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Carboxypeptidase

Protective protein appears to be essential for both the activity of beta-galactosidase and neuraminidase, it associates with these enzymes and exerts a protective function necessary for their stability and activity. Also functions as an activator of the sialidase NEU1. This protein is also a carboxypeptidase and can deamidate tachykinins.

AlphaFold DB , UniProt , Accession X6R8A1, Species HUMAN (Homo sapiens, Human), Gene CTSA, Length 498 aa.

Structure Viewer

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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	40.1	Very low	42	Very low	246 Å²	246	140.6 Å²	140.6	100%	1.212	83%	0.83	S	S	*	*				0	102.4	0	-73.2	176.5	-178.1	0	0	106.8
2	T	36.6	Very low	41.5	Very low	143 Å²	143	145.4 Å²	145.4	88%	0.877	84%	0.838	S	S	*	*			trans	-94.2	141.9	-161.7	31.7	0	0	0	0	112.6
3	S	36.3	Very low	41.2	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	83%	0.831	S	S	*	*			trans	-39.6	125.6	169.9	48.8	0	0	0	0	117.1
4	S	35.5	Very low	40.9	Very low	109 Å²	109	148.4 Å²	148.4	76%	0.762	84%	0.842	S	S	*	*				37.3	161	102.1	-128.7	0	0	0	0	119.2
5	P	65.9	Low	40.5	Very low	102 Å²	102	143.5 Å²	143.5	66%	0.662	84%	0.836	S	S	*	*				-137.6	171.2	-64.6	38.5	-21.6	0	0	0	112.3
6	R	34.3	Very low	40.7	Very low	248 Å²	248	140.1 Å²	140.1	94%	0.936	84%	0.842	S	S	*	*			trans	157.3	144.2	132.8	-89.8	178.8	-178.5	179	1	114.1
7	A	37	Very low	40.5	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	84%	0.839	S	S	*	*			trans	-75.5	-163.5	-174.8	0	0	0	0	0	114.8
8	P	55.5	Low	40.8	Very low	117 Å²	117	140.6 Å²	140.6	76%	0.76	84%	0.842	S	S	*	*				-125.6	-137.5	-51.5	33.7	-12.4	0	0	0	108.3
9	P	51.8	Low	40.8	Very low	118 Å²	118	143.1 Å²	143.1	77%	0.766	85%	0.847	S	S	*	*			cis	-126.5	171.1	-42	32.2	-13.8	0	0	0	114.3
10	G	34.6	Very low	41.1	Very low	73 Å²	73	144 Å²	144	75%	0.753	85%	0.846	S	S	*	*			trans	84.4	134.1	135.7	0	0	0	0	0	122.4
11	E	34.2	Very low	41.4	Very low	193 Å²	193	149 Å²	149	90%	0.902	85%	0.85	S	S	*	*			trans	150.5	109.4	141.2	-87.7	-174.4	163.4	0	0	110.4
12	Q	36.4	Very low	42	Very low	198 Å²	198	141.7 Å²	141.7	93%	0.925	83%	0.829	S	S	*	*				54.1	104.4	86.4	-79	-164.7	5.1	0	0	117.7
13	G	37.7	Very low	43.2	Very low	72 Å²	72	139.1 Å²	139.1	74%	0.742	82%	0.823	S	S	*	*				101	147.2	120.4	0	0	0	0	0	121
14	R	37.1	Very low	44.1	Very low	261 Å²	261	137.6 Å²	137.6	99%	0.985	81%	0.81	S	S	*	*			trans	89.1	133.9	169.2	-58	177.6	176.5	-175.6	-0.6	114.9
15	G	34	Very low	45.6	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	80%	0.8	S	S	*	*			cis	148.8	123.6	13.9	0	0	0	0	0	105.9
16	G	44.8	Very low	45.7	Very low	90 Å²	90	136.4 Å²	136.4	93%	0.928	80%	0.8	S	S	*	*			trans	-68.4	140.5	-178.8	0	0	0	0	0	112.3
17	A	37.6	Very low	47.2	Very low	95 Å²	95	131.4 Å²	131.4	79%	0.785	79%	0.791	S	S	*	*			trans	-135.6	125.9	167.5	0	0	0	0	0	109.5
18	E	45.9	Very low	48.7	Very low	193 Å²	193	133.1 Å²	133.1	90%	0.902	78%	0.782	S	S	*	*			trans	-59.6	131.8	173.1	-71.6	172.3	128.8	0	0	111.4
