.08Å; V215-L219 HydrophobicContact CG1-CD2 4.22Å; V215-L219 WeakPolarHBondContact O-CB 3.42Å; V215-L219 WeakPolarHBondContact O-CD1 3.29Å; V215-L219 PolarHBondContact O-N 3.47Å; V215-V225 HydrophobicContact CG1-CG2 4Å; V215-V225 HydrophobicContact CG2-CB 4.47Å; V215-V225 HydrophobicContact CG2-CG1 4.29Å; V215-V225 HydrophobicContact CG2-CG2 4.01Å; V215-V227 HydrophobicContact CG2-CG2 4.06Å; V215-Y254 HydrophobicContact CG1-CD2 3.67Å; V215-Y254 HydrophobicContact CG1-CE2 3.91Å; V215-Y254 HydrophobicContact CG2-CD2 4.42Å; V215-Y254 HydrophobicContact CG2-CE2 4.08Å
216	G	98.9	Very high	98.9	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-57	-52.5	172.6	0	0	0	0	0	111.2	T212 A218 L219 A220	T212-G216 WeakPolarHBondContact O-CA 3.48Å; T212-G216 PolarHBondContact O-N 3.29Å; G216-A218 PolarHBondContact O-N 3.16Å; G216-L219 PolarHBondContact O-N 2.98Å; G216-A220 WeakPolarHBondContact O-CB 3.33Å; G216-A220 PolarHBondContact O-N 3.21Å
217	A	98.9	Very high	98.9	Very high	1 Å²	1	1.4 Å²	1.4	1%	0.008	1%	0.008	C	C	.	.	H	α-helix	trans	-59.2	-45.5	177.3	0	0	0	0	0	112.8	F167 A220 A221 G520 Y524	F167-A217 HydrophobicContact CD1-CB 3.91Å; F167-A217 HydrophobicContact CD2-CB 4.04Å; F167-A217 HydrophobicContact CE1-CB 3.78Å; F167-A217 HydrophobicContact CE2-CB 3.9Å; F167-A217 HydrophobicContact CG-CB 4.06Å; F167-A217 HydrophobicContact CZ-CB 3.78Å; A217-A220 PolarHBondContact O-N 3.09Å; A217-A221 PolarHBondContact O-N 2.9Å; A217-G520 WeakPolarHBondContact CB-O 3.43Å; A217-Y524 HydrophobicContact CB-CD2 3.67Å; A217-Y524 HydrophobicContact CB-CE2 3.61Å
218	A	98.9	Very high	98.9	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-58.9	-51.7	177.3	0	0	0	0	0	112.2	K214 V215 G216 A220 A221 G222 C223 V225 Y524	K214-A218 WeakPolarHBondContact O-CB 3.29Å; K214-A218 PolarHBondContact O-N 3.03Å; K214-A218 VanDerWaalsContact O-N 3.09Å; V215-A218 PolarHBondContact O-N 3.16Å; G216-A218 PolarHBondContact O-N 3.16Å; A218-A220 VanDerWaalsContact C-N 3.34Å; A218-A220 PolarHBondContact O-N 3.07Å; A218-A221 PolarHBondContact O-N 2.88Å; A218-G222 PolarHBondContact O-N 3.02Å; A218-G222 VanDerWaalsContact O-N 3.12Å; A218-C223 HydrophobicContact CB-CB 4.17Å; A218-C223 WeakPolarHBondContact O-CA 3.34Å; A218-C223 WeakPolarHBondContact O-CB 3.33Å; A218-C223 PolarHBondContact O-N 2.95Å; A218-V225 HydrophobicContact CB-CG1 3.59Å; A218-Y524 HydrophobicContact CB-CD1 3.64Å; A218-Y524 HydrophobicContact CB-CE1 3.7Å; A218-Y524 HydrophobicContact CB-CG 4.13Å
219	L	98.9	Very high	98.9	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-68.6	-33.7	-178.8	-89.8	54.1	0	0	0	112.2	W112 R120 L124 W127 V215 G216 G222 V225 I249 V253	W112-L219 HydrophobicContact CZ2-CB 4.2Å; W112-L219 HydrophobicContact CZ2-CG 4.21Å; W112-L219 PolarHBondContact NE1-O 3.22Å; R120-L219 WeakPolarHBondContact CD-O 3.37Å; R120-L219 PolarHBondContact NE-O 3.29Å; L124-L219 HydrophobicContact CD1-CB 4.35Å; L124-L219 HydrophobicContact CD2-CB 4.05Å; L124-L219 HydrophobicContact CD2-CD2 4.18Å; W127-L219 HydrophobicContact CZ3-CD2 3.83Å; V215-L219 HydrophobicContact CG1-CD1 4.08Å; V215-L219 HydrophobicContact CG1-CD2 4.22Å; V215-L219 WeakPolarHBondContact O-CB 3.42Å; V215-L219 WeakPolarHBondContact O-CD1 3.29Å; V215-L219 PolarHBondContact O-N 3.47Å; G216-L219 PolarHBondContact O-N 2.98Å; L219-G222 PolarHBondContact O-N 3.13Å; L219-V225 HydrophobicContact CD1-CG1 4.09Å; L219-V225 HydrophobicContact CD1-CG2 4.31Å; L219-I249 HydrophobicContact CD2-CD1 4.26Å; L219-I249 HydrophobicContact CD2-CG2 4.46Å; L219-V253 HydrophobicContact CD1-CG1 3.94Å; L219-V253 HydrophobicContact CD2-CG1 3.87Å; L219-V253 HydrophobicContact CG-CG1 3.61Å
220	A	98.9	Very high	98.9	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-61.2	-49.3	174.5	0	0	0	0	0	111.6	R120 L124 F167 A171 G216 A217 A218 G222 I521	R120-A220 PolarHBondContact NE-O 3.26Å; R120-A220 PolarHBondContact NH2-O 2.86Å; L124-A220 HydrophobicContact CD1-CB 4.06Å; F167-A220 HydrophobicContact CB-CB 4.05Å; F167-A220 WeakPolarHBondContact O-CB 3.2Å; A171-A220 HydrophobicContact CB-CB 3.71Å; G216-A220 WeakPolarHBondContact O-CB 3.33Å; G216-A220 PolarHBondContact O-N 3.21Å; A217-A220 PolarHBondContact O-N 3.09Å; A218-A220 VanDerWaalsContact C-N 3.34Å; A218-A220 PolarHBondContact O-N 3.07Å; A220-G222 PolarHBondContact O-N 3.04Å; A220-I521 HydrophobicContact CB-CD1 3.71Å; A220-I521 HydrophobicContact CB-CG1 4.47Å
221	A	98.9	Very high	98.9	Very high	2 Å²	2	3.3 Å²	3.3	2%	0.017	2%	0.017	C	C	.	.	H	α-helix	trans	-60	-31.5	173.7	0	0	0	0	0	112.7	R120 P194 A217 A218 I521 L525	R120-A221 PolarHBondContact NH2-O 3.25Å; R120-A221 VanDerWaalsContact NH2-O 3.12Å; P194-A221 WeakPolarHBondContact CB-O 3.4Å; A217-A221 PolarHBondContact O-N 2.9Å; A218-A221 PolarHBondContact O-N 2.88Å; A221-I521 HydrophobicContact CB-CG1 4Å; A221-L525 HydrophobicContact CB-CD2 3.81Å; A221-L525 HydrophobicContact CB-CG 4.06Å
222	G	98.9	Very high	98.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.5	14.1	-176.2	0	0	0	0	0	114	F109 A218 L219 A220	F109-G222 WeakPolarHBondContact CD2-O 3.5Å; A218-G222 PolarHBondContact O-N 3.02Å; A218-G222 VanDerWaalsContact O-N 3.12Å; L219-G222 PolarHBondContact O-N 3.13Å; A220-G222 PolarHBondContact O-N 3.04Å
223	C	98.9	Very high	98.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.			trans	-77.8	166.4	168.4	-65.8	0	0	0	0	111.2	W112 P194 I195 G196 A218 Y524	W112-C223 PolarHBondContact NE1-O 3.11Å; P194-C223 VanDerWaalsContact CB-SG 3.57Å; I195-C223 PolarHBondContact N-SG 3.37Å; I195-C223 VanDerWaalsContact N-SG 3.41Å; G196-C223 VanDerWaalsContact O-CA 3.27Å; G196-C223 WeakPolarHBondContact O-CA 3.33Å; G196-C223 WeakPolarHBondContact O-CB 3.42Å; G196-C223 PolarHBondContact O-SG 3.42Å; A218-C223 HydrophobicContact CB-CB 4.17Å; A218-C223 WeakPolarHBondContact O-CA 3.34Å; A218-C223 WeakPolarHBondContact O-CB 3.33Å; A218-C223 PolarHBondContact O-N 2.95Å; C223-Y524 PolarHBondContact SG-O 3.09Å
224	T	99	Very high	98.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	162	169.4	59.1	0	0	0	0	110.1	A105 A108 F109 W112 G196 A198 V253	A105-T224 PolarHBondContact O-OG1 3.23Å; A108-T224 HydrophobicContact CB-CG2 4.13Å; F109-T224 HydrophobicContact CB-CG2 3.94Å; W112-T224 HydrophobicContact CB-CG2 4.09Å; W112-T224 HydrophobicContact CG-CG2 4.23Å; G196-T224 PolarHBondContact O-N 2.9Å; A198-T224 PolarHBondContact N-O 2.88Å; T224-V253 HydrophobicContact CG2-CB 4.25Å; T224-V253 HydrophobicContact CG2-CG1 4.27Å; T224-V253 HydrophobicContact CG2-CG2 4.08Å
225	V	99	Very high	98.9	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.3	-171.2	-57.9	0	0	0	0	114.3	A198 V200 V215 A218 L219 V227 V253 Y254 N255	A198-V225 HydrophobicContact CB-CG1 4.4Å; A198-V225 WeakPolarHBondContact O-CA 3.42Å; V200-V225 HydrophobicContact CG2-CB 4.14Å; V200-V225 HydrophobicContact CG2-CG1 4.03Å; V215-V225 HydrophobicContact CG1-CG2 4Å; V215-V225 HydrophobicContact CG2-CB 4.47Å; V215-V225 HydrophobicContact CG2-CG1 4.29Å; V215-V225 HydrophobicContact CG2-CG2 4.01Å; A218-V225 HydrophobicContact CB-CG1 3.59Å; L219-V225 HydrophobicContact CD1-CG1 4.09Å; L219-V225 HydrophobicContact CD1-CG2 4.31Å; V225-V227 HydrophobicContact CG2-CG2 4.14Å; V225-V253 PolarHBondContact N-O 3.44Å; V225-Y254 HydrophobicContact CG2-CD2 3.58Å; V225-Y254 HydrophobicContact CG2-CE2 4.32Å; V225-Y254 HydrophobicContact CG2-CG 4.41Å; V225-N255 PolarHBondContact O-N 2.83Å; V225-N255 PolarHBondContact O-ND2 3.14Å
226	V	99	Very high	98.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.8	164.1	-179.6	0	0	0	0	108.1	A101 V102 A105 V197 A198 V200 I257 I271	A101-V226 HydrophobicContact CB-CG1 3.82Å; A101-V226 HydrophobicContact CB-CG2 4.21Å; V102-V226 HydrophobicContact CG2-CG2 4.19Å; A105-V226 HydrophobicContact CB-CG2 3.69Å; V197-V226 HydrophobicContact CG1-CG2 4.35Å; A198-V226 PolarHBondContact O-N 2.72Å; V200-V226 PolarHBondContact N-O 2.69Å; V226-I257 HydrophobicContact CG1-CD1 3.56Å; V226-I257 HydrophobicContact CG1-CG1 3.81Å; V226-I271 HydrophobicContact CG1-CG2 4.3Å
227	V	98.9	Very high	98.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.1	-176.1	-176.1	0	0	0	0	111	V200 I211 V215 V225 P229 Y254 N255 V256 I257	V200-V227 HydrophobicContact CB-CG2 4.1Å; V200-V227 HydrophobicContact CG1-CG1 4.36Å; V200-V227 HydrophobicContact CG1-CG2 4.15Å; V200-V227 CarbonylContact O-C 3.44Å; V200-V227 VanDerWaalsContact O-CA 3.29Å; V200-V227 WeakPolarHBondContact O-CA 3.42Å; I211-V227 HydrophobicContact CD1-CG1 4.18Å; I211-V227 HydrophobicContact CG1-CG1 4.31Å; I211-V227 HydrophobicContact CG2-CG1 4.34Å; I211-V227 HydrophobicContact CG2-CG2 4.29Å; V215-V227 HydrophobicContact CG2-CG2 4.06Å; V225-V227 HydrophobicContact CG2-CG2 4.14Å; V227-P229 WeakPolarHBondContact O-CD 3.18Å; V227-Y254 HydrophobicContact CG2-CD2 4.31Å; V227-Y254 HydrophobicContact CG2-CE2 3.69Å; V227-N255 WeakPolarHBondContact CB-O 3.41Å; V227-N255 PolarHBondContact N-O 3.07Å; V227-V256 HydrophobicContact CB-CG2 4.41Å; V227-V256 CarbonylContact O-C 3.6Å; V227-V256 WeakPolarHBondContact O-CA 3.36Å; V227-I257 WeakPolarHBondContact O-CG1 3.38Å; V227-I257 PolarHBondContact O-N 2.87Å
228	K	98.9	Very high	98.9	Very high	11 Å²	11	4.9 Å²	4.9	5%	0.048	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	104	164.1	-169.5	-50.1	-152	-161.9	0	106.9	V200 I201 T202 E231 C259 V267 I271	V200-K228 PolarHBondContact O-N 3.06Å; I201-K228 WeakPolarHBondContact CA-O 3.37Å; I201-K228 HydrophobicContact CG1-CB 4.19Å; T202-K228 PolarHBondContact N-O 3.1Å; K228-E231 IonicContact NZ-OE2 3.98Å; K228-E231 PolarHBondContact NZ-OE2 3.21Å; K228-E231 VanDerWaalsContact NZ-OE2 3.15Å; K228-C259 WeakPolarHBondContact CE-SG 3.44Å; K228-C259 PolarHBondContact NZ-O 3.47Å; K228-V267 HydrophobicContact CG-CG1 3.96Å; K228-I271 HydrophobicContact CB-CD1 4.02Å
229	P	98.9	Very high	98.9	Very high	3 Å²	3	4.9 Å²	4.9	2%	0.019	3%	0.026	C	C	.	.			trans	-76	168.3	175.2	32	-35.1	0	0	0	112.2	V227 P234 A237 V256 P258	V227-P229 WeakPolarHBondContact O-CD 3.18Å; P229-P234 HydrophobicContact CG-CB 4.2Å; P229-A237 HydrophobicContact CB-CB 3.8Å; P229-A237 HydrophobicContact CG-CB 4.03Å; P229-V256 HydrophobicContact CG-CG1 4.14Å; P229-P258 HydrophobicContact CG-CB 4.36Å; P229-P258 HydrophobicContact CG-CG 4.47Å
230	A	98.7	Very high	98.9	Very high	8 Å²	8	5 Å²	5	7%	0.066	3%	0.027	C	C	.	.			trans	-63.3	142.2	168.3	0	0	0	0	0	111.2	T202 W204 D232 T233	T202-A230 PolarHBondContact O-N 3.12Å; T202-A230 VanDerWaalsContact O-N 3.15Å; W204-A230 HydrophobicContact CB-CB 3.71Å; A230-D232 VanDerWaalsContact C-N 3.25Å; A230-D232 PolarHBondContact O-N 2.83Å; A230-T233 CarbonylContact O-C 3.45Å; A230-T233 PolarHBondContact O-N 3.34Å
231	E	98.5	Very high	98.9	Very high	35 Å²	35	5 Å²	5	16%	0.164	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.9	179	59.5	-88.5	-162.9	0	0	113.7	F76 K228 T233 C259 R261	F76-E231 HydrophobicContact CE2-CB 4.3Å; F76-E231 VanDerWaalsContact CE2-O 3.29Å; F76-E231 WeakPolarHBondContact CE2-O 3.21Å; K228-E231 IonicContact NZ-OE2 3.98Å; K228-E231 PolarHBondContact NZ-OE2 3.21Å; K228-E231 VanDerWaalsContact NZ-OE2 3.15Å; E231-T233 VanDerWaalsContact C-N 3.31Å; E231-C259 WeakPolarHBondContact CB-O 3.18Å; E231-R261 HydrophobicContact CG-CB 4.14Å; E231-R261 WeakPolarHBondContact OE1-CB 3.34Å; E231-R261 IonicContact OE1-CZ 3.09Å; E231-R261 VanDerWaalsContact OE1-CZ 3.32Å; E231-R261 IonicContact OE1-NE 3.46Å; E231-R261 PolarHBondContact OE1-NE 3.43Å; E231-R261 IonicContact OE1-NH2 3.78Å; E231-R261 PolarHBondContact OE1-NH2 2.77Å
232	D	98.6	Very high	98.8	Very high	33 Å²	33	5.8 Å²	5.8	18%	0.176	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.4	178.6	-44.6	-98.1	0	0	0	111.8	W204 A230 R261 I384 N385	W204-D232 HydrophobicContact CB-CB 4.33Å; A230-D232 VanDerWaalsContact C-N 3.25Å; A230-D232 PolarHBondContact O-N 2.83Å; D232-R261 IonicContact OD1-CZ 3.34Å; D232-R261 IonicContact OD1-NH2 2.69Å; D232-R261 PolarHBondContact OD1-NH2 3.42Å; D232-R261 IonicContact OD2-NH2 2.72Å; D232-R261 PolarHBondContact OD2-NH2 3.22Å; D232-I384 HydrophobicContact CB-CD1 4.07Å; D232-I384 HydrophobicContact CB-CG1 3.96Å; D232-N385 PolarHBondContact OD1-ND2 3.22Å
233	T	98.8	Very high	98.8	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.012	3%	0.03	C	C	.	.			trans	-146.5	63.2	-172.5	62.1	0	0	0	0	114.3	E145 W204 P207 A230 E231 I384	E145-T233 HydrophobicContact CB-CG2 4.07Å; E145-T233 HydrophobicContact CG-CG2 3.78Å; E145-T233 WeakPolarHBondContact OE2-CA 3.42Å; W204-T233 WeakPolarHBondContact CA-OG1 3.48Å; W204-T233 HydrophobicContact CB-CG2 3.69Å; W204-T233 VanDerWaalsContact CB-OG1 3.27Å; W204-T233 WeakPolarHBondContact CB-OG1 3.01Å; P207-T233 WeakPolarHBondContact CB-OG1 3.37Å; A230-T233 CarbonylContact O-C 3.45Å; A230-T233 PolarHBondContact O-N 3.34Å; E231-T233 VanDerWaalsContact C-N 3.31Å; T233-I384 HydrophobicContact CG2-CD1 4.25Å
234	P	98.8	Very high	98.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.			trans	-82.9	-18.9	-177.3	34.5	-37.3	0	0	0	114.6	F76 V78 V90 P229 S236 A237 L238 P258	F76-P234 HydrophobicContact CE2-CG 4.14Å; F76-P234 HydrophobicContact CZ-CB 4.37Å; F76-P234 HydrophobicContact CZ-CG 4.12Å; V78-P234 HydrophobicContact CG2-CG 3.6Å; V90-P234 HydrophobicContact CB-CG 4.32Å; V90-P234 HydrophobicContact CG1-CB 4.21Å; V90-P234 HydrophobicContact CG1-CG 4.1Å; V90-P234 HydrophobicContact CG2-CG 3.91Å; P229-P234 HydrophobicContact CG-CB 4.2Å; P234-S236 PolarHBondContact O-N 2.85Å; P234-A237 WeakPolarHBondContact O-CB 3.38Å; P234-A237 PolarHBondContact O-N 3.25Å; P234-L238 WeakPolarHBondContact O-CG 3.37Å; P234-L238 PolarHBondContact O-N 2.94Å; P234-P258 HydrophobicContact CB-CB 4.13Å; P234-P258 HydrophobicContact CB-CG 4.49Å
235	F	98.8	Very high	98.8	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.018	5%	0.05	C	C	.	.	H	α-helix	trans	-69.5	-38.2	-167.6	-63.9	-63.7	0	0	0	112.6	L59 R60 V78 L87 V90 I141 E145 A237 L238 A239	L59-F235 HydrophobicContact CD1-CB 4.16Å; L59-F235 HydrophobicContact CD1-CD1 3.62Å; L59-F235 HydrophobicContact CD1-CD2 4.25Å; L59-F235 HydrophobicContact CD1-CE1 3.99Å; L59-F235 HydrophobicContact CD1-CG 3.77Å; L59-F235 HydrophobicContact CD1-CZ 4.44Å; R60-F235 VanDerWaalsContact O-CD1 3.29Å; R60-F235 WeakPolarHBondContact O-CD1 3.48Å; V78-F235 HydrophobicContact CB-CE2 3.59Å; V78-F235 HydrophobicContact CB-CZ 3.96Å; V78-F235 HydrophobicContact CG1-CD2 4.15Å; V78-F235 HydrophobicContact CG1-CE2 3.56Å; V78-F235 HydrophobicContact CG1-CZ 4.41Å; V78-F235 HydrophobicContact CG2-CE2 3.97Å; V78-F235 HydrophobicContact CG2-CZ 4.07Å; L87-F235 HydrophobicContact CB-CE2 3.71Å; L87-F235 HydrophobicContact CB-CZ 4.25Å; V90-F235 HydrophobicContact CG2-CD1 4.23Å; V90-F235 HydrophobicContact CG2-CE1 3.46Å; V90-F235 VanDerWaalsContact CG2-CE1 3.46Å; V90-F235 HydrophobicContact CG2-CZ 3.7Å; I141-F235 HydrophobicContact CG2-CB 3.6Å; E145-F235 HydrophobicContact CB-CD2 4.36Å; E145-F235 VanDerWaalsContact OE2-CB 3.32Å; E145-F235 WeakPolarHBondContact OE2-CB 3.42Å; E145-F235 WeakPolarHBondContact OE2-CD2 3.37Å; E145-F235 PolarHBondContact OE2-N 3.36Å; F235-A237 PolarHBondContact O-N 2.9Å; F235-L238 PolarHBondContact O-N 3.18Å; F235-L238 VanDerWaalsContact O-N 3.09Å; F235-A239 WeakPolarHBondContact O-CB 3.36Å; F235-A239 PolarHBondContact O-N 3.02Å
236	S	98.9	Very high	98.8	Very high	5 Å²	5	13 Å²	13	4%	0.035	7%	0.071	C	C	.	.	H	α-helix	trans	-57.2	-37.8	174.6	-65.7	0	0	0	0	112.7	I142 E145 P207 P234 L238 L240	I142-S236 VanDerWaalsContact CG1-OG 3.28Å; I142-S236 WeakPolarHBondContact CG1-OG 3Å; E145-S236 WeakPolarHBondContact OE1-CB 3.48Å; E145-S236 PolarHBondContact OE1-N 3.49Å; E145-S236 PolarHBondContact OE1-OG 3.45Å; P207-S236 WeakPolarHBondContact O-CB 3.24Å; P234-S236 PolarHBondContact O-N 2.85Å; S236-L238 VanDerWaalsContact C-N 3.32Å; S236-L238 PolarHBondContact O-N 3.46Å; S236-L240 WeakPolarHBondContact O-CB 3.46Å; S236-L240 VanDerWaalsContact O-CG 3.29Å; S236-L240 WeakPolarHBondContact O-CG 3.46Å; S236-L240 PolarHBondContact O-N 2.89Å
237	A	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.3	-34.9	177.7	0	0	0	0	0	112.5	I211 P229 P234 F235 A241 Y254 V256	I211-A237 HydrophobicContact CD1-CB 3.38Å; P229-A237 HydrophobicContact CB-CB 3.8Å; P229-A237 HydrophobicContact CG-CB 4.03Å; P234-A237 WeakPolarHBondContact O-CB 3.38Å; P234-A237 PolarHBondContact O-N 3.25Å; F235-A237 PolarHBondContact O-N 2.9Å; A237-A241 PolarHBondContact O-N 2.88Å; A237-Y254 PolarHBondContact O-OH 3.24Å; A237-V256 HydrophobicContact CB-CG1 3.78Å
238	L	98.9	Very high	98.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-82.7	-36.8	180	-56.2	174.1	0	0	0	111.8	R60 D62 W69 V90 P234 F235 S236 L240 A241 E242 V256 P258	R60-L238 HydrophobicContact CB-CB 3.89Å; R60-L238 HydrophobicContact CB-CD1 4.43Å; R60-L238 VanDerWaalsContact O-CD1 3.24Å; R60-L238 WeakPolarHBondContact O-CD1 3.26Å; D62-L238 WeakPolarHBondContact O-CD2 3.37Å; W69-L238 HydrophobicContact CH2-CB 4.22Å; W69-L238 WeakPolarHBondContact CH2-O 3.3Å; W69-L238 HydrophobicContact CZ3-CB 4.2Å; W69-L238 HydrophobicContact CZ3-CD2 4.13Å; V90-L238 HydrophobicContact CG1-CD1 4.28Å; P234-L238 WeakPolarHBondContact O-CG 3.37Å; P234-L238 PolarHBondContact O-N 2.94Å; F235-L238 PolarHBondContact O-N 3.18Å; F235-L238 VanDerWaalsContact O-N 3.09Å; S236-L238 VanDerWaalsContact C-N 3.32Å; S236-L238 PolarHBondContact O-N 3.46Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 2.94Å; L238-A241 WeakPolarHBondContact O-CA 3.4Å; L238-A241 VanDerWaalsContact O-CB 3.23Å; L238-A241 WeakPolarHBondContact O-CB 3.38Å; L238-A241 PolarHBondContact O-N 3.01Å; L238-E242 PolarHBondContact O-N 2.99Å; L238-V256 HydrophobicContact CD2-CB 3.78Å; L238-V256 HydrophobicContact CD2-CG1 3.59Å; L238-V256 HydrophobicContact CG-CG1 4.46Å; L238-P258 HydrophobicContact CD1-CG 4Å; L238-P258 HydrophobicContact CD2-CG 3.86Å; L238-P258 HydrophobicContact CG-CG 4.28Å
239	A	98.9	Very high	98.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-38.7	170.1	0	0	0	0	0	111.2	L58 L138 I141 F235 A241 E242 L243	L58-A239 HydrophobicContact CB-CB 4.36Å; L58-A239 WeakPolarHBondContact O-CA 3.43Å; L58-A239 WeakPolarHBondContact O-CB 3.31Å; L138-A239 HydrophobicContact CD2-CB 3.64Å; I141-A239 HydrophobicContact CD1-CB 4.04Å; F235-A239 WeakPolarHBondContact O-CB 3.36Å; F235-A239 PolarHBondContact O-N 3.02Å; A239-A241 VanDerWaalsContact C-N 3.28Å; A239-A241 PolarHBondContact O-N 3.25Å; A239-E242 PolarHBondContact O-N 3.18Å; A239-L243 WeakPolarHBondContact O-CG 3.34Å; A239-L243 PolarHBondContact O-N 3.04Å; A239-L243 VanDerWaalsContact O-N 3.15Å
240	L	98.9	Very high	98.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-35.1	168.8	-77.6	172.2	0	0	0	112.6	W127 M131 I211 T212 S236 L238 L243 A244	W127-L240 HydrophobicContact CZ2-CB 4.17Å; W127-L240 HydrophobicContact CZ2-CD2 4.37Å; W127-L240 VanDerWaalsContact CZ2-O 3.32Å; W127-L240 WeakPolarHBondContact CZ2-O 3.32Å; W127-L240 PolarHBondContact NE1-O 3.29Å; W127-L240 VanDerWaalsContact NE1-O 3.12Å; M131-L240 HydrophobicContact CE-CD2 3.78Å; M131-L240 HydrophobicContact CG-CD2 4.22Å; M131-L240 HydrophobicContact SD-CD2 3.47Å; M131-L240 WeakPolarHBondContact SD-CD2 3.42Å; I211-L240 HydrophobicContact CB-CD1 4.07Å; I211-L240 HydrophobicContact CD1-CD1 4.29Å; I211-L240 HydrophobicContact CG2-CD1 4.09Å; T212-L240 HydrophobicContact CG2-CD1 4.01Å; T212-L240 HydrophobicContact CG2-CD2 3.85Å; S236-L240 WeakPolarHBondContact O-CB 3.46Å; S236-L240 VanDerWaalsContact O-CG 3.29Å; S236-L240 WeakPolarHBondContact O-CG 3.46Å; S236-L240 PolarHBondContact O-N 2.89Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 2.94Å; L240-L243 PolarHBondContact O-N 3.19Å; L240-A244 WeakPolarHBondContact O-CB 3.11Å; L240-A244 PolarHBondContact O-N 3.45Å
241	A	98.9	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.9	-40.7	177.8	0	0	0	0	0	113.2	F64 W69 A237 L238 A239 L243 A244 S245 Y254 V256	F64-A241 HydrophobicContact CB-CB 3.78Å; F64-A241 HydrophobicContact CD1-CB 3.77Å; F64-A241 HydrophobicContact CD2-CB 4.06Å; F64-A241 HydrophobicContact CE1-CB 4.3Å; F64-A241 HydrophobicContact CG-CB 3.62Å; W69-A241 HydrophobicContact CH2-CB 3.83Å; W69-A241 HydrophobicContact CZ2-CB 4.39Å; A237-A241 PolarHBondContact O-N 2.88Å; L238-A241 WeakPolarHBondContact O-CA 3.4Å; L238-A241 VanDerWaalsContact O-CB 3.23Å; L238-A241 WeakPolarHBondContact O-CB 3.38Å; L238-A241 PolarHBondContact O-N 3.01Å; A239-A241 VanDerWaalsContact C-N 3.28Å; A239-A241 PolarHBondContact O-N 3.25Å; A241-L243 VanDerWaalsContact C-N 3.35Å; A241-A244 WeakPolarHBondContact O-CB 3.38Å; A241-A244 PolarHBondContact O-N 2.86Å; A241-S245 PolarHBondContact O-N 3.01Å; A241-Y254 VanDerWaalsContact CA-CE1 3.48Å; A241-Y254 HydrophobicContact CB-CD1 4Å; A241-Y254 HydrophobicContact CB-CE1 3.59Å; A241-V256 HydrophobicContact CB-CG2 4.14Å
242	E	98.8	Very high	98.8	Very high	19 Å²	19	19.9 Å²	19.9	9%	0.089	13%	0.128	C	C	.	.	H	α-helix	trans	-57.4	-49.7	171.9	178.6	62.9	-152.3	0	0	110.4	A57 L58 R60 W69 L238 A239 A244 S245 Q246	A57-E242 HydrophobicContact CB-CG 4.17Å; A57-E242 VanDerWaalsContact O-CG 3.31Å; A57-E242 WeakPolarHBondContact O-CG 2.95Å; L58-E242 HydrophobicContact CD2-CG 4.21Å; R60-E242 IonicContact CZ-OE2 3.37Å; R60-E242 IonicContact NE-OE2 3.31Å; R60-E242 PolarHBondContact NE-OE2 3.41Å; R60-E242 IonicContact NH2-OE1 3.9Å; R60-E242 IonicContact NH2-OE2 2.69Å; R60-E242 PolarHBondContact NH2-OE2 3.21Å; W69-E242 HydrophobicContact CZ2-CB 4.08Å; L238-E242 PolarHBondContact O-N 2.99Å; A239-E242 PolarHBondContact O-N 3.18Å; E242-A244 VanDerWaalsContact C-N 3.34Å; E242-A244 PolarHBondContact O-N 3.41Å; E242-S245 WeakPolarHBondContact O-CB 3.33Å; E242-S245 PolarHBondContact O-N 3.37Å; E242-Q246 WeakPolarHBondContact O-CG 3.46Å; E242-Q246 PolarHBondContact O-N 2.82Å; E242-Q246 PolarHBondContact OE1-NE2 3.09Å
243	L	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69.3	-29.4	179.8	-61.7	-175	0	0	0	113.1	L58 L130 M131 N134 L138 A239 L240 A241 Q246 A247	L58-L243 HydrophobicContact CD2-CD1 4.41Å; L58-L243 HydrophobicContact CD2-CD2 3.71Å; L58-L243 HydrophobicContact CD2-CG 3.95Å; L130-L243 HydrophobicContact CB-CB 4.38Å; L130-L243 HydrophobicContact CB-CD2 4.24Å; M131-L243 HydrophobicContact CG-CD1 4.04Å; N134-L243 HydrophobicContact CB-CD1 4.27Å; L138-L243 HydrophobicContact CD1-CD1 3.86Å; L138-L243 HydrophobicContact CD2-CD1 4.26Å; A239-L243 WeakPolarHBondContact O-CG 3.34Å; A239-L243 PolarHBondContact O-N 3.04Å; A239-L243 VanDerWaalsContact O-N 3.15Å; L240-L243 PolarHBondContact O-N 3.19Å; A241-L243 VanDerWaalsContact C-N 3.35Å; L243-Q246 PolarHBondContact O-N 3.23Å; L243-A247 VanDerWaalsContact O-CB 3.29Å; L243-A247 WeakPolarHBondContact O-CB 3.33Å; L243-A247 PolarHBondContact O-N 3.08Å
244	A	98.9	Very high	98.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-44.3	171	0	0	0	0	0	111.1	W127 L240 A241 E242 A247 G248 I249 Y254	W127-A244 HydrophobicContact CD2-CB 4.12Å; W127-A244 HydrophobicContact CE3-CB 4.47Å; W127-A244 HydrophobicContact CH2-CB 4.07Å; W127-A244 HydrophobicContact CZ2-CB 3.66Å; W127-A244 HydrophobicContact CZ3-CB 4.45Å; L240-A244 WeakPolarHBondContact O-CB 3.11Å; L240-A244 PolarHBondContact O-N 3.45Å; A241-A244 WeakPolarHBondContact O-CB 3.38Å; A241-A244 PolarHBondContact O-N 2.86Å; E242-A244 VanDerWaalsContact C-N 3.34Å; E242-A244 PolarHBondContact O-N 3.41Å; A244-A247 PolarHBondContact O-N 3.26Å; A244-G248 PolarHBondContact O-N 3.47Å; A244-I249 HydrophobicContact CB-CB 4.08Å; A244-I249 HydrophobicContact CB-CG1 4.02Å; A244-I249 VanDerWaalsContact O-CB 3.28Å; A244-I249 WeakPolarHBondContact O-CB 3.36Å; A244-I249 WeakPolarHBondContact O-CG1 3.24Å; A244-I249 PolarHBondContact O-N 3.08Å; A244-Y254 HydrophobicContact CB-CD1 4.12Å
245	S	98.6	Very high	98.8	Very high	60 Å²	60	18.3 Å²	18.3	42%	0.42	12%	0.12	S	C	.	.	H	α-helix	trans	-60.5	-47.8	175.2	-170.2	0	0	0	0	111.3	A241 E242 A247 G248	A241-S245 PolarHBondContact O-N 3.01Å; E242-S245 WeakPolarHBondContact O-CB 3.33Å; E242-S245 PolarHBondContact O-N 3.37Å; S245-A247 VanDerWaalsContact C-N 3.31Å; S245-A247 PolarHBondContact O-N 3.46Å; S245-G248 PolarHBondContact O-N 2.98Å
246	Q	98.6	Very high	98.8	Very high	92 Å²	92	18.1 Å²	18.1	43%	0.43	12%	0.119	S	C	.	.	H	α-helix	trans	-64.1	-31.8	177.2	-67.2	178.3	17.8	0	0	113.2	L130 E242 L243 G248	L130-Q246 HydrophobicContact CD1-CB 3.77Å; L130-Q246 HydrophobicContact CD2-CB 4.47Å; E242-Q246 WeakPolarHBondContact O-CG 3.46Å; E242-Q246 PolarHBondContact O-N 2.82Å; E242-Q246 PolarHBondContact OE1-NE2 3.09Å; L243-Q246 PolarHBondContact O-N 3.23Å; Q246-G248 PolarHBondContact O-N 3.47Å
247	A	98.7	Very high	98.8	Very high	6 Å²	6	17.9 Å²	17.9	5%	0.05	12%	0.117	C	C	.	.	H	α-helix	trans	-71.3	-14.5	174.4	0	0	0	0	0	113.9	L123 K126 W127 L130 L243 A244 S245 I249	L123-A247 WeakPolarHBondContact CD2-O 3.15Å; K126-A247 HydrophobicContact CB-CB 4.03Å; K126-A247 WeakPolarHBondContact CD-O 3.31Å; W127-A247 HydrophobicContact CB-CB 3.7Å; W127-A247 HydrophobicContact CG-CB 4.29Å; L130-A247 HydrophobicContact CD1-CB 3.87Å; L243-A247 VanDerWaalsContact O-CB 3.29Å; L243-A247 WeakPolarHBondContact O-CB 3.33Å; L243-A247 PolarHBondContact O-N 3.08Å; A244-A247 PolarHBondContact O-N 3.26Å; S245-A247 VanDerWaalsContact C-N 3.31Å; S245-A247 PolarHBondContact O-N 3.46Å; A247-I249 HydrophobicContact CB-CG1 4.3Å
248	G	98.8	Very high	98.8	Very high	43 Å²	43	18 Å²	18	44%	0.443	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	21.5	-173.5	0	0	0	0	0	114.3	A244 S245 Q246 P250	A244-G248 PolarHBondContact O-N 3.47Å; S245-G248 PolarHBondContact O-N 2.98Å; Q246-G248 PolarHBondContact O-N 3.47Å; G248-P250 WeakPolarHBondContact O-CD 3.32Å
249	I	98.9	Very high	98.8	Very high	15 Å²	15	18 Å²	18	8%	0.077	12%	0.118	C	C	.	.			trans	-60.6	122.1	172.4	-62.8	-70.3	0	0	0	108.5	L123 W127 L219 A244 A247 V253	L123-I249 HydrophobicContact CB-CD1 3.97Å; W127-I249 HydrophobicContact CD2-CG1 4.45Å; W127-I249 HydrophobicContact CE3-CD1 4.06Å; W127-I249 HydrophobicContact CE3-CG1 4.03Å; L219-I249 HydrophobicContact CD2-CD1 4.26Å; L219-I249 HydrophobicContact CD2-CG2 4.46Å; A244-I249 HydrophobicContact CB-CB 4.08Å; A244-I249 HydrophobicContact CB-CG1 4.02Å; A244-I249 VanDerWaalsContact O-CB 3.28Å; A244-I249 WeakPolarHBondContact O-CB 3.36Å; A244-I249 WeakPolarHBondContact O-CG1 3.24Å; A244-I249 PolarHBondContact O-N 3.08Å; A247-I249 HydrophobicContact CB-CG1 4.3Å; I249-V253 HydrophobicContact CG2-CB 3.81Å; I249-V253 HydrophobicContact CG2-CG1 3.85Å
250	P	98.9	Very high	98.8	Very high	54 Å²	54	18.6 Å²	18.6	35%	0.351	12%	0.122	S	C	.	.			trans	-61.9	147.7	-170.7	-26.3	34.8	0	0	0	114.3	W112 G248 G252 V253	W112-P250 HydrophobicContact CE3-CG 3.94Å; W112-P250 HydrophobicContact CZ3-CG 3.86Å; G248-P250 WeakPolarHBondContact O-CD 3.32Å; P250-G252 PolarHBondContact O-N 3.28Å; P250-G252 VanDerWaalsContact O-N 3.14Å; P250-V253 HydrophobicContact CB-CG2 3.89Å; P250-V253 HydrophobicContact CG-CG2 4.29Å; P250-V253 VanDerWaalsContact O-CB 3.32Å; P250-V253 WeakPolarHBondContact O-CB 3.37Å; P250-V253 WeakPolarHBondContact O-CG2 3.42Å; P250-V253 PolarHBondContact O-N 2.94Å
251	S	98.9	Very high	98.7	Very high	81 Å²	81	25.2 Å²	25.2	57%	0.566	15%	0.147	S	C	*	.	B	Isolated β-bridge	trans	-43.8	117	175.2	-73.2	0	0	0	0	112.8	G66 A108	G66-S251 WeakPolarHBondContact O-CB 3.21Å; G66-S251 PolarHBondContact O-OG 3.33Å; A108-S251 WeakPolarHBondContact CB-O 3.48Å
252	G	98.8	Very high	98.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-4.9	178.7	0	0	0	0	0	115.5	A105 A108 P250 N255	A105-G252 WeakPolarHBondContact CA-O 3.4Å; A108-G252 WeakPolarHBondContact CB-O 3.29Å; P250-G252 PolarHBondContact O-N 3.28Å; P250-G252 VanDerWaalsContact O-N 3.14Å; G252-N255 PolarHBondContact O-ND2 2.94Å
253	V	98.9	Very high	98.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-40.1	175.2	172.6	0	0	0	0	111.5	A108 W112 L219 T224 V225 I249 P250	A108-V253 HydrophobicContact CB-CG2 4.16Å; W112-V253 HydrophobicContact CB-CG2 3.88Å; W112-V253 HydrophobicContact CD2-CG1 3.9Å; W112-V253 HydrophobicContact CD2-CG2 3.8Å; W112-V253 HydrophobicContact CE3-CG1 4.49Å; W112-V253 HydrophobicContact CE3-CG2 3.98Å; W112-V253 HydrophobicContact CG-CG1 4.11Å; W112-V253 HydrophobicContact CG-CG2 3.77Å; W112-V253 HydrophobicContact CZ2-CG1 4.14Å; L219-V253 HydrophobicContact CD1-CG1 3.94Å; L219-V253 HydrophobicContact CD2-CG1 3.87Å; L219-V253 HydrophobicContact CG-CG1 3.61Å; T224-V253 HydrophobicContact CG2-CB 4.25Å; T224-V253 HydrophobicContact CG2-CG1 4.27Å; T224-V253 HydrophobicContact CG2-CG2 4.08Å; V225-V253 PolarHBondContact N-O 3.44Å; I249-V253 HydrophobicContact CG2-CB 3.81Å; I249-V253 HydrophobicContact CG2-CG1 3.85Å; P250-V253 HydrophobicContact CB-CG2 3.89Å; P250-V253 HydrophobicContact CG-CG2 4.29Å; P250-V253 VanDerWaalsContact O-CB 3.32Å; P250-V253 WeakPolarHBondContact O-CB 3.37Å; P250-V253 WeakPolarHBondContact O-CG2 3.42Å; P250-V253 PolarHBondContact O-N 2.94Å
254	Y	98.9	Very high	98.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.6	169.3	-177.8	-106.7	0	0	0	109.2	F64 W127 I211 V215 V225 V227 A237 A241 A244 V256	F64-Y254 HydrophobicContact CD1-CD1 4.4Å; F64-Y254 WeakPolarHBondContact CD1-O 3.44Å; F64-Y254 WeakPolarHBondContact CE1-O 3.17Å; W127-Y254 HydrophobicContact CH2-CD1 4.35Å; W127-Y254 AromaticContact CH2-CD2 3.76Å; W127-Y254 HydrophobicContact CH2-CD2 3.76Å; W127-Y254 AromaticContact CH2-CE2 3.95Å; W127-Y254 HydrophobicContact CH2-CE2 3.95Å; W127-Y254 AromaticContact CH2-CG 3.98Å; W127-Y254 HydrophobicContact CH2-CG 3.98Å; W127-Y254 HydrophobicContact CZ2-CE1 4.43Å; W127-Y254 HydrophobicContact CZ2-CE2 4.46Å; I211-Y254 HydrophobicContact CG2-CE2 4.1Å; V215-Y254 HydrophobicContact CG1-CD2 3.67Å; V215-Y254 HydrophobicContact CG1-CE2 3.91Å; V215-Y254 HydrophobicContact CG2-CD2 4.42Å; V215-Y254 HydrophobicContact CG2-CE2 4.08Å; V225-Y254 HydrophobicContact CG2-CD2 3.58Å; V225-Y254 HydrophobicContact CG2-CE2 4.32Å; V225-Y254 HydrophobicContact CG2-CG 4.41Å; V227-Y254 HydrophobicContact CG2-CD2 4.31Å; V227-Y254 HydrophobicContact CG2-CE2 3.69Å; A237-Y254 PolarHBondContact O-OH 3.24Å; A241-Y254 VanDerWaalsContact CA-CE1 3.48Å; A241-Y254 HydrophobicContact CB-CD1 4Å; A241-Y254 HydrophobicContact CB-CE1 3.59Å; A244-Y254 HydrophobicContact CB-CD1 4.12Å; Y254-V256 HydrophobicContact CD1-CG2 4.08Å; Y254-V256 HydrophobicContact CE1-CG2 3.28Å; Y254-V256 HydrophobicContact CE2-CG2 4.4Å; Y254-V256 VanDerWaalsContact CZ-CG2 3.48Å; Y254-V256 WeakPolarHBondContact OH-CG2 3.43Å
255	N	98.9	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.7	176.2	-49.2	-94	0	0	0	109.1	F64 G66 A101 V225 V227 G252	F64-N255 CarbonylContact O-C 3.58Å; F64-N255 WeakPolarHBondContact O-CA 2.98Å; F64-N255 WeakPolarHBondContact O-CB 3.43Å; G66-N255 PolarHBondContact N-OD1 2.99Å; A101-N255 HydrophobicContact CB-CB 4.38Å; V225-N255 PolarHBondContact O-N 2.83Å; V225-N255 PolarHBondContact O-ND2 3.14Å; V227-N255 WeakPolarHBondContact CB-O 3.41Å; V227-N255 PolarHBondContact N-O 3.07Å; G252-N255 PolarHBondContact O-ND2 2.94Å
256	V	98.9	Very high	98.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.5	178.9	-168.1	0	0	0	0	109.5	S63 F64 V227 P229 A237 L238 A241 Y254 P258	S63-V256 WeakPolarHBondContact CB-O 3.36Å; F64-V256 HydrophobicContact CB-CB 4.38Å; F64-V256 PolarHBondContact N-O 3.27Å; F64-V256 PolarHBondContact O-N 3.4Å; V227-V256 HydrophobicContact CB-CG2 4.41Å; V227-V256 CarbonylContact O-C 3.6Å; V227-V256 WeakPolarHBondContact O-CA 3.36Å; P229-V256 HydrophobicContact CG-CG1 4.14Å; A237-V256 HydrophobicContact CB-CG1 3.78Å; L238-V256 HydrophobicContact CD2-CB 3.78Å; L238-V256 HydrophobicContact CD2-CG1 3.59Å; L238-V256 HydrophobicContact CG-CG1 4.46Å; A241-V256 HydrophobicContact CB-CG2 4.14Å; Y254-V256 HydrophobicContact CD1-CG2 4.08Å; Y254-V256 HydrophobicContact CE1-CG2 3.28Å; Y254-V256 HydrophobicContact CE2-CG2 4.4Å; Y254-V256 VanDerWaalsContact CZ-CG2 3.48Å; Y254-V256 WeakPolarHBondContact OH-CG2 3.43Å; V256-P258 HydrophobicContact CG1-CG 4.42Å
257	I	98.9	Very high	98.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.			trans	-122	84.5	178.9	46.5	166	0	0	0	109.7	V65 C93 A98 A101 V226 V227 V267 I271	V65-I257 HydrophobicContact CG2-CG2 4Å; C93-I257 HydrophobicContact CB-CB 4.12Å; C93-I257 HydrophobicContact CB-CG2 4.5Å; A98-I257 HydrophobicContact CB-CD1 3.91Å; A101-I257 HydrophobicContact CB-CG2 3.81Å; V226-I257 HydrophobicContact CG1-CD1 3.56Å; V226-I257 HydrophobicContact CG1-CG1 3.81Å; V227-I257 WeakPolarHBondContact O-CG1 3.38Å; V227-I257 PolarHBondContact O-N 2.87Å; I257-V267 HydrophobicContact CD1-CG1 3.88Å; I257-I271 HydrophobicContact CD1-CG2 3.92Å
258	P	98.9	Very high	98.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.219	C	C	.	.			trans	-60.7	142.3	171.1	-16.3	30.2	0	0	0	110.1	F76 V90 A91 C93 P229 P234 L238 V256	F76-P258 HydrophobicContact CE1-CB 4.05Å; F76-P258 HydrophobicContact CZ-CB 4.03Å; V90-P258 HydrophobicContact CG1-CB 3.56Å; V90-P258 HydrophobicContact CG1-CG 3.83Å; A91-P258 CarbonylContact O-C 3.6Å; C93-P258 WeakPolarHBondContact CB-O 3.24Å; C93-P258 PolarHBondContact N-O 3.4Å; C93-P258 PolarHBondContact SG-O 3.42Å; P229-P258 HydrophobicContact CG-CB 4.36Å; P229-P258 HydrophobicContact CG-CG 4.47Å; P234-P258 HydrophobicContact CB-CB 4.13Å; P234-P258 HydrophobicContact CB-CG 4.49Å; L238-P258 HydrophobicContact CD1-CG 4Å; L238-P258 HydrophobicContact CD2-CG 3.86Å; L238-P258 HydrophobicContact CG-CG 4.28Å; V256-P258 HydrophobicContact CG1-CG 4.42Å
259	C	98.7	Very high	98.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.			trans	-153.9	147.7	171.9	75.8	0	0	0	0	109.9	D92 C93 K228 E231 N263 V267	D92-C259 VanDerWaalsContact OD1-CA 3.26Å; D92-C259 WeakPolarHBondContact OD1-CA 3.3Å; C93-C259 HydrophobicContact CB-CB 4.39Å; C93-C259 VanDerWaalsContact O-CB 3.22Å; C93-C259 WeakPolarHBondContact O-CB 3.09Å; K228-C259 WeakPolarHBondContact CE-SG 3.44Å; K228-C259 PolarHBondContact NZ-O 3.47Å; E231-C259 WeakPolarHBondContact CB-O 3.18Å; C259-N263 HydrophobicContact CB-CB 3.88Å; C259-V267 HydrophobicContact CB-CG2 4.06Å
260	S	98.6	Very high	98.5	Very high	13 Å²	13	44.1 Å²	44.1	9%	0.091	22%	0.218	C	C	.	.			trans	-71.3	170	-178.4	75	0	0	0	0	112.3	D92 K262 N263 A264	D92-S260 PolarHBondContact OD1-N 2.9Å; D92-S260 PolarHBondContact OD1-OG 2.95Å; D92-S260 WeakPolarHBondContact OD2-CB 3.18Å; D92-S260 PolarHBondContact OD2-OG 2.87Å; S260-K262 PolarHBondContact O-N 3.13Å; S260-K262 PolarHBondContact OG-N 2.71Å; S260-N263 PolarHBondContact O-N 2.64Å; S260-N263 VanDerWaalsContact O-N 3.09Å; S260-A264 WeakPolarHBondContact O-CB 3.21Å; S260-A264 PolarHBondContact O-N 3.47Å
261	R	96.4	Very high	98.5	Very high	140 Å²	140	41.5 Å²	41.5	53%	0.528	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.4	173.9	-165.1	160.7	-66.8	144.6	7.2	114.4	E231 D232	E231-R261 HydrophobicContact CG-CB 4.14Å; E231-R261 WeakPolarHBondContact OE1-CB 3.34Å; E231-R261 IonicContact OE1-CZ 3.09Å; E231-R261 VanDerWaalsContact OE1-CZ 3.32Å; E231-R261 IonicContact OE1-NE 3.46Å; E231-R261 PolarHBondContact OE1-NE 3.43Å; E231-R261 IonicContact OE1-NH2 3.78Å; E231-R261 PolarHBondContact OE1-NH2 2.77Å; D232-R261 IonicContact OD1-CZ 3.34Å; D232-R261 IonicContact OD1-NH2 2.69Å; D232-R261 PolarHBondContact OD1-NH2 3.42Å; D232-R261 IonicContact OD2-NH2 2.72Å; D232-R261 PolarHBondContact OD2-NH2 3.22Å
262	K	97.4	Very high	98.5	Very high	177 Å²	177	37.7 Å²	37.7	77%	0.77	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-54.9	174.4	-64	178.5	179.6	177.2	0	110.5	S260 A264	S260-K262 PolarHBondContact O-N 3.13Å; S260-K262 PolarHBondContact OG-N 2.71Å; K262-A264 VanDerWaalsContact C-N 3.33Å; K262-A264 PolarHBondContact O-N 3.11Å
263	N	98.3	Very high	98.5	Very high	36 Å²	36	39.9 Å²	39.9	19%	0.193	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.6	-176.5	-69	6.2	0	0	0	112.9	D92 C93 C259 S260 K265 E266 V267	D92-N263 PolarHBondContact OD1-ND2 3.11Å; C93-N263 WeakPolarHBondContact O-CB 3.33Å; C93-N263 PolarHBondContact O-ND2 3.48Å; C259-N263 HydrophobicContact CB-CB 3.88Å; S260-N263 PolarHBondContact O-N 2.64Å; S260-N263 VanDerWaalsContact O-N 3.09Å; N263-K265 PolarHBondContact O-N 2.89Å; N263-K265 VanDerWaalsContact O-N 3.08Å; N263-E266 PolarHBondContact O-N 2.92Å; N263-E266 VanDerWaalsContact O-N 3.09Å; N263-V267 HydrophobicContact CB-CG2 4.15Å; N263-V267 WeakPolarHBondContact O-CB 3.45Å; N263-V267 WeakPolarHBondContact O-CG2 3.36Å; N263-V267 PolarHBondContact O-N 2.87Å
264	A	98.1	Very high	98.5	Very high	26 Å²	26	40.7 Å²	40.7	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-52.9	-32.6	-175.8	0	0	0	0	0	114.8	S260 K262 G268	S260-A264 WeakPolarHBondContact O-CB 3.21Å; S260-A264 PolarHBondContact O-N 3.47Å; K262-A264 VanDerWaalsContact C-N 3.33Å; K262-A264 PolarHBondContact O-N 3.11Å; A264-G268 PolarHBondContact O-N 2.76Å; A264-G268 VanDerWaalsContact O-N 3.13Å
265	K	98.3	Very high	98.5	Very high	179 Å²	179	46.1 Å²	46.1	78%	0.778	23%	0.227	S	C	*	.	H	α-helix	trans	-68.9	-58.3	173.2	-71	-173.4	176.2	-174.8	0	111.5	N263 V267 G268 E269	N263-K265 PolarHBondContact O-N 2.89Å; N263-K265 VanDerWaalsContact O-N 3.08Å; K265-V267 VanDerWaalsContact C-N 3.34Å; K265-V267 PolarHBondContact O-N 2.86Å; K265-G268 PolarHBondContact O-N 3.03Å; K265-E269 WeakPolarHBondContact O-CB 3.24Å; K265-E269 PolarHBondContact O-N 3.16Å
266	E	98.5	Very high	98.5	Very high	109 Å²	109	48.4 Å²	48.4	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-37.9	-174.8	-54.1	-175.2	170.2	0	0	112.3	V95 N263 A270	V95-E266 HydrophobicContact CG2-CB 3.65Å; N263-E266 PolarHBondContact O-N 2.92Å; N263-E266 VanDerWaalsContact O-N 3.09Å; E266-A270 WeakPolarHBondContact O-CB 3.23Å; E266-A270 PolarHBondContact O-N 2.8Å
267	V	98.8	Very high	98.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.2	-43.9	175.4	171.7	0	0	0	0	111.1	C93 A98 K228 I257 C259 N263 K265 A270 I271	C93-V267 VanDerWaalsContact O-CG2 3.31Å; C93-V267 WeakPolarHBondContact O-CG2 3.3Å; A98-V267 HydrophobicContact CB-CG1 4.2Å; K228-V267 HydrophobicContact CG-CG1 3.96Å; I257-V267 HydrophobicContact CD1-CG1 3.88Å; C259-V267 HydrophobicContact CB-CG2 4.06Å; N263-V267 HydrophobicContact CB-CG2 4.15Å; N263-V267 WeakPolarHBondContact O-CB 3.45Å; N263-V267 WeakPolarHBondContact O-CG2 3.36Å; N263-V267 PolarHBondContact O-N 2.87Å; K265-V267 VanDerWaalsContact C-N 3.34Å; K265-V267 PolarHBondContact O-N 2.86Å; V267-A270 PolarHBondContact O-N 3Å; V267-I271 WeakPolarHBondContact O-CG1 3.41Å; V267-I271 PolarHBondContact O-N 3.38Å
268	G	98.6	Very high	98.5	Very high	5 Å²	5	50.6 Å²	50.6	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-48.4	176.5	0	0	0	0	0	111.8	A264 K265 A270 C272	A264-G268 PolarHBondContact O-N 2.76Å; A264-G268 VanDerWaalsContact O-N 3.13Å; K265-G268 PolarHBondContact O-N 3.03Å; G268-A270 PolarHBondContact O-N 2.84Å; G268-C272 WeakPolarHBondContact O-CB 3.19Å; G268-C272 PolarHBondContact O-N 3.05Å; G268-C272 PolarHBondContact O-SG 2.96Å; G268-C272 VanDerWaalsContact O-SG 3.33Å
269	E	98.8	Very high	98.5	Very high	97 Å²	97	50.6 Å²	50.6	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-48.9	172.1	174.7	168	-164.9	0	0	111.4	K265 I271 C272 T273 H295	K265-E269 WeakPolarHBondContact O-CB 3.24Å; K265-E269 PolarHBondContact O-N 3.16Å; E269-I271 PolarHBondContact O-N 2.79Å; E269-C272 CarbonylContact O-C 3.6Å; E269-C272 PolarHBondContact O-N 3.16Å; E269-T273 HydrophobicContact CG-CG2 4.06Å; E269-T273 WeakPolarHBondContact O-CB 3.27Å; E269-T273 WeakPolarHBondContact O-CG2 3.12Å; E269-T273 PolarHBondContact O-N 2.87Å; E269-T273 PolarHBondContact O-OG1 2.79Å; E269-H295 VanDerWaalsContact CG-CE1 3.5Å; E269-H295 WeakPolarHBondContact CG-CE1 3.42Å; E269-H295 IonicContact OE1-CE1 2.66Å
270	A	98.9	Very high	98.5	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-57.3	-49.3	-178.3	0	0	0	0	0	112.5	V95 A98 E266 V267 G268 T273 D274	V95-A270 HydrophobicContact CG1-CB 4.02Å; V95-A270 HydrophobicContact CG2-CB 4.41Å; A98-A270 HydrophobicContact CB-CB 4.28Å; E266-A270 WeakPolarHBondContact O-CB 3.23Å; E266-A270 PolarHBondContact O-N 2.8Å; V267-A270 PolarHBondContact O-N 3Å; G268-A270 PolarHBondContact O-N 2.84Å; A270-T273 PolarHBondContact O-OG1 3.33Å; A270-D274 WeakPolarHBondContact O-CB 3.2Å; A270-D274 PolarHBondContact O-N 2.86Å
271	I	98.9	Very high	98.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-76.7	-22.5	-179.6	69.1	-177.1	0	0	0	113.3	A98 V102 A199 I201 V226 K228 I257 V267 E269 V277	A98-I271 HydrophobicContact CB-CG2 3.9Å; V102-I271 HydrophobicContact CG2-CB 4.44Å; V102-I271 HydrophobicContact CG2-CG2 4.02Å; A199-I271 HydrophobicContact CB-CB 4.05Å; A199-I271 HydrophobicContact CB-CD1 4.06Å; A199-I271 HydrophobicContact CB-CG1 3.88Å; I201-I271 HydrophobicContact CD1-CD1 4.05Å; I201-I271 HydrophobicContact CD1-CG1 4.37Å; I201-I271 HydrophobicContact CG1-CD1 3.99Å; V226-I271 HydrophobicContact CG1-CG2 4.3Å; K228-I271 HydrophobicContact CB-CD1 4.02Å; I257-I271 HydrophobicContact CD1-CG2 3.92Å; V267-I271 WeakPolarHBondContact O-CG1 3.41Å; V267-I271 PolarHBondContact O-N 3.38Å; E269-I271 PolarHBondContact O-N 2.79Å; I271-V277 WeakPolarHBondContact O-CG2 3.41Å
272	C	98.8	Very high	98.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-90	-7.5	176	-66	0	0	0	0	114.1	G268 E269 I280 L292 H295 K301	G268-C272 WeakPolarHBondContact O-CB 3.19Å; G268-C272 PolarHBondContact O-N 3.05Å; G268-C272 PolarHBondContact O-SG 2.96Å; G268-C272 VanDerWaalsContact O-SG 3.33Å; E269-C272 CarbonylContact O-C 3.6Å; E269-C272 PolarHBondContact O-N 3.16Å; C272-I280 HydrophobicContact CB-CD1 3.64Å; C272-I280 HydrophobicContact CB-CG1 4.29Å; C272-L292 HydrophobicContact CB-CD2 4.36Å; C272-H295 HydrophobicContact CB-CB 3.97Å; C272-K301 WeakPolarHBondContact O-CE 3.46Å
273	T	98.9	Very high	98.7	Very high	47 Å²	47	35.6 Å²	35.6	29%	0.288	19%	0.192	S	C	.	.	H	α-helix	trans	-111.5	-27.2	175.8	56.3	0	0	0	0	114	E269 A270 H295	E269-T273 HydrophobicContact CG-CG2 4.06Å; E269-T273 WeakPolarHBondContact O-CB 3.27Å; E269-T273 WeakPolarHBondContact O-CG2 3.12Å; E269-T273 PolarHBondContact O-N 2.87Å; E269-T273 PolarHBondContact O-OG1 2.79Å; A270-T273 PolarHBondContact O-OG1 3.33Å; T273-H295 HydrophobicContact CG2-CB 3.91Å
274	D	98.9	Very high	98.7	Very high	19 Å²	19	34.9 Å²	34.9	10%	0.102	19%	0.193	C	C	.	.			trans	-53.5	131.1	-176.1	-167.1	-65.5	0	0	0	112	V102 A270 L276 V277 K301	V102-D274 HydrophobicContact CG1-CB 4.19Å; A270-D274 WeakPolarHBondContact O-CB 3.2Å; A270-D274 PolarHBondContact O-N 2.86Å; D274-L276 PolarHBondContact O-N 3.45Å; D274-L276 WeakPolarHBondContact OD1-CB 3.26Å; D274-L276 PolarHBondContact OD1-N 2.92Å; D274-V277 HydrophobicContact CB-CG2 4.44Å; D274-V277 PolarHBondContact O-N 2.71Å; D274-V277 VanDerWaalsContact O-N 3.13Å; D274-K301 PolarHBondContact O-NZ 3Å
275	P	98.8	Very high	98.6	Very high	115 Å²	115	36.3 Å²	36.3	75%	0.747	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.2	-175	27.3	-36.5	0	0	0	114.2	V277	P275-V277 VanDerWaalsContact C-N 3.33Å
276	L	98.9	Very high	98.5	Very high	48 Å²	48	29 Å²	29	25%	0.251	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.1	175.9	-57.6	179.3	0	0	0	113.2	V102 R103 Y106 V197 D274	V102-L276 HydrophobicContact CG1-CB 3.74Å; V102-L276 HydrophobicContact CG1-CD1 4.43Å; R103-L276 HydrophobicContact CG-CD1 3.96Å; Y106-L276 HydrophobicContact CD1-CD1 4.45Å; Y106-L276 HydrophobicContact CD1-CD2 4.16Å; Y106-L276 HydrophobicContact CD2-CB 3.86Å; Y106-L276 HydrophobicContact CD2-CD2 3.9Å; Y106-L276 HydrophobicContact CD2-CG 4.34Å; Y106-L276 HydrophobicContact CE1-CD2 4.15Å; Y106-L276 HydrophobicContact CE2-CD2 3.88Å; Y106-L276 HydrophobicContact CG-CB 4.15Å; Y106-L276 HydrophobicContact CG-CD1 4.19Å; Y106-L276 HydrophobicContact CG-CD2 4.04Å; Y106-L276 HydrophobicContact CG-CG 4.36Å; V197-L276 WeakPolarHBondContact CB-O 3.44Å; D274-L276 PolarHBondContact O-N 3.45Å; D274-L276 WeakPolarHBondContact OD1-CB 3.26Å; D274-L276 PolarHBondContact OD1-N 2.92Å
277	V	98.9	Very high	98.3	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.3	174	179.5	0	0	0	0	110	V102 V197 A199 I271 D274 P275 K279 K301	V102-V277 HydrophobicContact CB-CG2 4.42Å; V102-V277 HydrophobicContact CG1-CG2 3.71Å; V102-V277 HydrophobicContact CG2-CG2 3.79Å; V197-V277 HydrophobicContact CG1-CG2 4.21Å; A199-V277 HydrophobicContact CB-CG1 3.85Å; I271-V277 WeakPolarHBondContact O-CG2 3.41Å; D274-V277 HydrophobicContact CB-CG2 4.44Å; D274-V277 PolarHBondContact O-N 2.71Å; D274-V277 VanDerWaalsContact O-N 3.13Å; P275-V277 VanDerWaalsContact C-N 3.33Å; V277-K279 WeakPolarHBondContact CG1-O 3.36Å; V277-K301 HydrophobicContact CG1-CD 4.32Å; V277-K301 WeakPolarHBondContact O-CD 3.16Å; V277-K301 WeakPolarHBondContact O-CE 3.33Å; V277-K301 PolarHBondContact O-NZ 2.75Å
278	S	98.9	Very high	98.3	Very high	45 Å²	45	31.3 Å²	31.3	32%	0.315	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-22.5	-176	-58.5	0	0	0	0	113.3	I195 V197 R302	I195-S278 VanDerWaalsContact CG2-CB 3.42Å; V197-S278 PolarHBondContact O-N 3.24Å; S278-R302 PolarHBondContact O-N 2.92Å
279	K	98.9	Very high	98.3	Very high	1 Å²	1	31 Å²	31	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.5	178.5	173.9	69.5	178.4	-162.4	0	110.7	I195 V197 A198 A199 V277 R302 S304 E523 Y524	I195-K279 HydrophobicContact CD1-CD 4.37Å; I195-K279 HydrophobicContact CG2-CB 4.05Å; V197-K279 PolarHBondContact O-N 3.13Å; A198-K279 CarbonylContact C-O 3.55Å; A198-K279 VanDerWaalsContact CA-O 3.28Å; A198-K279 WeakPolarHBondContact CA-O 3.42Å; A198-K279 HydrophobicContact CB-CB 3.88Å; A198-K279 HydrophobicContact CB-CG 3.94Å; A199-K279 PolarHBondContact N-O 3.08Å; V277-K279 WeakPolarHBondContact CG1-O 3.36Å; K279-R302 CarbonylContact C-O 3.53Å; K279-R302 VanDerWaalsContact CA-O 3.32Å; K279-R302 WeakPolarHBondContact CA-O 3.34Å; K279-R302 HydrophobicContact CD-CB 3.82Å; K279-S304 WeakPolarHBondContact CE-OG 3.48Å; K279-S304 PolarHBondContact NZ-OG 3.43Å; K279-S304 VanDerWaalsContact NZ-OG 3.16Å; K279-E523 WeakPolarHBondContact CD-O 3.34Å; K279-E523 WeakPolarHBondContact CE-O 3.49Å; K279-E523 PolarHBondContact NZ-O 3.19Å; K279-E523 IonicContact NZ-OE2 3.06Å; K279-E523 PolarHBondContact NZ-OE2 2.85Å; K279-Y524 HydrophobicContact CG-CD1 4.06Å; K279-Y524 HydrophobicContact CG-CE1 3.93Å
280	I	98.9	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.9	162.8	-63.8	158.3	0	0	0	108.1	A199 C272 A296 K301 R302 V303 S304	A199-I280 HydrophobicContact CB-CG1 4.32Å; A199-I280 CarbonylContact O-C 3.59Å; A199-I280 WeakPolarHBondContact O-CA 3.49Å; C272-I280 HydrophobicContact CB-CD1 3.64Å; C272-I280 HydrophobicContact CB-CG1 4.29Å; I280-A296 HydrophobicContact CD1-CB 3.64Å; I280-K301 HydrophobicContact CD1-CB 4.43Å; I280-K301 HydrophobicContact CD1-CD 4Å; I280-K301 HydrophobicContact CG1-CD 4.32Å; I280-R302 PolarHBondContact N-O 2.85Å; I280-V303 HydrophobicContact CB-CG2 4.43Å; I280-V303 CarbonylContact O-C 3.51Å; I280-V303 WeakPolarHBondContact O-CA 3.26Å; I280-S304 PolarHBondContact O-N 3.38Å
281	S	98.9	Very high	98.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.3	160.5	176.9	0	0	0	0	109.7	A199 V200 I201 K214 S304 E515 Y524	A199-S281 PolarHBondContact O-N 3.11Å; V200-S281 WeakPolarHBondContact CA-O 3.39Å; I201-S281 PolarHBondContact N-O 2.81Å; K214-S281 VanDerWaalsContact CD-OG 3.3Å; K214-S281 WeakPolarHBondContact CD-OG 3.42Å; K214-S281 PolarHBondContact NZ-OG 3.5Å; S281-S304 WeakPolarHBondContact CA-O 3.36Å; S281-E515 PolarHBondContact OG-OE1 3.43Å; S281-Y524 WeakPolarHBondContact CB-OH 3.31Å
282	F	98.9	Very high	98.3	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.6	-179.5	166.3	-111.8	0	0	0	111.2	I201 G284 T288 L292 S304 M305 E306 L307	I201-F282 HydrophobicContact CB-CD2 3.83Å; I201-F282 HydrophobicContact CG2-CD2 3.72Å; I201-F282 HydrophobicContact CG2-CE2 4.09Å; I201-F282 WeakPolarHBondContact O-CA 3.49Å; F282-G284 VanDerWaalsContact CZ-CA 3.46Å; F282-T288 HydrophobicContact CE1-CG2 4.25Å; F282-T288 HydrophobicContact CE2-CG2 3.87Å; F282-T288 HydrophobicContact CZ-CG2 3.56Å; F282-L292 HydrophobicContact CB-CD1 3.91Å; F282-L292 HydrophobicContact CD1-CD1 3.93Å; F282-L292 HydrophobicContact CD2-CD1 3.65Å; F282-L292 HydrophobicContact CE1-CD1 4.37Å; F282-L292 HydrophobicContact CE2-CD1 4.1Å; F282-L292 HydrophobicContact CG-CD1 3.54Å; F282-L292 HydrophobicContact CZ-CD1 4.44Å; F282-S304 PolarHBondContact N-O 2.62Å; F282-S304 VanDerWaalsContact N-O 3.16Å; F282-M305 HydrophobicContact CB-CE 4.18Å; F282-M305 HydrophobicContact CB-CG 4.18Å; F282-M305 HydrophobicContact CD1-CE 4.19Å; F282-M305 HydrophobicContact CD1-CG 4.24Å; F282-M305 HydrophobicContact CD1-SD 4.19Å; F282-M305 WeakPolarHBondContact O-CA 3.43Å; F282-E306 PolarHBondContact O-N 3.13Å; F282-L307 HydrophobicContact CD1-CD2 3.69Å; F282-L307 HydrophobicContact CE1-CD2 3.5Å; F282-L307 VanDerWaalsContact CE1-CD2 3.5Å
283	T	98.7	Very high	98.3	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.1	161	-60.6	0	0	0	0	110.1	I201 P203 M210 R213 K214 E306	I201-T283 PolarHBondContact O-N 2.66Å; P203-T283 VanDerWaalsContact CD-O 3.3Å; P203-T283 WeakPolarHBondContact CD-O 3.27Å; P203-T283 HydrophobicContact CG-CG2 3.95Å; M210-T283 HydrophobicContact SD-CG2 3.69Å; R213-T283 PolarHBondContact NH2-OG1 2.87Å; K214-T283 VanDerWaalsContact CE-OG1 3.24Å; K214-T283 WeakPolarHBondContact CE-OG1 3.34Å; K214-T283 PolarHBondContact NZ-OG1 3.24Å; T283-E306 VanDerWaalsContact CA-O 3.27Å; T283-E306 WeakPolarHBondContact CA-O 3.26Å; T283-E306 HydrophobicContact CG2-CB 3.94Å; T283-E306 HydrophobicContact CG2-CG 4.11Å; T283-E306 WeakPolarHBondContact CG2-OE1 3.47Å
284	G	96.8	Very high	98.3	Very high	21 Å²	21	42.7 Å²	42.7	22%	0.216	24%	0.243	C	C	.	.	S	Bend	trans	155.5	-155.4	178.5	0	0	0	0	0	112.8	F282 E306 L307	F282-G284 VanDerWaalsContact CZ-CA 3.46Å; G284-E306 PolarHBondContact N-O 2.85Å; G284-E306 VanDerWaalsContact N-O 3.14Å; G284-L307 WeakPolarHBondContact O-CA 3.16Å
285	S	95.9	Very high	98.3	Very high	56 Å²	56	43.3 Å²	43.3	39%	0.392	25%	0.245	S	C	.	.			trans	-68	144.3	-174.8	64	0	0	0	0	113.5	T287 T288 G289	S285-T287 PolarHBondContact O-N 3.49Å; S285-T288 PolarHBondContact O-N 3.03Å; S285-T288 PolarHBondContact OG-OG1 3.41Å; S285-G289 PolarHBondContact O-N 2.98Å
286	T	96	Very high	98.3	Very high	25 Å²	25	38 Å²	38	15%	0.153	21%	0.211	C	C	.	.	H	α-helix	trans	-56.4	-34.6	179.9	-48	0	0	0	0	112.8	G289 K290 L307 G308 Q509	T286-G289 PolarHBondContact O-N 3.05Å; T286-K290 WeakPolarHBondContact O-CG 3.15Å; T286-K290 PolarHBondContact O-N 3.31Å; T286-L307 HydrophobicContact CG2-CD1 4.22Å; T286-G308 PolarHBondContact OG1-N 3.33Å; T286-Q509 HydrophobicContact CG2-CB 4.38Å
287	T	96.2	Very high	98.3	Very high	102 Å²	102	39 Å²	39	63%	0.626	23%	0.226	S	C	*	.	H	α-helix	trans	-59.9	-47.3	174.4	-48	0	0	0	0	112.2	S285 I291	S285-T287 PolarHBondContact O-N 3.49Å; T287-I291 WeakPolarHBondContact O-CG1 3.42Å; T287-I291 PolarHBondContact O-N 3.44Å
288	T	98.3	Very high	98.2	Very high	56 Å²	56	45.3 Å²	45.3	34%	0.344	26%	0.26	S	S	.	.	H	α-helix	trans	-68.6	-39.9	176.8	-58.7	0	0	0	0	110.7	F282 S285 K290 I291 L292	F282-T288 HydrophobicContact CE1-CG2 4.25Å; F282-T288 HydrophobicContact CE2-CG2 3.87Å; F282-T288 HydrophobicContact CZ-CG2 3.56Å; S285-T288 PolarHBondContact O-N 3.03Å; S285-T288 PolarHBondContact OG-OG1 3.41Å; T288-K290 PolarHBondContact O-N 2.87Å; T288-I291 PolarHBondContact O-N 3.15Å; T288-L292 HydrophobicContact CG2-CD1 4.01Å; T288-L292 HydrophobicContact CG2-CG 4.26Å; T288-L292 WeakPolarHBondContact O-CG 3.41Å; T288-L292 PolarHBondContact O-N 2.89Å
289	G	98.4	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.3	-47.8	175.2	0	0	0	0	0	113	S285 T286 I291 L292 L293 M305	S285-G289 PolarHBondContact O-N 2.98Å; T286-G289 PolarHBondContact O-N 3.05Å; G289-I291 PolarHBondContact O-N 3.21Å; G289-L292 PolarHBondContact O-N 2.9Å; G289-L293 WeakPolarHBondContact O-CG 3.43Å; G289-L293 PolarHBondContact O-N 3.44Å; G289-M305 WeakPolarHBondContact O-CE 3.34Å
290	K	98.5	Very high	98.2	Very high	100 Å²	100	51.9 Å²	51.9	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-40.7	176.4	-72	177.4	178.9	179.8	0	112.5	T286 T288 L293 H294	T286-K290 WeakPolarHBondContact O-CG 3.15Å; T286-K290 PolarHBondContact O-N 3.31Å; T288-K290 PolarHBondContact O-N 2.87Å; K290-L293 PolarHBondContact O-N 3.13Å; K290-H294 PolarHBondContact O-CD2 3.15Å; K290-H294 PolarHBondContact O-N 2.96Å; K290-H294 VanDerWaalsContact O-N 3.12Å
291	I	98.8	Very high	98.2	Very high	86 Å²	86	52.9 Å²	52.9	44%	0.441	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-46.7	174.4	-66.9	164.3	0	0	0	111.1	T287 T288 G289 L293 H294 H295	T287-I291 WeakPolarHBondContact O-CG1 3.42Å; T287-I291 PolarHBondContact O-N 3.44Å; T288-I291 PolarHBondContact O-N 3.15Å; G289-I291 PolarHBondContact O-N 3.21Å; I291-L293 VanDerWaalsContact C-N 3.32Å; I291-L293 PolarHBondContact O-N 3.2Å; I291-H294 PolarHBondContact O-N 2.79Å; I291-H294 VanDerWaalsContact O-N 3.16Å; I291-H295 WeakPolarHBondContact CG2-NE2 3.24Å; I291-H295 PolarHBondContact O-CD2 3.15Å; I291-H295 PolarHBondContact O-N 2.75Å; I291-H295 VanDerWaalsContact O-N 3.11Å
292	L	98.8	Very high	98.2	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-32.3	178.8	-63.5	176.5	0	0	0	112.7	I201 C272 F282 T288 G289 H295 A296 M305	I201-L292 HydrophobicContact CD1-CD1 3.98Å; I201-L292 HydrophobicContact CD1-CD2 4.13Å; C272-L292 HydrophobicContact CB-CD2 4.36Å; F282-L292 HydrophobicContact CB-CD1 3.91Å; F282-L292 HydrophobicContact CD1-CD1 3.93Å; F282-L292 HydrophobicContact CD2-CD1 3.65Å; F282-L292 HydrophobicContact CE1-CD1 4.37Å; F282-L292 HydrophobicContact CE2-CD1 4.1Å; F282-L292 HydrophobicContact CG-CD1 3.54Å; F282-L292 HydrophobicContact CZ-CD1 4.44Å; T288-L292 HydrophobicContact CG2-CD1 4.01Å; T288-L292 HydrophobicContact CG2-CG 4.26Å; T288-L292 WeakPolarHBondContact O-CG 3.41Å; T288-L292 PolarHBondContact O-N 2.89Å; G289-L292 PolarHBondContact O-N 2.9Å; L292-H295 PolarHBondContact O-N 3.09Å; L292-A296 WeakPolarHBondContact O-CB 3.43Å; L292-A296 PolarHBondContact O-N 3.47Å; L292-M305 HydrophobicContact CB-CE 3.62Å; L292-M305 HydrophobicContact CD1-CE 4.5Å
293	L	98.8	Very high	98.2	Very high	59 Å²	59	57.4 Å²	57.4	31%	0.309	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-41.5	170.6	-76.5	166.3	0	0	0	112.2	G289 K290 I291 H295 A296 A297 V303 M305 L512	G289-L293 WeakPolarHBondContact O-CG 3.43Å; G289-L293 PolarHBondContact O-N 3.44Å; K290-L293 PolarHBondContact O-N 3.13Å; I291-L293 VanDerWaalsContact C-N 3.32Å; I291-L293 PolarHBondContact O-N 3.2Å; L293-H295 VanDerWaalsContact C-N 3.35Å; L293-H295 PolarHBondContact O-N 3.27Å; L293-A296 PolarHBondContact O-N 2.96Å; L293-A297 WeakPolarHBondContact O-CB 3.45Å; L293-A297 PolarHBondContact O-N 3.03Å; L293-V303 HydrophobicContact CD2-CB 4.31Å; L293-V303 HydrophobicContact CD2-CG1 3.89Å; L293-V303 HydrophobicContact CD2-CG2 4.25Å; L293-M305 HydrophobicContact CD1-SD 4.08Å; L293-M305 HydrophobicContact CD2-CE 4.35Å; L293-M305 HydrophobicContact CD2-SD 4.29Å; L293-M305 HydrophobicContact CG-CE 3.93Å; L293-M305 HydrophobicContact CG-SD 3.84Å; L293-L512 HydrophobicContact CD2-CD1 3.92Å
294	H	98.8	Very high	98.2	Very high	140 Å²	140	57.2 Å²	57.2	65%	0.648	32%	0.323	S	S	*	.	H	α-helix	trans	-63.4	-38.5	174.2	-72.8	-65.6	0	0	0	112.3	K290 I291 N298	K290-H294 PolarHBondContact O-CD2 3.15Å; K290-H294 PolarHBondContact O-N 2.96Å; K290-H294 VanDerWaalsContact O-N 3.12Å; I291-H294 PolarHBondContact O-N 2.79Å; I291-H294 VanDerWaalsContact O-N 3.16Å; H294-N298 PolarHBondContact O-ND2 3.41Å