19	M	39.2	Very low	49.2	Very low	189 Å²	189	131.9 Å²	131.9	93%	0.931	77%	0.768	S	S	*	*			trans	-87.9	105.3	169.6	-97.5	-174.7	-82.8	0	0	110.1	R21	M19-R21 PolarHBondContact O-N 3.22Å
20	I	47.6	Very low	50.2	Low	161 Å²	161	131.6 Å²	131.6	83%	0.826	76%	0.759	S	S	*	*			trans	-70.5	118	166.1	-61.7	173.4	0	0	0	108.2	A22	I20-A22 PolarHBondContact O-N 3.42Å
21	R	47.4	Very low	51.9	Low	248 Å²	248	133.1 Å²	133.1	94%	0.936	75%	0.75	S	S	*	*			trans	-70.5	107.4	170.4	-81.9	-179.7	174.1	177.6	-1.9	109.4	M19	M19-R21 PolarHBondContact O-N 3.22Å
22	A	53.5	Low	53.5	Low	94 Å²	94	128 Å²	128	78%	0.777	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-71.2	129.9	168.3	0	0	0	0	0	110.2	I20	I20-A22 PolarHBondContact O-N 3.42Å
23	A	60.2	Low	55	Low	89 Å²	89	123.1 Å²	123.1	74%	0.736	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-66.8	142.9	171.3	0	0	0	0	0	110.2
24	P	57.1	Low	56.3	Low	76 Å²	76	124.2 Å²	124.2	49%	0.494	70%	0.697	S	S	.	*	P	Polyproline II helix	trans	-65.1	147.9	-178.5	25.6	-31.1	0	0	0	111.2	L29	P24-L29 HydrophobicContact CG-CD1 4.08Å
25	P	66.9	Low	57.5	Low	83 Å²	83	117 Å²	117	54%	0.539	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-64.9	148.3	-177.8	25.3	-31.8	0	0	0	111.3	L27 F28	P25-L27 PolarHBondContact O-N 2.91Å; P25-F28 HydrophobicContact CG-CB 4.27Å; P25-F28 WeakPolarHBondContact O-CB 3.4Å; P25-F28 PolarHBondContact O-N 3.05Å
26	P	67.6	Low	58.7	Low	103 Å²	103	117.9 Å²	117.9	67%	0.669	66%	0.664	S	S	*	*	H	α-helix	trans	-59.4	-25.3	-172.7	20.1	-31	0	0	0	114	F28 L30	P26-F28 VanDerWaalsContact C-N 3.33Å; P26-F28 PolarHBondContact O-N 3.14Å; P26-L30 PolarHBondContact O-N 3.48Å; P26-L30 VanDerWaalsContact O-N 3.14Å
27	L	65.5	Low	59.2	Low	142 Å²	142	119 Å²	119	74%	0.743	65%	0.648	S	S	*	*	H	α-helix	trans	-65.5	-33.4	174	-116.6	90.8	0	0	0	113.3	P25 L30 L31	P25-L27 PolarHBondContact O-N 2.91Å; L27-L30 PolarHBondContact O-N 3.44Å; L27-L31 PolarHBondContact O-N 2.85Å
28	F	68.3	Low	59.9	Low	127 Å²	127	119.4 Å²	119.4	56%	0.557	64%	0.64	S	S	*	*	H	α-helix	trans	-73.9	-37.5	-177.7	-156	-96.9	0	0	0	111.2	P25 P26 L31 L32	P25-F28 HydrophobicContact CG-CB 4.27Å; P25-F28 WeakPolarHBondContact O-CB 3.4Å; P25-F28 PolarHBondContact O-N 3.05Å; P26-F28 VanDerWaalsContact C-N 3.33Å; P26-F28 PolarHBondContact O-N 3.14Å; F28-L31 PolarHBondContact O-N 3.41Å; F28-L32 HydrophobicContact CD1-CD1 3.69Å; F28-L32 HydrophobicContact CE1-CD1 3.73Å; F28-L32 WeakPolarHBondContact O-CB 3.49Å; F28-L32 PolarHBondContact O-N 2.89Å
29	L	66.9	Low	60	Low	90 Å²	90	113.2 Å²	113.2	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-64.9	-39.3	171	-93.6	133.6	0	0	0	112	P24 L32 L33	P24-L29 HydrophobicContact CG-CD1 4.08Å; L29-L32 PolarHBondContact O-N 3.46Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 WeakPolarHBondContact O-CD1 3.44Å; L29-L33 PolarHBondContact O-N 3.03Å