295	H	98.7	Very high	98.3	Very high	32 Å²	32	56.4 Å²	56.4	15%	0.148	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-43.7	172.7	-65.5	-59.3	0	0	0	112	E269 C272 T273 I291 L292 L293 A297	E269-H295 VanDerWaalsContact CG-CE1 3.5Å; E269-H295 WeakPolarHBondContact CG-CE1 3.42Å; E269-H295 IonicContact OE1-CE1 2.66Å; C272-H295 HydrophobicContact CB-CB 3.97Å; T273-H295 HydrophobicContact CG2-CB 3.91Å; I291-H295 WeakPolarHBondContact CG2-NE2 3.24Å; I291-H295 PolarHBondContact O-CD2 3.15Å; I291-H295 PolarHBondContact O-N 2.75Å; I291-H295 VanDerWaalsContact O-N 3.11Å; L292-H295 PolarHBondContact O-N 3.09Å; L293-H295 VanDerWaalsContact C-N 3.35Å; L293-H295 PolarHBondContact O-N 3.27Å; H295-A297 PolarHBondContact O-N 2.75Å
296	A	98.6	Very high	98.4	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-41.2	179.6	0	0	0	0	0	113.1	I280 L292 L293 N298 S299 V300 K301 V303	I280-A296 HydrophobicContact CD1-CB 3.64Å; L292-A296 WeakPolarHBondContact O-CB 3.43Å; L292-A296 PolarHBondContact O-N 3.47Å; L293-A296 PolarHBondContact O-N 2.96Å; A296-N298 VanDerWaalsContact C-N 3.27Å; A296-N298 PolarHBondContact O-N 2.86Å; A296-S299 CarbonylContact O-C 3.57Å; A296-S299 PolarHBondContact O-N 3.06Å; A296-S299 VanDerWaalsContact O-N 3.16Å; A296-V300 PolarHBondContact O-N 3.37Å; A296-V300 VanDerWaalsContact O-N 3.07Å; A296-K301 HydrophobicContact CB-CB 4.33Å; A296-K301 PolarHBondContact O-N 3.09Å; A296-V303 HydrophobicContact CB-CG2 3.63Å
297	A	98.8	Very high	98.4	Very high	67 Å²	67	53.2 Å²	53.2	55%	0.554	29%	0.291	S	S	*	.	H	α-helix	trans	-56.9	-37.8	-176.1	0	0	0	0	0	113.1	L293 H295 S299 V300	L293-A297 WeakPolarHBondContact O-CB 3.45Å; L293-A297 PolarHBondContact O-N 3.03Å; H295-A297 PolarHBondContact O-N 2.75Å; A297-S299 PolarHBondContact O-N 2.92Å; A297-V300 PolarHBondContact O-N 3.24Å; A297-V300 VanDerWaalsContact O-N 3.16Å
298	N	98.6	Very high	97.8	Very high	135 Å²	135	48.5 Å²	48.5	72%	0.722	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.1	-179.1	-62.9	-50.2	0	0	0	114.5	H294 A296	H294-N298 PolarHBondContact O-ND2 3.41Å; A296-N298 VanDerWaalsContact C-N 3.27Å; A296-N298 PolarHBondContact O-N 2.86Å
299	S	98.5	Very high	97	Very high	53 Å²	53	45.9 Å²	45.9	37%	0.371	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	20.2	174.4	52.8	0	0	0	0	113.1	A296 A297 K301	A296-S299 CarbonylContact O-C 3.57Å; A296-S299 PolarHBondContact O-N 3.06Å; A296-S299 VanDerWaalsContact O-N 3.16Å; A297-S299 PolarHBondContact O-N 2.92Å; S299-K301 PolarHBondContact O-N 2.86Å; S299-K301 VanDerWaalsContact O-N 3.11Å; S299-K301 VanDerWaalsContact OG-CE 3.24Å; S299-K301 WeakPolarHBondContact OG-CE 3.39Å; S299-K301 WeakPolarHBondContact OG-CG 3.45Å; S299-K301 PolarHBondContact OG-NZ 2.8Å
300	V	98.8	Very high	96.6	Very high	132 Å²	132	46.7 Å²	46.7	80%	0.8	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	39.2	177.1	-156.6	0	0	0	0	113	A296 A297	A296-V300 PolarHBondContact O-N 3.37Å; A296-V300 VanDerWaalsContact O-N 3.07Å; A297-V300 PolarHBondContact O-N 3.24Å; A297-V300 VanDerWaalsContact O-N 3.16Å
301	K	98.8	Very high	96.4	Very high	21 Å²	21	42 Å²	42	9%	0.091	23%	0.231	C	C	.	.			trans	-64.6	144.9	-179.1	-54.8	-165.7	-172	-52.7	0	110.4	C272 D274 V277 I280 A296 S299	C272-K301 WeakPolarHBondContact O-CE 3.46Å; D274-K301 PolarHBondContact O-NZ 3Å; V277-K301 HydrophobicContact CG1-CD 4.32Å; V277-K301 WeakPolarHBondContact O-CD 3.16Å; V277-K301 WeakPolarHBondContact O-CE 3.33Å; V277-K301 PolarHBondContact O-NZ 2.75Å; I280-K301 HydrophobicContact CD1-CB 4.43Å; I280-K301 HydrophobicContact CD1-CD 4Å; I280-K301 HydrophobicContact CG1-CD 4.32Å; A296-K301 HydrophobicContact CB-CB 4.33Å; A296-K301 PolarHBondContact O-N 3.09Å; S299-K301 PolarHBondContact O-N 2.86Å; S299-K301 VanDerWaalsContact O-N 3.11Å; S299-K301 VanDerWaalsContact OG-CE 3.24Å; S299-K301 WeakPolarHBondContact OG-CE 3.39Å; S299-K301 WeakPolarHBondContact OG-CG 3.45Å; S299-K301 PolarHBondContact OG-NZ 2.8Å
302	R	98.8	Very high	96.3	Very high	76 Å²	76	38.2 Å²	38.2	29%	0.287	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	141.1	166.8	-72.6	-81.4	-59.9	-80.3	0.7	108.4	I195 S278 K279 I280 D522 L525 E526	I195-R302 HydrophobicContact CD1-CB 4.15Å; I195-R302 HydrophobicContact CD1-CG 4.05Å; S278-R302 PolarHBondContact O-N 2.92Å; K279-R302 CarbonylContact C-O 3.53Å; K279-R302 VanDerWaalsContact CA-O 3.32Å; K279-R302 WeakPolarHBondContact CA-O 3.34Å; K279-R302 HydrophobicContact CD-CB 3.82Å; I280-R302 PolarHBondContact N-O 2.85Å; R302-D522 PolarHBondContact NH2-O 2.76Å; R302-D522 VanDerWaalsContact NH2-O 3.11Å; R302-L525 PolarHBondContact NH1-O 3.34Å; R302-E526 WeakPolarHBondContact CG-OE1 3.43Å; R302-E526 IonicContact CZ-OE1 3.32Å; R302-E526 VanDerWaalsContact NH1-CD 3.28Å; R302-E526 IonicContact NH1-OE1 2.75Å; R302-E526 PolarHBondContact NH1-OE1 3.11Å; R302-E526 IonicContact NH1-OE2 3.15Å
303	V	98.8	Very high	96.3	Very high	27 Å²	27	37.8 Å²	37.8	16%	0.164	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.2	-179.8	179.6	0	0	0	0	109.8	I280 L293 A296 M305 L512	I280-V303 HydrophobicContact CB-CG2 4.43Å; I280-V303 CarbonylContact O-C 3.51Å; I280-V303 WeakPolarHBondContact O-CA 3.26Å; L293-V303 HydrophobicContact CD2-CB 4.31Å; L293-V303 HydrophobicContact CD2-CG1 3.89Å; L293-V303 HydrophobicContact CD2-CG2 4.25Å; A296-V303 HydrophobicContact CB-CG2 3.63Å; V303-M305 HydrophobicContact CG1-CE 3.78Å; V303-M305 HydrophobicContact CG1-CG 3.72Å; V303-M305 HydrophobicContact CG1-SD 4.12Å; V303-L512 HydrophobicContact CG1-CD1 4.41Å
304	S	98.8	Very high	96.3	Very high	1 Å²	1	35 Å²	35	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.4	153.6	49.2	0	0	0	0	109.7	K279 I280 S281 F282 L512 E523	K279-S304 WeakPolarHBondContact CE-OG 3.48Å; K279-S304 PolarHBondContact NZ-OG 3.43Å; K279-S304 VanDerWaalsContact NZ-OG 3.16Å; I280-S304 PolarHBondContact O-N 3.38Å; S281-S304 WeakPolarHBondContact CA-O 3.36Å; F282-S304 PolarHBondContact N-O 2.62Å; F282-S304 VanDerWaalsContact N-O 3.16Å; S304-L512 CarbonylContact C-O 3.57Å; S304-L512 VanDerWaalsContact CA-O 3.26Å; S304-L512 WeakPolarHBondContact CA-O 3.32Å; S304-L512 WeakPolarHBondContact CB-O 3.4Å; S304-E523 WeakPolarHBondContact CB-OE2 3.5Å
305	M	98.3	Very high	96.3	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.3	-177.7	-75.3	-173	174.7	0	0	111.3	F282 G289 L292 L293 V303 L307 G511 L512	F282-M305 HydrophobicContact CB-CE 4.18Å; F282-M305 HydrophobicContact CB-CG 4.18Å; F282-M305 HydrophobicContact CD1-CE 4.19Å; F282-M305 HydrophobicContact CD1-CG 4.24Å; F282-M305 HydrophobicContact CD1-SD 4.19Å; F282-M305 WeakPolarHBondContact O-CA 3.43Å; G289-M305 WeakPolarHBondContact O-CE 3.34Å; L292-M305 HydrophobicContact CB-CE 3.62Å; L292-M305 HydrophobicContact CD1-CE 4.5Å; L293-M305 HydrophobicContact CD1-SD 4.08Å; L293-M305 HydrophobicContact CD2-CE 4.35Å; L293-M305 HydrophobicContact CD2-SD 4.29Å; L293-M305 HydrophobicContact CG-CE 3.93Å; L293-M305 HydrophobicContact CG-SD 3.84Å; V303-M305 HydrophobicContact CG1-CE 3.78Å; V303-M305 HydrophobicContact CG1-CG 3.72Å; V303-M305 HydrophobicContact CG1-SD 4.12Å; M305-L307 HydrophobicContact CB-CD1 4.43Å; M305-L307 HydrophobicContact CB-CD2 4.09Å; M305-L307 HydrophobicContact CB-CG 4.05Å; M305-L307 HydrophobicContact CG-CD2 4.47Å; M305-L307 HydrophobicContact SD-CD1 4.34Å; M305-L307 HydrophobicContact SD-CD2 4.15Å; M305-G511 CarbonylContact O-C 3.55Å; M305-G511 WeakPolarHBondContact O-CA 3.46Å; M305-L512 PolarHBondContact N-O 3.03Å; M305-L512 PolarHBondContact O-N 3.01Å
306	E	98	Very high	96.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.5	159.7	178.7	-166.2	110.1	0	0	107.5	R213 F282 T283 G284 C340 L466 F504	R213-E306 IonicContact CZ-OE2 3.07Å; R213-E306 IonicContact NH1-OE2 3.84Å; R213-E306 PolarHBondContact NH1-OE2 3.13Å; R213-E306 VanDerWaalsContact NH2-CD 3.25Å; R213-E306 IonicContact NH2-OE1 3.89Å; R213-E306 PolarHBondContact NH2-OE1 2.78Å; R213-E306 IonicContact NH2-OE2 2.76Å; R213-E306 PolarHBondContact NH2-OE2 3.46Å; F282-E306 PolarHBondContact O-N 3.13Å; T283-E306 VanDerWaalsContact CA-O 3.27Å; T283-E306 WeakPolarHBondContact CA-O 3.26Å; T283-E306 HydrophobicContact CG2-CB 3.94Å; T283-E306 HydrophobicContact CG2-CG 4.11Å; T283-E306 WeakPolarHBondContact CG2-OE1 3.47Å; G284-E306 PolarHBondContact N-O 2.85Å; G284-E306 VanDerWaalsContact N-O 3.14Å; E306-C340 PolarHBondContact OE1-SG 3.21Å; E306-L466 HydrophobicContact CG-CD1 4Å; E306-L466 HydrophobicContact CG-CD2 4.14Å; E306-F504 WeakPolarHBondContact OE2-CD1 3.48Å; E306-F504 WeakPolarHBondContact OE2-CE1 3.47Å
307	L	96.1	Very high	96.3	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.058	18%	0.175	C	C	.	.			trans	-114.8	-174.4	-174.3	-55	179.7	0	0	0	110.4	F282 G284 T286 M305 Q509 S510	F282-L307 HydrophobicContact CD1-CD2 3.69Å; F282-L307 HydrophobicContact CE1-CD2 3.5Å; F282-L307 VanDerWaalsContact CE1-CD2 3.5Å; G284-L307 WeakPolarHBondContact O-CA 3.16Å; T286-L307 HydrophobicContact CG2-CD1 4.22Å; M305-L307 HydrophobicContact CB-CD1 4.43Å; M305-L307 HydrophobicContact CB-CD2 4.09Å; M305-L307 HydrophobicContact CB-CG 4.05Å; M305-L307 HydrophobicContact CG-CD2 4.47Å; M305-L307 HydrophobicContact SD-CD1 4.34Å; M305-L307 HydrophobicContact SD-CD2 4.15Å; L307-Q509 WeakPolarHBondContact CB-O 3.46Å; L307-Q509 WeakPolarHBondContact CD1-O 3.45Å; L307-S510 PolarHBondContact N-O 2.97Å
308	G	84.1	Confident	96.3	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	17%	0.165	C	C	.	.			trans	-57.7	149.4	-172.4	0	0	0	0	0	114.1	T286 E438 V464 S510	T286-G308 PolarHBondContact OG1-N 3.33Å; G308-E438 WeakPolarHBondContact CA-OE1 3.22Å; G308-E438 WeakPolarHBondContact CA-OE2 3.43Å; G308-V464 WeakPolarHBondContact O-CG1 3.48Å; G308-S510 PolarHBondContact O-OG 3.34Å
309	G	82	Confident	96.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	14%	0.135	C	C	.	.			trans	-126.6	147.3	-178.6	0	0	0	0	0	113.2	N344 E438	G309-N344 PolarHBondContact O-ND2 3.06Å; G309-E438 PolarHBondContact N-OE1 3.12Å; G309-E438 WeakPolarHBondContact O-CG 3.41Å
310	L	88.9	Confident	96.4	Very high	17 Å²	17	24.4 Å²	24.4	9%	0.089	14%	0.136	C	C	.	.			trans	-127.4	59.5	175.2	-166.4	70.3	0	0	0	108.6	P312 N344 T435 A462 V464	L310-P312 VanDerWaalsContact O-CD 3.31Å; L310-P312 WeakPolarHBondContact O-CD 3.41Å; L310-N344 HydrophobicContact CD1-CB 3.92Å; L310-T435 WeakPolarHBondContact CD2-O 3.41Å; L310-A462 HydrophobicContact CD2-CB 4.05Å; L310-V464 HydrophobicContact CB-CG2 3.57Å
311	A	94.8	Very high	96.3	Very high	1 Å²	1	20 Å²	20	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	118.7	-164.9	0	0	0	0	0	112	S343 N344 Q345 A467 Y469	A311-S343 CarbonylContact O-C 3.6Å; A311-S343 WeakPolarHBondContact O-CA 3.45Å; A311-N344 PolarHBondContact O-N 2.88Å; A311-Q345 PolarHBondContact O-N 2.82Å; A311-A467 VanDerWaalsContact CA-O 3.25Å; A311-A467 WeakPolarHBondContact CA-O 3.3Å; A311-A467 HydrophobicContact CB-CB 4.48Å; A311-A467 WeakPolarHBondContact CB-O 3.45Å; A311-Y469 HydrophobicContact CB-CD2 4.4Å; A311-Y469 HydrophobicContact CB-CE2 4.19Å
312	P	97.1	Very high	96.3	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.039	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	146	172.2	31.4	-35.2	0	0	0	109.9	L310 I314 Q345 A459 Y469 L485	L310-P312 VanDerWaalsContact O-CD 3.31Å; L310-P312 WeakPolarHBondContact O-CD 3.41Å; P312-I314 HydrophobicContact CB-CG1 4.38Å; P312-Q345 CarbonylContact C-O 3.52Å; P312-A459 HydrophobicContact CB-CB 3.85Å; P312-A459 HydrophobicContact CG-CB 3.91Å; P312-Y469 PolarHBondContact O-N 2.82Å; P312-L485 HydrophobicContact CG-CD2 4.42Å
313	F	98.6	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	101.9	171.5	-169.6	-74.2	0	0	0	108.1	V315 A324 A328 Q345 F346 L347 Y469 Y471	F313-V315 HydrophobicContact CD1-CG2 3.8Å; F313-V315 HydrophobicContact CE1-CG2 3.62Å; F313-A324 WeakPolarHBondContact CZ-O 3.34Å; F313-A328 HydrophobicContact CE1-CB 4.01Å; F313-A328 HydrophobicContact CE2-CB 4.43Å; F313-A328 HydrophobicContact CZ-CB 3.87Å; F313-A328 VanDerWaalsContact CZ-N 3.3Å; F313-Q345 PolarHBondContact N-O 2.99Å; F313-F346 HydrophobicContact CB-CD1 3.73Å; F313-F346 HydrophobicContact CB-CE1 3.74Å; F313-F346 HydrophobicContact CB-CG 4.45Å; F313-F346 HydrophobicContact CB-CZ 4.5Å; F313-F346 AromaticContact CD1-CD1 3.46Å; F313-F346 HydrophobicContact CD1-CD1 3.46Å; F313-F346 VanDerWaalsContact CD1-CD1 3.46Å; F313-F346 AromaticContact CD1-CE1 3.46Å; F313-F346 HydrophobicContact CD1-CE1 3.46Å; F313-F346 VanDerWaalsContact CD1-CE1 3.46Å; F313-F346 HydrophobicContact CD2-CE1 4.02Å; F313-F346 HydrophobicContact CE1-CD1 4.23Å; F313-F346 AromaticContact CE1-CE1 3.99Å; F313-F346 HydrophobicContact CE1-CE1 3.99Å; F313-F346 AromaticContact CG-CD1 3.73Å; F313-F346 HydrophobicContact CG-CD1 3.73Å; F313-F346 AromaticContact CG-CE1 3.47Å; F313-F346 HydrophobicContact CG-CE1 3.47Å; F313-F346 VanDerWaalsContact CG-CE1 3.47Å; F313-F346 HydrophobicContact CG-CZ 4.44Å; F313-F346 HydrophobicContact CZ-CE1 4.48Å; F313-F346 CarbonylContact O-C 3.59Å; F313-F346 WeakPolarHBondContact O-CA 3.47Å; F313-L347 PolarHBondContact O-N 3.34Å; F313-Y469 CarbonylContact C-O 3.59Å; F313-Y469 WeakPolarHBondContact CA-O 3.36Å; F313-Y469 VanDerWaalsContact CD2-CB 3.48Å; F313-Y469 HydrophobicContact CD2-CD2 4.33Å; F313-Y469 AromaticContact CD2-CG 3.97Å; F313-Y469 HydrophobicContact CD2-CG 3.97Å; F313-Y469 HydrophobicContact CE2-CG 4.49Å; F313-Y471 AromaticContact CE1-CD2 3.84Å; F313-Y471 HydrophobicContact CE1-CD2 3.84Å; F313-Y471 HydrophobicContact CE1-CE2 4.08Å; F313-Y471 HydrophobicContact CE2-CD2 4.32Å; F313-Y471 AromaticContact CE2-CE2 3.84Å; F313-Y471 HydrophobicContact CE2-CE2 3.84Å; F313-Y471 AromaticContact CZ-CD2 3.55Å; F313-Y471 HydrophobicContact CZ-CD2 3.55Å; F313-Y471 AromaticContact CZ-CE2 3.29Å; F313-Y471 HydrophobicContact CZ-CE2 3.29Å
314	I	98.9	Very high	96.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.2	-170.3	-44.2	-176.4	0	0	0	110.3	P312 F316 L347 F449 A455 A459 Y469 F470 Y471 L485	P312-I314 HydrophobicContact CB-CG1 4.38Å; I314-F316 HydrophobicContact CB-CE2 4.24Å; I314-F316 HydrophobicContact CB-CZ 4.43Å; I314-F316 HydrophobicContact CG2-CD1 4.46Å; I314-F316 HydrophobicContact CG2-CD2 4.22Å; I314-F316 HydrophobicContact CG2-CE1 3.93Å; I314-F316 HydrophobicContact CG2-CE2 3.68Å; I314-F316 HydrophobicContact CG2-CZ 3.52Å; I314-L347 CarbonylContact C-O 3.57Å; I314-L347 VanDerWaalsContact CA-O 3.29Å; I314-L347 WeakPolarHBondContact CA-O 3.21Å; I314-L347 HydrophobicContact CB-CB 4.5Å; I314-L347 HydrophobicContact CD1-CD1 4.28Å; I314-L347 HydrophobicContact CG1-CB 4.25Å; I314-L347 HydrophobicContact CG1-CD1 4.16Å; I314-L347 HydrophobicContact CG1-CG 4.44Å; I314-L347 HydrophobicContact CG2-CB 4.26Å; I314-F449 HydrophobicContact CG2-CE1 3.69Å; I314-F449 HydrophobicContact CG2-CZ 3.76Å; I314-A455 HydrophobicContact CD1-CB 4.4Å; I314-A455 HydrophobicContact CG2-CB 3.93Å; I314-A459 HydrophobicContact CD1-CB 4.12Å; I314-Y469 PolarHBondContact N-O 3Å; I314-F470 HydrophobicContact CB-CB 3.8Å; I314-F470 HydrophobicContact CG1-CB 4.49Å; I314-F470 CarbonylContact O-C 3.57Å; I314-F470 WeakPolarHBondContact O-CA 3.28Å; I314-F470 WeakPolarHBondContact O-CB 3.49Å; I314-Y471 PolarHBondContact O-N 3.06Å; I314-L485 HydrophobicContact CD1-CD2 4.06Å
315	V	98.9	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	105.9	178.1	-176.7	0	0	0	0	108.5	F313 A319 A324 L347 V348 Q349 I352 F356	F313-V315 HydrophobicContact CD1-CG2 3.8Å; F313-V315 HydrophobicContact CE1-CG2 3.62Å; V315-A319 HydrophobicContact CG1-CB 3.76Å; V315-A324 HydrophobicContact CG1-CB 3.99Å; V315-A324 HydrophobicContact CG2-CB 4.13Å; V315-L347 PolarHBondContact N-O 2.87Å; V315-V348 HydrophobicContact CB-CG1 4.1Å; V315-V348 HydrophobicContact CB-CG2 4.27Å; V315-V348 HydrophobicContact CG1-CG1 4.41Å; V315-V348 HydrophobicContact CG2-CG2 4.42Å; V315-Q349 PolarHBondContact O-N 2.8Å; V315-I352 HydrophobicContact CG1-CD1 4.17Å; V315-I352 HydrophobicContact CG1-CG2 4.15Å; V315-F356 HydrophobicContact CG1-CD2 4.21Å; V315-F356 HydrophobicContact CG2-CD2 4.28Å; V315-F356 HydrophobicContact CG2-CE2 3.93Å; V315-F356 HydrophobicContact CG2-CZ 4.18Å
316	F	98.9	Very high	96.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.			trans	-82	160.6	177.5	-64	-75.6	0	0	0	111.5	I314 S318 A319 F449 E452 A455 F470 Y471 Q477 V481	I314-F316 HydrophobicContact CB-CE2 4.24Å; I314-F316 HydrophobicContact CB-CZ 4.43Å; I314-F316 HydrophobicContact CG2-CD1 4.46Å; I314-F316 HydrophobicContact CG2-CD2 4.22Å; I314-F316 HydrophobicContact CG2-CE1 3.93Å; I314-F316 HydrophobicContact CG2-CE2 3.68Å; I314-F316 HydrophobicContact CG2-CZ 3.52Å; F316-S318 PolarHBondContact O-N 3.38Å; F316-A319 WeakPolarHBondContact O-CB 2.98Å; F316-A319 PolarHBondContact O-N 2.99Å; F316-F449 HydrophobicContact CD1-CE2 4Å; F316-F449 AromaticContact CD1-CZ 3.69Å; F316-F449 HydrophobicContact CD1-CZ 3.69Å; F316-F449 AromaticContact CE1-CE2 4Å; F316-F449 HydrophobicContact CE1-CE2 4Å; F316-F449 AromaticContact CE1-CZ 3.77Å; F316-F449 HydrophobicContact CE1-CZ 3.77Å; F316-E452 HydrophobicContact CE1-CB 4.2Å; F316-E452 HydrophobicContact CE1-CG 4.04Å; F316-E452 HydrophobicContact CZ-CG 4.29Å; F316-A455 HydrophobicContact CE1-CB 4.34Å; F316-F470 HydrophobicContact CD2-CD2 4.32Å; F316-F470 HydrophobicContact CE2-CB 4.14Å; F316-F470 HydrophobicContact CE2-CD2 4.01Å; F316-F470 HydrophobicContact CE2-CG 4.31Å; F316-Y471 WeakPolarHBondContact CD2-O 3.41Å; F316-Y471 PolarHBondContact N-O 2.69Å; F316-Q477 HydrophobicContact CD2-CG 4.39Å; F316-Q477 HydrophobicContact CE2-CG 4.37Å; F316-Q477 VanDerWaalsContact CG-OE1 3.31Å; F316-V481 HydrophobicContact CE2-CB 4.49Å; F316-V481 HydrophobicContact CE2-CG1 4.17Å; F316-V481 HydrophobicContact CE2-CG2 3.85Å; F316-V481 HydrophobicContact CZ-CG1 4.25Å; F316-V481 HydrophobicContact CZ-CG2 3.64Å
317	D	98.8	Very high	96.4	Very high	75 Å²	75	27.6 Å²	27.6	40%	0.401	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.5	-179.5	-72.6	-25.4	0	0	0	113.6	A319 Q349 G351 I352	D317-A319 VanDerWaalsContact C-N 3.35Å; D317-Q349 WeakPolarHBondContact OD1-CB 3.17Å; D317-Q349 WeakPolarHBondContact OD2-CG 3.45Å; D317-G351 WeakPolarHBondContact OD1-CA 3.4Å; D317-G351 PolarHBondContact OD1-N 2.8Å; D317-G351 PolarHBondContact OD2-N 3.05Å; D317-I352 WeakPolarHBondContact OD1-CG2 3.42Å; D317-I352 PolarHBondContact OD1-N 2.78Å
318	S	98.7	Very high	96.5	Very high	48 Å²	48	27.1 Å²	27.1	34%	0.336	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.8	173.9	69.1	0	0	0	0	114.3	F316 S472 Q473 Q477	F316-S318 PolarHBondContact O-N 3.38Å; S318-S472 WeakPolarHBondContact OG-CA 3.35Å; S318-S472 PolarHBondContact OG-OG 3.31Å; S318-Q473 WeakPolarHBondContact O-CB 3.42Å; S318-Q473 WeakPolarHBondContact O-CG 3.23Å; S318-Q473 PolarHBondContact OG-N 3.3Å; S318-Q473 VanDerWaalsContact OG-N 3.08Å; S318-Q477 PolarHBondContact OG-OE1 2.9Å
319	A	98.8	Very high	97.2	Very high	11 Å²	11	28.1 Å²	28.1	9%	0.091	16%	0.162	C	C	.	.	S	Bend	trans	-68.6	145.2	-176.2	0	0	0	0	0	113	V315 F316 D317 V321 I352	V315-A319 HydrophobicContact CG1-CB 3.76Å; F316-A319 WeakPolarHBondContact O-CB 2.98Å; F316-A319 PolarHBondContact O-N 2.99Å; D317-A319 VanDerWaalsContact C-N 3.35Å; A319-V321 PolarHBondContact O-N 3.05Å; A319-I352 HydrophobicContact CB-CD1 3.97Å; A319-I352 WeakPolarHBondContact O-CD1 3.32Å
320	N	98.7	Very high	97.9	Very high	74 Å²	74	29.5 Å²	29.5	40%	0.396	17%	0.173	S	C	.	.			trans	-72.1	113.1	162.5	-178.6	-59.1	0	0	0	109	D322 Q323 A324	N320-D322 PolarHBondContact O-N 3.16Å; N320-D322 PolarHBondContact OD1-N 3.28Å; N320-D322 VanDerWaalsContact OD1-N 3.13Å; N320-Q323 HydrophobicContact CB-CB 4.1Å; N320-Q323 HydrophobicContact CB-CG 4.04Å; N320-Q323 PolarHBondContact O-N 3.02Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.4Å; N320-Q323 PolarHBondContact OD1-N 3.1Å; N320-A324 WeakPolarHBondContact O-CB 3.22Å; N320-A324 PolarHBondContact O-N 2.85Å
321	V	98.5	Very high	98.2	Very high	39 Å²	39	28.7 Å²	28.7	24%	0.236	17%	0.169	C	C	.	.	H	α-helix	trans	-54.7	-47.6	-176.4	178.8	0	0	0	0	112.1	A319 Q323 A324 V325 I352 A359	A319-V321 PolarHBondContact O-N 3.05Å; V321-Q323 PolarHBondContact O-N 3.09Å; V321-A324 PolarHBondContact O-N 2.96Å; V321-V325 HydrophobicContact CG1-CG2 4.3Å; V321-V325 WeakPolarHBondContact O-CB 3.49Å; V321-V325 VanDerWaalsContact O-CG2 3.32Å; V321-V325 WeakPolarHBondContact O-CG2 3.35Å; V321-V325 PolarHBondContact O-N 2.93Å; V321-I352 HydrophobicContact CG2-CD1 3.72Å; V321-I352 HydrophobicContact CG2-CG1 3.75Å; V321-A359 HydrophobicContact CG1-CB 3.99Å
322	D	98.4	Very high	98.3	Very high	119 Å²	119	28.6 Å²	28.6	64%	0.636	17%	0.169	S	C	*	.	H	α-helix	trans	-65.9	-38.6	-176.5	-67.7	-44.7	0	0	0	111.8	N320 A326	N320-D322 PolarHBondContact O-N 3.16Å; N320-D322 PolarHBondContact OD1-N 3.28Å; N320-D322 VanDerWaalsContact OD1-N 3.13Å; D322-A326 WeakPolarHBondContact O-CB 3.46Å; D322-A326 PolarHBondContact O-N 2.8Å
323	Q	98.7	Very high	98.4	Very high	108 Å²	108	28.5 Å²	28.5	51%	0.505	17%	0.168	S	C	.	.	H	α-helix	trans	-69	-42.7	174.9	-62.4	-57.9	-55.9	0	0	111.6	N320 V321 V325 A326 G327 Y471	N320-Q323 HydrophobicContact CB-CB 4.1Å; N320-Q323 HydrophobicContact CB-CG 4.04Å; N320-Q323 PolarHBondContact O-N 3.02Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.4Å; N320-Q323 PolarHBondContact OD1-N 3.1Å; V321-Q323 PolarHBondContact O-N 3.09Å; Q323-V325 VanDerWaalsContact C-N 3.33Å; Q323-V325 PolarHBondContact O-N 3.29Å; Q323-A326 PolarHBondContact O-N 3.42Å; Q323-G327 PolarHBondContact O-N 2.57Å; Q323-Y471 HydrophobicContact CB-CD1 4.26Å; Q323-Y471 HydrophobicContact CB-CE1 3.91Å; Q323-Y471 VanDerWaalsContact O-CE1 3.25Å; Q323-Y471 WeakPolarHBondContact O-CE1 3.25Å
324	A	98.7	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-41.1	176	0	0	0	0	0	111.4	F313 V315 N320 V321 G327 A328 F356 Y471	F313-A324 WeakPolarHBondContact CZ-O 3.34Å; V315-A324 HydrophobicContact CG1-CB 3.99Å; V315-A324 HydrophobicContact CG2-CB 4.13Å; N320-A324 WeakPolarHBondContact O-CB 3.22Å; N320-A324 PolarHBondContact O-N 2.85Å; V321-A324 PolarHBondContact O-N 2.96Å; A324-G327 PolarHBondContact O-N 3.38Å; A324-A328 WeakPolarHBondContact O-CB 3.28Å; A324-A328 PolarHBondContact O-N 3.4Å; A324-F356 HydrophobicContact CB-CD2 4.19Å; A324-F356 HydrophobicContact CB-CE2 4Å; A324-Y471 VanDerWaalsContact CA-CD1 3.5Å; A324-Y471 HydrophobicContact CB-CD1 3.87Å; A324-Y471 HydrophobicContact CB-CD2 4.26Å; A324-Y471 HydrophobicContact CB-CG 3.74Å
325	V	98.8	Very high	98	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.055	18%	0.176	C	C	.	.	H	α-helix	trans	-68	-39.6	174.9	169.1	0	0	0	0	111.7	V321 Q323 A328 M329 F356 A359 F360 A363	V321-V325 HydrophobicContact CG1-CG2 4.3Å; V321-V325 WeakPolarHBondContact O-CB 3.49Å; V321-V325 VanDerWaalsContact O-CG2 3.32Å; V321-V325 WeakPolarHBondContact O-CG2 3.35Å; V321-V325 PolarHBondContact O-N 2.93Å; Q323-V325 VanDerWaalsContact C-N 3.33Å; Q323-V325 PolarHBondContact O-N 3.29Å; V325-A328 PolarHBondContact O-N 3.29Å; V325-M329 HydrophobicContact CG1-CG 4.35Å; V325-M329 WeakPolarHBondContact O-CB 3.45Å; V325-M329 WeakPolarHBondContact O-CG 3.29Å; V325-M329 PolarHBondContact O-N 3.27Å; V325-F356 HydrophobicContact CG2-CD2 3.7Å; V325-F356 HydrophobicContact CG2-CE2 3.76Å; V325-A359 HydrophobicContact CG2-CB 3.92Å; V325-F360 HydrophobicContact CG1-CB 4.47Å; V325-F360 HydrophobicContact CG1-CD2 4.34Å; V325-F360 HydrophobicContact CG2-CB 4.16Å; V325-A363 HydrophobicContact CG1-CB 3.5Å; V325-A363 VanDerWaalsContact CG1-CB 3.5Å
326	A	98.7	Very high	98	Very high	54 Å²	54	30.8 Å²	30.8	45%	0.446	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-44.9	174.5	0	0	0	0	0	111.8	D322 Q323 M329 A330	D322-A326 WeakPolarHBondContact O-CB 3.46Å; D322-A326 PolarHBondContact O-N 2.8Å; Q323-A326 PolarHBondContact O-N 3.42Å; A326-M329 PolarHBondContact O-N 2.94Å; A326-A330 WeakPolarHBondContact O-CB 3.35Å; A326-A330 PolarHBondContact O-N 3.4Å
327	G	98.5	Very high	97.7	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-41.5	173.7	0	0	0	0	0	113.3	Q323 A324 A330 S331 Y471	Q323-G327 PolarHBondContact O-N 2.57Å; A324-G327 PolarHBondContact O-N 3.38Å; G327-A330 PolarHBondContact O-N 2.94Å; G327-S331 VanDerWaalsContact O-CB 3.28Å; G327-S331 WeakPolarHBondContact O-CB 3.41Å; G327-S331 PolarHBondContact O-N 2.76Å; G327-S331 PolarHBondContact O-OG 3.21Å; G327-Y471 VanDerWaalsContact CA-OH 3.29Å; G327-Y471 WeakPolarHBondContact CA-OH 3.12Å
328	A	98.5	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-43.6	176.7	0	0	0	0	0	111.5	F313 A324 V325 S331 K332 F346 F356 F360	F313-A328 HydrophobicContact CE1-CB 4.01Å; F313-A328 HydrophobicContact CE2-CB 4.43Å; F313-A328 HydrophobicContact CZ-CB 3.87Å; F313-A328 VanDerWaalsContact CZ-N 3.3Å; A324-A328 WeakPolarHBondContact O-CB 3.28Å; A324-A328 PolarHBondContact O-N 3.4Å; V325-A328 PolarHBondContact O-N 3.29Å; A328-S331 PolarHBondContact O-OG 3.13Å; A328-K332 WeakPolarHBondContact O-CB 3.47Å; A328-K332 PolarHBondContact O-N 2.89Å; A328-F346 HydrophobicContact CB-CD1 4.39Å; A328-F346 HydrophobicContact CB-CE1 3.45Å; A328-F346 VanDerWaalsContact CB-CE1 3.45Å; A328-F346 HydrophobicContact CB-CZ 3.98Å; A328-F356 HydrophobicContact CB-CE2 4.31Å; A328-F356 HydrophobicContact CB-CZ 3.93Å; A328-F360 HydrophobicContact CB-CD1 4.44Å; A328-F360 HydrophobicContact CB-CD2 4.24Å; A328-F360 HydrophobicContact CB-CE1 3.95Å; A328-F360 HydrophobicContact CB-CE2 3.7Å; A328-F360 HydrophobicContact CB-CZ 3.56Å
329	M	98.6	Very high	97.2	Very high	26 Å²	26	25 Å²	25	13%	0.128	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-46.2	174.2	-75	-73.1	-63.3	0	0	112	V325 A326 F333 F360 A363 M364 N367 L368	V325-M329 HydrophobicContact CG1-CG 4.35Å; V325-M329 WeakPolarHBondContact O-CB 3.45Å; V325-M329 WeakPolarHBondContact O-CG 3.29Å; V325-M329 PolarHBondContact O-N 3.27Å; A326-M329 PolarHBondContact O-N 2.94Å; M329-F333 PolarHBondContact O-N 3.18Å; M329-F333 HydrophobicContact SD-CD2 4Å; M329-F333 HydrophobicContact SD-CE2 4.21Å; M329-F360 HydrophobicContact CG-CD2 4.08Å; M329-F360 HydrophobicContact CG-CE2 3.9Å; M329-F360 HydrophobicContact SD-CD2 4.01Å; M329-F360 HydrophobicContact SD-CE2 3.81Å; M329-A363 WeakPolarHBondContact CE-O 3.38Å; M329-A363 HydrophobicContact CG-CB 3.97Å; M329-A363 HydrophobicContact SD-CB 3.99Å; M329-M364 HydrophobicContact SD-CB 4.4Å; M329-M364 HydrophobicContact SD-CG 3.7Å; M329-N367 HydrophobicContact CE-CB 3.82Å; M329-L368 HydrophobicContact CE-CD1 4.42Å; M329-L368 HydrophobicContact CE-CD2 3.74Å; M329-L368 HydrophobicContact CE-CG 3.88Å
330	A	96.6	Very high	96.7	Very high	29 Å²	29	24.9 Å²	24.9	24%	0.24	14%	0.14	C	C	.	.	H	α-helix	trans	-72.7	-37	-177.9	0	0	0	0	0	113.4	A326 G327 R334 L496	A326-A330 WeakPolarHBondContact O-CB 3.35Å; A326-A330 PolarHBondContact O-N 3.4Å; G327-A330 PolarHBondContact O-N 2.94Å; A330-R334 VanDerWaalsContact O-CB 3.23Å; A330-R334 WeakPolarHBondContact O-CB 2.99Å; A330-L496 HydrophobicContact CB-CD1 3.99Å; A330-L496 HydrophobicContact CB-CD2 4.04Å; A330-L496 HydrophobicContact CB-CG 3.81Å
331	S	96.3	Very high	96.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-76.5	-42.9	178.4	59.3	0	0	0	0	112.7	G327 A328 C342 S343	G327-S331 VanDerWaalsContact O-CB 3.28Å; G327-S331 WeakPolarHBondContact O-CB 3.41Å; G327-S331 PolarHBondContact O-N 2.76Å; G327-S331 PolarHBondContact O-OG 3.21Å; A328-S331 PolarHBondContact O-OG 3.13Å; S331-C342 WeakPolarHBondContact O-CA 3.46Å; S331-C342 PolarHBondContact O-SG 2.93Å; S331-S343 WeakPolarHBondContact CB-OG 3.34Å; S331-S343 PolarHBondContact OG-OG 3.39Å
332	K	97.7	Very high	96	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-78.8	-46.7	-175.9	-176.1	69.7	-105.8	-174.4	0	113.6	A328 G337 S343 N344 F346 G441 L443 A444	A328-K332 WeakPolarHBondContact O-CB 3.47Å; A328-K332 PolarHBondContact O-N 2.89Å; K332-G337 WeakPolarHBondContact O-CA 3.46Å; K332-G337 PolarHBondContact O-N 3.27Å; K332-S343 WeakPolarHBondContact CD-O 3.4Å; K332-S343 WeakPolarHBondContact CE-O 3.41Å; K332-S343 PolarHBondContact N-OG 2.76Å; K332-S343 PolarHBondContact NZ-O 3.02Å; K332-N344 PolarHBondContact NZ-OD1 3.15Å; K332-F346 HydrophobicContact CB-CE2 4.31Å; K332-F346 HydrophobicContact CB-CZ 4.05Å; K332-F346 HydrophobicContact CD-CE2 4.05Å; K332-F346 HydrophobicContact CG-CE2 4.34Å; K332-G441 WeakPolarHBondContact CE-O 3.49Å; K332-L443 VanDerWaalsContact CD-O 3.32Å; K332-L443 WeakPolarHBondContact CD-O 3.49Å; K332-L443 VanDerWaalsContact CE-O 3.28Å; K332-L443 WeakPolarHBondContact CE-O 3.32Å; K332-L443 PolarHBondContact NZ-O 3.05Å; K332-A444 HydrophobicContact CD-CB 4.19Å; K332-A444 HydrophobicContact CG-CB 4.16Å
333	F	97.9	Very high	95.6	Very high	4 Å²	4	14 Å²	14	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-98.1	-12.1	-163.9	-64.3	-67.6	0	0	0	113.8	M329 N335 T336 F360 M364 L368 Q380 P422 P442 A444	M329-F333 PolarHBondContact O-N 3.18Å; M329-F333 HydrophobicContact SD-CD2 4Å; M329-F333 HydrophobicContact SD-CE2 4.21Å; F333-N335 PolarHBondContact O-N 3.08Å; F333-T336 WeakPolarHBondContact O-CA 3.47Å; F333-T336 PolarHBondContact O-N 3.36Å; F333-F360 HydrophobicContact CD2-CE2 4.36Å; F333-F360 AromaticContact CE2-CE2 3.68Å; F333-F360 HydrophobicContact CE2-CE2 3.68Å; F333-F360 AromaticContact CE2-CZ 3.75Å; F333-F360 HydrophobicContact CE2-CZ 3.75Å; F333-M364 HydrophobicContact CD2-CG 4.45Å; F333-M364 HydrophobicContact CE1-CE 4.09Å; F333-M364 HydrophobicContact CE2-CE 4.12Å; F333-M364 HydrophobicContact CE2-CG 3.66Å; F333-M364 HydrophobicContact CE2-SD 3.8Å; F333-M364 HydrophobicContact CZ-CE 3.45Å; F333-M364 VanDerWaalsContact CZ-CE 3.45Å; F333-M364 HydrophobicContact CZ-CG 4.01Å; F333-M364 HydrophobicContact CZ-SD 3.66Å; F333-L368 HydrophobicContact CB-CD1 4.27Å; F333-L368 HydrophobicContact CB-CD2 3.86Å; F333-L368 HydrophobicContact CD1-CD1 3.76Å; F333-L368 HydrophobicContact CD2-CD1 3.76Å; F333-L368 HydrophobicContact CD2-CD2 4.45Å; F333-L368 HydrophobicContact CE1-CD1 4.04Å; F333-L368 HydrophobicContact CE2-CD1 4.03Å; F333-L368 HydrophobicContact CG-CD1 3.64Å; F333-L368 HydrophobicContact CG-CD2 4.13Å; F333-L368 HydrophobicContact CZ-CD1 4.18Å; F333-Q380 PolarHBondContact O-NE2 3.01Å; F333-P422 HydrophobicContact CD1-CB 4.27Å; F333-P422 HydrophobicContact CE1-CB 3.89Å; F333-P442 HydrophobicContact CD1-CB 3.91Å; F333-P442 HydrophobicContact CE1-CB 3.98Å; F333-A444 HydrophobicContact CZ-CB 4.39Å
334	R	94.3	Very high	95.2	Very high	44 Å²	44	8.9 Å²	8.9	17%	0.166	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-52.1	134.9	167.8	-179.3	176.5	64.7	158.9	0.6	110.6	E152 A330 T336 G337 S498	E152-R334 WeakPolarHBondContact OE1-CA 3.29Å; A330-R334 VanDerWaalsContact O-CB 3.23Å; A330-R334 WeakPolarHBondContact O-CB 2.99Å; R334-T336 PolarHBondContact O-N 2.83Å; R334-G337 PolarHBondContact O-N 3.45Å; R334-S498 PolarHBondContact NH1-OG 3.38Å; R334-S498 VanDerWaalsContact NH1-OG 3.11Å
335	N	96.1	Very high	94.8	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	57	27.6	-174.1	-151.8	42.5	0	0	0	114.1	K148 E152 N205 F333 G337 Q338 T339	K148-N335 VanDerWaalsContact CB-OD1 3.26Å; K148-N335 WeakPolarHBondContact CB-OD1 3.46Å; K148-N335 WeakPolarHBondContact CE-OD1 3.2Å; K148-N335 PolarHBondContact NZ-OD1 3.49Å; E152-N335 VanDerWaalsContact CD-N 3.34Å; E152-N335 PolarHBondContact OE1-N 2.85Å; E152-N335 VanDerWaalsContact OE1-N 3.15Å; E152-N335 WeakPolarHBondContact OE2-CA 3.18Å; E152-N335 PolarHBondContact OE2-N 2.87Å; N205-N335 PolarHBondContact O-ND2 3.38Å; F333-N335 PolarHBondContact O-N 3.08Å; N335-G337 PolarHBondContact O-N 3.11Å; N335-Q338 PolarHBondContact ND2-O 3.08Å; N335-Q338 VanDerWaalsContact O-CB 3.24Å; N335-Q338 WeakPolarHBondContact O-CB 3.44Å; N335-Q338 WeakPolarHBondContact O-CG 3.33Å; N335-Q338 PolarHBondContact O-N 2.97Å; N335-Q338 VanDerWaalsContact O-N 3.08Å; N335-Q338 PolarHBondContact O-NE2 3.38Å; N335-T339 HydrophobicContact CB-CG2 3.62Å
336	T	96.9	Very high	94.8	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.012	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	54.4	35.5	-170.3	-44.9	0	0	0	0	112.1	F333 R334 Q338 G381 L383 G441 P442	F333-T336 WeakPolarHBondContact O-CA 3.47Å; F333-T336 PolarHBondContact O-N 3.36Å; R334-T336 PolarHBondContact O-N 2.83Å; T336-Q338 VanDerWaalsContact C-N 3.3Å; T336-Q338 PolarHBondContact O-N 2.82Å; T336-G381 WeakPolarHBondContact CG2-O 3.34Å; T336-G381 PolarHBondContact OG1-N 3Å; T336-G381 PolarHBondContact OG1-O 3.04Å; T336-L383 HydrophobicContact CG2-CD2 4.32Å; T336-G441 CarbonylContact O-C 3.53Å; T336-G441 VanDerWaalsContact O-CA 3.31Å; T336-G441 WeakPolarHBondContact O-CA 3.47Å; T336-P442 HydrophobicContact CG2-CB 3.85Å; T336-P442 HydrophobicContact CG2-CG 3.77Å; T336-P442 WeakPolarHBondContact O-CD 3.24Å
337	G	94.6	Very high	94.8	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	76.1	9.7	-178.5	0	0	0	0	0	116	K332 R334 N335 T339 C342 F440 G441	K332-G337 WeakPolarHBondContact O-CA 3.46Å; K332-G337 PolarHBondContact O-N 3.27Å; R334-G337 PolarHBondContact O-N 3.45Å; N335-G337 PolarHBondContact O-N 3.11Å; G337-T339 VanDerWaalsContact C-N 3.32Å; G337-T339 PolarHBondContact O-N 3.43Å; G337-C342 VanDerWaalsContact C-SG 3.59Å; G337-F440 WeakPolarHBondContact O-CA 3.32Å; G337-G441 PolarHBondContact O-N 3.38Å
338	Q	95.9	Very high	94.8	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.009	3%	0.033	C	C	.	.			trans	-91.9	54.4	-177	-60.1	168.6	109	0	0	111.6	W204 N205 N335 T336 P382 L383 F440	W204-Q338 HydrophobicContact CH2-CB 3.6Å; W204-Q338 HydrophobicContact CH2-CG 3.85Å; W204-Q338 VanDerWaalsContact CH2-OE1 3.25Å; W204-Q338 HydrophobicContact CZ3-CB 3.85Å; W204-Q338 HydrophobicContact CZ3-CG 4.29Å; N205-Q338 VanDerWaalsContact CB-O 3.27Å; N205-Q338 WeakPolarHBondContact CB-O 3.41Å; N335-Q338 PolarHBondContact ND2-O 3.08Å; N335-Q338 VanDerWaalsContact O-CB 3.24Å; N335-Q338 WeakPolarHBondContact O-CB 3.44Å; N335-Q338 WeakPolarHBondContact O-CG 3.33Å; N335-Q338 PolarHBondContact O-N 2.97Å; N335-Q338 VanDerWaalsContact O-N 3.08Å; N335-Q338 PolarHBondContact O-NE2 3.38Å; T336-Q338 VanDerWaalsContact C-N 3.3Å; T336-Q338 PolarHBondContact O-N 2.82Å; Q338-P382 PolarHBondContact NE2-O 2.97Å; Q338-L383 HydrophobicContact CG-CD2 3.82Å; Q338-L383 VanDerWaalsContact OE1-CA 3.27Å; Q338-F440 HydrophobicContact CB-CD1 4.2Å; Q338-F440 HydrophobicContact CG-CB 4.45Å
339	T	90.9	Very high	94.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-133.2	147.5	173.4	92	0	0	0	0	111.9	F206 N335 G337 V341 C342 F440	F206-T339 HydrophobicContact CE2-CG2 3.5Å; F206-T339 HydrophobicContact CZ-CG2 3.7Å; N335-T339 HydrophobicContact CB-CG2 3.62Å; G337-T339 VanDerWaalsContact C-N 3.32Å; G337-T339 PolarHBondContact O-N 3.43Å; T339-V341 PolarHBondContact O-N 2.7Å; T339-V341 PolarHBondContact OG1-N 3.15Å; T339-C342 WeakPolarHBondContact O-CB 3.32Å; T339-C342 PolarHBondContact O-N 2.74Å; T339-C342 PolarHBondContact OG1-N 3.26Å; T339-C342 PolarHBondContact OG1-SG 3.17Å; T339-F440 VanDerWaalsContact C-CE2 3.49Å; T339-F440 VanDerWaalsContact C-CZ 3.49Å; T339-F440 WeakPolarHBondContact O-CE2 3.28Å
340	C	88.3	Confident	94.8	Very high	8 Å²	8	13.6 Å²	13.6	5%	0.054	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.3	178	51.1	0	0	0	0	113.3	E306 F440 L466	E306-C340 PolarHBondContact OE1-SG 3.21Å; C340-F440 HydrophobicContact CB-CZ 4.25Å; C340-L466 HydrophobicContact CB-CD2 3.58Å
341	V	91.3	Very high	94.9	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.024	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	15.3	175.7	-59.4	0	0	0	0	112.9	T339 S343 L466 A467 Y469 M489 F504	T339-V341 PolarHBondContact O-N 2.7Å; T339-V341 PolarHBondContact OG1-N 3.15Å; V341-S343 PolarHBondContact O-N 2.92Å; V341-L466 HydrophobicContact CG1-CD2 4.05Å; V341-L466 HydrophobicContact CG1-CG 4.14Å; V341-A467 HydrophobicContact CB-CB 3.97Å; V341-A467 HydrophobicContact CG1-CB 3.68Å; V341-Y469 WeakPolarHBondContact O-CE2 3.48Å; V341-Y469 PolarHBondContact O-OH 2.99Å; V341-M489 HydrophobicContact CG1-CE 4.11Å; V341-F504 HydrophobicContact CG1-CE1 4.23Å; V341-F504 HydrophobicContact CG1-CE2 4.39Å; V341-F504 HydrophobicContact CG1-CZ 3.58Å; V341-F504 HydrophobicContact CG2-CZ 4.4Å
342	C	89.9	Confident	95	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-68.1	132.9	168.1	-80.3	0	0	0	0	109.2	S331 G337 T339 N344	S331-C342 WeakPolarHBondContact O-CA 3.46Å; S331-C342 PolarHBondContact O-SG 2.93Å; G337-C342 VanDerWaalsContact C-SG 3.59Å; T339-C342 WeakPolarHBondContact O-CB 3.32Å; T339-C342 PolarHBondContact O-N 2.74Å; T339-C342 PolarHBondContact OG1-N 3.26Å; T339-C342 PolarHBondContact OG1-SG 3.17Å; C342-N344 PolarHBondContact O-N 3.29Å; C342-N344 VanDerWaalsContact O-N 3.15Å; C342-N344 PolarHBondContact O-OD1 2.88Å
343	S	91.2	Very high	95.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	117.4	171.5	37.6	0	0	0	0	109.4	A311 S331 K332 V341 F346	A311-S343 CarbonylContact O-C 3.6Å; A311-S343 WeakPolarHBondContact O-CA 3.45Å; S331-S343 WeakPolarHBondContact CB-OG 3.34Å; S331-S343 PolarHBondContact OG-OG 3.39Å; K332-S343 WeakPolarHBondContact CD-O 3.4Å; K332-S343 WeakPolarHBondContact CE-O 3.41Å; K332-S343 PolarHBondContact N-OG 2.76Å; K332-S343 PolarHBondContact NZ-O 3.02Å; V341-S343 PolarHBondContact O-N 2.92Å; S343-F346 VanDerWaalsContact OG-CZ 3.31Å; S343-F346 WeakPolarHBondContact OG-CZ 3.44Å
344	N	88.7	Confident	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-15.4	-175.8	-78.5	-23.9	0	0	0	112.7	G309 L310 A311 K332 C342 T439 P445	G309-N344 PolarHBondContact O-ND2 3.06Å; L310-N344 HydrophobicContact CD1-CB 3.92Å; A311-N344 PolarHBondContact O-N 2.88Å; K332-N344 PolarHBondContact NZ-OD1 3.15Å; C342-N344 PolarHBondContact O-N 3.29Å; C342-N344 VanDerWaalsContact O-N 3.15Å; C342-N344 PolarHBondContact O-OD1 2.88Å; N344-T439 PolarHBondContact ND2-N 2.64Å; N344-T439 PolarHBondContact OD1-O 3.47Å; N344-T439 VanDerWaalsContact OD1-O 3.13Å; N344-P445 WeakPolarHBondContact O-CD 3.42Å; N344-P445 WeakPolarHBondContact O-CG 3.49Å
345	Q	90.9	Very high	95.3	Very high	9 Å²	9	21.4 Å²	21.4	4%	0.042	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.6	168.5	-57.4	-177.6	15.4	0	0	109.2	A311 P312 F313 L347 T435	A311-Q345 PolarHBondContact O-N 2.82Å; P312-Q345 CarbonylContact C-O 3.52Å; F313-Q345 PolarHBondContact N-O 2.99Å; Q345-L347 HydrophobicContact CB-CD2 4.39Å; Q345-T435 HydrophobicContact CG-CG2 4.38Å; Q345-T435 PolarHBondContact NE2-O 2.95Å
346	F	98.3	Very high	95.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110.4	168.6	-72.4	-86.6	0	0	0	108.4	F313 A328 K332 S343 V348 F356 F360 A444 P445 V446 I447	F313-F346 HydrophobicContact CB-CD1 3.73Å; F313-F346 HydrophobicContact CB-CE1 3.74Å; F313-F346 HydrophobicContact CB-CG 4.45Å; F313-F346 HydrophobicContact CB-CZ 4.5Å; F313-F346 AromaticContact CD1-CD1 3.46Å; F313-F346 HydrophobicContact CD1-CD1 3.46Å; F313-F346 VanDerWaalsContact CD1-CD1 3.46Å; F313-F346 AromaticContact CD1-CE1 3.46Å; F313-F346 HydrophobicContact CD1-CE1 3.46Å; F313-F346 VanDerWaalsContact CD1-CE1 3.46Å; F313-F346 HydrophobicContact CD2-CE1 4.02Å; F313-F346 HydrophobicContact CE1-CD1 4.23Å; F313-F346 AromaticContact CE1-CE1 3.99Å; F313-F346 HydrophobicContact CE1-CE1 3.99Å; F313-F346 AromaticContact CG-CD1 3.73Å; F313-F346 HydrophobicContact CG-CD1 3.73Å; F313-F346 AromaticContact CG-CE1 3.47Å; F313-F346 HydrophobicContact CG-CE1 3.47Å; F313-F346 VanDerWaalsContact CG-CE1 3.47Å; F313-F346 HydrophobicContact CG-CZ 4.44Å; F313-F346 HydrophobicContact CZ-CE1 4.48Å; F313-F346 CarbonylContact O-C 3.59Å; F313-F346 WeakPolarHBondContact O-CA 3.47Å; A328-F346 HydrophobicContact CB-CD1 4.39Å; A328-F346 HydrophobicContact CB-CE1 3.45Å; A328-F346 VanDerWaalsContact CB-CE1 3.45Å; A328-F346 HydrophobicContact CB-CZ 3.98Å; K332-F346 HydrophobicContact CB-CE2 4.31Å; K332-F346 HydrophobicContact CB-CZ 4.05Å; K332-F346 HydrophobicContact CD-CE2 4.05Å; K332-F346 HydrophobicContact CG-CE2 4.34Å; S343-F346 VanDerWaalsContact OG-CZ 3.31Å; S343-F346 WeakPolarHBondContact OG-CZ 3.44Å; F346-V348 HydrophobicContact CB-CG2 4.28Å; F346-F356 HydrophobicContact CD1-CE1 4.31Å; F346-F356 HydrophobicContact CD1-CZ 4.08Å; F346-F356 HydrophobicContact CE1-CZ 4.45Å; F346-F360 HydrophobicContact CD1-CE1 4.32Å; F346-F360 HydrophobicContact CD2-CE1 4.3Å; F346-F360 AromaticContact CE1-CE1 3.99Å; F346-F360 HydrophobicContact CE1-CE1 3.99Å; F346-F360 HydrophobicContact CE1-CZ 4.26Å; F346-F360 AromaticContact CE2-CE1 3.96Å; F346-F360 HydrophobicContact CE2-CE1 3.96Å; F346-F360 HydrophobicContact CE2-CZ 4.22Å; F346-F360 HydrophobicContact CG-CE1 4.47Å; F346-F360 AromaticContact CZ-CE1 3.79Å; F346-F360 HydrophobicContact CZ-CE1 3.79Å; F346-F360 AromaticContact CZ-CZ 3.82Å; F346-F360 HydrophobicContact CZ-CZ 3.82Å; F346-A444 HydrophobicContact CD2-CB 3.91Å; F346-A444 HydrophobicContact CE2-CB 3.65Å; F346-P445 WeakPolarHBondContact CB-O 3.47Å; F346-P445 PolarHBondContact N-O 2.64Å; F346-V446 HydrophobicContact CB-CB 4.39Å; F346-V446 HydrophobicContact CB-CG1 4.45Å; F346-V446 HydrophobicContact CB-CG2 3.96Å; F346-V446 WeakPolarHBondContact O-CA 3.36Å; F346-I447 PolarHBondContact O-N 2.96Å
347	L	98.6	Very high	95.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119	171.8	-51.2	-171.4	0	0	0	106.6	F313 I314 V315 Q345 I447 F449 A455 I458 A459	F313-L347 PolarHBondContact O-N 3.34Å; I314-L347 CarbonylContact C-O 3.57Å; I314-L347 VanDerWaalsContact CA-O 3.29Å; I314-L347 WeakPolarHBondContact CA-O 3.21Å; I314-L347 HydrophobicContact CB-CB 4.5Å; I314-L347 HydrophobicContact CD1-CD1 4.28Å; I314-L347 HydrophobicContact CG1-CB 4.25Å; I314-L347 HydrophobicContact CG1-CD1 4.16Å; I314-L347 HydrophobicContact CG1-CG 4.44Å; I314-L347 HydrophobicContact CG2-CB 4.26Å; V315-L347 PolarHBondContact N-O 2.87Å; Q345-L347 HydrophobicContact CB-CD2 4.39Å; L347-I447 HydrophobicContact CD2-CB 3.88Å; L347-I447 HydrophobicContact CD2-CD1 3.78Å; L347-I447 HydrophobicContact CD2-CG1 4.2Å; L347-I447 HydrophobicContact CD2-CG2 4.42Å; L347-F449 VanDerWaalsContact C-CE1 3.48Å; L347-F449 HydrophobicContact CB-CD1 3.81Å; L347-F449 HydrophobicContact CB-CE1 3.96Å; L347-A455 VanDerWaalsContact CD1-O 3.32Å; L347-A455 WeakPolarHBondContact CD1-O 3.26Å; L347-I458 HydrophobicContact CD1-CB 4.05Å; L347-I458 HydrophobicContact CD1-CG2 3.94Å; L347-I458 HydrophobicContact CD2-CG2 3.75Å; L347-A459 HydrophobicContact CD1-CB 4.13Å
348	V	98.9	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.2	-174.6	-171.5	0	0	0	0	110.8	V315 F346 I352 H353 F356 V446 I447 K448 F449	V315-V348 HydrophobicContact CB-CG1 4.1Å; V315-V348 HydrophobicContact CB-CG2 4.27Å; V315-V348 HydrophobicContact CG1-CG1 4.41Å; V315-V348 HydrophobicContact CG2-CG2 4.42Å; F346-V348 HydrophobicContact CB-CG2 4.28Å; V348-I352 HydrophobicContact CG1-CG2 3.87Å; V348-H353 HydrophobicContact CB-CB 4.5Å; V348-H353 HydrophobicContact CG1-CB 4.02Å; V348-F356 HydrophobicContact CB-CD1 4.49Å; V348-F356 HydrophobicContact CG1-CB 4.06Å; V348-F356 HydrophobicContact CG1-CD1 4.04Å; V348-F356 HydrophobicContact CG1-CG 4.17Å; V348-F356 HydrophobicContact CG2-CD1 3.69Å; V348-F356 HydrophobicContact CG2-CE1 3.78Å; V348-F356 HydrophobicContact CG2-CG 4.48Å; V348-V446 HydrophobicContact CB-CG1 4.19Å; V348-V446 HydrophobicContact CG2-CG1 3.76Å; V348-I447 PolarHBondContact N-O 3.45Å; V348-K448 WeakPolarHBondContact O-CA 3.37Å; V348-F449 VanDerWaalsContact C-CD1 3.5Å; V348-F449 VanDerWaalsContact C-CE1 3.49Å; V348-F449 PolarHBondContact O-N 3.47Å
349	Q	98.8	Very high	95.9	Very high	29 Å²	29	28.4 Å²	28.4	14%	0.136	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	148.6	-172.8	-161	166.4	15	0	0	112.1	V315 D317 G351 I352 H353 F449 D450	V315-Q349 PolarHBondContact O-N 2.8Å; D317-Q349 WeakPolarHBondContact OD1-CB 3.17Å; D317-Q349 WeakPolarHBondContact OD2-CG 3.45Å; Q349-G351 VanDerWaalsContact C-N 3.3Å; Q349-G351 PolarHBondContact O-N 3.19Å; Q349-I352 HydrophobicContact CB-CG2 4.32Å; Q349-I352 PolarHBondContact O-N 2.98Å; Q349-H353 VanDerWaalsContact O-CB 3.31Å; Q349-H353 WeakPolarHBondContact O-CB 3.4Å; Q349-H353 PolarHBondContact O-N 3.37Å; Q349-F449 CarbonylContact C-O 3.56Å; Q349-F449 WeakPolarHBondContact CA-O 3.1Å; Q349-F449 HydrophobicContact CB-CD2 4.23Å; Q349-F449 HydrophobicContact CB-CE1 4.03Å; Q349-F449 HydrophobicContact CB-CE2 3.61Å; Q349-F449 HydrophobicContact CB-CZ 3.5Å; Q349-F449 HydrophobicContact CG-CD2 4.02Å; Q349-F449 HydrophobicContact CG-CE2 3.54Å; Q349-F449 HydrophobicContact CG-CZ 4Å; Q349-F449 VanDerWaalsContact N-CE1 3.32Å; Q349-D450 PolarHBondContact NE2-O 3.17Å
350	R	98.7	Very high	96.2	Very high	153 Å²	153	28.4 Å²	28.4	58%	0.577	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-40.3	-171.8	-177.8	-178.7	-65.2	-131	4.5	114.7	K448 F449 D450	R350-K448 HydrophobicContact CG-CD 4.5Å; R350-F449 PolarHBondContact N-O 3.35Å; R350-D450 IonicContact CZ-OD1 3.54Å; R350-D450 IonicContact CZ-OD2 3.94Å; R350-D450 IonicContact NE-OD1 2.71Å; R350-D450 PolarHBondContact NE-OD1 3Å; R350-D450 IonicContact NE-OD2 3.85Å; R350-D450 IonicContact NH2-OD1 3.75Å; R350-D450 PolarHBondContact NH2-OD1 3.2Å; R350-D450 IonicContact NH2-OD2 3.87Å; R350-D450 PolarHBondContact NH2-OD2 3.13Å
351	G	98.7	Very high	96.7	Very high	63 Å²	63	28.9 Å²	28.9	65%	0.649	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-38.9	-175.6	0	0	0	0	0	113.4	D317 Q349	D317-G351 WeakPolarHBondContact OD1-CA 3.4Å; D317-G351 PolarHBondContact OD1-N 2.8Å; D317-G351 PolarHBondContact OD2-N 3.05Å; Q349-G351 VanDerWaalsContact C-N 3.3Å; Q349-G351 PolarHBondContact O-N 3.19Å
352	I	98.6	Very high	97.1	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.067	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-17.4	-176.4	-160.7	165.9	0	0	0	113.8	V315 D317 A319 V321 V348 Q349 D354 A355 F356	V315-I352 HydrophobicContact CG1-CD1 4.17Å; V315-I352 HydrophobicContact CG1-CG2 4.15Å; D317-I352 WeakPolarHBondContact OD1-CG2 3.42Å; D317-I352 PolarHBondContact OD1-N 2.78Å; A319-I352 HydrophobicContact CB-CD1 3.97Å; A319-I352 WeakPolarHBondContact O-CD1 3.32Å; V321-I352 HydrophobicContact CG2-CD1 3.72Å; V321-I352 HydrophobicContact CG2-CG1 3.75Å; V348-I352 HydrophobicContact CG1-CG2 3.87Å; Q349-I352 HydrophobicContact CB-CG2 4.32Å; Q349-I352 PolarHBondContact O-N 2.98Å; I352-D354 PolarHBondContact O-N 2.88Å; I352-A355 PolarHBondContact O-N 2.86Å; I352-F356 PolarHBondContact O-N 2.89Å
353	H	98.8	Very high	97.5	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.023	19%	0.192	C	C	.	.	H	α-helix	trans	-48.6	-56.8	-171.6	175.5	-79	0	0	0	115	V348 Q349 A355 F356 V357 K448	V348-H353 HydrophobicContact CB-CB 4.5Å; V348-H353 HydrophobicContact CG1-CB 4.02Å; Q349-H353 VanDerWaalsContact O-CB 3.31Å; Q349-H353 WeakPolarHBondContact O-CB 3.4Å; Q349-H353 PolarHBondContact O-N 3.37Å; H353-A355 VanDerWaalsContact C-N 3.27Å; H353-A355 PolarHBondContact O-N 3.22Å; H353-F356 PolarHBondContact O-N 3Å; H353-V357 WeakPolarHBondContact O-CG2 3.17Å; H353-V357 PolarHBondContact O-N 3.44Å; H353-K448 WeakPolarHBondContact CD2-CE 3.36Å; H353-K448 VanDerWaalsContact CE1-CE 3.44Å; H353-K448 WeakPolarHBondContact CE1-CE 3.26Å; H353-K448 WeakPolarHBondContact ND1-CE 3.46Å; H353-K448 PolarHBondContact ND1-NZ 3.03Å
354	D	98.4	Very high	97.9	Very high	107 Å²	107	34.5 Å²	34.5	57%	0.572	19%	0.193	S	C	*	.	H	α-helix	trans	-69.8	-29.8	-170.9	-63.2	5.7	0	0	0	111.2	I352 K358 K448	I352-D354 PolarHBondContact O-N 2.88Å; D354-K358 WeakPolarHBondContact O-CB 3.31Å; D354-K358 PolarHBondContact O-N 2.96Å; D354-K448 IonicContact OD1-NZ 3.69Å; D354-K448 PolarHBondContact OD1-NZ 2.64Å
355	A	98.6	Very high	98.3	Very high	54 Å²	54	43.5 Å²	43.5	45%	0.446	23%	0.232	S	C	.	.	H	α-helix	trans	-70.2	-46.1	172.2	0	0	0	0	0	111.9	I352 H353 A359	I352-A355 PolarHBondContact O-N 2.86Å; H353-A355 VanDerWaalsContact C-N 3.27Å; H353-A355 PolarHBondContact O-N 3.22Å; A355-A359 WeakPolarHBondContact O-CB 3.22Å; A355-A359 PolarHBondContact O-N 3.07Å
356	F	98.9	Very high	98.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-49.3	177.1	174.8	-93.6	0	0	0	111.9	V315 A324 V325 A328 F346 V348 I352 H353 K358 A359 F360	V315-F356 HydrophobicContact CG1-CD2 4.21Å; V315-F356 HydrophobicContact CG2-CD2 4.28Å; V315-F356 HydrophobicContact CG2-CE2 3.93Å; V315-F356 HydrophobicContact CG2-CZ 4.18Å; A324-F356 HydrophobicContact CB-CD2 4.19Å; A324-F356 HydrophobicContact CB-CE2 4Å; V325-F356 HydrophobicContact CG2-CD2 3.7Å; V325-F356 HydrophobicContact CG2-CE2 3.76Å; A328-F356 HydrophobicContact CB-CE2 4.31Å; A328-F356 HydrophobicContact CB-CZ 3.93Å; F346-F356 HydrophobicContact CD1-CE1 4.31Å; F346-F356 HydrophobicContact CD1-CZ 4.08Å; F346-F356 HydrophobicContact CE1-CZ 4.45Å; V348-F356 HydrophobicContact CB-CD1 4.49Å; V348-F356 HydrophobicContact CG1-CB 4.06Å; V348-F356 HydrophobicContact CG1-CD1 4.04Å; V348-F356 HydrophobicContact CG1-CG 4.17Å; V348-F356 HydrophobicContact CG2-CD1 3.69Å; V348-F356 HydrophobicContact CG2-CE1 3.78Å; V348-F356 HydrophobicContact CG2-CG 4.48Å; I352-F356 PolarHBondContact O-N 2.89Å; H353-F356 PolarHBondContact O-N 3Å; F356-K358 VanDerWaalsContact C-N 3.32Å; F356-K358 PolarHBondContact O-N 2.85Å; F356-A359 PolarHBondContact O-N 2.97Å; F356-F360 HydrophobicContact CE1-CB 4.46Å; F356-F360 AromaticContact CE1-CD1 3.78Å; F356-F360 HydrophobicContact CE1-CD1 3.78Å; F356-F360 HydrophobicContact CE1-CE1 4.43Å; F356-F360 HydrophobicContact CE1-CG 4.46Å; F356-F360 AromaticContact CZ-CD1 3.87Å; F356-F360 HydrophobicContact CZ-CD1 3.87Å; F356-F360 HydrophobicContact CZ-CE1 4.33Å; F356-F360 HydrophobicContact CZ-CG 4.35Å; F356-F360 VanDerWaalsContact O-CB 3.25Å; F356-F360 WeakPolarHBondContact O-CB 3.33Å; F356-F360 PolarHBondContact O-N 2.93Å
357	V	98.8	Very high	98.7	Very high	12 Å²	12	54.4 Å²	54.4	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-42.5	-179.4	171.4	0	0	0	0	111.3	H353 A361 V407 L424 C426 V446	H353-V357 WeakPolarHBondContact O-CG2 3.17Å; H353-V357 PolarHBondContact O-N 3.44Å; V357-A361 WeakPolarHBondContact O-CB 3.26Å; V357-A361 PolarHBondContact O-N 3.14Å; V357-V407 HydrophobicContact CG1-CG1 4.29Å; V357-V407 HydrophobicContact CG1-CG2 4.02Å; V357-L424 HydrophobicContact CG1-CD2 4.31Å; V357-C426 HydrophobicContact CG1-CB 4.22Å; V357-V446 HydrophobicContact CG2-CB 4.4Å; V357-V446 HydrophobicContact CG2-CG1 3.9Å; V357-V446 HydrophobicContact CG2-CG2 4.31Å
358	K	98.8	Very high	98.7	Very high	118 Å²	118	55.9 Å²	55.9	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-52.9	175	-179.7	-175	175	-67.2	0	111.7	D354 F356 F360 A361 E362	D354-K358 WeakPolarHBondContact O-CB 3.31Å; D354-K358 PolarHBondContact O-N 2.96Å; F356-K358 VanDerWaalsContact C-N 3.32Å; F356-K358 PolarHBondContact O-N 2.85Å; K358-F360 VanDerWaalsContact C-N 3.3Å; K358-F360 PolarHBondContact O-N 2.59Å; K358-A361 PolarHBondContact O-N 2.8Å; K358-E362 WeakPolarHBondContact CE-OE1 3.4Å; K358-E362 IonicContact NZ-OE1 2.71Å; K358-E362 PolarHBondContact NZ-OE1 2.83Å; K358-E362 IonicContact NZ-OE2 3.18Å; K358-E362 PolarHBondContact NZ-OE2 2.95Å; K358-E362 WeakPolarHBondContact O-CG 3.15Å; K358-E362 PolarHBondContact O-N 3.1Å
359	A	98.8	Very high	98.7	Very high	22 Å²	22	63.4 Å²	63.4	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-35.9	-178	0	0	0	0	0	112.1	V321 V325 A355 F356 E362 A363	V321-A359 HydrophobicContact CG1-CB 3.99Å; V325-A359 HydrophobicContact CG2-CB 3.92Å; A355-A359 WeakPolarHBondContact O-CB 3.22Å; A355-A359 PolarHBondContact O-N 3.07Å; F356-A359 PolarHBondContact O-N 2.97Å; A359-E362 PolarHBondContact O-N 3.11Å; A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 2.77Å
360	F	98.8	Very high	98.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.1	-44.8	176.2	-165.2	-166.7	0	0	0	111.6	V325 A328 M329 F333 F346 F356 K358 E362 A363 M364 L424 A444	V325-F360 HydrophobicContact CG1-CB 4.47Å; V325-F360 HydrophobicContact CG1-CD2 4.34Å; V325-F360 HydrophobicContact CG2-CB 4.16Å; A328-F360 HydrophobicContact CB-CD1 4.44Å; A328-F360 HydrophobicContact CB-CD2 4.24Å; A328-F360 HydrophobicContact CB-CE1 3.95Å; A328-F360 HydrophobicContact CB-CE2 3.7Å; A328-F360 HydrophobicContact CB-CZ 3.56Å; M329-F360 HydrophobicContact CG-CD2 4.08Å; M329-F360 HydrophobicContact CG-CE2 3.9Å; M329-F360 HydrophobicContact SD-CD2 4.01Å; M329-F360 HydrophobicContact SD-CE2 3.81Å; F333-F360 HydrophobicContact CD2-CE2 4.36Å; F333-F360 AromaticContact CE2-CE2 3.68Å; F333-F360 HydrophobicContact CE2-CE2 3.68Å; F333-F360 AromaticContact CE2-CZ 3.75Å; F333-F360 HydrophobicContact CE2-CZ 3.75Å; F346-F360 HydrophobicContact CD1-CE1 4.32Å; F346-F360 HydrophobicContact CD2-CE1 4.3Å; F346-F360 AromaticContact CE1-CE1 3.99Å; F346-F360 HydrophobicContact CE1-CE1 3.99Å; F346-F360 HydrophobicContact CE1-CZ 4.26Å; F346-F360 AromaticContact CE2-CE1 3.96Å; F346-F360 HydrophobicContact CE2-CE1 3.96Å; F346-F360 HydrophobicContact CE2-CZ 4.22Å; F346-F360 HydrophobicContact CG-CE1 4.47Å; F346-F360 AromaticContact CZ-CE1 3.79Å; F346-F360 HydrophobicContact CZ-CE1 3.79Å; F346-F360 AromaticContact CZ-CZ 3.82Å; F346-F360 HydrophobicContact CZ-CZ 3.82Å; F356-F360 HydrophobicContact CE1-CB 4.46Å; F356-F360 AromaticContact CE1-CD1 3.78Å; F356-F360 HydrophobicContact CE1-CD1 3.78Å; F356-F360 HydrophobicContact CE1-CE1 4.43Å; F356-F360 HydrophobicContact CE1-CG 4.46Å; F356-F360 AromaticContact CZ-CD1 3.87Å; F356-F360 HydrophobicContact CZ-CD1 3.87Å; F356-F360 HydrophobicContact CZ-CE1 4.33Å; F356-F360 HydrophobicContact CZ-CG 4.35Å; F356-F360 VanDerWaalsContact O-CB 3.25Å; F356-F360 WeakPolarHBondContact O-CB 3.33Å; F356-F360 PolarHBondContact O-N 2.93Å; K358-F360 VanDerWaalsContact C-N 3.3Å; K358-F360 PolarHBondContact O-N 2.59Å; F360-E362 VanDerWaalsContact C-N 3.32Å; F360-E362 PolarHBondContact O-N 2.98Å; F360-A363 PolarHBondContact O-N 2.87Å; F360-M364 HydrophobicContact CD2-CG 4.15Å; F360-M364 HydrophobicContact CD2-SD 4.33Å; F360-M364 HydrophobicContact CE2-CG 4.24Å; F360-M364 HydrophobicContact CE2-SD 4.38Å; F360-M364 WeakPolarHBondContact O-CB 3.41Å; F360-M364 VanDerWaalsContact O-CG 3.28Å; F360-M364 WeakPolarHBondContact O-CG 3.44Å; F360-M364 PolarHBondContact O-N 3.49Å; F360-L424 HydrophobicContact CB-CD2 4.39Å; F360-L424 HydrophobicContact CD1-CD1 3.66Å; F360-L424 HydrophobicContact CD1-CD2 4.35Å; F360-L424 HydrophobicContact CE1-CD1 3.86Å; F360-A444 HydrophobicContact CE1-CB 4.01Å; F360-A444 HydrophobicContact CZ-CB 4.33Å
361	A	98.8	Very high	98.6	Very high	17 Å²	17	56.3 Å²	56.3	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-40.4	174.1	0	0	0	0	0	112.5	V357 K358 M364 K365 V407 L424	V357-A361 WeakPolarHBondContact O-CB 3.26Å; V357-A361 PolarHBondContact O-N 3.14Å; K358-A361 PolarHBondContact O-N 2.8Å; A361-M364 PolarHBondContact O-N 3.41Å; A361-K365 WeakPolarHBondContact O-CB 3.29Å; A361-K365 PolarHBondContact O-N 3.21Å; A361-V407 HydrophobicContact CB-CG1 3.82Å; A361-L424 HydrophobicContact CB-CD2 3.91Å