30	L	70.9	Confident	60.2	Low	112 Å²	112	114.7 Å²	114.7	59%	0.586	61%	0.613	S	S	*	*	H	α-helix	trans	-65.2	-40.7	175.9	-129	99	0	0	0	112.1	P26 L27 L33 L34	P26-L30 PolarHBondContact O-N 3.48Å; P26-L30 VanDerWaalsContact O-N 3.14Å; L27-L30 PolarHBondContact O-N 3.44Å; L30-L33 PolarHBondContact O-N 3.39Å; L30-L34 HydrophobicContact CD2-CD1 4.46Å; L30-L34 WeakPolarHBondContact O-CB 3.47Å; L30-L34 PolarHBondContact O-N 3.04Å
31	L	71.6	Confident	59.9	Low	106 Å²	106	109.9 Å²	109.9	56%	0.555	60%	0.598	S	S	*	*	H	α-helix	trans	-66.9	-40.1	177.6	-138.3	94.2	0	0	0	111.8	L27 F28 L34 L35	L27-L31 PolarHBondContact O-N 2.85Å; F28-L31 PolarHBondContact O-N 3.41Å; L31-L34 PolarHBondContact O-N 3.4Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 WeakPolarHBondContact O-CD1 3.14Å; L31-L35 VanDerWaalsContact O-CG 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 2.79Å
32	L	68.1	Low	59.7	Low	86 Å²	86	103.5 Å²	103.5	45%	0.45	59%	0.591	S	S	.	*	H	α-helix	trans	-64.9	-41	173	-95.2	150	0	0	0	112	F28 L29 L35 L36	F28-L32 HydrophobicContact CD1-CD1 3.69Å; F28-L32 HydrophobicContact CE1-CD1 3.73Å; F28-L32 WeakPolarHBondContact O-CB 3.49Å; F28-L32 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 3.46Å; L32-L35 PolarHBondContact O-N 3.37Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 3.27Å; L32-L36 WeakPolarHBondContact O-CD1 3.23Å; L32-L36 VanDerWaalsContact O-CG 3.22Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 2.83Å
33	L	66.8	Low	59.4	Low	94 Å²	94	109.6 Å²	109.6	49%	0.492	59%	0.594	S	S	.	*	H	α-helix	trans	-65.3	-39.5	173.9	-89.2	153	0	0	0	111.9	L29 L30 L36 L37	L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 WeakPolarHBondContact O-CD1 3.44Å; L29-L33 PolarHBondContact O-N 3.03Å; L30-L33 PolarHBondContact O-N 3.39Å; L33-L36 PolarHBondContact O-N 2.87Å; L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.22Å; L33-L37 WeakPolarHBondContact O-CD1 3.38Å; L33-L37 WeakPolarHBondContact O-CG 3.28Å; L33-L37 PolarHBondContact O-N 3.41Å
34	L	66.1	Low	58.6	Low	96 Å²	96	107.9 Å²	107.9	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-66.3	-40.9	173.2	-93.2	146.1	0	0	0	112.1	L30 L31 L36 L37 V38	L30-L34 HydrophobicContact CD2-CD1 4.46Å; L30-L34 WeakPolarHBondContact O-CB 3.47Å; L30-L34 PolarHBondContact O-N 3.04Å; L31-L34 PolarHBondContact O-N 3.4Å; L34-L36 VanDerWaalsContact C-N 3.35Å; L34-L37 PolarHBondContact O-N 2.7Å; L34-V38 WeakPolarHBondContact O-CB 3.5Å; L34-V38 WeakPolarHBondContact O-CG2 3.19Å; L34-V38 PolarHBondContact O-N 3.1Å
35	L	62.3	Low	58.3	Low	110 Å²	110	112.8 Å²	112.8	58%	0.576	60%	0.601	S	S	*	*	H	α-helix	trans	-67.2	-34.8	174.1	-76.2	160.9	0	0	0	112.2	L31 L32 S39	L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 WeakPolarHBondContact O-CD1 3.14Å; L31-L35 VanDerWaalsContact O-CG 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 2.79Å; L32-L35 PolarHBondContact O-N 3.37Å; L35-S39 WeakPolarHBondContact O-CB 3.3Å; L35-S39 PolarHBondContact O-N 3.33Å; L35-S39 PolarHBondContact O-OG 2.84Å