362	E	98.8	Very high	98.6	Very high	103 Å²	103	53.9 Å²	53.9	48%	0.481	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-41.1	176.2	-72.7	172.8	156	0	0	111.8	K358 A359 F360 K365 K366	K358-E362 WeakPolarHBondContact CE-OE1 3.4Å; K358-E362 IonicContact NZ-OE1 2.71Å; K358-E362 PolarHBondContact NZ-OE1 2.83Å; K358-E362 IonicContact NZ-OE2 3.18Å; K358-E362 PolarHBondContact NZ-OE2 2.95Å; K358-E362 WeakPolarHBondContact O-CG 3.15Å; K358-E362 PolarHBondContact O-N 3.1Å; A359-E362 PolarHBondContact O-N 3.11Å; F360-E362 VanDerWaalsContact C-N 3.32Å; F360-E362 PolarHBondContact O-N 2.98Å; E362-K365 PolarHBondContact O-N 2.85Å; E362-K366 VanDerWaalsContact O-CB 3.26Å; E362-K366 WeakPolarHBondContact O-CB 3.44Å; E362-K366 PolarHBondContact O-N 3.2Å
363	A	98.8	Very high	98.5	Very high	16 Å²	16	53.5 Å²	53.5	13%	0.132	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-38.9	174.3	0	0	0	0	0	112.6	V325 M329 A359 F360 K366 N367	V325-A363 HydrophobicContact CG1-CB 3.5Å; V325-A363 VanDerWaalsContact CG1-CB 3.5Å; M329-A363 WeakPolarHBondContact CE-O 3.38Å; M329-A363 HydrophobicContact CG-CB 3.97Å; M329-A363 HydrophobicContact SD-CB 3.99Å; A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 2.77Å; F360-A363 PolarHBondContact O-N 2.87Å; A363-K366 PolarHBondContact O-N 2.85Å; A363-N367 WeakPolarHBondContact O-CB 3.46Å; A363-N367 PolarHBondContact O-N 2.97Å; A363-N367 VanDerWaalsContact O-N 3.09Å; A363-N367 PolarHBondContact O-ND2 2.9Å
364	M	98.8	Very high	98.4	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-53.9	173.2	-73.5	172.1	63.4	0	0	110.6	M329 F333 F360 A361 K366 N367 L368 T408 P422 L424	M329-M364 HydrophobicContact SD-CB 4.4Å; M329-M364 HydrophobicContact SD-CG 3.7Å; F333-M364 HydrophobicContact CD2-CG 4.45Å; F333-M364 HydrophobicContact CE1-CE 4.09Å; F333-M364 HydrophobicContact CE2-CE 4.12Å; F333-M364 HydrophobicContact CE2-CG 3.66Å; F333-M364 HydrophobicContact CE2-SD 3.8Å; F333-M364 HydrophobicContact CZ-CE 3.45Å; F333-M364 VanDerWaalsContact CZ-CE 3.45Å; F333-M364 HydrophobicContact CZ-CG 4.01Å; F333-M364 HydrophobicContact CZ-SD 3.66Å; F360-M364 HydrophobicContact CD2-CG 4.15Å; F360-M364 HydrophobicContact CD2-SD 4.33Å; F360-M364 HydrophobicContact CE2-CG 4.24Å; F360-M364 HydrophobicContact CE2-SD 4.38Å; F360-M364 WeakPolarHBondContact O-CB 3.41Å; F360-M364 VanDerWaalsContact O-CG 3.28Å; F360-M364 WeakPolarHBondContact O-CG 3.44Å; F360-M364 PolarHBondContact O-N 3.49Å; A361-M364 PolarHBondContact O-N 3.41Å; M364-K366 VanDerWaalsContact C-N 3.27Å; M364-K366 PolarHBondContact O-N 3.04Å; M364-N367 PolarHBondContact O-N 3.45Å; M364-L368 HydrophobicContact CB-CD1 3.94Å; M364-L368 HydrophobicContact CE-CD1 4.43Å; M364-L368 HydrophobicContact CG-CD1 3.88Å; M364-L368 VanDerWaalsContact O-CB 3.32Å; M364-L368 WeakPolarHBondContact O-CB 3.2Å; M364-L368 WeakPolarHBondContact O-CG 3.28Å; M364-L368 PolarHBondContact O-N 3.41Å; M364-T408 HydrophobicContact CE-CG2 3.6Å; M364-T408 HydrophobicContact SD-CG2 4.24Å; M364-P422 VanDerWaalsContact CE-C 3.48Å; M364-P422 HydrophobicContact CE-CB 3.85Å; M364-P422 WeakPolarHBondContact CE-O 3.45Å; M364-L424 HydrophobicContact CE-CB 4.07Å; M364-L424 HydrophobicContact SD-CB 3.81Å; M364-L424 HydrophobicContact SD-CD2 4.23Å; M364-L424 HydrophobicContact SD-CG 4.43Å
365	K	98.4	Very high	98.4	Very high	188 Å²	188	54.4 Å²	54.4	82%	0.817	27%	0.267	S	S	*	.	H	α-helix	trans	-59.5	-34.3	179.8	-178.1	177.4	177.7	179.6	0	113.3	A361 E362	A361-K365 WeakPolarHBondContact O-CB 3.29Å; A361-K365 PolarHBondContact O-N 3.21Å; E362-K365 PolarHBondContact O-N 2.85Å
366	K	98.3	Very high	98.2	Very high	162 Å²	162	61.4 Å²	61.4	70%	0.704	29%	0.291	S	S	*	.	H	α-helix	trans	-75.5	-39.2	-179.4	-176.3	-178.3	177	-178.4	0	113.1	E362 A363 M364	E362-K366 VanDerWaalsContact O-CB 3.26Å; E362-K366 WeakPolarHBondContact O-CB 3.44Å; E362-K366 PolarHBondContact O-N 3.2Å; A363-K366 PolarHBondContact O-N 2.85Å; M364-K366 VanDerWaalsContact C-N 3.27Å; M364-K366 PolarHBondContact O-N 3.04Å
367	N	98.3	Very high	98	Very high	77 Å²	77	63.2 Å²	63.2	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-115.3	-19.5	-162.7	-55.4	-58.5	0	0	0	114.7	M329 A363 M364 T379	M329-N367 HydrophobicContact CE-CB 3.82Å; A363-N367 WeakPolarHBondContact O-CB 3.46Å; A363-N367 PolarHBondContact O-N 2.97Å; A363-N367 VanDerWaalsContact O-N 3.09Å; A363-N367 PolarHBondContact O-ND2 2.9Å; M364-N367 PolarHBondContact O-N 3.45Å; N367-T379 PolarHBondContact O-OG1 3.17Å
368	L	98.6	Very high	98	Very high	31 Å²	31	63.5 Å²	63.5	16%	0.162	31%	0.311	C	S	.	.			trans	-90.6	119.5	-178.6	-56.8	-177.3	0	0	0	111.2	M329 F333 M364 T379 Q380 P422	M329-L368 HydrophobicContact CE-CD1 4.42Å; M329-L368 HydrophobicContact CE-CD2 3.74Å; M329-L368 HydrophobicContact CE-CG 3.88Å; F333-L368 HydrophobicContact CB-CD1 4.27Å; F333-L368 HydrophobicContact CB-CD2 3.86Å; F333-L368 HydrophobicContact CD1-CD1 3.76Å; F333-L368 HydrophobicContact CD2-CD1 3.76Å; F333-L368 HydrophobicContact CD2-CD2 4.45Å; F333-L368 HydrophobicContact CE1-CD1 4.04Å; F333-L368 HydrophobicContact CE2-CD1 4.03Å; F333-L368 HydrophobicContact CG-CD1 3.64Å; F333-L368 HydrophobicContact CG-CD2 4.13Å; F333-L368 HydrophobicContact CZ-CD1 4.18Å; M364-L368 HydrophobicContact CB-CD1 3.94Å; M364-L368 HydrophobicContact CE-CD1 4.43Å; M364-L368 HydrophobicContact CG-CD1 3.88Å; M364-L368 VanDerWaalsContact O-CB 3.32Å; M364-L368 WeakPolarHBondContact O-CB 3.2Å; M364-L368 WeakPolarHBondContact O-CG 3.28Å; M364-L368 PolarHBondContact O-N 3.41Å; L368-T379 WeakPolarHBondContact CA-OG1 3.36Å; L368-Q380 HydrophobicContact CB-CG 4.07Å; L368-Q380 HydrophobicContact CD2-CG 4.11Å; L368-Q380 HydrophobicContact CG-CG 4.48Å; L368-P422 HydrophobicContact CB-CG 4.13Å; L368-P422 HydrophobicContact CD1-CB 3.45Å; L368-P422 VanDerWaalsContact CD1-CB 3.45Å; L368-P422 HydrophobicContact CD1-CG 3.84Å
369	R	98.6	Very high	98	Very high	158 Å²	158	60.4 Å²	60.4	60%	0.596	30%	0.302	S	S	*	.			trans	-125.1	111.9	178.1	-59.9	-170.8	-173.2	175.3	1.8	108.9	G377 T379 Q380	R369-G377 WeakPolarHBondContact CD-O 3.29Å; R369-T379 PolarHBondContact N-OG1 2.92Å; R369-T379 PolarHBondContact O-N 2.82Å; R369-Q380 PolarHBondContact O-N 3.14Å
370	V	98.8	Very high	98	Very high	27 Å²	27	59.4 Å²	59.4	16%	0.164	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-82.6	121.3	178.8	-172.4	0	0	0	0	109.2	Q380 H413 L415 F419 P422	V370-Q380 WeakPolarHBondContact CA-O 3.37Å; V370-Q380 HydrophobicContact CB-CB 4.45Å; V370-Q380 HydrophobicContact CG2-CB 3.98Å; V370-H413 HydrophobicContact CG1-CB 4.37Å; V370-H413 WeakPolarHBondContact CG1-ND1 3.45Å; V370-L415 HydrophobicContact CG1-CD1 4.46Å; V370-F419 HydrophobicContact CG1-CB 4.08Å; V370-F419 HydrophobicContact CG1-CD1 3.49Å; V370-F419 VanDerWaalsContact CG1-CD1 3.49Å; V370-F419 HydrophobicContact CG1-CE1 4.22Å; V370-F419 HydrophobicContact CG1-CG 4.1Å; V370-P422 HydrophobicContact CG2-CG 4.15Å
371	G	98.2	Very high	98	Very high	6 Å²	6	59.5 Å²	59.5	6%	0.062	29%	0.294	C	S	.	.	S	Bend	trans	-168.9	-178.5	-174.8	0	0	0	0	0	112.4	T378 Q380 F419	G371-T378 WeakPolarHBondContact O-CG2 3.26Å; G371-Q380 PolarHBondContact N-O 3.31Å; G371-Q380 VanDerWaalsContact N-O 3.13Å; G371-F419 VanDerWaalsContact O-CE1 3.24Å; G371-F419 WeakPolarHBondContact O-CE1 3.26Å
372	N	97.9	Very high	98	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.064	29%	0.288	C	S	.	.			trans	-69.9	145.1	173.7	-175.1	-93.6	0	0	0	110.2	R50 A82 F374 E375 T378	R50-N372 PolarHBondContact NH1-OD1 3.41Å; A82-N372 VanDerWaalsContact CB-ND2 3.27Å; A82-N372 WeakPolarHBondContact CB-ND2 3.46Å; N372-F374 PolarHBondContact O-N 3.3Å; N372-F374 WeakPolarHBondContact OD1-CB 3.38Å; N372-F374 WeakPolarHBondContact OD1-CD2 3.37Å; N372-F374 PolarHBondContact OD1-N 2.95Å; N372-F374 VanDerWaalsContact OD1-N 3.12Å; N372-E375 HydrophobicContact CB-CG 4.27Å; N372-E375 WeakPolarHBondContact CB-OE1 3.41Å; N372-E375 VanDerWaalsContact CB-OE2 3.24Å; N372-E375 WeakPolarHBondContact CB-OE2 3.45Å; N372-E375 PolarHBondContact N-OE2 3.42Å; N372-E375 PolarHBondContact O-N 2.86Å; N372-T378 WeakPolarHBondContact O-CB 3.28Å; N372-T378 WeakPolarHBondContact O-CG2 3.19Å; N372-T378 PolarHBondContact O-OG1 3.09Å
373	G	97.4	Very high	98	Very high	4 Å²	4	53.9 Å²	53.9	4%	0.041	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.9	-177.2	0	0	0	0	0	115.1	L150	L150-G373 WeakPolarHBondContact CB-O 3.19Å; L150-G373 PolarHBondContact N-O 3.11Å
374	F	96.4	Very high	97.9	Very high	45 Å²	45	53.7 Å²	53.7	20%	0.197	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.5	175	-64.7	-73.7	0	0	0	114.8	R50 R140 T143 A144 N372	R50-F374 HydrophobicContact CB-CD2 4.39Å; R50-F374 HydrophobicContact CB-CE2 4.44Å; R140-F374 HydrophobicContact CB-CE1 4.06Å; R140-F374 HydrophobicContact CG-CE1 4.04Å; R140-F374 WeakPolarHBondContact O-CZ 3.34Å; T143-F374 HydrophobicContact CG2-CD1 3.72Å; T143-F374 HydrophobicContact CG2-CD2 3.83Å; T143-F374 HydrophobicContact CG2-CE1 3.61Å; T143-F374 HydrophobicContact CG2-CE2 3.73Å; T143-F374 HydrophobicContact CG2-CG 3.83Å; T143-F374 HydrophobicContact CG2-CZ 3.63Å; A144-F374 HydrophobicContact CB-CE2 4.13Å; A144-F374 HydrophobicContact CB-CZ 4.01Å; N372-F374 PolarHBondContact O-N 3.3Å; N372-F374 WeakPolarHBondContact OD1-CB 3.38Å; N372-F374 WeakPolarHBondContact OD1-CD2 3.37Å; N372-F374 PolarHBondContact OD1-N 2.95Å; N372-F374 VanDerWaalsContact OD1-N 3.12Å
375	E	97	Very high	97.9	Very high	87 Å²	87	55.3 Å²	55.3	41%	0.407	27%	0.271	S	S	.	.	S	Bend	trans	-84.4	138.3	-178.9	-80.8	142.5	-151.8	0	0	111.5	R50 N372 G377 T378	R50-E375 IonicContact CZ-OE1 3.98Å; R50-E375 IonicContact NH1-OE1 2.72Å; R50-E375 PolarHBondContact NH1-OE1 3.5Å; R50-E375 IonicContact NH2-OE1 3.73Å; R50-E375 PolarHBondContact NH2-OE1 2.95Å; R50-E375 VanDerWaalsContact NH2-OE1 3.07Å; N372-E375 HydrophobicContact CB-CG 4.27Å; N372-E375 WeakPolarHBondContact CB-OE1 3.41Å; N372-E375 VanDerWaalsContact CB-OE2 3.24Å; N372-E375 WeakPolarHBondContact CB-OE2 3.45Å; N372-E375 PolarHBondContact N-OE2 3.42Å; N372-E375 PolarHBondContact O-N 2.86Å; E375-G377 PolarHBondContact O-N 3.47Å; E375-T378 WeakPolarHBondContact O-CB 3.32Å; E375-T378 PolarHBondContact O-N 3.47Å; E375-T378 PolarHBondContact O-OG1 2.89Å
376	E	94.3	Very high	97.8	Very high	201 Å²	201	49.9 Å²	49.9	94%	0.939	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	130.7	-173.3	-171.9	179.1	176.4	0	0	111.6	T378	E376-T378 PolarHBondContact O-N 3.4Å
377	G	96.3	Very high	97.8	Very high	38 Å²	38	49.3 Å²	49.3	39%	0.392	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	1.4	-177.9	0	0	0	0	0	114.8	R369 E375 T379	R369-G377 WeakPolarHBondContact CD-O 3.29Å; E375-G377 PolarHBondContact O-N 3.47Å; G377-T379 PolarHBondContact O-N 3.2Å
378	T	98.5	Very high	97.7	Very high	18 Å²	18	46.4 Å²	46.4	11%	0.11	23%	0.233	C	C	.	.			trans	-56.2	129.4	164.3	-66.8	0	0	0	0	109.2	P149 G371 N372 E375 E376 Q380	P149-T378 HydrophobicContact CG-CG2 4.32Å; G371-T378 WeakPolarHBondContact O-CG2 3.26Å; N372-T378 WeakPolarHBondContact O-CB 3.28Å; N372-T378 WeakPolarHBondContact O-CG2 3.19Å; N372-T378 PolarHBondContact O-OG1 3.09Å; E375-T378 WeakPolarHBondContact O-CB 3.32Å; E375-T378 PolarHBondContact O-N 3.47Å; E375-T378 PolarHBondContact O-OG1 2.89Å; E376-T378 PolarHBondContact O-N 3.4Å; T378-Q380 WeakPolarHBondContact CG2-O 3.27Å
379	T	98.4	Very high	97.7	Very high	52 Å²	52	45 Å²	45	32%	0.319	23%	0.225	S	C	.	.			trans	-124.2	-7.4	174.2	53.1	0	0	0	0	112.8	N367 L368 R369 G377	N367-T379 PolarHBondContact O-OG1 3.17Å; L368-T379 WeakPolarHBondContact CA-OG1 3.36Å; R369-T379 PolarHBondContact N-OG1 2.92Å; R369-T379 PolarHBondContact O-N 2.82Å; G377-T379 PolarHBondContact O-N 3.2Å
380	Q	98.8	Very high	97.7	Very high	2 Å²	2	42 Å²	42	1%	0.009	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-128.3	115.3	169.8	-65.4	-68.8	-95.6	0	0	109.4	F333 L368 R369 V370 G371 T378 P422	F333-Q380 PolarHBondContact O-NE2 3.01Å; L368-Q380 HydrophobicContact CB-CG 4.07Å; L368-Q380 HydrophobicContact CD2-CG 4.11Å; L368-Q380 HydrophobicContact CG-CG 4.48Å; R369-Q380 PolarHBondContact O-N 3.14Å; V370-Q380 WeakPolarHBondContact CA-O 3.37Å; V370-Q380 HydrophobicContact CB-CB 4.45Å; V370-Q380 HydrophobicContact CG2-CB 3.98Å; G371-Q380 PolarHBondContact N-O 3.31Å; G371-Q380 VanDerWaalsContact N-O 3.13Å; T378-Q380 WeakPolarHBondContact CG2-O 3.27Å; Q380-P422 HydrophobicContact CG-CG 3.91Å
381	G	98.5	Very high	97.6	Very high	1 Å²	1	44 Å²	44	1%	0.01	23%	0.225	C	C	.	.			trans	-80.2	-178.7	169	0	0	0	0	0	111.8	T336	T336-G381 WeakPolarHBondContact CG2-O 3.34Å; T336-G381 PolarHBondContact OG1-N 3Å; T336-G381 PolarHBondContact OG1-O 3.04Å
382	P	98.6	Very high	97.6	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	22%	0.222	C	C	.	.			trans	-68.2	168.4	172.4	36.5	-40.4	0	0	0	111.5	P81 A82 G147 Q338 N418 F419	P81-P382 HydrophobicContact CB-CG 4.08Å; P81-P382 HydrophobicContact CG-CG 4.01Å; A82-P382 HydrophobicContact CB-CB 4.41Å; A82-P382 HydrophobicContact CB-CG 3.82Å; G147-P382 WeakPolarHBondContact O-CD 3.33Å; Q338-P382 PolarHBondContact NE2-O 2.97Å; P382-N418 HydrophobicContact CB-CB 4.03Å; P382-F419 HydrophobicContact CB-CD1 3.93Å; P382-F419 HydrophobicContact CB-CE1 3.79Å; P382-F419 HydrophobicContact CB-CG 4.42Å; P382-F419 HydrophobicContact CB-CZ 4.16Å; P382-F419 HydrophobicContact CG-CE1 4.33Å
383	L	98.7	Very high	97.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.23	C	C	.	.			trans	-73.8	155.8	156.7	-62.5	176.9	0	0	0	110.4	T336 Q338 N385 A388 V389 V392 N418 F420	T336-L383 HydrophobicContact CG2-CD2 4.32Å; Q338-L383 HydrophobicContact CG-CD2 3.82Å; Q338-L383 VanDerWaalsContact OE1-CA 3.27Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 2.89Å; L383-A388 HydrophobicContact CB-CB 3.9Å; L383-A388 HydrophobicContact CD1-CB 4.18Å; L383-A388 HydrophobicContact CG-CB 4.49Å; L383-V389 HydrophobicContact CB-CG2 4.45Å; L383-V389 HydrophobicContact CD1-CB 4.45Å; L383-V389 HydrophobicContact CD1-CG2 4.17Å; L383-V392 HydrophobicContact CD1-CG2 4.06Å; L383-N418 HydrophobicContact CB-CB 4.46Å; L383-N418 PolarHBondContact N-O 3.06Å; L383-N418 WeakPolarHBondContact O-CB 3.46Å; L383-F420 HydrophobicContact CD1-CB 4.18Å
384	I	98.3	Very high	97.7	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.067	25%	0.249	C	C	.	.	S	Bend	trans	-60.8	-35.3	-172.8	-169.9	62.6	0	0	0	114.1	P81 W204 D232 T233 A388	P81-I384 WeakPolarHBondContact CB-O 3.32Å; W204-I384 HydrophobicContact CD2-CB 4.11Å; W204-I384 HydrophobicContact CD2-CD1 4.26Å; W204-I384 HydrophobicContact CD2-CG1 3.79Å; W204-I384 HydrophobicContact CD2-CG2 4.21Å; W204-I384 HydrophobicContact CE3-CB 3.84Å; W204-I384 HydrophobicContact CE3-CD1 3.91Å; W204-I384 HydrophobicContact CE3-CG1 3.77Å; W204-I384 HydrophobicContact CE3-CG2 4.31Å; W204-I384 HydrophobicContact CG-CG1 4.2Å; W204-I384 HydrophobicContact CH2-CB 3.77Å; W204-I384 HydrophobicContact CH2-CG2 3.56Å; W204-I384 HydrophobicContact CZ2-CB 4.06Å; W204-I384 HydrophobicContact CZ2-CG2 3.45Å; W204-I384 VanDerWaalsContact CZ2-CG2 3.45Å; W204-I384 HydrophobicContact CZ3-CB 3.67Å; W204-I384 HydrophobicContact CZ3-CD1 4.46Å; W204-I384 HydrophobicContact CZ3-CG1 4.16Å; W204-I384 HydrophobicContact CZ3-CG2 4.01Å; D232-I384 HydrophobicContact CB-CD1 4.07Å; D232-I384 HydrophobicContact CB-CG1 3.96Å; T233-I384 HydrophobicContact CG2-CD1 4.25Å; I384-A388 HydrophobicContact CG2-CB 4.32Å
385	N	97.4	Very high	97.7	Very high	38 Å²	38	48.2 Å²	48.2	20%	0.203	24%	0.24	C	C	.	.	S	Bend	trans	-163.6	170	176.5	59.2	61.5	0	0	0	111.7	D232 L383 K387 A388 N418	D232-N385 PolarHBondContact OD1-ND2 3.22Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 2.89Å; N385-K387 PolarHBondContact O-N 2.85Å; N385-K387 VanDerWaalsContact O-N 3.07Å; N385-K387 PolarHBondContact OD1-N 3.31Å; N385-A388 WeakPolarHBondContact O-CB 3.34Å; N385-A388 PolarHBondContact O-N 3.38Å; N385-N418 VanDerWaalsContact C-OD1 3.22Å
386	E	97.4	Very high	97.8	Very high	74 Å²	74	44.2 Å²	44.2	35%	0.346	22%	0.222	S	C	.	.	H	α-helix	trans	-47.7	-38.8	-177.5	-178.1	60.2	-157.5	0	0	113.5	A388 V389 E390 R412 N418	E386-A388 VanDerWaalsContact C-N 3.27Å; E386-A388 PolarHBondContact O-N 2.71Å; E386-V389 WeakPolarHBondContact O-CA 3.41Å; E386-V389 VanDerWaalsContact O-CB 3.25Å; E386-V389 WeakPolarHBondContact O-CB 3.11Å; E386-V389 PolarHBondContact O-N 2.75Å; E386-E390 HydrophobicContact CG-CG 4.4Å; E386-E390 WeakPolarHBondContact O-CG 3.24Å; E386-E390 PolarHBondContact O-N 3.17Å; E386-R412 IonicContact OE1-CZ 3Å; E386-R412 IonicContact OE1-NH1 2.74Å; E386-R412 PolarHBondContact OE1-NH1 3.29Å; E386-R412 IonicContact OE1-NH2 2.73Å; E386-R412 PolarHBondContact OE1-NH2 3.05Å; E386-R412 IonicContact OE2-CZ 2.68Å; E386-R412 IonicContact OE2-NH1 3.95Å; E386-R412 PolarHBondContact OE2-NH1 3.25Å; E386-N418 PolarHBondContact N-OD1 2.97Å
387	K	96.9	Very high	98	Very high	149 Å²	149	39.6 Å²	39.6	65%	0.648	20%	0.204	S	C	*	.	H	α-helix	trans	-68.7	-23.8	-178.4	-60.2	-159.8	168.2	-160.1	0	114	N385 E390 K391	N385-K387 PolarHBondContact O-N 2.85Å; N385-K387 VanDerWaalsContact O-N 3.07Å; N385-K387 PolarHBondContact OD1-N 3.31Å; K387-E390 WeakPolarHBondContact CA-OE2 3.4Å; K387-K391 WeakPolarHBondContact O-CB 3.14Å; K387-K391 PolarHBondContact O-N 3.08Å
388	A	97.4	Very high	98.1	Very high	17 Å²	17	39.2 Å²	39.2	14%	0.14	19%	0.193	C	C	.	.	H	α-helix	trans	-73	-35.8	170	0	0	0	0	0	110.7	L383 I384 N385 E386 K391 V392	L383-A388 HydrophobicContact CB-CB 3.9Å; L383-A388 HydrophobicContact CD1-CB 4.18Å; L383-A388 HydrophobicContact CG-CB 4.49Å; I384-A388 HydrophobicContact CG2-CB 4.32Å; N385-A388 WeakPolarHBondContact O-CB 3.34Å; N385-A388 PolarHBondContact O-N 3.38Å; E386-A388 VanDerWaalsContact C-N 3.27Å; E386-A388 PolarHBondContact O-N 2.71Å; A388-K391 PolarHBondContact O-N 3.34Å; A388-V392 WeakPolarHBondContact O-CG2 3.38Å; A388-V392 PolarHBondContact O-N 3.07Å; A388-V392 VanDerWaalsContact O-N 3.12Å
389	V	98.2	Very high	98.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-52.5	173.6	-162.2	0	0	0	0	110.4	L383 E386 K391 V392 E393 R412 N418 F420	L383-V389 HydrophobicContact CB-CG2 4.45Å; L383-V389 HydrophobicContact CD1-CB 4.45Å; L383-V389 HydrophobicContact CD1-CG2 4.17Å; E386-V389 WeakPolarHBondContact O-CA 3.41Å; E386-V389 VanDerWaalsContact O-CB 3.25Å; E386-V389 WeakPolarHBondContact O-CB 3.11Å; E386-V389 PolarHBondContact O-N 2.75Å; V389-K391 PolarHBondContact O-N 2.75Å; V389-V392 PolarHBondContact O-N 3.22Å; V389-V392 VanDerWaalsContact O-N 3.1Å; V389-E393 HydrophobicContact CG1-CG 4.48Å; V389-E393 WeakPolarHBondContact O-CG 3.11Å; V389-E393 PolarHBondContact O-N 3.03Å; V389-R412 HydrophobicContact CG1-CG 3.8Å; V389-N418 HydrophobicContact CG2-CB 4.21Å; V389-F420 HydrophobicContact CG1-CD2 3.98Å
390	E	98	Very high	98.1	Very high	97 Å²	97	38.8 Å²	38.8	45%	0.453	19%	0.19	S	C	.	.	H	α-helix	trans	-51	-40.4	176	-68.5	172.6	165.3	0	0	111.6	E386 K387 K394	E386-E390 HydrophobicContact CG-CG 4.4Å; E386-E390 WeakPolarHBondContact O-CG 3.24Å; E386-E390 PolarHBondContact O-N 3.17Å; K387-E390 WeakPolarHBondContact CA-OE2 3.4Å; E390-K394 WeakPolarHBondContact O-CB 3.39Å; E390-K394 PolarHBondContact O-N 3.38Å
391	K	97.3	Very high	98.1	Very high	68 Å²	68	43.5 Å²	43.5	30%	0.296	22%	0.223	S	C	.	.	H	α-helix	trans	-67.9	-48.2	178.4	-170.8	179	-176.5	176.8	0	112.4	K387 A388 V389 E393 K394 Q395 E437 E438	K387-K391 WeakPolarHBondContact O-CB 3.14Å; K387-K391 PolarHBondContact O-N 3.08Å; A388-K391 PolarHBondContact O-N 3.34Å; V389-K391 PolarHBondContact O-N 2.75Å; K391-E393 VanDerWaalsContact C-N 3.32Å; K391-E393 PolarHBondContact O-N 3.41Å; K391-K394 WeakPolarHBondContact O-CB 3.39Å; K391-K394 PolarHBondContact O-N 2.85Å; K391-Q395 WeakPolarHBondContact O-CG 3.45Å; K391-Q395 PolarHBondContact O-N 3.36Å; K391-E437 WeakPolarHBondContact CE-OE2 3.28Å; K391-E437 IonicContact NZ-OE2 3.83Å; K391-E437 PolarHBondContact NZ-OE2 3.12Å; K391-E438 PolarHBondContact NZ-O 3.2Å
392	V	98.1	Very high	98.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-40.6	179.6	179.6	0	0	0	0	110.3	L383 A388 V389 Q395 V396 F420 L443	L383-V392 HydrophobicContact CD1-CG2 4.06Å; A388-V392 WeakPolarHBondContact O-CG2 3.38Å; A388-V392 PolarHBondContact O-N 3.07Å; A388-V392 VanDerWaalsContact O-N 3.12Å; V389-V392 PolarHBondContact O-N 3.22Å; V389-V392 VanDerWaalsContact O-N 3.1Å; V392-Q395 PolarHBondContact O-N 3.2Å; V392-V396 HydrophobicContact CG1-CG2 4.43Å; V392-V396 WeakPolarHBondContact O-CG2 3.23Å; V392-V396 PolarHBondContact O-N 3.01Å; V392-F420 HydrophobicContact CB-CE1 4.49Å; V392-F420 HydrophobicContact CG1-CD1 3.66Å; V392-F420 HydrophobicContact CG1-CE1 3.41Å; V392-F420 VanDerWaalsContact CG1-CE1 3.41Å; V392-F420 HydrophobicContact CG1-CE2 4.39Å; V392-F420 HydrophobicContact CG1-CG 4.26Å; V392-F420 HydrophobicContact CG1-CZ 3.81Å; V392-L443 HydrophobicContact CG1-CB 4.2Å; V392-L443 HydrophobicContact CG1-CD2 4.41Å
393	E	98.1	Very high	98	Very high	52 Å²	52	49.8 Å²	49.8	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-48.5	172.6	-73.7	179.6	133.2	0	0	112.2	V389 K391 Q395 V396 N397 R412 F420	V389-E393 HydrophobicContact CG1-CG 4.48Å; V389-E393 WeakPolarHBondContact O-CG 3.11Å; V389-E393 PolarHBondContact O-N 3.03Å; K391-E393 VanDerWaalsContact C-N 3.32Å; K391-E393 PolarHBondContact O-N 3.41Å; E393-Q395 VanDerWaalsContact C-N 3.29Å; E393-Q395 PolarHBondContact O-N 2.9Å; E393-V396 PolarHBondContact O-N 3.36Å; E393-N397 WeakPolarHBondContact O-CB 3.13Å; E393-N397 VanDerWaalsContact O-CG 3.24Å; E393-N397 PolarHBondContact O-N 2.94Å; E393-N397 PolarHBondContact O-ND2 3.4Å; E393-R412 VanDerWaalsContact CD-NE 3.25Å; E393-R412 WeakPolarHBondContact OE1-CD 3.49Å; E393-R412 VanDerWaalsContact OE1-CG 3.27Å; E393-R412 WeakPolarHBondContact OE1-CG 3.28Å; E393-R412 IonicContact OE1-CZ 3.4Å; E393-R412 IonicContact OE1-NE 3.78Å; E393-R412 PolarHBondContact OE1-NE 3.4Å; E393-R412 IonicContact OE1-NH2 3.67Å; E393-R412 IonicContact OE2-CZ 2.93Å; E393-R412 IonicContact OE2-NE 2.75Å; E393-R412 PolarHBondContact OE2-NE 3.19Å; E393-R412 IonicContact OE2-NH2 3.25Å; E393-R412 PolarHBondContact OE2-NH2 2.56Å; E393-F420 HydrophobicContact CG-CD2 4.46Å; E393-F420 HydrophobicContact CG-CE2 3.59Å; E393-F420 HydrophobicContact CG-CZ 4.33Å
394	K	98.1	Very high	98	Very high	101 Å²	101	50 Å²	50	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-55.6	-44.6	175.4	-176.7	-158.3	174.6	-154.6	0	111.5	E390 K391 D398 L433 E437	E390-K394 WeakPolarHBondContact O-CB 3.39Å; E390-K394 PolarHBondContact O-N 3.38Å; K391-K394 WeakPolarHBondContact O-CB 3.39Å; K391-K394 PolarHBondContact O-N 2.85Å; K394-D398 WeakPolarHBondContact O-CB 3.34Å; K394-D398 PolarHBondContact O-N 2.99Å; K394-L433 HydrophobicContact CD-CD1 4.37Å; K394-L433 VanDerWaalsContact CE-CD1 3.5Å; K394-L433 HydrophobicContact CG-CD1 4.47Å; K394-E437 IonicContact NZ-OE1 2.64Å; K394-E437 PolarHBondContact NZ-OE1 3.2Å; K394-E437 IonicContact NZ-OE2 3.83Å
395	Q	98.1	Very high	98.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-70.4	-38.4	-177.8	-71	175.9	-55.5	0	0	113	K391 V392 E393 A399 C434 E437 T439 L443	K391-Q395 WeakPolarHBondContact O-CG 3.45Å; K391-Q395 PolarHBondContact O-N 3.36Å; V392-Q395 PolarHBondContact O-N 3.2Å; E393-Q395 VanDerWaalsContact C-N 3.29Å; E393-Q395 PolarHBondContact O-N 2.9Å; Q395-A399 WeakPolarHBondContact O-CB 3.27Å; Q395-A399 PolarHBondContact O-N 3.4Å; Q395-C434 HydrophobicContact CB-CB 4.41Å; Q395-E437 PolarHBondContact NE2-O 3.02Å; Q395-T439 PolarHBondContact NE2-OG1 3.2Å; Q395-L443 HydrophobicContact CB-CD2 3.87Å
396	V	98.4	Very high	98.1	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-47.5	172.8	174.3	0	0	0	0	110.8	V392 E393 D398 A399 V400 F420 T423 L443	V392-V396 HydrophobicContact CG1-CG2 4.43Å; V392-V396 WeakPolarHBondContact O-CG2 3.23Å; V392-V396 PolarHBondContact O-N 3.01Å; E393-V396 PolarHBondContact O-N 3.36Å; V396-D398 PolarHBondContact O-N 2.75Å; V396-A399 PolarHBondContact O-N 3.07Å; V396-V400 HydrophobicContact CG1-CG2 4.23Å; V396-V400 WeakPolarHBondContact O-CB 3.22Å; V396-V400 WeakPolarHBondContact O-CG2 3.47Å; V396-V400 PolarHBondContact O-N 2.82Å; V396-F420 HydrophobicContact CG2-CE1 4.47Å; V396-F420 HydrophobicContact CG2-CZ 4.4Å; V396-T423 HydrophobicContact CG2-CG2 4.1Å; V396-L443 HydrophobicContact CG2-CD1 3.85Å; V396-L443 HydrophobicContact CG2-CD2 3.99Å
397	N	98.3	Very high	98.2	Very high	104 Å²	104	52.8 Å²	52.8	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-66	-38.7	-177.2	-71.1	-36.2	0	0	0	112.7	E393 S401	E393-N397 WeakPolarHBondContact O-CB 3.13Å; E393-N397 VanDerWaalsContact O-CG 3.24Å; E393-N397 PolarHBondContact O-N 2.94Å; E393-N397 PolarHBondContact O-ND2 3.4Å; N397-S401 VanDerWaalsContact O-CB 3.3Å; N397-S401 WeakPolarHBondContact O-CB 3.46Å; N397-S401 PolarHBondContact O-N 3.48Å; N397-S401 PolarHBondContact O-OG 3.33Å
398	D	98.6	Very high	98.2	Very high	30 Å²	30	48.2 Å²	48.2	16%	0.16	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-51.1	172.8	176.8	88.9	0	0	0	111.2	K394 V396 V400 S401 K402 L433	K394-D398 WeakPolarHBondContact O-CB 3.34Å; K394-D398 PolarHBondContact O-N 2.99Å; V396-D398 PolarHBondContact O-N 2.75Å; D398-V400 PolarHBondContact O-N 3.3Å; D398-S401 PolarHBondContact O-N 2.96Å; D398-S401 PolarHBondContact O-OG 3.27Å; D398-K402 VanDerWaalsContact CG-NZ 3.26Å; D398-K402 WeakPolarHBondContact O-CG 3.45Å; D398-K402 PolarHBondContact O-N 2.85Å; D398-K402 VanDerWaalsContact O-N 3.11Å; D398-K402 VanDerWaalsContact OD1-CE 3.24Å; D398-K402 WeakPolarHBondContact OD1-CE 3.43Å; D398-K402 IonicContact OD1-NZ 2.7Å; D398-K402 PolarHBondContact OD1-NZ 3.05Å; D398-K402 WeakPolarHBondContact OD2-CE 3.5Å; D398-K402 IonicContact OD2-NZ 3.53Å; D398-K402 PolarHBondContact OD2-NZ 3.15Å; D398-L433 HydrophobicContact CB-CB 4.2Å; D398-L433 HydrophobicContact CB-CD1 3.84Å; D398-L433 HydrophobicContact CB-CG 4.12Å; D398-L433 VanDerWaalsContact CG-CG 3.48Å; D398-L433 WeakPolarHBondContact OD2-CB 3.43Å; D398-L433 WeakPolarHBondContact OD2-CG 3.39Å; D398-L433 PolarHBondContact OD2-N 3.07Å
399	A	98.3	Very high	98.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-46.7	-179.1	0	0	0	0	0	112.1	Q395 V396 K402 G403 A404 L425 M432	Q395-A399 WeakPolarHBondContact O-CB 3.27Å; Q395-A399 PolarHBondContact O-N 3.4Å; V396-A399 PolarHBondContact O-N 3.07Å; A399-K402 CarbonylContact O-C 3.51Å; A399-K402 PolarHBondContact O-N 3.16Å; A399-G403 PolarHBondContact O-N 2.85Å; A399-A404 VanDerWaalsContact C-CB 3.48Å; A399-A404 HydrophobicContact CB-CB 3.83Å; A399-A404 WeakPolarHBondContact O-CB 3.48Å; A399-A404 PolarHBondContact O-N 2.78Å; A399-L425 HydrophobicContact CB-CD1 3.72Å; A399-M432 VanDerWaalsContact CA-SD 3.57Å; A399-M432 HydrophobicContact CB-CB 4.4Å; A399-M432 HydrophobicContact CB-CG 4.46Å; A399-M432 HydrophobicContact CB-SD 3.62Å; A399-M432 WeakPolarHBondContact O-CE 3.47Å
400	V	98.5	Very high	98.2	Very high	61 Å²	61	49.5 Å²	49.5	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-38.9	179	173.9	0	0	0	0	111.6	V396 D398 K402 G403 V406	V396-V400 HydrophobicContact CG1-CG2 4.23Å; V396-V400 WeakPolarHBondContact O-CB 3.22Å; V396-V400 WeakPolarHBondContact O-CG2 3.47Å; V396-V400 PolarHBondContact O-N 2.82Å; D398-V400 PolarHBondContact O-N 3.3Å; V400-K402 PolarHBondContact O-N 3.22Å; V400-G403 PolarHBondContact O-N 2.91Å; V400-V406 HydrophobicContact CG2-CG2 3.62Å
401	S	98.3	Very high	98.3	Very high	100 Å²	100	50.7 Å²	50.7	70%	0.699	29%	0.293	S	S	*	.	H	α-helix	trans	-68.4	-19.1	176.7	66.8	0	0	0	0	113.7	N397 D398	N397-S401 VanDerWaalsContact O-CB 3.3Å; N397-S401 WeakPolarHBondContact O-CB 3.46Å; N397-S401 PolarHBondContact O-N 3.48Å; N397-S401 PolarHBondContact O-OG 3.33Å; D398-S401 PolarHBondContact O-N 2.96Å; D398-S401 PolarHBondContact O-OG 3.27Å
402	K	98.4	Very high	98.3	Very high	85 Å²	85	51.1 Å²	51.1	37%	0.37	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0.5	171.3	-69.3	168.7	176.6	170.4	0	114.5	D398 A399 V400 D431 M432	D398-K402 VanDerWaalsContact CG-NZ 3.26Å; D398-K402 WeakPolarHBondContact O-CG 3.45Å; D398-K402 PolarHBondContact O-N 2.85Å; D398-K402 VanDerWaalsContact O-N 3.11Å; D398-K402 VanDerWaalsContact OD1-CE 3.24Å; D398-K402 WeakPolarHBondContact OD1-CE 3.43Å; D398-K402 IonicContact OD1-NZ 2.7Å; D398-K402 PolarHBondContact OD1-NZ 3.05Å; D398-K402 WeakPolarHBondContact OD2-CE 3.5Å; D398-K402 IonicContact OD2-NZ 3.53Å; D398-K402 PolarHBondContact OD2-NZ 3.15Å; A399-K402 CarbonylContact O-C 3.51Å; A399-K402 PolarHBondContact O-N 3.16Å; V400-K402 PolarHBondContact O-N 3.22Å; K402-D431 PolarHBondContact NZ-O 2.85Å; K402-M432 HydrophobicContact CB-CE 3.8Å; K402-M432 HydrophobicContact CB-CG 4.23Å; K402-M432 HydrophobicContact CD-CB 4.45Å; K402-M432 HydrophobicContact CD-CG 3.9Å
403	G	98.1	Very high	98.4	Very high	49 Å²	49	52.6 Å²	52.6	51%	0.505	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.2	1.7	174.5	0	0	0	0	0	116.4	A399 V400	A399-G403 PolarHBondContact O-N 2.85Å; V400-G403 PolarHBondContact O-N 2.91Å
404	A	98.4	Very high	98.3	Very high	6 Å²	6	58.8 Å²	58.8	5%	0.05	33%	0.328	C	S	.	.			trans	-62.4	143.5	172.6	0	0	0	0	0	111.3	A399 L425 V428 M432	A399-A404 VanDerWaalsContact C-CB 3.48Å; A399-A404 HydrophobicContact CB-CB 3.83Å; A399-A404 WeakPolarHBondContact O-CB 3.48Å; A399-A404 PolarHBondContact O-N 2.78Å; A404-L425 HydrophobicContact CB-CB 4.47Å; A404-L425 HydrophobicContact CB-CD1 4.43Å; A404-V428 HydrophobicContact CB-CG2 4.06Å; A404-M432 HydrophobicContact CB-CE 3.88Å; A404-M432 HydrophobicContact CB-SD 3.84Å
405	T	98.7	Very high	98.3	Very high	66 Å²	66	58.1 Å²	58.1	41%	0.405	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.7	-177.9	-53.5	0	0	0	0	110.1	V407 L425 C426 N427	T405-V407 PolarHBondContact O-N 3.46Å; T405-L425 WeakPolarHBondContact O-CA 3.48Å; T405-C426 PolarHBondContact N-O 3.09Å; T405-C426 PolarHBondContact O-N 3.47Å; T405-N427 PolarHBondContact OG1-ND2 3.16Å
406	V	98.8	Very high	98.2	Very high	62 Å²	62	59.4 Å²	59.4	38%	0.376	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.2	174.3	-172.1	0	0	0	0	109.4	V400 L425	V400-V406 HydrophobicContact CG2-CG2 3.62Å; V406-L425 HydrophobicContact CB-CD2 4.13Å; V406-L425 HydrophobicContact CG1-CD2 4.27Å; V406-L425 HydrophobicContact CG2-CD2 3.75Å
407	V	98.7	Very high	98.1	Very high	56 Å²	56	64.5 Å²	64.5	34%	0.339	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-37.3	177.2	-173	0	0	0	0	110.8	V357 A361 T405 L424 C426	V357-V407 HydrophobicContact CG1-CG1 4.29Å; V357-V407 HydrophobicContact CG1-CG2 4.02Å; A361-V407 HydrophobicContact CB-CG1 3.82Å; T405-V407 PolarHBondContact O-N 3.46Å; V407-L424 HydrophobicContact CB-CB 4.21Å; V407-L424 HydrophobicContact CB-CD2 4.09Å; V407-L424 HydrophobicContact CB-CG 4.14Å; V407-L424 WeakPolarHBondContact CB-O 3.47Å; V407-L424 HydrophobicContact CG1-CD2 4.07Å; V407-L424 HydrophobicContact CG2-CD2 4.49Å; V407-L424 HydrophobicContact CG2-CG 4.34Å; V407-L424 PolarHBondContact N-O 3.4Å; V407-C426 HydrophobicContact CG2-CB 3.97Å; V407-C426 VanDerWaalsContact CG2-SG 3.51Å
408	T	98.4	Very high	98.1	Very high	53 Å²	53	60.8 Å²	60.8	33%	0.325	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	159	170.5	-169.1	0	0	0	0	110.3	M364 T423 L424	M364-T408 HydrophobicContact CE-CG2 3.6Å; M364-T408 HydrophobicContact SD-CG2 4.24Å; T408-T423 WeakPolarHBondContact O-CA 3.47Å; T408-L424 HydrophobicContact CG2-CB 4.03Å; T408-L424 PolarHBondContact O-N 3.43Å; T408-L424 VanDerWaalsContact O-N 3.09Å
409	G	98.4	Very high	98.1	Very high	23 Å²	23	59.8 Å²	59.8	24%	0.237	34%	0.338	C	S	.	.			trans	73.2	-133.9	-178.5	0	0	0	0	0	113.5	E421	G409-E421 WeakPolarHBondContact CA-OE2 3.44Å
410	G	97.2	Very high	98.1	Very high	20 Å²	20	60 Å²	60	21%	0.206	34%	0.339	C	S	.	.			trans	102.8	2.9	172.5	0	0	0	0	0	116	T423	G410-T423 PolarHBondContact N-OG1 3.36Å
411	K	98.3	Very high	98.2	Very high	123 Å²	123	59 Å²	59	54%	0.535	33%	0.331	S	S	.	.	S	Bend	trans	-154.9	172.4	-171.2	60.8	-175.5	178.9	-172.6	0	112.6	F420 E421	K411-F420 WeakPolarHBondContact O-CD2 3.33Å; K411-F420 WeakPolarHBondContact O-CE2 3.33Å; K411-E421 WeakPolarHBondContact CE-OE1 3.2Å; K411-E421 WeakPolarHBondContact CE-OE2 3.49Å; K411-E421 HydrophobicContact CG-CG 4.32Å; K411-E421 VanDerWaalsContact CG-OE2 3.3Å; K411-E421 WeakPolarHBondContact CG-OE2 3.18Å; K411-E421 IonicContact NZ-OE1 3.24Å; K411-E421 WeakPolarHBondContact O-CB 3.18Å; K411-E421 WeakPolarHBondContact O-CG 3.22Å; K411-E421 PolarHBondContact O-N 3.09Å
412	R	98.6	Very high	98.2	Very high	76 Å²	76	55.1 Å²	55.1	29%	0.287	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-59.5	138.6	168.9	-59.6	-173	-174.4	-138	2	110.6	E386 V389 E393 F420	E386-R412 IonicContact OE1-CZ 3Å; E386-R412 IonicContact OE1-NH1 2.74Å; E386-R412 PolarHBondContact OE1-NH1 3.29Å; E386-R412 IonicContact OE1-NH2 2.73Å; E386-R412 PolarHBondContact OE1-NH2 3.05Å; E386-R412 IonicContact OE2-CZ 2.68Å; E386-R412 IonicContact OE2-NH1 3.95Å; E386-R412 PolarHBondContact OE2-NH1 3.25Å; V389-R412 HydrophobicContact CG1-CG 3.8Å; E393-R412 VanDerWaalsContact CD-NE 3.25Å; E393-R412 WeakPolarHBondContact OE1-CD 3.49Å; E393-R412 VanDerWaalsContact OE1-CG 3.27Å; E393-R412 WeakPolarHBondContact OE1-CG 3.28Å; E393-R412 IonicContact OE1-CZ 3.4Å; E393-R412 IonicContact OE1-NE 3.78Å; E393-R412 PolarHBondContact OE1-NE 3.4Å; E393-R412 IonicContact OE1-NH2 3.67Å; E393-R412 IonicContact OE2-CZ 2.93Å; E393-R412 IonicContact OE2-NE 2.75Å; E393-R412 PolarHBondContact OE2-NE 3.19Å; E393-R412 IonicContact OE2-NH2 3.25Å; E393-R412 PolarHBondContact OE2-NH2 2.56Å; R412-F420 HydrophobicContact CG-CD2 4.18Å; R412-F420 HydrophobicContact CG-CE2 4.36Å
413	H	98.7	Very high	98.2	Very high	33 Å²	33	51.1 Å²	51.1	15%	0.153	29%	0.286	C	S	.	.			trans	-75.2	152.2	179.2	-179	-118.7	0	0	0	110.9	V370 L415 G416 F419 E421	V370-H413 HydrophobicContact CG1-CB 4.37Å; V370-H413 WeakPolarHBondContact CG1-ND1 3.45Å; H413-L415 PolarHBondContact O-N 3.25Å; H413-G416 PolarHBondContact O-N 2.93Å; H413-F419 HydrophobicContact CB-CB 3.99Å; H413-F419 PolarHBondContact N-O 2.89Å; H413-E421 HydrophobicContact CB-CG 3.9Å
414	Q	97.9	Very high	98.2	Very high	182 Å²	182	48.8 Å²	48.8	85%	0.85	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-13.5	-176	65.1	176.6	9.6	0	0	115.8	G416	Q414-G416 PolarHBondContact O-N 3.11Å
415	L	97.2	Very high	98.2	Very high	87 Å²	87	48.5 Å²	48.5	46%	0.455	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.2	170.4	-68.4	173.9	0	0	0	113.4	V370 H413 F419	V370-L415 HydrophobicContact CG1-CD1 4.46Å; H413-L415 PolarHBondContact O-N 3.25Å; L415-F419 HydrophobicContact CB-CB 4.26Å; L415-F419 HydrophobicContact CB-CD2 3.63Å; L415-F419 HydrophobicContact CB-CE2 4.2Å; L415-F419 HydrophobicContact CB-CG 4.1Å; L415-F419 HydrophobicContact CD1-CD2 4.21Å; L415-F419 HydrophobicContact CD1-CE2 4.25Å; L415-F419 HydrophobicContact CD1-CG 4.34Å; L415-F419 HydrophobicContact CD1-CZ 4.41Å
416	G	96.4	Very high	98.2	Very high	28 Å²	28	46 Å²	46	29%	0.289	25%	0.245	S	C	.	.			trans	66.1	-156.9	-178.6	0	0	0	0	0	113.3	H413 Q414 N418 F419	H413-G416 PolarHBondContact O-N 2.93Å; Q414-G416 PolarHBondContact O-N 3.11Å; G416-N418 PolarHBondContact O-N 2.82Å; G416-F419 WeakPolarHBondContact O-CB 3.35Å; G416-F419 WeakPolarHBondContact O-CD2 3.49Å; G416-F419 PolarHBondContact O-N 3.48Å; G416-F419 VanDerWaalsContact O-N 3.13Å
417	K	96.4	Very high	98.1	Very high	111 Å²	111	47.3 Å²	47.3	48%	0.483	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	-132.6	-177.6	-49.1	177.2	-166	173.2	0	110.5	A82 S83 F419	A82-K417 WeakPolarHBondContact O-CD 3.14Å; A82-K417 PolarHBondContact O-NZ 3.47Å; A82-K417 VanDerWaalsContact O-NZ 3.1Å; S83-K417 VanDerWaalsContact C-NZ 3.35Å; S83-K417 PolarHBondContact O-NZ 3.45Å; K417-F419 VanDerWaalsContact C-N 3.31Å; K417-F419 PolarHBondContact O-N 3.04Å
418	N	98.2	Very high	98.1	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.134	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	9.5	-178.5	-51	-45.4	0	0	0	114.5	P81 P382 L383 N385 E386 V389 G416	P81-N418 PolarHBondContact O-ND2 2.78Å; P382-N418 HydrophobicContact CB-CB 4.03Å; L383-N418 HydrophobicContact CB-CB 4.46Å; L383-N418 PolarHBondContact N-O 3.06Å; L383-N418 WeakPolarHBondContact O-CB 3.46Å; N385-N418 VanDerWaalsContact C-OD1 3.22Å; E386-N418 PolarHBondContact N-OD1 2.97Å; V389-N418 HydrophobicContact CG2-CB 4.21Å; G416-N418 PolarHBondContact O-N 2.82Å
419	F	98.8	Very high	98	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.039	24%	0.237	C	C	.	.			trans	-84.2	126.2	179.7	-68.5	-73.5	0	0	0	111.8	A82 V370 G371 P382 H413 L415 G416 K417	A82-F419 HydrophobicContact CB-CE1 4.44Å; A82-F419 HydrophobicContact CB-CE2 4.1Å; A82-F419 HydrophobicContact CB-CZ 3.56Å; V370-F419 HydrophobicContact CG1-CB 4.08Å; V370-F419 HydrophobicContact CG1-CD1 3.49Å; V370-F419 VanDerWaalsContact CG1-CD1 3.49Å; V370-F419 HydrophobicContact CG1-CE1 4.22Å; V370-F419 HydrophobicContact CG1-CG 4.1Å; G371-F419 VanDerWaalsContact O-CE1 3.24Å; G371-F419 WeakPolarHBondContact O-CE1 3.26Å; P382-F419 HydrophobicContact CB-CD1 3.93Å; P382-F419 HydrophobicContact CB-CE1 3.79Å; P382-F419 HydrophobicContact CB-CG 4.42Å; P382-F419 HydrophobicContact CB-CZ 4.16Å; P382-F419 HydrophobicContact CG-CE1 4.33Å; H413-F419 HydrophobicContact CB-CB 3.99Å; H413-F419 PolarHBondContact N-O 2.89Å; L415-F419 HydrophobicContact CB-CB 4.26Å; L415-F419 HydrophobicContact CB-CD2 3.63Å; L415-F419 HydrophobicContact CB-CE2 4.2Å; L415-F419 HydrophobicContact CB-CG 4.1Å; L415-F419 HydrophobicContact CD1-CD2 4.21Å; L415-F419 HydrophobicContact CD1-CE2 4.25Å; L415-F419 HydrophobicContact CD1-CG 4.34Å; L415-F419 HydrophobicContact CD1-CZ 4.41Å; G416-F419 WeakPolarHBondContact O-CB 3.35Å; G416-F419 WeakPolarHBondContact O-CD2 3.49Å; G416-F419 PolarHBondContact O-N 3.48Å; G416-F419 VanDerWaalsContact O-N 3.13Å; K417-F419 VanDerWaalsContact C-N 3.31Å; K417-F419 PolarHBondContact O-N 3.04Å
420	F	98.8	Very high	97.8	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.022	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-118.2	149.1	177.2	-157.5	-98.4	0	0	0	111.1	L383 V389 V392 E393 V396 K411 R412 T423 P442	L383-F420 HydrophobicContact CD1-CB 4.18Å; V389-F420 HydrophobicContact CG1-CD2 3.98Å; V392-F420 HydrophobicContact CB-CE1 4.49Å; V392-F420 HydrophobicContact CG1-CD1 3.66Å; V392-F420 HydrophobicContact CG1-CE1 3.41Å; V392-F420 VanDerWaalsContact CG1-CE1 3.41Å; V392-F420 HydrophobicContact CG1-CE2 4.39Å; V392-F420 HydrophobicContact CG1-CG 4.26Å; V392-F420 HydrophobicContact CG1-CZ 3.81Å; E393-F420 HydrophobicContact CG-CD2 4.46Å; E393-F420 HydrophobicContact CG-CE2 3.59Å; E393-F420 HydrophobicContact CG-CZ 4.33Å; V396-F420 HydrophobicContact CG2-CE1 4.47Å; V396-F420 HydrophobicContact CG2-CZ 4.4Å; K411-F420 WeakPolarHBondContact O-CD2 3.33Å; K411-F420 WeakPolarHBondContact O-CE2 3.33Å; R412-F420 HydrophobicContact CG-CD2 4.18Å; R412-F420 HydrophobicContact CG-CE2 4.36Å; F420-T423 WeakPolarHBondContact CE1-OG1 3.24Å; F420-P442 HydrophobicContact CB-CG 4.35Å; F420-P442 HydrophobicContact CD1-CG 4.29Å
421	E	98.8	Very high	97.6	Very high	40 Å²	40	51.8 Å²	51.8	19%	0.187	26%	0.259	C	S	.	.			trans	-75.1	132.6	177.7	-65.4	-175.3	171.8	0	0	110.9	G409 K411 H413 T423	G409-E421 WeakPolarHBondContact CA-OE2 3.44Å; K411-E421 WeakPolarHBondContact CE-OE1 3.2Å; K411-E421 WeakPolarHBondContact CE-OE2 3.49Å; K411-E421 HydrophobicContact CG-CG 4.32Å; K411-E421 VanDerWaalsContact CG-OE2 3.3Å; K411-E421 WeakPolarHBondContact CG-OE2 3.18Å; K411-E421 IonicContact NZ-OE1 3.24Å; K411-E421 WeakPolarHBondContact O-CB 3.18Å; K411-E421 WeakPolarHBondContact O-CG 3.22Å; K411-E421 PolarHBondContact O-N 3.09Å; H413-E421 HydrophobicContact CB-CG 3.9Å; E421-T423 PolarHBondContact O-N 3.36Å; E421-T423 PolarHBondContact O-OG1 2.92Å
422	P	98.7	Very high	97.5	Very high	19 Å²	19	46 Å²	46	12%	0.123	23%	0.234	C	C	.	.			trans	-57	116.6	171.9	-26.9	36.4	0	0	0	111.1	F333 M364 L368 V370 Q380	F333-P422 HydrophobicContact CD1-CB 4.27Å; F333-P422 HydrophobicContact CE1-CB 3.89Å; M364-P422 VanDerWaalsContact CE-C 3.48Å; M364-P422 HydrophobicContact CE-CB 3.85Å; M364-P422 WeakPolarHBondContact CE-O 3.45Å; L368-P422 HydrophobicContact CB-CG 4.13Å; L368-P422 HydrophobicContact CD1-CB 3.45Å; L368-P422 VanDerWaalsContact CD1-CB 3.45Å; L368-P422 HydrophobicContact CD1-CG 3.84Å; V370-P422 HydrophobicContact CG2-CG 4.15Å; Q380-P422 HydrophobicContact CG-CG 3.91Å
423	T	98.8	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.4	-164.1	-61	0	0	0	0	111	V396 T408 G410 F420 E421 L425 P442 L443 A444	V396-T423 HydrophobicContact CG2-CG2 4.1Å; T408-T423 WeakPolarHBondContact O-CA 3.47Å; G410-T423 PolarHBondContact N-OG1 3.36Å; F420-T423 WeakPolarHBondContact CE1-OG1 3.24Å; E421-T423 PolarHBondContact O-N 3.36Å; E421-T423 PolarHBondContact O-OG1 2.92Å; T423-L425 HydrophobicContact CG2-CD2 3.79Å; T423-L425 HydrophobicContact CG2-CG 4.19Å; T423-P442 PolarHBondContact N-O 3.26Å; T423-L443 HydrophobicContact CG2-CD1 3.62Å; T423-A444 PolarHBondContact O-N 2.98Å
424	L	98.8	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.7	172.5	-176.6	66.2	0	0	0	108.4	V357 F360 A361 M364 V407 T408 A444 V446	V357-L424 HydrophobicContact CG1-CD2 4.31Å; F360-L424 HydrophobicContact CB-CD2 4.39Å; F360-L424 HydrophobicContact CD1-CD1 3.66Å; F360-L424 HydrophobicContact CD1-CD2 4.35Å; F360-L424 HydrophobicContact CE1-CD1 3.86Å; A361-L424 HydrophobicContact CB-CD2 3.91Å; M364-L424 HydrophobicContact CE-CB 4.07Å; M364-L424 HydrophobicContact SD-CB 3.81Å; M364-L424 HydrophobicContact SD-CD2 4.23Å; M364-L424 HydrophobicContact SD-CG 4.43Å; V407-L424 HydrophobicContact CB-CB 4.21Å; V407-L424 HydrophobicContact CB-CD2 4.09Å; V407-L424 HydrophobicContact CB-CG 4.14Å; V407-L424 WeakPolarHBondContact CB-O 3.47Å; V407-L424 HydrophobicContact CG1-CD2 4.07Å; V407-L424 HydrophobicContact CG2-CD2 4.49Å; V407-L424 HydrophobicContact CG2-CG 4.34Å; V407-L424 PolarHBondContact N-O 3.4Å; T408-L424 HydrophobicContact CG2-CB 4.03Å; T408-L424 PolarHBondContact O-N 3.43Å; T408-L424 VanDerWaalsContact O-N 3.09Å; L424-A444 WeakPolarHBondContact CA-O 3.42Å; L424-A444 HydrophobicContact CD1-CB 3.66Å; L424-V446 HydrophobicContact CD1-CG2 3.72Å
425	L	98.7	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.5	173.5	-52.8	-175.9	0	0	0	108.9	A399 A404 T405 V406 T423 V428 L443 A444 V446	A399-L425 HydrophobicContact CB-CD1 3.72Å; A404-L425 HydrophobicContact CB-CB 4.47Å; A404-L425 HydrophobicContact CB-CD1 4.43Å; T405-L425 WeakPolarHBondContact O-CA 3.48Å; V406-L425 HydrophobicContact CB-CD2 4.13Å; V406-L425 HydrophobicContact CG1-CD2 4.27Å; V406-L425 HydrophobicContact CG2-CD2 3.75Å; T423-L425 HydrophobicContact CG2-CD2 3.79Å; T423-L425 HydrophobicContact CG2-CG 4.19Å; L425-V428 HydrophobicContact CB-CG2 3.82Å; L425-L443 HydrophobicContact CD1-CD1 3.9Å; L425-L443 HydrophobicContact CG-CD1 3.87Å; L425-A444 PolarHBondContact N-O 3.35Å; L425-V446 WeakPolarHBondContact O-CB 3.35Å; L425-V446 PolarHBondContact O-N 3.4Å
426	C	97.8	Very high	95.6	Very high	15 Å²	15	36.3 Å²	36.3	10%	0.101	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	175.3	165.8	68.9	0	0	0	0	110.5	V357 T405 V407 V428 V446	V357-C426 HydrophobicContact CG1-CB 4.22Å; T405-C426 PolarHBondContact N-O 3.09Å; T405-C426 PolarHBondContact O-N 3.47Å; V407-C426 HydrophobicContact CG2-CB 3.97Å; V407-C426 VanDerWaalsContact CG2-SG 3.51Å; C426-V428 PolarHBondContact O-N 2.97Å; C426-V446 HydrophobicContact CB-CB 4.48Å
427	N	97.7	Very high	95.1	Very high	89 Å²	89	37.5 Å²	37.5	48%	0.476	19%	0.189	S	C	.	.	S	Bend	trans	57.4	34.5	-171.1	-51.4	-39.7	0	0	0	112.2	T405	T405-N427 PolarHBondContact OG1-ND2 3.16Å
428	V	98.2	Very high	94.5	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.03	18%	0.177	C	C	.	.			trans	-80.8	138.2	173.9	179.6	0	0	0	0	109.1	A404 L425 C426 M432 T435 P445 V446 I447	A404-V428 HydrophobicContact CB-CG2 4.06Å; L425-V428 HydrophobicContact CB-CG2 3.82Å; C426-V428 PolarHBondContact O-N 2.97Å; V428-M432 HydrophobicContact CB-SD 4.08Å; V428-M432 HydrophobicContact CG1-CB 4.31Å; V428-M432 HydrophobicContact CG1-CG 4.35Å; V428-M432 HydrophobicContact CG1-SD 3.61Å; V428-M432 HydrophobicContact CG2-SD 4.34Å; V428-T435 HydrophobicContact CG1-CG2 3.84Å; V428-P445 HydrophobicContact CB-CB 4.29Å; V428-P445 HydrophobicContact CG1-CB 3.98Å; V428-P445 HydrophobicContact CG2-CB 3.79Å; V428-V446 WeakPolarHBondContact CB-O 3.26Å; V428-V446 PolarHBondContact N-O 3.13Å; V428-V446 VanDerWaalsContact N-O 3.15Å; V428-I447 HydrophobicContact CB-CG1 4.14Å; V428-I447 HydrophobicContact CG1-CG1 4.06Å
429	T	96.1	Very high	93.8	Very high	61 Å²	61	33.3 Å²	33.3	37%	0.374	17%	0.17	S	C	.	.			trans	-111.8	162.9	175.5	55.1	0	0	0	0	110.9	D431 M432	T429-D431 WeakPolarHBondContact CB-OD1 3.49Å; T429-D431 PolarHBondContact O-N 3.29Å; T429-D431 PolarHBondContact OG1-OD1 3.12Å; T429-M432 PolarHBondContact O-N 2.69Å; T429-M432 WeakPolarHBondContact OG1-CE 3.14Å
430	Q	93.4	Very high	93.6	Very high	87 Å²	87	35 Å²	35	41%	0.407	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18	-174.6	-161.2	176.8	11.3	0	0	113.6	M432 T435 H436	Q430-M432 PolarHBondContact O-N 2.89Å; Q430-T435 VanDerWaalsContact C-OG1 3.28Å; Q430-T435 PolarHBondContact O-OG1 3.41Å; Q430-H436 PolarHBondContact O-CE1 2.87Å; Q430-H436 PolarHBondContact O-ND1 3.28Å
431	D	93.8	Very high	93.5	Very high	93 Å²	93	34.7 Å²	34.7	50%	0.497	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.1	179.2	66.8	-78.5	0	0	0	115.3	K402 T429	K402-D431 PolarHBondContact NZ-O 2.85Å; T429-D431 WeakPolarHBondContact CB-OD1 3.49Å; T429-D431 PolarHBondContact O-N 3.29Å; T429-D431 PolarHBondContact OG1-OD1 3.12Å
432	M	96.6	Very high	93.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.168	C	C	.	.	S	Bend	trans	-77	157	-179.4	-60.3	-172.6	179.6	0	0	112.1	A399 K402 A404 V428 T429 Q430 C434 T435 H436	A399-M432 VanDerWaalsContact CA-SD 3.57Å; A399-M432 HydrophobicContact CB-CB 4.4Å; A399-M432 HydrophobicContact CB-CG 4.46Å; A399-M432 HydrophobicContact CB-SD 3.62Å; A399-M432 WeakPolarHBondContact O-CE 3.47Å; K402-M432 HydrophobicContact CB-CE 3.8Å; K402-M432 HydrophobicContact CB-CG 4.23Å; K402-M432 HydrophobicContact CD-CB 4.45Å; K402-M432 HydrophobicContact CD-CG 3.9Å; A404-M432 HydrophobicContact CB-CE 3.88Å; A404-M432 HydrophobicContact CB-SD 3.84Å; V428-M432 HydrophobicContact CB-SD 4.08Å; V428-M432 HydrophobicContact CG1-CB 4.31Å; V428-M432 HydrophobicContact CG1-CG 4.35Å; V428-M432 HydrophobicContact CG1-SD 3.61Å; V428-M432 HydrophobicContact CG2-SD 4.34Å; T429-M432 PolarHBondContact O-N 2.69Å; T429-M432 WeakPolarHBondContact OG1-CE 3.14Å; Q430-M432 PolarHBondContact O-N 2.89Å; M432-C434 VanDerWaalsContact C-N 3.31Å; M432-C434 PolarHBondContact O-N 2.9Å; M432-T435 PolarHBondContact N-OG1 3.32Å; M432-T435 PolarHBondContact O-N 2.87Å; M432-T435 PolarHBondContact O-OG1 2.88Å; M432-H436 PolarHBondContact O-ND1 3.42Å
433	L	90.2	Very high	93.4	Very high	42 Å²	42	31.9 Å²	31.9	22%	0.22	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-70.6	-26.5	-177.4	-75.6	179.1	0	0	0	113.3	K394 D398 T435 H436 E437	K394-L433 HydrophobicContact CD-CD1 4.37Å; K394-L433 VanDerWaalsContact CE-CD1 3.5Å; K394-L433 HydrophobicContact CG-CD1 4.47Å; D398-L433 HydrophobicContact CB-CB 4.2Å; D398-L433 HydrophobicContact CB-CD1 3.84Å; D398-L433 HydrophobicContact CB-CG 4.12Å; D398-L433 VanDerWaalsContact CG-CG 3.48Å; D398-L433 WeakPolarHBondContact OD2-CB 3.43Å; D398-L433 WeakPolarHBondContact OD2-CG 3.39Å; D398-L433 PolarHBondContact OD2-N 3.07Å; L433-T435 PolarHBondContact O-N 2.76Å; L433-H436 PolarHBondContact O-N 3.37Å; L433-E437 WeakPolarHBondContact O-CB 3.46Å; L433-E437 PolarHBondContact O-N 3.31Å
434	C	88.4	Confident	93.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-68.8	-19	175.2	55.8	0	0	0	0	113.5	Q395 M432 L443 P445	Q395-C434 HydrophobicContact CB-CB 4.41Å; M432-C434 VanDerWaalsContact C-N 3.31Å; M432-C434 PolarHBondContact O-N 2.9Å; C434-L443 HydrophobicContact CB-CD2 4.43Å; C434-P445 HydrophobicContact CB-CB 4.4Å; C434-P445 HydrophobicContact CB-CG 4.21Å
435	T	86.9	Confident	93.4	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.043	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-94.6	2.4	176.4	56.6	0	0	0	0	113.3	L310 Q345 V428 Q430 M432 L433 I447	L310-T435 WeakPolarHBondContact CD2-O 3.41Å; Q345-T435 HydrophobicContact CG-CG2 4.38Å; Q345-T435 PolarHBondContact NE2-O 2.95Å; V428-T435 HydrophobicContact CG1-CG2 3.84Å; Q430-T435 VanDerWaalsContact C-OG1 3.28Å; Q430-T435 PolarHBondContact O-OG1 3.41Å; M432-T435 PolarHBondContact N-OG1 3.32Å; M432-T435 PolarHBondContact O-N 2.87Å; M432-T435 PolarHBondContact O-OG1 2.88Å; L433-T435 PolarHBondContact O-N 2.76Å; T435-I447 HydrophobicContact CG2-CD1 3.65Å; T435-I447 HydrophobicContact CG2-CG1 4.42Å
436	H	86.1	Confident	93.4	Very high	126 Å²	126	31.9 Å²	31.9	58%	0.583	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-37.4	176.6	-67.8	89.9	0	0	0	113	Q430 M432 L433	Q430-H436 PolarHBondContact O-CE1 2.87Å; Q430-H436 PolarHBondContact O-ND1 3.28Å; M432-H436 PolarHBondContact O-ND1 3.42Å; L433-H436 PolarHBondContact O-N 3.37Å
437	E	85.6	Confident	93.4	Very high	53 Å²	53	31.7 Å²	31.7	25%	0.248	16%	0.159	C	C	.	.	S	Bend	trans	-97.1	129.9	-178.3	-64.2	-169.8	-143.2	0	0	111.9	K391 K394 Q395 L433 T439	K391-E437 WeakPolarHBondContact CE-OE2 3.28Å; K391-E437 IonicContact NZ-OE2 3.83Å; K391-E437 PolarHBondContact NZ-OE2 3.12Å; K394-E437 IonicContact NZ-OE1 2.64Å; K394-E437 PolarHBondContact NZ-OE1 3.2Å; K394-E437 IonicContact NZ-OE2 3.83Å; Q395-E437 PolarHBondContact NE2-O 3.02Å; L433-E437 WeakPolarHBondContact O-CB 3.46Å; L433-E437 PolarHBondContact O-N 3.31Å; E437-T439 PolarHBondContact O-N 3.3Å; E437-T439 PolarHBondContact O-OG1 2.82Å
438	E	84.8	Confident	93.4	Very high	48 Å²	48	31.1 Å²	31.1	22%	0.224	15%	0.153	C	C	.	.			trans	-52.7	121.4	172.2	171.9	172.4	-131	0	0	111.7	G308 G309 K391 F440	G308-E438 WeakPolarHBondContact CA-OE1 3.22Å; G308-E438 WeakPolarHBondContact CA-OE2 3.43Å; G309-E438 PolarHBondContact N-OE1 3.12Å; G309-E438 WeakPolarHBondContact O-CG 3.41Å; K391-E438 PolarHBondContact NZ-O 3.2Å; E438-F440 HydrophobicContact CG-CD2 3.7Å; E438-F440 HydrophobicContact CG-CE2 3.7Å; E438-F440 VanDerWaalsContact OE1-CE2 3.25Å; E438-F440 WeakPolarHBondContact OE1-CE2 3.48Å
439	T	83.6	Confident	93.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.			trans	-106.1	83.5	-166.5	-61.6	0	0	0	0	111.1	N344 Q395 E437 G441 L443	N344-T439 PolarHBondContact ND2-N 2.64Å; N344-T439 PolarHBondContact OD1-O 3.47Å; N344-T439 VanDerWaalsContact OD1-O 3.13Å; Q395-T439 PolarHBondContact NE2-OG1 3.2Å; E437-T439 PolarHBondContact O-N 3.3Å; E437-T439 PolarHBondContact O-OG1 2.82Å; T439-G441 VanDerWaalsContact C-N 3.29Å; T439-G441 PolarHBondContact O-N 2.8Å; T439-L443 HydrophobicContact CG2-CB 3.89Å; T439-L443 HydrophobicContact CG2-CD2 4.02Å; T439-L443 HydrophobicContact CG2-CG 4.24Å
440	F	93.6	Very high	93.6	Very high	43 Å²	43	31.3 Å²	31.3	19%	0.189	15%	0.151	C	C	.	.			trans	-79.2	78.1	173.9	-88.8	-141.7	0	0	0	110.5	W204 N205 G337 Q338 T339 C340 E438	W204-F440 HydrophobicContact CH2-CD1 4.14Å; W204-F440 HydrophobicContact CZ2-CD1 4.01Å; N205-F440 HydrophobicContact CB-CE1 4.44Å; G337-F440 WeakPolarHBondContact O-CA 3.32Å; Q338-F440 HydrophobicContact CB-CD1 4.2Å; Q338-F440 HydrophobicContact CG-CB 4.45Å; T339-F440 VanDerWaalsContact C-CE2 3.49Å; T339-F440 VanDerWaalsContact C-CZ 3.49Å; T339-F440 WeakPolarHBondContact O-CE2 3.28Å; C340-F440 HydrophobicContact CB-CZ 4.25Å; E438-F440 HydrophobicContact CG-CD2 3.7Å; E438-F440 HydrophobicContact CG-CE2 3.7Å; E438-F440 VanDerWaalsContact OE1-CE2 3.25Å; E438-F440 WeakPolarHBondContact OE1-CE2 3.48Å
441	G	96.7	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	179.2	173.5	178.4	0	0	0	0	0	113	K332 T336 G337 T439 L443	K332-G441 WeakPolarHBondContact CE-O 3.49Å; T336-G441 CarbonylContact O-C 3.53Å; T336-G441 VanDerWaalsContact O-CA 3.31Å; T336-G441 WeakPolarHBondContact O-CA 3.47Å; G337-G441 PolarHBondContact O-N 3.38Å; T439-G441 VanDerWaalsContact C-N 3.29Å; T439-G441 PolarHBondContact O-N 2.8Å; G441-L443 PolarHBondContact O-N 3.05Å
442	P	97.8	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-85	52.2	-169.3	38.2	-37.9	0	0	0	110.7	F333 T336 F420 T423	F333-P442 HydrophobicContact CD1-CB 3.91Å; F333-P442 HydrophobicContact CE1-CB 3.98Å; T336-P442 HydrophobicContact CG2-CB 3.85Å; T336-P442 HydrophobicContact CG2-CG 3.77Å; T336-P442 WeakPolarHBondContact O-CD 3.24Å; F420-P442 HydrophobicContact CB-CG 4.35Å; F420-P442 HydrophobicContact CD1-CG 4.29Å; T423-P442 PolarHBondContact N-O 3.26Å
443	L	98.5	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.9	-177.9	172.9	59.4	0	0	0	109.8	K332 V392 Q395 V396 T423 L425 C434 T439 G441 P445	K332-L443 VanDerWaalsContact CD-O 3.32Å; K332-L443 WeakPolarHBondContact CD-O 3.49Å; K332-L443 VanDerWaalsContact CE-O 3.28Å; K332-L443 WeakPolarHBondContact CE-O 3.32Å; K332-L443 PolarHBondContact NZ-O 3.05Å; V392-L443 HydrophobicContact CG1-CB 4.2Å; V392-L443 HydrophobicContact CG1-CD2 4.41Å; Q395-L443 HydrophobicContact CB-CD2 3.87Å; V396-L443 HydrophobicContact CG2-CD1 3.85Å; V396-L443 HydrophobicContact CG2-CD2 3.99Å; T423-L443 HydrophobicContact CG2-CD1 3.62Å; L425-L443 HydrophobicContact CD1-CD1 3.9Å; L425-L443 HydrophobicContact CG-CD1 3.87Å; C434-L443 HydrophobicContact CB-CD2 4.43Å; T439-L443 HydrophobicContact CG2-CB 3.89Å; T439-L443 HydrophobicContact CG2-CD2 4.02Å; T439-L443 HydrophobicContact CG2-CG 4.24Å; G441-L443 PolarHBondContact O-N 3.05Å; L443-P445 WeakPolarHBondContact O-CD 3.48Å
444	A	98.3	Very high	94.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	101.5	175	0	0	0	0	0	110.3	K332 F333 F346 F360 T423 L424 L425	K332-A444 HydrophobicContact CD-CB 4.19Å; K332-A444 HydrophobicContact CG-CB 4.16Å; F333-A444 HydrophobicContact CZ-CB 4.39Å; F346-A444 HydrophobicContact CD2-CB 3.91Å; F346-A444 HydrophobicContact CE2-CB 3.65Å; F360-A444 HydrophobicContact CE1-CB 4.01Å; F360-A444 HydrophobicContact CZ-CB 4.33Å; T423-A444 PolarHBondContact O-N 2.98Å; L424-A444 WeakPolarHBondContact CA-O 3.42Å; L424-A444 HydrophobicContact CD1-CB 3.66Å; L425-A444 PolarHBondContact N-O 3.35Å
445	P	98.1	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.9	169.4	32	-29.9	0	0	0	111	N344 F346 V428 C434 L443	N344-P445 WeakPolarHBondContact O-CD 3.42Å; N344-P445 WeakPolarHBondContact O-CG 3.49Å; F346-P445 WeakPolarHBondContact CB-O 3.47Å; F346-P445 PolarHBondContact N-O 2.64Å; V428-P445 HydrophobicContact CB-CB 4.29Å; V428-P445 HydrophobicContact CG1-CB 3.98Å; V428-P445 HydrophobicContact CG2-CB 3.79Å; C434-P445 HydrophobicContact CB-CB 4.4Å; C434-P445 HydrophobicContact CB-CG 4.21Å; L443-P445 WeakPolarHBondContact O-CD 3.48Å
446	V	98.7	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.6	178.3	-174.6	0	0	0	0	110.9	F346 V348 V357 L424 L425 C426 V428	F346-V446 HydrophobicContact CB-CB 4.39Å; F346-V446 HydrophobicContact CB-CG1 4.45Å; F346-V446 HydrophobicContact CB-CG2 3.96Å; F346-V446 WeakPolarHBondContact O-CA 3.36Å; V348-V446 HydrophobicContact CB-CG1 4.19Å; V348-V446 HydrophobicContact CG2-CG1 3.76Å; V357-V446 HydrophobicContact CG2-CB 4.4Å; V357-V446 HydrophobicContact CG2-CG1 3.9Å; V357-V446 HydrophobicContact CG2-CG2 4.31Å; L424-V446 HydrophobicContact CD1-CG2 3.72Å; L425-V446 WeakPolarHBondContact O-CB 3.35Å; L425-V446 PolarHBondContact O-N 3.4Å; C426-V446 HydrophobicContact CB-CB 4.48Å; V428-V446 WeakPolarHBondContact CB-O 3.26Å; V428-V446 PolarHBondContact N-O 3.13Å; V428-V446 VanDerWaalsContact N-O 3.15Å
447	I	98.5	Very high	96.2	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.5	173.6	-49.1	179.3	0	0	0	107.7	F346 L347 V348 V428 T435	F346-I447 PolarHBondContact O-N 2.96Å; L347-I447 HydrophobicContact CD2-CB 3.88Å; L347-I447 HydrophobicContact CD2-CD1 3.78Å; L347-I447 HydrophobicContact CD2-CG1 4.2Å; L347-I447 HydrophobicContact CD2-CG2 4.42Å; V348-I447 PolarHBondContact N-O 3.45Å; V428-I447 HydrophobicContact CB-CG1 4.14Å; V428-I447 HydrophobicContact CG1-CG1 4.06Å; T435-I447 HydrophobicContact CG2-CD1 3.65Å; T435-I447 HydrophobicContact CG2-CG1 4.42Å
448	K	98.6	Very high	96.7	Very high	77 Å²	77	32.2 Å²	32.2	34%	0.335	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.5	174.3	-176.6	169.5	-71.7	-170.3	0	109.5	V348 R350 H353 D354	V348-K448 WeakPolarHBondContact O-CA 3.37Å; R350-K448 HydrophobicContact CG-CD 4.5Å; H353-K448 WeakPolarHBondContact CD2-CE 3.36Å; H353-K448 VanDerWaalsContact CE1-CE 3.44Å; H353-K448 WeakPolarHBondContact CE1-CE 3.26Å; H353-K448 WeakPolarHBondContact ND1-CE 3.46Å; H353-K448 PolarHBondContact ND1-NZ 3.03Å; D354-K448 IonicContact OD1-NZ 3.69Å; D354-K448 PolarHBondContact OD1-NZ 2.64Å
449	F	98.7	Very high	97.2	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	162.9	172.9	74.8	-97	0	0	0	111.2	I314 F316 L347 V348 Q349 R350 T451 E454 A455	I314-F449 HydrophobicContact CG2-CE1 3.69Å; I314-F449 HydrophobicContact CG2-CZ 3.76Å; F316-F449 HydrophobicContact CD1-CE2 4Å; F316-F449 AromaticContact CD1-CZ 3.69Å; F316-F449 HydrophobicContact CD1-CZ 3.69Å; F316-F449 AromaticContact CE1-CE2 4Å; F316-F449 HydrophobicContact CE1-CE2 4Å; F316-F449 AromaticContact CE1-CZ 3.77Å; F316-F449 HydrophobicContact CE1-CZ 3.77Å; L347-F449 VanDerWaalsContact C-CE1 3.48Å; L347-F449 HydrophobicContact CB-CD1 3.81Å; L347-F449 HydrophobicContact CB-CE1 3.96Å; V348-F449 VanDerWaalsContact C-CD1 3.5Å; V348-F449 VanDerWaalsContact C-CE1 3.49Å; V348-F449 PolarHBondContact O-N 3.47Å; Q349-F449 CarbonylContact C-O 3.56Å; Q349-F449 WeakPolarHBondContact CA-O 3.1Å; Q349-F449 HydrophobicContact CB-CD2 4.23Å; Q349-F449 HydrophobicContact CB-CE1 4.03Å; Q349-F449 HydrophobicContact CB-CE2 3.61Å; Q349-F449 HydrophobicContact CB-CZ 3.5Å; Q349-F449 HydrophobicContact CG-CD2 4.02Å; Q349-F449 HydrophobicContact CG-CE2 3.54Å; Q349-F449 HydrophobicContact CG-CZ 4Å; Q349-F449 VanDerWaalsContact N-CE1 3.32Å; R350-F449 PolarHBondContact N-O 3.35Å; F449-T451 WeakPolarHBondContact CD2-O 3.39Å; F449-T451 WeakPolarHBondContact CE2-O 3.39Å; F449-E454 HydrophobicContact CB-CG 4.22Å; F449-A455 HydrophobicContact CD1-CB 4.01Å; F449-A455 HydrophobicContact CD2-CB 3.76Å; F449-A455 HydrophobicContact CE1-CB 3.89Å; F449-A455 HydrophobicContact CE2-CB 3.66Å; F449-A455 HydrophobicContact CG-CB 3.93Å; F449-A455 HydrophobicContact CZ-CB 3.71Å
450	D	98.7	Very high	97.9	Very high	69 Å²	69	31.7 Å²	31.7	37%	0.369	17%	0.167	S	C	.	.	S	Bend	trans	-106.5	-43.3	-179.9	-67.1	-15.6	0	0	0	112.6	Q349 R350 E454	Q349-D450 PolarHBondContact NE2-O 3.17Å; R350-D450 IonicContact CZ-OD1 3.54Å; R350-D450 IonicContact CZ-OD2 3.94Å; R350-D450 IonicContact NE-OD1 2.71Å; R350-D450 PolarHBondContact NE-OD1 3Å; R350-D450 IonicContact NE-OD2 3.85Å; R350-D450 IonicContact NH2-OD1 3.75Å; R350-D450 PolarHBondContact NH2-OD1 3.2Å; R350-D450 IonicContact NH2-OD2 3.87Å; R350-D450 PolarHBondContact NH2-OD2 3.13Å; D450-E454 WeakPolarHBondContact CA-OE2 3.13Å; D450-E454 PolarHBondContact N-OE2 2.82Å
451	T	98.9	Very high	97.8	Very high	69 Å²	69	32.8 Å²	32.8	42%	0.423	18%	0.184	S	C	.	.			trans	-118.1	158.9	-173.2	78.4	0	0	0	0	114.9	F449 E453 E454 A455	F449-T451 WeakPolarHBondContact CD2-O 3.39Å; F449-T451 WeakPolarHBondContact CE2-O 3.39Å; T451-E453 VanDerWaalsContact C-N 3.33Å; T451-E454 PolarHBondContact N-OE2 2.7Å; T451-E454 PolarHBondContact O-N 3.38Å; T451-E454 VanDerWaalsContact OG1-CB 3.29Å; T451-E454 WeakPolarHBondContact OG1-CB 3.35Å; T451-E454 PolarHBondContact OG1-N 2.94Å; T451-E454 VanDerWaalsContact OG1-N 3.08Å; T451-A455 PolarHBondContact O-N 3.44Å; T451-A455 VanDerWaalsContact O-N 3.08Å
452	E	98.8	Very high	97.5	Very high	36 Å²	36	33.7 Å²	33.7	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-39.6	174.5	-176.4	179.9	130.3	0	0	112.3	F316 A455 I456 Q477 R480 V481	F316-E452 HydrophobicContact CE1-CB 4.2Å; F316-E452 HydrophobicContact CE1-CG 4.04Å; F316-E452 HydrophobicContact CZ-CG 4.29Å; E452-A455 PolarHBondContact O-N 2.82Å; E452-I456 HydrophobicContact CG-CD1 4.03Å; E452-I456 VanDerWaalsContact O-CG1 3.3Å; E452-I456 WeakPolarHBondContact O-CG1 3.34Å; E452-I456 PolarHBondContact O-N 3Å; E452-Q477 WeakPolarHBondContact OE2-CG 3.42Å; E452-Q477 PolarHBondContact OE2-NE2 3.24Å; E452-R480 IonicContact OE1-CZ 2.76Å; E452-R480 IonicContact OE1-NE 3.33Å; E452-R480 PolarHBondContact OE1-NE 2.81Å; E452-R480 IonicContact OE1-NH2 2.79Å; E452-R480 PolarHBondContact OE1-NH2 3.33Å; E452-R480 IonicContact OE2-CZ 3.2Å; E452-R480 IonicContact OE2-NE 2.82Å; E452-R480 IonicContact OE2-NH2 2.9Å; E452-R480 PolarHBondContact OE2-NH2 3.27Å; E452-V481 HydrophobicContact CG-CG2 4.03Å
453	E	98.8	Very high	97.1	Very high	162 Å²	162	39 Å²	39	76%	0.757	22%	0.22	S	C	*	.	H	α-helix	trans	-62.5	-43.9	176.2	-176.1	177.6	-173.8	0	0	111.6	T451 I456 A457	T451-E453 VanDerWaalsContact C-N 3.33Å; E453-I456 PolarHBondContact O-N 3.43Å; E453-A457 VanDerWaalsContact O-CB 3.3Å; E453-A457 WeakPolarHBondContact O-CB 3.47Å; E453-A457 PolarHBondContact O-N 3Å
454	E	98.6	Very high	96.7	Very high	67 Å²	67	40.6 Å²	40.6	31%	0.313	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-45.8	175.6	-179.7	-171.5	-177.2	0	0	111.8	F449 D450 T451 I456 A457 I458	F449-E454 HydrophobicContact CB-CG 4.22Å; D450-E454 WeakPolarHBondContact CA-OE2 3.13Å; D450-E454 PolarHBondContact N-OE2 2.82Å; T451-E454 PolarHBondContact N-OE2 2.7Å; T451-E454 PolarHBondContact O-N 3.38Å; T451-E454 VanDerWaalsContact OG1-CB 3.29Å; T451-E454 WeakPolarHBondContact OG1-CB 3.35Å; T451-E454 PolarHBondContact OG1-N 2.94Å; T451-E454 VanDerWaalsContact OG1-N 3.08Å; E454-I456 PolarHBondContact O-N 3Å; E454-A457 PolarHBondContact O-N 2.84Å; E454-I458 HydrophobicContact CG-CD1 3.89Å; E454-I458 VanDerWaalsContact O-CG1 3.32Å; E454-I458 WeakPolarHBondContact O-CG1 3.23Å; E454-I458 PolarHBondContact O-N 2.89Å
455	A	98.4	Very high	96.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-41.7	178.1	0	0	0	0	0	112.5	I314 F316 L347 F449 T451 E452 A459	I314-A455 HydrophobicContact CD1-CB 4.4Å; I314-A455 HydrophobicContact CG2-CB 3.93Å; F316-A455 HydrophobicContact CE1-CB 4.34Å; L347-A455 VanDerWaalsContact CD1-O 3.32Å; L347-A455 WeakPolarHBondContact CD1-O 3.26Å; F449-A455 HydrophobicContact CD1-CB 4.01Å; F449-A455 HydrophobicContact CD2-CB 3.76Å; F449-A455 HydrophobicContact CE1-CB 3.89Å; F449-A455 HydrophobicContact CE2-CB 3.66Å; F449-A455 HydrophobicContact CG-CB 3.93Å; F449-A455 HydrophobicContact CZ-CB 3.71Å; T451-A455 PolarHBondContact O-N 3.44Å; T451-A455 VanDerWaalsContact O-N 3.08Å; E452-A455 PolarHBondContact O-N 2.82Å; A455-A459 WeakPolarHBondContact O-CB 3.17Å; A455-A459 PolarHBondContact O-N 3.35Å
456	I	98.4	Very high	96.4	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-43.3	175	-67.9	167.4	0	0	0	110.3	E452 E453 E454 A459 N460 V481 Q484	E452-I456 HydrophobicContact CG-CD1 4.03Å; E452-I456 VanDerWaalsContact O-CG1 3.3Å; E452-I456 WeakPolarHBondContact O-CG1 3.34Å; E452-I456 PolarHBondContact O-N 3Å; E453-I456 PolarHBondContact O-N 3.43Å; E454-I456 PolarHBondContact O-N 3Å; I456-A459 PolarHBondContact O-N 2.88Å; I456-N460 WeakPolarHBondContact CG2-ND2 3.44Å; I456-N460 VanDerWaalsContact O-CB 3.3Å; I456-N460 WeakPolarHBondContact O-CB 3.47Å; I456-N460 PolarHBondContact O-N 2.92Å; I456-V481 HydrophobicContact CD1-CG2 4.27Å; I456-Q484 HydrophobicContact CD1-CB 4.17Å; I456-Q484 HydrophobicContact CG2-CB 4.12Å
457	A	98.1	Very high	96.4	Very high	59 Å²	59	40.8 Å²	40.8	49%	0.488	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-45.8	178.9	0	0	0	0	0	112.4	E453 E454 N460 A461	E453-A457 VanDerWaalsContact O-CB 3.3Å; E453-A457 WeakPolarHBondContact O-CB 3.47Å; E453-A457 PolarHBondContact O-N 3Å; E454-A457 PolarHBondContact O-N 2.84Å; A457-N460 PolarHBondContact O-N 2.8Å; A457-A461 WeakPolarHBondContact O-CB 3.47Å; A457-A461 PolarHBondContact O-N 2.9Å
458	I	96.1	Very high	96.4	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.108	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-44.8	176	-65.6	166.6	0	0	0	110.6	L347 E454 A461	L347-I458 HydrophobicContact CD1-CB 4.05Å; L347-I458 HydrophobicContact CD1-CG2 3.94Å; L347-I458 HydrophobicContact CD2-CG2 3.75Å; E454-I458 HydrophobicContact CG-CD1 3.89Å; E454-I458 VanDerWaalsContact O-CG1 3.32Å; E454-I458 WeakPolarHBondContact O-CG1 3.23Å; E454-I458 PolarHBondContact O-N 2.89Å; I458-A461 PolarHBondContact O-N 3.48Å
459	A	96.2	Very high	96.4	Very high	10 Å²	10	36.6 Å²	36.6	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-41.7	178.9	0	0	0	0	0	113.2	P312 I314 L347 A455 I456 L485	P312-A459 HydrophobicContact CB-CB 3.85Å; P312-A459 HydrophobicContact CG-CB 3.91Å; I314-A459 HydrophobicContact CD1-CB 4.12Å; L347-A459 HydrophobicContact CD1-CB 4.13Å; A455-A459 WeakPolarHBondContact O-CB 3.17Å; A455-A459 PolarHBondContact O-N 3.35Å; I456-A459 PolarHBondContact O-N 2.88Å; A459-L485 HydrophobicContact CB-CD2 3.63Å
460	N	96.8	Very high	96.4	Very high	28 Å²	28	36.6 Å²	36.6	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-82.2	-15.2	-178	-72.2	-11.7	0	0	0	113.7	I456 A457 A462 Q484 E486 K508	I456-N460 WeakPolarHBondContact CG2-ND2 3.44Å; I456-N460 VanDerWaalsContact O-CB 3.3Å; I456-N460 WeakPolarHBondContact O-CB 3.47Å; I456-N460 PolarHBondContact O-N 2.92Å; A457-N460 PolarHBondContact O-N 2.8Å; N460-A462 PolarHBondContact O-N 2.89Å; N460-Q484 PolarHBondContact ND2-O 3.12Å; N460-E486 HydrophobicContact CB-CG 4.42Å; N460-E486 PolarHBondContact OD1-N 2.75Å; N460-K508 PolarHBondContact O-NZ 2.92Å
461	A	93.3	Very high	96.4	Very high	66 Å²	66	33.5 Å²	33.5	55%	0.545	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.1	178.5	0	0	0	0	0	114.1	A457 I458	A457-A461 WeakPolarHBondContact O-CB 3.47Å; A457-A461 PolarHBondContact O-N 2.9Å; I458-A461 PolarHBondContact O-N 3.48Å
462	A	88.7	Confident	96.4	Very high	19 Å²	19	30.2 Å²	30.2	16%	0.157	18%	0.175	C	C	.	.	S	Bend	trans	-74.9	138	176.5	0	0	0	0	0	112.8	L310 N460 V464 K508	L310-A462 HydrophobicContact CD2-CB 4.05Å; N460-A462 PolarHBondContact O-N 2.89Å; A462-V464 HydrophobicContact CB-CG2 3.95Å; A462-V464 PolarHBondContact O-N 3Å; A462-V464 VanDerWaalsContact O-N 3.13Å; A462-K508 WeakPolarHBondContact O-CD 3.21Å; A462-K508 PolarHBondContact O-NZ 2.9Å
463	D	89.3	Confident	96.4	Very high	111 Å²	111	34.2 Å²	34.2	59%	0.594	19%	0.194	S	C	*	.	S	Bend	trans	-64.7	-8.1	169.7	-116.4	-18.5	0	0	0	113.4	K508 Q509	D463-K508 VanDerWaalsContact O-CB 3.23Å; D463-K508 WeakPolarHBondContact O-CB 3.5Å; D463-Q509 VanDerWaalsContact O-CB 3.26Å; D463-Q509 WeakPolarHBondContact O-CB 3.15Å; D463-Q509 WeakPolarHBondContact O-CG 3.16Å; D463-Q509 PolarHBondContact O-N 3.3Å; D463-Q509 PolarHBondContact OD1-NE2 3.4Å; D463-Q509 PolarHBondContact OD2-NE2 2.92Å
464	V	90.1	Very high	96.4	Very high	33 Å²	33	29.4 Å²	29.4	20%	0.2	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.2	-174.6	-76.1	0	0	0	0	109.8	G308 L310 A462 Q509 S510	G308-V464 WeakPolarHBondContact O-CG1 3.48Å; L310-V464 HydrophobicContact CB-CG2 3.57Å; A462-V464 HydrophobicContact CB-CG2 3.95Å; A462-V464 PolarHBondContact O-N 3Å; A462-V464 VanDerWaalsContact O-N 3.13Å; V464-Q509 HydrophobicContact CG1-CB 4.45Å; V464-S510 WeakPolarHBondContact CA-OG 3.42Å; V464-S510 WeakPolarHBondContact CB-OG 3.38Å
465	G	94.8	Very high	96.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	65.4	-174.7	0	0	0	0	0	111.4	E486 G488 G506 V507 S510	G465-E486 WeakPolarHBondContact CA-O 3.47Å; G465-G488 PolarHBondContact O-N 3.39Å; G465-G506 CarbonylContact O-C 3.5Å; G465-G506 WeakPolarHBondContact O-CA 3.04Å; G465-V507 WeakPolarHBondContact O-CG2 3.45Å; G465-V507 PolarHBondContact O-N 3.04Å; G465-S510 PolarHBondContact N-OG 3.3Å
466	L	96.5	Very high	96.4	Very high	2 Å²	2	33 Å²	33	1%	0.01	21%	0.207	C	C	.	.	S	Bend	trans	-85.1	-69.6	-178.3	-175	56.6	0	0	0	112.2	E306 C340 V341 G488 M489 S510	E306-L466 HydrophobicContact CG-CD1 4Å; E306-L466 HydrophobicContact CG-CD2 4.14Å; C340-L466 HydrophobicContact CB-CD2 3.58Å; V341-L466 HydrophobicContact CG1-CD2 4.05Å; V341-L466 HydrophobicContact CG1-CG 4.14Å; L466-G488 WeakPolarHBondContact O-CA 3.4Å; L466-G488 PolarHBondContact O-N 2.98Å; L466-G488 VanDerWaalsContact O-N 3.09Å; L466-M489 HydrophobicContact CD1-CE 3.52Å; L466-M489 HydrophobicContact CG-CE 3.79Å; L466-M489 VanDerWaalsContact O-CE 3.26Å; L466-M489 WeakPolarHBondContact O-CE 3.48Å; L466-M489 PolarHBondContact O-N 3.05Å; L466-S510 PolarHBondContact N-OG 3.15Å
467	A	97.8	Very high	96.4	Very high	1 Å²	1	33 Å²	33	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.4	175.8	0	0	0	0	0	109.9	A311 V341 Y469 M489 I497	A311-A467 VanDerWaalsContact CA-O 3.25Å; A311-A467 WeakPolarHBondContact CA-O 3.3Å; A311-A467 HydrophobicContact CB-CB 4.48Å; A311-A467 WeakPolarHBondContact CB-O 3.45Å; V341-A467 HydrophobicContact CB-CB 3.97Å; V341-A467 HydrophobicContact CG1-CB 3.68Å; A467-Y469 HydrophobicContact CB-CE2 4.2Å; A467-M489 CarbonylContact C-O 3.59Å; A467-M489 VanDerWaalsContact CA-O 3.3Å; A467-M489 WeakPolarHBondContact CA-O 3.42Å; A467-M489 HydrophobicContact CB-CB 4.42Å; A467-M489 HydrophobicContact CB-CE 4.19Å; A467-I497 HydrophobicContact CB-CD1 4.45Å
468	G	98.1	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.5	167.4	0	0	0	0	0	110.6	M489 V490 G491	G468-M489 PolarHBondContact N-O 3.4Å; G468-V490 CarbonylContact O-C 3.55Å; G468-V490 WeakPolarHBondContact O-CA 3.43Å; G468-G491 PolarHBondContact O-N 3.3Å
469	Y	98.8	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.6	-177.7	-60.2	-86	0	0	0	109.4	A311 P312 F313 I314 V341 A467 G491 E494 G495 I497	A311-Y469 HydrophobicContact CB-CD2 4.4Å; A311-Y469 HydrophobicContact CB-CE2 4.19Å; P312-Y469 PolarHBondContact O-N 2.82Å; F313-Y469 CarbonylContact C-O 3.59Å; F313-Y469 WeakPolarHBondContact CA-O 3.36Å; F313-Y469 VanDerWaalsContact CD2-CB 3.48Å; F313-Y469 HydrophobicContact CD2-CD2 4.33Å; F313-Y469 AromaticContact CD2-CG 3.97Å; F313-Y469 HydrophobicContact CD2-CG 3.97Å; F313-Y469 HydrophobicContact CE2-CG 4.49Å; I314-Y469 PolarHBondContact N-O 3Å; V341-Y469 WeakPolarHBondContact O-CE2 3.48Å; V341-Y469 PolarHBondContact O-OH 2.99Å; A467-Y469 HydrophobicContact CB-CE2 4.2Å; Y469-G491 CarbonylContact C-O 3.59Å; Y469-G491 WeakPolarHBondContact CA-O 3.38Å; Y469-E494 WeakPolarHBondContact CD1-O 3.45Å; Y469-G495 VanDerWaalsContact CE1-O 3.29Å; Y469-G495 WeakPolarHBondContact CE1-O 3.42Å; Y469-I497 HydrophobicContact CE1-CD1 4.03Å; Y469-I497 HydrophobicContact CE1-CG1 4.11Å; Y469-I497 HydrophobicContact CE1-CG2 4.28Å
470	F	98.9	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.9	165.1	72.7	-89.5	0	0	0	113.9	I314 F316 I478 V481 A482 L485 V490 G491 V492 N493	I314-F470 HydrophobicContact CB-CB 3.8Å; I314-F470 HydrophobicContact CG1-CB 4.49Å; I314-F470 CarbonylContact O-C 3.57Å; I314-F470 WeakPolarHBondContact O-CA 3.28Å; I314-F470 WeakPolarHBondContact O-CB 3.49Å; F316-F470 HydrophobicContact CD2-CD2 4.32Å; F316-F470 HydrophobicContact CE2-CB 4.14Å; F316-F470 HydrophobicContact CE2-CD2 4.01Å; F316-F470 HydrophobicContact CE2-CG 4.31Å; F470-I478 HydrophobicContact CE2-CB 4.32Å; F470-I478 HydrophobicContact CE2-CG1 3.92Å; F470-I478 HydrophobicContact CZ-CB 4.4Å; F470-I478 HydrophobicContact CZ-CG1 4.43Å; F470-I478 HydrophobicContact CZ-CG2 4.37Å; F470-I478 WeakPolarHBondContact CZ-O 3.5Å; F470-V481 HydrophobicContact CB-CG1 4.4Å; F470-V481 HydrophobicContact CD1-CB 4.25Å; F470-V481 HydrophobicContact CD1-CG1 3.55Å; F470-V481 HydrophobicContact CD2-CB 4.48Å; F470-V481 HydrophobicContact CD2-CG1 4.25Å; F470-V481 HydrophobicContact CE1-CB 3.99Å; F470-V481 HydrophobicContact CE1-CG1 3.76Å; F470-V481 HydrophobicContact CE2-CB 4.25Å; F470-V481 HydrophobicContact CE2-CG1 4.44Å; F470-V481 HydrophobicContact CG-CB 4.48Å; F470-V481 HydrophobicContact CG-CG1 3.81Å; F470-V481 HydrophobicContact CZ-CB 4.01Å; F470-V481 HydrophobicContact CZ-CG1 4.22Å; F470-A482 HydrophobicContact CE1-CB 4.05Å; F470-A482 HydrophobicContact CZ-CB 4.24Å; F470-L485 HydrophobicContact CD1-CD1 4.06Å; F470-V490 HydrophobicContact CD1-CG1 4.08Å; F470-V490 HydrophobicContact CE1-CG1 3.79Å; F470-G491 PolarHBondContact N-O 3.45Å; F470-V492 HydrophobicContact CE1-CG2 3.76Å; F470-V492 HydrophobicContact CE2-CG1 4.02Å; F470-V492 HydrophobicContact CZ-CB 4.31Å; F470-V492 HydrophobicContact CZ-CG1 3.9Å; F470-V492 HydrophobicContact CZ-CG2 3.7Å; F470-N493 PolarHBondContact O-N 3.27Å
471	Y	98.9	Very high	96.8	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.8	176	-79.3	-103.6	0	0	0	110.1	F313 I314 F316 Q323 A324 G327 N493 E494 G495	F313-Y471 AromaticContact CE1-CD2 3.84Å; F313-Y471 HydrophobicContact CE1-CD2 3.84Å; F313-Y471 HydrophobicContact CE1-CE2 4.08Å; F313-Y471 HydrophobicContact CE2-CD2 4.32Å; F313-Y471 AromaticContact CE2-CE2 3.84Å; F313-Y471 HydrophobicContact CE2-CE2 3.84Å; F313-Y471 AromaticContact CZ-CD2 3.55Å; F313-Y471 HydrophobicContact CZ-CD2 3.55Å; F313-Y471 AromaticContact CZ-CE2 3.29Å; F313-Y471 HydrophobicContact CZ-CE2 3.29Å; I314-Y471 PolarHBondContact O-N 3.06Å; F316-Y471 WeakPolarHBondContact CD2-O 3.41Å; F316-Y471 PolarHBondContact N-O 2.69Å; Q323-Y471 HydrophobicContact CB-CD1 4.26Å; Q323-Y471 HydrophobicContact CB-CE1 3.91Å; Q323-Y471 VanDerWaalsContact O-CE1 3.25Å; Q323-Y471 WeakPolarHBondContact O-CE1 3.25Å; A324-Y471 VanDerWaalsContact CA-CD1 3.5Å; A324-Y471 HydrophobicContact CB-CD1 3.87Å; A324-Y471 HydrophobicContact CB-CD2 4.26Å; A324-Y471 HydrophobicContact CB-CG 3.74Å; G327-Y471 VanDerWaalsContact CA-OH 3.29Å; G327-Y471 WeakPolarHBondContact CA-OH 3.12Å; Y471-N493 VanDerWaalsContact CA-OD1 3.31Å; Y471-N493 WeakPolarHBondContact CA-OD1 3.49Å; Y471-N493 HydrophobicContact CD1-CB 4.02Å; Y471-N493 WeakPolarHBondContact CD1-OD1 3.44Å; Y471-N493 HydrophobicContact CE1-CB 4.02Å; Y471-N493 WeakPolarHBondContact CE1-O 3.39Å; Y471-N493 VanDerWaalsContact CZ-O 3.29Å; Y471-N493 PolarHBondContact OH-O 3.38Å; Y471-E494 VanDerWaalsContact OH-CA 3.26Å; Y471-E494 WeakPolarHBondContact OH-CA 3.49Å; Y471-E494 PolarHBondContact OH-N 3.41Å; Y471-G495 PolarHBondContact OH-N 2.98Å
472	S	98.8	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.			trans	-162.6	155.6	-177.2	177	0	0	0	0	109.6	S318 D474 Q477 N493	S318-S472 WeakPolarHBondContact OG-CA 3.35Å; S318-S472 PolarHBondContact OG-OG 3.31Å; S472-D474 PolarHBondContact OG-N 2.72Å; S472-Q477 PolarHBondContact OG-OE1 2.85Å; S472-N493 PolarHBondContact N-OD1 3.05Å; S472-N493 PolarHBondContact O-ND2 3.09Å; S472-N493 PolarHBondContact O-OD1 3.46Å; S472-N493 VanDerWaalsContact O-OD1 3.11Å
473	Q	98.8	Very high	97.5	Very high	120 Å²	120	46.2 Å²	46.2	56%	0.561	24%	0.236	S	C	*	.	S	Bend	trans	-117.4	2.8	170.1	-62.2	-68.4	-88.6	0	0	113.4	S318 P475	S318-Q473 WeakPolarHBondContact O-CB 3.42Å; S318-Q473 WeakPolarHBondContact O-CG 3.23Å; S318-Q473 PolarHBondContact OG-N 3.3Å; S318-Q473 VanDerWaalsContact OG-N 3.08Å; Q473-P475 WeakPolarHBondContact O-CD 3.49Å
474	D	98.8	Very high	98	Very high	61 Å²	61	45.5 Å²	45.5	33%	0.326	23%	0.229	S	C	.	.			trans	-84.5	115.6	171.7	169.7	-7.3	0	0	0	109.3	S472 A476 Q477 I478 R480	S472-D474 PolarHBondContact OG-N 2.72Å; D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 2.84Å; D474-A476 WeakPolarHBondContact OD1-CA 3.44Å; D474-A476 WeakPolarHBondContact OD1-CB 3.34Å; D474-A476 PolarHBondContact OD1-N 2.91Å; D474-Q477 HydrophobicContact CB-CB 3.69Å; D474-Q477 PolarHBondContact O-N 2.95Å; D474-Q477 PolarHBondContact OD1-N 3.28Å; D474-I478 VanDerWaalsContact O-CG1 3.31Å; D474-I478 WeakPolarHBondContact O-CG1 3.47Å; D474-I478 PolarHBondContact O-N 3.49Å; D474-R480 IonicContact OD2-NH2 2.68Å
475	P	98.8	Very high	98.4	Very high	92 Å²	92	44.3 Å²	44.3	60%	0.597	22%	0.221	S	C	*	.	H	α-helix	trans	-62	-31.9	-179.4	-23.2	35	0	0	0	114.1	Q473 W479	Q473-P475 WeakPolarHBondContact O-CD 3.49Å; P475-W479 VanDerWaalsContact O-CD1 3.29Å; P475-W479 PolarHBondContact O-N 3.23Å
476	A	98.8	Very high	98.6	Very high	51 Å²	51	49.1 Å²	49.1	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-76.9	-38.3	178.6	0	0	0	0	0	111.1	D474 I478 W479 R480	D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 2.84Å; D474-A476 WeakPolarHBondContact OD1-CA 3.44Å; D474-A476 WeakPolarHBondContact OD1-CB 3.34Å; D474-A476 PolarHBondContact OD1-N 2.91Å; A476-I478 VanDerWaalsContact C-N 3.32Å; A476-W479 PolarHBondContact O-N 3.29Å; A476-R480 VanDerWaalsContact C-NH1 3.31Å; A476-R480 WeakPolarHBondContact O-CB 3.24Å; A476-R480 WeakPolarHBondContact O-CG 3.25Å; A476-R480 PolarHBondContact O-N 3.13Å; A476-R480 PolarHBondContact O-NH1 3.34Å
477	Q	98.8	Very high	98.6	Very high	15 Å²	15	50.1 Å²	50.1	7%	0.07	25%	0.25	C	C	.	.	H	α-helix	trans	-61.3	-40.9	169.8	-179.5	168.1	79.1	0	0	111.5	F316 S318 E452 S472 D474 W479 R480 V481	F316-Q477 HydrophobicContact CD2-CG 4.39Å; F316-Q477 HydrophobicContact CE2-CG 4.37Å; F316-Q477 VanDerWaalsContact CG-OE1 3.31Å; S318-Q477 PolarHBondContact OG-OE1 2.9Å; E452-Q477 WeakPolarHBondContact OE2-CG 3.42Å; E452-Q477 PolarHBondContact OE2-NE2 3.24Å; S472-Q477 PolarHBondContact OG-OE1 2.85Å; D474-Q477 HydrophobicContact CB-CB 3.69Å; D474-Q477 PolarHBondContact O-N 2.95Å; D474-Q477 PolarHBondContact OD1-N 3.28Å; Q477-W479 PolarHBondContact O-N 2.97Å; Q477-R480 PolarHBondContact O-N 3.39Å; Q477-V481 HydrophobicContact CG-CG2 3.9Å; Q477-V481 WeakPolarHBondContact O-CB 3.41Å; Q477-V481 VanDerWaalsContact O-CG2 3.29Å; Q477-V481 WeakPolarHBondContact O-CG2 3.32Å; Q477-V481 PolarHBondContact O-N 3.17Å
478	I	98.9	Very high	98.7	Very high	37 Å²	37	51 Å²	51	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-55.6	-49.5	176.9	-76.3	163.1	0	0	0	111.5	F470 D474 A476 A482 V492	F470-I478 HydrophobicContact CE2-CB 4.32Å; F470-I478 HydrophobicContact CE2-CG1 3.92Å; F470-I478 HydrophobicContact CZ-CB 4.4Å; F470-I478 HydrophobicContact CZ-CG1 4.43Å; F470-I478 HydrophobicContact CZ-CG2 4.37Å; F470-I478 WeakPolarHBondContact CZ-O 3.5Å; D474-I478 VanDerWaalsContact O-CG1 3.31Å; D474-I478 WeakPolarHBondContact O-CG1 3.47Å; D474-I478 PolarHBondContact O-N 3.49Å; A476-I478 VanDerWaalsContact C-N 3.32Å; I478-A482 WeakPolarHBondContact O-CB 3.18Å; I478-A482 PolarHBondContact O-N 3.17Å; I478-A482 VanDerWaalsContact O-N 3.08Å; I478-V492 HydrophobicContact CD1-CG1 4.4Å; I478-V492 HydrophobicContact CG1-CG1 4.05Å; I478-V492 HydrophobicContact CG2-CG1 3.76Å
479	W	98.8	Very high	98.7	Very high	176 Å²	176	52 Å²	52	67%	0.667	26%	0.264	S	S	*	.	H	α-helix	trans	-67.2	-48.6	176.8	-76.5	98.3	0	0	0	112.2	P475 A476 Q477 V481 A482 E483	P475-W479 VanDerWaalsContact O-CD1 3.29Å; P475-W479 PolarHBondContact O-N 3.23Å; A476-W479 PolarHBondContact O-N 3.29Å; Q477-W479 PolarHBondContact O-N 2.97Å; W479-V481 VanDerWaalsContact C-N 3.33Å; W479-V481 PolarHBondContact O-N 2.99Å; W479-A482 PolarHBondContact O-N 3.07Å; W479-E483 WeakPolarHBondContact O-CB 3.49Å; W479-E483 WeakPolarHBondContact O-CG 3.46Å; W479-E483 PolarHBondContact O-N 2.88Å
480	R	98.8	Very high	98.7	Very high	91 Å²	91	54.3 Å²	54.3	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-54.3	-45.7	179.3	-75	-168.9	-47.4	-90.6	2.2	112.9	E452 D474 A476 Q477 Q484	E452-R480 IonicContact OE1-CZ 2.76Å; E452-R480 IonicContact OE1-NE 3.33Å; E452-R480 PolarHBondContact OE1-NE 2.81Å; E452-R480 IonicContact OE1-NH2 2.79Å; E452-R480 PolarHBondContact OE1-NH2 3.33Å; E452-R480 IonicContact OE2-CZ 3.2Å; E452-R480 IonicContact OE2-NE 2.82Å; E452-R480 IonicContact OE2-NH2 2.9Å; E452-R480 PolarHBondContact OE2-NH2 3.27Å; D474-R480 IonicContact OD2-NH2 2.68Å; A476-R480 VanDerWaalsContact C-NH1 3.31Å; A476-R480 WeakPolarHBondContact O-CB 3.24Å; A476-R480 WeakPolarHBondContact O-CG 3.25Å; A476-R480 PolarHBondContact O-N 3.13Å; A476-R480 PolarHBondContact O-NH1 3.34Å; Q477-R480 PolarHBondContact O-N 3.39Å; R480-Q484 VanDerWaalsContact O-CB 3.27Å; R480-Q484 WeakPolarHBondContact O-CB 3.32Å; R480-Q484 VanDerWaalsContact O-CG 3.24Å; R480-Q484 WeakPolarHBondContact O-CG 3.39Å; R480-Q484 PolarHBondContact O-N 3.02Å; R480-Q484 VanDerWaalsContact O-N 3.15Å; R480-Q484 PolarHBondContact O-NE2 3Å
481	V	98.8	Very high	98.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-76.8	-37.9	-176.8	179.4	0	0	0	0	111	F316 E452 I456 F470 Q477 W479 E483 Q484 L485	F316-V481 HydrophobicContact CE2-CB 4.49Å; F316-V481 HydrophobicContact CE2-CG1 4.17Å; F316-V481 HydrophobicContact CE2-CG2 3.85Å; F316-V481 HydrophobicContact CZ-CG1 4.25Å; F316-V481 HydrophobicContact CZ-CG2 3.64Å; E452-V481 HydrophobicContact CG-CG2 4.03Å; I456-V481 HydrophobicContact CD1-CG2 4.27Å; F470-V481 HydrophobicContact CB-CG1 4.4Å; F470-V481 HydrophobicContact CD1-CB 4.25Å; F470-V481 HydrophobicContact CD1-CG1 3.55Å; F470-V481 HydrophobicContact CD2-CB 4.48Å; F470-V481 HydrophobicContact CD2-CG1 4.25Å; F470-V481 HydrophobicContact CE1-CB 3.99Å; F470-V481 HydrophobicContact CE1-CG1 3.76Å; F470-V481 HydrophobicContact CE2-CB 4.25Å; F470-V481 HydrophobicContact CE2-CG1 4.44Å; F470-V481 HydrophobicContact CG-CB 4.48Å; F470-V481 HydrophobicContact CG-CG1 3.81Å; F470-V481 HydrophobicContact CZ-CB 4.01Å; F470-V481 HydrophobicContact CZ-CG1 4.22Å; Q477-V481 HydrophobicContact CG-CG2 3.9Å; Q477-V481 WeakPolarHBondContact O-CB 3.41Å; Q477-V481 VanDerWaalsContact O-CG2 3.29Å; Q477-V481 WeakPolarHBondContact O-CG2 3.32Å; Q477-V481 PolarHBondContact O-N 3.17Å; W479-V481 VanDerWaalsContact C-N 3.33Å; W479-V481 PolarHBondContact O-N 2.99Å; V481-E483 VanDerWaalsContact C-N 3.31Å; V481-E483 PolarHBondContact O-N 3.15Å; V481-Q484 PolarHBondContact O-N 3.38Å; V481-L485 HydrophobicContact CG1-CD1 3.8Å; V481-L485 HydrophobicContact CG1-CG 4.07Å; V481-L485 VanDerWaalsContact O-CG 3.32Å; V481-L485 WeakPolarHBondContact O-CG 3.43Å; V481-L485 PolarHBondContact O-N 2.91Å; V481-L485 VanDerWaalsContact O-N 3.11Å
482	A	98.7	Very high	98.7	Very high	32 Å²	32	56.7 Å²	56.7	26%	0.264	29%	0.293	S	S	.	.	H	α-helix	trans	-65.9	-31.6	177.1	0	0	0	0	0	113.3	F470 I478 W479 V490	F470-A482 HydrophobicContact CE1-CB 4.05Å; F470-A482 HydrophobicContact CZ-CB 4.24Å; I478-A482 WeakPolarHBondContact O-CB 3.18Å; I478-A482 PolarHBondContact O-N 3.17Å; I478-A482 VanDerWaalsContact O-N 3.08Å; W479-A482 PolarHBondContact O-N 3.07Å; A482-V490 HydrophobicContact CB-CG1 4.36Å
483	E	98.7	Very high	98.7	Very high	143 Å²	143	58.7 Å²	58.7	67%	0.668	30%	0.304	S	S	*	.	H	α-helix	trans	-84.3	-28.9	177.8	-68.1	178.6	158	0	0	113.4	W479 V481	W479-E483 WeakPolarHBondContact O-CB 3.49Å; W479-E483 WeakPolarHBondContact O-CG 3.46Å; W479-E483 PolarHBondContact O-N 2.88Å; V481-E483 VanDerWaalsContact C-N 3.31Å; V481-E483 PolarHBondContact O-N 3.15Å
484	Q	98.7	Very high	98.7	Very high	96 Å²	96	57.5 Å²	57.5	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-93.2	-15.4	-177.2	-70.9	175.1	100.6	0	0	114.9	I456 N460 R480 V481 E486	I456-Q484 HydrophobicContact CD1-CB 4.17Å; I456-Q484 HydrophobicContact CG2-CB 4.12Å; N460-Q484 PolarHBondContact ND2-O 3.12Å; R480-Q484 VanDerWaalsContact O-CB 3.27Å; R480-Q484 WeakPolarHBondContact O-CB 3.32Å; R480-Q484 VanDerWaalsContact O-CG 3.24Å; R480-Q484 WeakPolarHBondContact O-CG 3.39Å; R480-Q484 PolarHBondContact O-N 3.02Å; R480-Q484 VanDerWaalsContact O-N 3.15Å; R480-Q484 PolarHBondContact O-NE2 3Å; V481-Q484 PolarHBondContact O-N 3.38Å; Q484-E486 PolarHBondContact O-N 2.77Å
485	L	98.5	Very high	98.5	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.047	28%	0.282	C	S	.	.			trans	-70.9	117.7	174.5	-79.6	172.5	0	0	0	110.7	P312 I314 A459 F470 V481 V487	P312-L485 HydrophobicContact CG-CD2 4.42Å; I314-L485 HydrophobicContact CD1-CD2 4.06Å; A459-L485 HydrophobicContact CB-CD2 3.63Å; F470-L485 HydrophobicContact CD1-CD1 4.06Å; V481-L485 HydrophobicContact CG1-CD1 3.8Å; V481-L485 HydrophobicContact CG1-CG 4.07Å; V481-L485 VanDerWaalsContact O-CG 3.32Å; V481-L485 WeakPolarHBondContact O-CG 3.43Å; V481-L485 PolarHBondContact O-N 2.91Å; V481-L485 VanDerWaalsContact O-N 3.11Å; L485-V487 HydrophobicContact CB-CG2 4.02Å; L485-V487 PolarHBondContact O-N 3.39Å
486	E	98.2	Very high	98.4	Very high	102 Å²	102	54 Å²	54	48%	0.477	27%	0.274	S	S	.	.			trans	-79.5	56.6	-177.3	-66.2	-178	147.5	0	0	112.2	N460 G465 Q484 V507 K508	N460-E486 HydrophobicContact CB-CG 4.42Å; N460-E486 PolarHBondContact OD1-N 2.75Å; G465-E486 WeakPolarHBondContact CA-O 3.47Å; Q484-E486 PolarHBondContact O-N 2.77Å; E486-V507 WeakPolarHBondContact O-CG2 3.44Å; E486-K508 WeakPolarHBondContact OE2-CE 3.29Å; E486-K508 IonicContact OE2-NZ 3.42Å; E486-K508 PolarHBondContact OE2-NZ 2.94Å
487	V	98.4	Very high	98.3	Very high	23 Å²	23	53.4 Å²	53.4	14%	0.139	26%	0.263	C	S	.	.	S	Bend	trans	-123.9	157.5	-177.3	-60.1	0	0	0	0	111.2	L485 M489 V490	L485-V487 HydrophobicContact CB-CG2 4.02Å; L485-V487 PolarHBondContact O-N 3.39Å; V487-M489 VanDerWaalsContact CG2-O 3.23Å; V487-M489 WeakPolarHBondContact CG2-O 3.41Å; V487-V490 HydrophobicContact CG2-CG2 3.56Å
488	G	98.1	Very high	98.2	Very high	20 Å²	20	54.6 Å²	54.6	21%	0.206	27%	0.273	C	S	.	.	S	Bend	trans	-77.9	-16.9	179.1	0	0	0	0	0	115.3	G465 L466 G505	G465-G488 PolarHBondContact O-N 3.39Å; L466-G488 WeakPolarHBondContact O-CA 3.4Å; L466-G488 PolarHBondContact O-N 2.98Å; L466-G488 VanDerWaalsContact O-N 3.09Å; G488-G505 WeakPolarHBondContact CA-O 3.23Å
489	M	98.6	Very high	98.1	Very high	20 Å²	20	53.9 Å²	53.9	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	138.3	-175.4	-60.7	168.7	-77.5	0	0	110.3	V341 L466 A467 G468 V487 I497 F504	V341-M489 HydrophobicContact CG1-CE 4.11Å; L466-M489 HydrophobicContact CD1-CE 3.52Å; L466-M489 HydrophobicContact CG-CE 3.79Å; L466-M489 VanDerWaalsContact O-CE 3.26Å; L466-M489 WeakPolarHBondContact O-CE 3.48Å; L466-M489 PolarHBondContact O-N 3.05Å; A467-M489 CarbonylContact C-O 3.59Å; A467-M489 VanDerWaalsContact CA-O 3.3Å; A467-M489 WeakPolarHBondContact CA-O 3.42Å; A467-M489 HydrophobicContact CB-CB 4.42Å; A467-M489 HydrophobicContact CB-CE 4.19Å; G468-M489 PolarHBondContact N-O 3.4Å; V487-M489 VanDerWaalsContact CG2-O 3.23Å; V487-M489 WeakPolarHBondContact CG2-O 3.41Å; M489-I497 HydrophobicContact CB-CD1 3.89Å; M489-F504 HydrophobicContact CE-CD1 3.92Å; M489-F504 HydrophobicContact CE-CD2 4.34Å; M489-F504 HydrophobicContact CE-CE1 3.79Å; M489-F504 HydrophobicContact CE-CE2 4.22Å; M489-F504 HydrophobicContact CE-CG 4.21Å; M489-F504 HydrophobicContact CE-CZ 3.96Å; M489-F504 HydrophobicContact SD-CB 4.16Å; M489-F504 HydrophobicContact SD-CD1 3.91Å; M489-F504 HydrophobicContact SD-CD2 3.44Å; M489-F504 WeakPolarHBondContact SD-CD2 3.29Å; M489-F504 HydrophobicContact SD-CE1 4.15Å; M489-F504 HydrophobicContact SD-CE2 3.71Å; M489-F504 HydrophobicContact SD-CG 3.56Å; M489-F504 VanDerWaalsContact SD-CG 3.56Å; M489-F504 HydrophobicContact SD-CZ 4.07Å
490	V	98.8	Very high	98.1	Very high	48 Å²	48	46 Å²	46	29%	0.291	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.8	-179.7	-179.1	0	0	0	0	111.2	G468 F470 A482 V487 V492	G468-V490 CarbonylContact O-C 3.55Å; G468-V490 WeakPolarHBondContact O-CA 3.43Å; F470-V490 HydrophobicContact CD1-CG1 4.08Å; F470-V490 HydrophobicContact CE1-CG1 3.79Å; A482-V490 HydrophobicContact CB-CG1 4.36Å; V487-V490 HydrophobicContact CG2-CG2 3.56Å; V490-V492 HydrophobicContact CG1-CG2 4.04Å
491	G	98.7	Very high	98.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.1	166.9	0	0	0	0	0	111.9	G468 Y469 F470	G468-G491 PolarHBondContact O-N 3.3Å; Y469-G491 CarbonylContact C-O 3.59Å; Y469-G491 WeakPolarHBondContact CA-O 3.38Å; F470-G491 PolarHBondContact N-O 3.45Å
492	V	98.8	Very high	98.1	Very high	54 Å²	54	49.7 Å²	49.7	33%	0.327	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.8	178.7	-176.2	0	0	0	0	109	F470 I478 V490 E494	F470-V492 HydrophobicContact CE1-CG2 3.76Å; F470-V492 HydrophobicContact CE2-CG1 4.02Å; F470-V492 HydrophobicContact CZ-CB 4.31Å; F470-V492 HydrophobicContact CZ-CG1 3.9Å; F470-V492 HydrophobicContact CZ-CG2 3.7Å; I478-V492 HydrophobicContact CD1-CG1 4.4Å; I478-V492 HydrophobicContact CG1-CG1 4.05Å; I478-V492 HydrophobicContact CG2-CG1 3.76Å; V490-V492 HydrophobicContact CG1-CG2 4.04Å; V492-E494 PolarHBondContact O-N 3.48Å; V492-E494 VanDerWaalsContact O-N 3.09Å
493	N	98.6	Very high	98.1	Very high	42 Å²	42	50.7 Å²	50.7	23%	0.225	27%	0.274	C	S	.	.	S	Bend	trans	54.4	18.3	-172.9	-61.7	-60.9	0	0	0	115.1	F470 Y471 S472	F470-N493 PolarHBondContact O-N 3.27Å; Y471-N493 VanDerWaalsContact CA-OD1 3.31Å; Y471-N493 WeakPolarHBondContact CA-OD1 3.49Å; Y471-N493 HydrophobicContact CD1-CB 4.02Å; Y471-N493 WeakPolarHBondContact CD1-OD1 3.44Å; Y471-N493 HydrophobicContact CE1-CB 4.02Å; Y471-N493 WeakPolarHBondContact CE1-O 3.39Å; Y471-N493 VanDerWaalsContact CZ-O 3.29Å; Y471-N493 PolarHBondContact OH-O 3.38Å; S472-N493 PolarHBondContact N-OD1 3.05Å; S472-N493 PolarHBondContact O-ND2 3.09Å; S472-N493 PolarHBondContact O-OD1 3.46Å; S472-N493 VanDerWaalsContact O-OD1 3.11Å
494	E	98.4	Very high	98.1	Very high	94 Å²	94	44.7 Å²	44.7	44%	0.439	25%	0.246	S	C	.	.			trans	-139.4	137	177.8	175.9	54.8	-95.3	0	0	110.1	Y469 Y471 V492 L496	Y469-E494 WeakPolarHBondContact CD1-O 3.45Å; Y471-E494 VanDerWaalsContact OH-CA 3.26Å; Y471-E494 WeakPolarHBondContact OH-CA 3.49Å; Y471-E494 PolarHBondContact OH-N 3.41Å; V492-E494 PolarHBondContact O-N 3.48Å; V492-E494 VanDerWaalsContact O-N 3.09Å; E494-L496 PolarHBondContact OE1-N 3Å
495	G	95.9	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-97.4	-13.7	177.9	0	0	0	0	0	114.8	Y469 Y471	Y469-G495 VanDerWaalsContact CE1-O 3.29Å; Y469-G495 WeakPolarHBondContact CE1-O 3.42Å; Y471-G495 PolarHBondContact OH-N 2.98Å
496	L	96.1	Very high	98	Very high	79 Å²	79	39.9 Å²	39.9	41%	0.414	23%	0.225	S	C	.	.			trans	-116.3	66.8	-175	-64.9	-177.5	0	0	0	113.5	A330 E494 S498	A330-L496 HydrophobicContact CB-CD1 3.99Å; A330-L496 HydrophobicContact CB-CD2 4.04Å; A330-L496 HydrophobicContact CB-CG 3.81Å; E494-L496 PolarHBondContact OE1-N 3Å; L496-S498 PolarHBondContact O-N 3.4Å
497	I	97.3	Very high	98	Very high	40 Å²	40	37.6 Å²	37.6	21%	0.205	22%	0.217	C	C	.	.			trans	-74.8	22.3	179	64.7	179	0	0	0	115.7	A467 Y469 M489 S499	A467-I497 HydrophobicContact CB-CD1 4.45Å; Y469-I497 HydrophobicContact CE1-CD1 4.03Å; Y469-I497 HydrophobicContact CE1-CG1 4.11Å; Y469-I497 HydrophobicContact CE1-CG2 4.28Å; M489-I497 HydrophobicContact CB-CD1 3.89Å; I497-S499 PolarHBondContact O-N 3.01Å
498	S	95.5	Very high	97.9	Very high	39 Å²	39	40.6 Å²	40.6	27%	0.273	23%	0.229	S	C	.	.			trans	-84.1	106	-175.2	-57.2	0	0	0	0	111.7	R334 L496	R334-S498 PolarHBondContact NH1-OG 3.38Å; R334-S498 VanDerWaalsContact NH1-OG 3.11Å; L496-S498 PolarHBondContact O-N 3.4Å
499	S	98.3	Very high	97.9	Very high	22 Å²	22	42.5 Å²	42.5	15%	0.154	23%	0.232	C	C	.	.			trans	-139.2	144.4	-177	146.6	0	0	0	0	109.9	Y159 I497 E501 C502	Y159-S499 PolarHBondContact OH-N 3.45Å; Y159-S499 PolarHBondContact OH-O 2.95Å; I497-S499 PolarHBondContact O-N 3.01Å; S499-E501 WeakPolarHBondContact CB-OE1 3.32Å; S499-E501 PolarHBondContact OG-OE1 3.34Å; S499-E501 PolarHBondContact OG-OE2 3.23Å; S499-C502 WeakPolarHBondContact OG-CB 3.38Å; S499-C502 PolarHBondContact OG-N 2.68Å; S499-C502 PolarHBondContact OG-SG 2.97Å; S499-C502 VanDerWaalsContact OG-SG 3.4Å
500	V	98.6	Very high	97.8	Very high	12 Å²	12	41.5 Å²	41.5	7%	0.073	23%	0.227	C	C	.	.	S	Bend	trans	-85.5	-26.8	-176.1	-58.1	0	0	0	0	112.6	Y159 F162 F163 W166 G516 S517	Y159-V500 HydrophobicContact CD2-CG1 3.68Å; Y159-V500 HydrophobicContact CE2-CG1 3.61Å; F162-V500 HydrophobicContact CB-CG1 3.82Å; F162-V500 HydrophobicContact CB-CG2 4.11Å; F163-V500 HydrophobicContact CD1-CB 3.79Å; F163-V500 HydrophobicContact CD1-CG1 3.82Å; F163-V500 HydrophobicContact CD2-CG1 3.95Å; F163-V500 HydrophobicContact CE1-CB 3.71Å; F163-V500 HydrophobicContact CE1-CG1 3.76Å; F163-V500 HydrophobicContact CE2-CG1 3.91Å; F163-V500 HydrophobicContact CG-CB 4.35Å; F163-V500 HydrophobicContact CG-CG1 3.9Å; F163-V500 HydrophobicContact CZ-CB 4.21Å; F163-V500 HydrophobicContact CZ-CG1 3.82Å; W166-V500 HydrophobicContact CB-CG2 4.09Å; W166-V500 HydrophobicContact CG-CG2 4.41Å; V500-G516 CarbonylContact O-C 3.44Å; V500-G516 WeakPolarHBondContact O-CA 3.38Å; V500-S517 PolarHBondContact O-N 3.36Å
501	E	98.4	Very high	97.8	Very high	102 Å²	102	39.7 Å²	39.7	48%	0.477	22%	0.218	S	C	.	.	S	Bend	trans	-82.8	-10.1	177	64.1	-72.5	163.6	0	0	113.6	W166 S499 S517	W166-E501 HydrophobicContact CD2-CB 4.39Å; W166-E501 HydrophobicContact CE3-CB 3.9Å; W166-E501 HydrophobicContact CH2-CB 3.56Å; W166-E501 HydrophobicContact CZ2-CB 4.08Å; W166-E501 HydrophobicContact CZ3-CB 3.45Å; W166-E501 VanDerWaalsContact CZ3-CB 3.45Å; S499-E501 WeakPolarHBondContact CB-OE1 3.32Å; S499-E501 PolarHBondContact OG-OE1 3.34Å; S499-E501 PolarHBondContact OG-OE2 3.23Å; E501-S517 WeakPolarHBondContact O-CA 3.32Å; E501-S517 WeakPolarHBondContact O-CB 3.38Å
502	C	98.7	Very high	97.8	Very high	66 Å²	66	43.7 Å²	43.7	45%	0.446	24%	0.239	S	C	.	.	S	Bend	trans	-95.9	147.6	175.4	-77	0	0	0	0	113.4	S499 F504	S499-C502 WeakPolarHBondContact OG-CB 3.38Å; S499-C502 PolarHBondContact OG-N 2.68Å; S499-C502 PolarHBondContact OG-SG 2.97Å; S499-C502 VanDerWaalsContact OG-SG 3.4Å; C502-F504 PolarHBondContact O-N 3.14Å
503	P	98.4	Very high	97.8	Very high	53 Å²	53	42.4 Å²	42.4	34%	0.344	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-78.6	116.2	-178.3	28.5	-32	0	0	0	112.1	R514 Y519	P503-R514 HydrophobicContact CB-CB 4.21Å; P503-R514 HydrophobicContact CB-CG 4.14Å; P503-Y519 HydrophobicContact CB-CD2 4.07Å; P503-Y519 HydrophobicContact CG-CD2 4.35Å
504	F	98.6	Very high	97.8	Very high	16 Å²	16	43.2 Å²	43.2	7%	0.07	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-101.9	133.6	-178.5	-156.7	-78	0	0	0	111.7	R213 E306 V341 M489 C502 R514 E515	R213-F504 VanDerWaalsContact NH1-CD1 3.26Å; E306-F504 WeakPolarHBondContact OE2-CD1 3.48Å; E306-F504 WeakPolarHBondContact OE2-CE1 3.47Å; V341-F504 HydrophobicContact CG1-CE1 4.23Å; V341-F504 HydrophobicContact CG1-CE2 4.39Å; V341-F504 HydrophobicContact CG1-CZ 3.58Å; V341-F504 HydrophobicContact CG2-CZ 4.4Å; M489-F504 HydrophobicContact CE-CD1 3.92Å; M489-F504 HydrophobicContact CE-CD2 4.34Å; M489-F504 HydrophobicContact CE-CE1 3.79Å; M489-F504 HydrophobicContact CE-CE2 4.22Å; M489-F504 HydrophobicContact CE-CG 4.21Å; M489-F504 HydrophobicContact CE-CZ 3.96Å; M489-F504 HydrophobicContact SD-CB 4.16Å; M489-F504 HydrophobicContact SD-CD1 3.91Å; M489-F504 HydrophobicContact SD-CD2 3.44Å; M489-F504 WeakPolarHBondContact SD-CD2 3.29Å; M489-F504 HydrophobicContact SD-CE1 4.15Å; M489-F504 HydrophobicContact SD-CE2 3.71Å; M489-F504 HydrophobicContact SD-CG 3.56Å; M489-F504 VanDerWaalsContact SD-CG 3.56Å; M489-F504 HydrophobicContact SD-CZ 4.07Å; C502-F504 PolarHBondContact O-N 3.14Å; F504-R514 VanDerWaalsContact C-CD 3.49Å; F504-R514 CarbonylContact O-C 3.54Å; F504-R514 WeakPolarHBondContact O-CA 3.15Å; F504-R514 WeakPolarHBondContact O-CD 3.46Å; F504-E515 WeakPolarHBondContact CB-O 3.36Å; F504-E515 PolarHBondContact N-O 3.31Å; F504-E515 PolarHBondContact O-N 3.32Å
505	G	97.9	Very high	97.8	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	22%	0.218	C	C	.	.			trans	144.9	164.5	176	0	0	0	0	0	112.8	G488 R514	G488-G505 WeakPolarHBondContact CA-O 3.23Å; G505-R514 VanDerWaalsContact C-CZ 3.48Å; G505-R514 PolarHBondContact O-NE 3.3Å; G505-R514 PolarHBondContact O-NH2 3.02Å
506	G	97.6	Very high	97.9	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.031	22%	0.218	C	C	.	.			trans	-98.3	179.1	-168.2	0	0	0	0	0	116.4	G465 R514	G465-G506 CarbonylContact O-C 3.5Å; G465-G506 WeakPolarHBondContact O-CA 3.04Å; G506-R514 PolarHBondContact O-NH1 3.19Å; G506-R514 PolarHBondContact O-NH2 3.2Å
507	V	97.9	Very high	98	Very high	53 Å²	53	35.6 Å²	35.6	32%	0.321	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-176.6	163.6	-60.8	0	0	0	0	109.8	G465 E486 Q509 S510	G465-V507 WeakPolarHBondContact O-CG2 3.45Å; G465-V507 PolarHBondContact O-N 3.04Å; E486-V507 WeakPolarHBondContact O-CG2 3.44Å; V507-Q509 PolarHBondContact O-N 3Å; V507-S510 WeakPolarHBondContact O-CB 3.38Å; V507-S510 PolarHBondContact O-N 2.96Å
508	K	96.7	Very high	98.1	Very high	87 Å²	87	39.3 Å²	39.3	38%	0.378	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50	-131.6	-175.1	-58.3	175	172.9	170.6	0	111.1	N460 A462 D463 E486 S510	N460-K508 PolarHBondContact O-NZ 2.92Å; A462-K508 WeakPolarHBondContact O-CD 3.21Å; A462-K508 PolarHBondContact O-NZ 2.9Å; D463-K508 VanDerWaalsContact O-CB 3.23Å; D463-K508 WeakPolarHBondContact O-CB 3.5Å; E486-K508 WeakPolarHBondContact OE2-CE 3.29Å; E486-K508 IonicContact OE2-NZ 3.42Å; E486-K508 PolarHBondContact OE2-NZ 2.94Å; K508-S510 VanDerWaalsContact C-N 3.29Å; K508-S510 PolarHBondContact O-N 3.25Å
509	Q	97.4	Very high	98.2	Very high	59 Å²	59	43.2 Å²	43.2	28%	0.276	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4.8	178.5	-52.8	-172.1	41.4	0	0	114	T286 L307 D463 V464 V507 G511	T286-Q509 HydrophobicContact CG2-CB 4.38Å; L307-Q509 WeakPolarHBondContact CB-O 3.46Å; L307-Q509 WeakPolarHBondContact CD1-O 3.45Å; D463-Q509 VanDerWaalsContact O-CB 3.26Å; D463-Q509 WeakPolarHBondContact O-CB 3.15Å; D463-Q509 WeakPolarHBondContact O-CG 3.16Å; D463-Q509 PolarHBondContact O-N 3.3Å; D463-Q509 PolarHBondContact OD1-NE2 3.4Å; D463-Q509 PolarHBondContact OD2-NE2 2.92Å; V464-Q509 HydrophobicContact CG1-CB 4.45Å; V507-Q509 PolarHBondContact O-N 3Å; Q509-G511 VanDerWaalsContact C-N 3.35Å
510	S	97.6	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.3	177.1	-67.8	0	0	0	0	114.7	L307 G308 V464 G465 L466 V507 K508	L307-S510 PolarHBondContact N-O 2.97Å; G308-S510 PolarHBondContact O-OG 3.34Å; V464-S510 WeakPolarHBondContact CA-OG 3.42Å; V464-S510 WeakPolarHBondContact CB-OG 3.38Å; G465-S510 PolarHBondContact N-OG 3.3Å; L466-S510 PolarHBondContact N-OG 3.15Å; V507-S510 WeakPolarHBondContact O-CB 3.38Å; V507-S510 PolarHBondContact O-N 2.96Å; K508-S510 VanDerWaalsContact C-N 3.29Å; K508-S510 PolarHBondContact O-N 3.25Å
511	G	97.8	Very high	98.3	Very high	9 Å²	9	42 Å²	42	9%	0.093	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-169.5	169	0	0	0	0	0	117.3	M305 Q509	M305-G511 CarbonylContact O-C 3.55Å; M305-G511 WeakPolarHBondContact O-CA 3.46Å; Q509-G511 VanDerWaalsContact C-N 3.35Å
512	L	98.8	Very high	98.3	Very high	85 Å²	85	39.8 Å²	39.8	45%	0.445	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133.4	178.2	-66.8	174.6	0	0	0	108.9	L293 V303 S304 M305	L293-L512 HydrophobicContact CD2-CD1 3.92Å; V303-L512 HydrophobicContact CG1-CD1 4.41Å; S304-L512 CarbonylContact C-O 3.57Å; S304-L512 VanDerWaalsContact CA-O 3.26Å; S304-L512 WeakPolarHBondContact CA-O 3.32Å; S304-L512 WeakPolarHBondContact CB-O 3.4Å; M305-L512 PolarHBondContact N-O 3.03Å; M305-L512 PolarHBondContact O-N 3.01Å
513	G	98.4	Very high	98.3	Very high	27 Å²	27	38.1 Å²	38.1	28%	0.278	19%	0.192	S	C	.	.	S	Bend	trans	79.5	-170.1	179.2	0	0	0	0	0	114.6	E523	G513-E523 WeakPolarHBondContact CA-OE1 3.29Å
514	R	98.7	Very high	98.3	Very high	59 Å²	59	35.8 Å²	35.8	22%	0.223	18%	0.176	C	C	.	.			trans	-139.1	151.6	175.7	-69.1	-65.3	-179	-88.5	8.3	111.8	P503 F504 G505 G506 E523	P503-R514 HydrophobicContact CB-CB 4.21Å; P503-R514 HydrophobicContact CB-CG 4.14Å; F504-R514 VanDerWaalsContact C-CD 3.49Å; F504-R514 CarbonylContact O-C 3.54Å; F504-R514 WeakPolarHBondContact O-CA 3.15Å; F504-R514 WeakPolarHBondContact O-CD 3.46Å; G505-R514 VanDerWaalsContact C-CZ 3.48Å; G505-R514 PolarHBondContact O-NE 3.3Å; G505-R514 PolarHBondContact O-NH2 3.02Å; G506-R514 PolarHBondContact O-NH1 3.19Å; G506-R514 PolarHBondContact O-NH2 3.2Å; R514-E523 PolarHBondContact N-OE1 3.04Å; R514-E523 WeakPolarHBondContact O-CG 3.46Å
515	E	98.8	Very high	98.3	Very high	11 Å²	11	35.3 Å²	35.3	5%	0.051	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-122.3	153.8	176.7	-49.3	-159.6	141.3	0	0	109.8	R213 K214 S281 F504	R213-E515 IonicContact CZ-OE2 2.69Å; R213-E515 IonicContact NE-OE2 3.59Å; R213-E515 PolarHBondContact NE-OE2 2.9Å; R213-E515 IonicContact NH1-OE2 3.42Å; R213-E515 IonicContact NH2-OE2 2.7Å; K214-E515 WeakPolarHBondContact CG-OE1 3.34Å; K214-E515 IonicContact NZ-OE1 2.92Å; K214-E515 PolarHBondContact NZ-OE1 3.31Å; K214-E515 IonicContact NZ-OE2 2.8Å; K214-E515 PolarHBondContact NZ-OE2 3.46Å; S281-E515 PolarHBondContact OG-OE1 3.43Å; F504-E515 WeakPolarHBondContact CB-O 3.36Å; F504-E515 PolarHBondContact N-O 3.31Å; F504-E515 PolarHBondContact O-N 3.32Å
516	G	98.1	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	70.7	-178	-166.2	0	0	0	0	0	113.3	V500 G520	V500-G516 CarbonylContact O-C 3.44Å; V500-G516 WeakPolarHBondContact O-CA 3.38Å; G516-G520 WeakPolarHBondContact O-CA 3.5Å; G516-G520 PolarHBondContact O-N 2.84Å
517	S	98.6	Very high	98.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.021	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-173.2	-174.4	76.9	0	0	0	0	115.3	W166 V500 E501 Y519	W166-S517 PolarHBondContact NE1-O 3.05Å; V500-S517 PolarHBondContact O-N 3.36Å; E501-S517 WeakPolarHBondContact O-CA 3.32Å; E501-S517 WeakPolarHBondContact O-CB 3.38Å; S517-Y519 PolarHBondContact O-N 3.44Å; S517-Y519 WeakPolarHBondContact OG-CD2 3.21Å; S517-Y519 PolarHBondContact OG-N 3.01Å
518	K	98.6	Very high	98.5	Very high	117 Å²	117	47.1 Å²	47.1	51%	0.509	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24	167.5	67.7	179.8	-173.2	177.4	0	113.3	E170 I521	E170-K518 WeakPolarHBondContact OE2-CA 3.39Å; E170-K518 WeakPolarHBondContact OE2-CB 3.28Å; K518-I521 WeakPolarHBondContact O-CG2 3.29Å
519	Y	98.8	Very high	98.6	Very high	121 Å²	121	49.7 Å²	49.7	48%	0.475	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-80.3	-28.2	-175.5	-58.3	-67.2	0	0	0	112.8	P503 S517 I521 D522	P503-Y519 HydrophobicContact CB-CD2 4.07Å; P503-Y519 HydrophobicContact CG-CD2 4.35Å; S517-Y519 PolarHBondContact O-N 3.44Å; S517-Y519 WeakPolarHBondContact OG-CD2 3.21Å; S517-Y519 PolarHBondContact OG-N 3.01Å; Y519-I521 PolarHBondContact O-N 3.46Å; Y519-I521 VanDerWaalsContact O-N 3.09Å; Y519-D522 PolarHBondContact O-N 3.31Å; Y519-D522 VanDerWaalsContact O-N 3.1Å
520	G	98.8	Very high	98.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.01	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-64.7	-16.1	-175.5	0	0	0	0	0	115.1	A217 G516 Y524	A217-G520 WeakPolarHBondContact CB-O 3.43Å; G516-G520 WeakPolarHBondContact O-CA 3.5Å; G516-G520 PolarHBondContact O-N 2.84Å; G520-Y524 WeakPolarHBondContact O-CD2 3.21Å
521	I	98.9	Very high	98.7	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.041	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-82.2	-27.8	175.4	-158.7	166	0	0	0	112.8	F167 E170 V174 A220 A221 K518 Y519 E523 Y524 L525	F167-I521 HydrophobicContact CE1-CB 4.45Å; E170-I521 HydrophobicContact CB-CD1 4.09Å; V174-I521 HydrophobicContact CG2-CD1 3.58Å; V174-I521 HydrophobicContact CG2-CG1 4.29Å; A220-I521 HydrophobicContact CB-CD1 3.71Å; A220-I521 HydrophobicContact CB-CG1 4.47Å; A221-I521 HydrophobicContact CB-CG1 4Å; K518-I521 WeakPolarHBondContact O-CG2 3.29Å; Y519-I521 PolarHBondContact O-N 3.46Å; Y519-I521 VanDerWaalsContact O-N 3.09Å; I521-E523 PolarHBondContact O-N 2.69Å; I521-Y524 PolarHBondContact O-N 2.96Å; I521-L525 HydrophobicContact CG1-CD1 4.31Å; I521-L525 HydrophobicContact CG2-CD1 4.34Å; I521-L525 WeakPolarHBondContact O-CG 3.34Å
522	D	98.9	Very high	98.7	Very high	56 Å²	56	58.3 Å²	58.3	30%	0.299	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-67.4	-21.5	177.7	-75.9	-44.9	0	0	0	112.4	K192 R302 Y519 Y524 L525	K192-D522 IonicContact NZ-OD1 3.18Å; K192-D522 PolarHBondContact NZ-OD1 3.39Å; K192-D522 IonicContact NZ-OD2 3.34Å; R302-D522 PolarHBondContact NH2-O 2.76Å; R302-D522 VanDerWaalsContact NH2-O 3.11Å; Y519-D522 PolarHBondContact O-N 3.31Å; Y519-D522 VanDerWaalsContact O-N 3.1Å; D522-Y524 PolarHBondContact O-N 2.95Å; D522-Y524 VanDerWaalsContact O-N 3.16Å; D522-L525 PolarHBondContact O-N 3.29Å
523	E	98.8	Very high	98.6	Very high	31 Å²	31	56.1 Å²	56.1	15%	0.145	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.4	169.5	-73.4	-55.7	152.7	0	0	114.2	I195 K279 S304 G513 R514 I521	I195-E523 VanDerWaalsContact CD1-O 3.26Å; I195-E523 WeakPolarHBondContact CD1-O 3.4Å; K279-E523 WeakPolarHBondContact CD-O 3.34Å; K279-E523 WeakPolarHBondContact CE-O 3.49Å; K279-E523 PolarHBondContact NZ-O 3.19Å; K279-E523 IonicContact NZ-OE2 3.06Å; K279-E523 PolarHBondContact NZ-OE2 2.85Å; S304-E523 WeakPolarHBondContact CB-OE2 3.5Å; G513-E523 WeakPolarHBondContact CA-OE1 3.29Å; R514-E523 PolarHBondContact N-OE1 3.04Å; R514-E523 WeakPolarHBondContact O-CG 3.46Å; I521-E523 PolarHBondContact O-N 2.69Å
524	Y	98.9	Very high	98.5	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.012	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-115.8	9.4	-176.5	-62	-82.9	0	0	0	113.2	P194 I195 A198 K214 A217 A218 C223 K279 S281 G520 I521 D522	P194-Y524 WeakPolarHBondContact CA-O 3.29Å; I195-Y524 VanDerWaalsContact CD1-C 3.41Å; I195-Y524 WeakPolarHBondContact CG1-O 3.45Å; I195-Y524 PolarHBondContact N-O 2.79Å; A198-Y524 HydrophobicContact CB-CD1 4.38Å; A198-Y524 HydrophobicContact CB-CE1 4.06Å; K214-Y524 PolarHBondContact O-OH 3.27Å; A217-Y524 HydrophobicContact CB-CD2 3.67Å; A217-Y524 HydrophobicContact CB-CE2 3.61Å; A218-Y524 HydrophobicContact CB-CD1 3.64Å; A218-Y524 HydrophobicContact CB-CE1 3.7Å; A218-Y524 HydrophobicContact CB-CG 4.13Å; C223-Y524 PolarHBondContact SG-O 3.09Å; K279-Y524 HydrophobicContact CG-CD1 4.06Å; K279-Y524 HydrophobicContact CG-CE1 3.93Å; S281-Y524 WeakPolarHBondContact CB-OH 3.31Å; G520-Y524 WeakPolarHBondContact O-CD2 3.21Å; I521-Y524 PolarHBondContact O-N 2.96Å; D522-Y524 PolarHBondContact O-N 2.95Å; D522-Y524 VanDerWaalsContact O-N 3.16Å
525	L	98.9	Very high	98.3	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.037	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.9	-177.8	-65.4	167.4	0	0	0	112.6	V174 K192 Q193 A221 R302 I521 D522	V174-L525 HydrophobicContact CB-CD1 4.5Å; V174-L525 HydrophobicContact CG1-CD1 3.65Å; V174-L525 HydrophobicContact CG1-CD2 4.01Å; V174-L525 HydrophobicContact CG2-CD1 4.04Å; K192-L525 HydrophobicContact CB-CD1 4.32Å; K192-L525 HydrophobicContact CB-CD2 4.43Å; K192-L525 HydrophobicContact CD-CD1 4.01Å; Q193-L525 CarbonylContact O-C 3.56Å; Q193-L525 WeakPolarHBondContact O-CA 3.42Å; A221-L525 HydrophobicContact CB-CD2 3.81Å; A221-L525 HydrophobicContact CB-CG 4.06Å; R302-L525 PolarHBondContact NH1-O 3.34Å; I521-L525 HydrophobicContact CG1-CD1 4.31Å; I521-L525 HydrophobicContact CG2-CD1 4.34Å; I521-L525 WeakPolarHBondContact O-CG 3.34Å; D522-L525 PolarHBondContact O-N 3.29Å
526	E	98.8	Very high	98.3	Very high	86 Å²	86	64.4 Å²	64.4	40%	0.402	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146	163.5	-72.4	-53.1	149	0	0	111.1	K192 Q193 I195 R302	K192-E526 WeakPolarHBondContact CA-O 3.32Å; Q193-E526 PolarHBondContact N-O 2.85Å; Q193-E526 PolarHBondContact O-N 3.46Å; I195-E526 HydrophobicContact CG1-CG 3.95Å; R302-E526 WeakPolarHBondContact CG-OE1 3.43Å; R302-E526 IonicContact CZ-OE1 3.32Å; R302-E526 VanDerWaalsContact NH1-CD 3.28Å; R302-E526 IonicContact NH1-OE1 2.75Å; R302-E526 PolarHBondContact NH1-OE1 3.11Å; R302-E526 IonicContact NH1-OE2 3.15Å
527	L	98.8	Very high	98.3	Very high	115 Å²	115	67.7 Å²	67.7	60%	0.602	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.9	170.4	-55.4	-173.5	0	0	0	110.4	V190 L191 K192	V190-L527 HydrophobicContact CG1-CB 4.28Å; V190-L527 HydrophobicContact CG1-CD2 4.48Å; L191-L527 CarbonylContact O-C 3.42Å; K192-L527 HydrophobicContact CD-CD2 4.14Å; K192-L527 HydrophobicContact CG-CD2 3.75Å
528	K	98.8	Very high	98.3	Very high	104 Å²	104	71.3 Å²	71.3	45%	0.452	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	107.2	175.2	179	173.8	-71.5	167.3	0	110.7	V190 L191 V530	V190-K528 WeakPolarHBondContact CA-O 3.45Å; L191-K528 HydrophobicContact CB-CB 4.39Å; L191-K528 PolarHBondContact N-O 3.37Å; L191-K528 PolarHBondContact O-N 3.27Å; K528-V530 HydrophobicContact CG-CG2 4.26Å
529	Y	98.6	Very high	98.3	Very high	142 Å²	142	68.6 Å²	68.6	56%	0.557	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.7	167.2	171.1	-131.2	0	0	0	110.6	A188 L189 C531	A188-Y529 HydrophobicContact CB-CD2 4.42Å; A188-Y529 HydrophobicContact CB-CE2 3.62Å; L189-Y529 CarbonylContact O-C 3.52Å; L189-Y529 WeakPolarHBondContact O-CA 3.46Å; Y529-C531 HydrophobicContact CE1-CB 4.13Å; Y529-C531 HydrophobicContact CE2-CB 4.31Å; Y529-C531 WeakPolarHBondContact OH-CB 3.44Å
530	V	98.8	Very high	98.3	Very high	50 Å²	50	65.4 Å²	65.4	30%	0.303	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.7	171.6	-177.9	0	0	0	0	108.5	L189 L191 K528 Y532	L189-V530 HydrophobicContact CB-CB 4.31Å; L189-V530 PolarHBondContact N-O 3.37Å; L189-V530 PolarHBondContact O-N 3.42Å; L191-V530 HydrophobicContact CD1-CG2 4.06Å; L191-V530 HydrophobicContact CG-CG2 4.36Å; K528-V530 HydrophobicContact CG-CG2 4.26Å; V530-Y532 PolarHBondContact O-N 3.32Å
531	C	98.4	Very high	98.2	Very high	54 Å²	54	69.7 Å²	69.7	37%	0.365	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	96.8	170.5	-177.1	0	0	0	0	109.3	Y529 G533	Y529-C531 HydrophobicContact CE1-CB 4.13Å; Y529-C531 HydrophobicContact CE2-CB 4.31Å; Y529-C531 WeakPolarHBondContact OH-CB 3.44Å; C531-G533 PolarHBondContact O-N 2.98Å
532	Y	98.3	Very high	98.2	Very high	145 Å²	145	74.1 Å²	74.1	57%	0.569	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	96.3	172.7	-158	-58.3	0	0	0	108.3	R186 R187 V530 L535	R186-Y532 CarbonylContact C-O 3.55Å; R186-Y532 WeakPolarHBondContact CA-O 3.32Å; R186-Y532 WeakPolarHBondContact CB-O 3.39Å; R187-Y532 PolarHBondContact N-O 3.38Å; R187-Y532 PolarHBondContact O-N 3.06Å; V530-Y532 PolarHBondContact O-N 3.32Å; Y532-L535 HydrophobicContact CD1-CD1 4.35Å; Y532-L535 HydrophobicContact CD1-CD2 3.95Å; Y532-L535 HydrophobicContact CD1-CG 4.28Å; Y532-L535 HydrophobicContact CE1-CD2 3.92Å
533	G	97.4	Very high	98.1	Very high	38 Å²	38	75.5 Å²	75.5	39%	0.392	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	175.3	177.2	0	0	0	0	0	113.5	D185 C531	D185-G533 CarbonylContact O-C 3.59Å; D185-G533 WeakPolarHBondContact O-CA 3.49Å; C531-G533 PolarHBondContact O-N 2.98Å
534	G	95.2	Very high	98.1	Very high	77 Å²	77	79.2 Å²	79.2	79%	0.794	43%	0.43	S	S	*	.			trans	85.1	38.4	-179.7	0	0	0	0	0	113.2	D185	D185-G534 PolarHBondContact O-N 3.03Å
535	L	96.1	Very high	98	Very high	129 Å²	129	86.1 Å²	86.1	68%	0.675	47%	0.468	S	S	*	.			trans	-112.8	0	-176.8	-55.2	177.4	0	0	0	112.6	D185 R187 Y532	D185-L535 WeakPolarHBondContact CA-O 3.42Å; D185-L535 PolarHBondContact O-N 2.81Å; D185-L535 VanDerWaalsContact O-N 3.11Å; R187-L535 HydrophobicContact CG-CD1 3.7Å; Y532-L535 HydrophobicContact CD1-CD1 4.35Å; Y532-L535 HydrophobicContact CD1-CD2 3.95Å; Y532-L535 HydrophobicContact CD1-CG 4.28Å; Y532-L535 HydrophobicContact CE1-CD2 3.92Å

Retrieved 535 of 535 residues in 237.1 ms (Link to these results)

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