36	L	58.5	Low	58.5	Low	92 Å²	92	112.2 Å²	112.2	48%	0.482	60%	0.603	S	S	.	*	H	α-helix	trans	-69.8	-39.1	172.1	-76.3	162.7	0	0	0	111.6	L32 L33 L34 S39 W40	L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 3.27Å; L32-L36 WeakPolarHBondContact O-CD1 3.23Å; L32-L36 VanDerWaalsContact O-CG 3.22Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 2.83Å; L33-L36 PolarHBondContact O-N 2.87Å; L34-L36 VanDerWaalsContact C-N 3.35Å; L36-S39 VanDerWaalsContact CA-OG 3.23Å; L36-S39 WeakPolarHBondContact CA-OG 3.41Å; L36-S39 PolarHBondContact O-N 3.01Å; L36-S39 PolarHBondContact O-OG 3.31Å; L36-S39 VanDerWaalsContact O-OG 3.04Å; L36-W40 PolarHBondContact O-N 3.04Å
37	L	54.5	Low	59.2	Low	114 Å²	114	107.5 Å²	107.5	60%	0.597	57%	0.573	S	S	*	*	H	α-helix	trans	-70.7	-32.6	175.5	-74.4	162.6	0	0	0	112.4	L33 L34 W40 A41	L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.22Å; L33-L37 WeakPolarHBondContact O-CD1 3.38Å; L33-L37 WeakPolarHBondContact O-CG 3.28Å; L33-L37 PolarHBondContact O-N 3.41Å; L34-L37 PolarHBondContact O-N 2.7Å; L37-W40 CarbonylContact O-C 3.4Å; L37-W40 PolarHBondContact O-N 3.33Å; L37-A41 PolarHBondContact O-N 3.01Å; L37-A41 VanDerWaalsContact O-N 3.1Å
38	V	53.5	Low	60.5	Low	102 Å²	102	101.5 Å²	101.5	62%	0.618	54%	0.543	S	S	*	.	H	α-helix	trans	-74.4	-28	172.4	173.5	0	0	0	0	111.7	L34 W40 A41	L34-V38 WeakPolarHBondContact O-CB 3.5Å; L34-V38 WeakPolarHBondContact O-CG2 3.19Å; L34-V38 PolarHBondContact O-N 3.1Å; V38-W40 VanDerWaalsContact C-N 3.3Å; V38-A41 VanDerWaalsContact O-CB 3.28Å; V38-A41 WeakPolarHBondContact O-CB 3.28Å; V38-A41 PolarHBondContact O-N 3.1Å
39	S	48	Very low	61.6	Low	63 Å²	63	101.7 Å²	101.7	44%	0.441	55%	0.55	S	S	.	.	H	α-helix	trans	-80.9	-10.7	170.5	41	0	0	0	0	113.7	L35 L36	L35-S39 WeakPolarHBondContact O-CB 3.3Å; L35-S39 PolarHBondContact O-N 3.33Å; L35-S39 PolarHBondContact O-OG 2.84Å; L36-S39 VanDerWaalsContact CA-OG 3.23Å; L36-S39 WeakPolarHBondContact CA-OG 3.41Å; L36-S39 PolarHBondContact O-N 3.01Å; L36-S39 PolarHBondContact O-OG 3.31Å; L36-S39 VanDerWaalsContact O-OG 3.04Å
40	W	43.7	Very low	63	Low	220 Å²	220	104.5 Å²	104.5	83%	0.833	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	7.1	166.1	-76.7	53.7	0	0	0	112.7	L36 L37 V38 S42	L36-W40 PolarHBondContact O-N 3.04Å; L37-W40 CarbonylContact O-C 3.4Å; L37-W40 PolarHBondContact O-N 3.33Å; V38-W40 VanDerWaalsContact C-N 3.3Å; W40-S42 PolarHBondContact O-N 3.32Å; W40-S42 VanDerWaalsContact O-N 3.1Å
41	A	41.2	Very low	64.3	Low	61 Å²	61	100.1 Å²	100.1	50%	0.504	54%	0.537	S	S	.	.	S	Bend	trans	-61.8	115.7	157.6	0	0	0	0	0	105.7	L37 V38 R43	L37-A41 PolarHBondContact O-N 3.01Å; L37-A41 VanDerWaalsContact O-N 3.1Å; V38-A41 VanDerWaalsContact O-CB 3.28Å; V38-A41 WeakPolarHBondContact O-CB 3.28Å; V38-A41 PolarHBondContact O-N 3.1Å; A41-R43 PolarHBondContact O-N 3Å
42	S	43.5	Very low	65.5	Low	114 Å²	114	97.3 Å²	97.3	80%	0.797	52%	0.522	S	S	*	.			trans	-29.5	94.5	178.3	43.8	0	0	0	0	111.6	W40 G44	W40-S42 PolarHBondContact O-N 3.32Å; W40-S42 VanDerWaalsContact O-N 3.1Å; S42-G44 VanDerWaalsContact C-N 3.3Å; S42-G44 PolarHBondContact O-N 2.76Å
43	R	46.1	Very low	67	Low	222 Å²	222	93.7 Å²	93.7	84%	0.838	50%	0.502	S	S	*	.			trans	-58.7	108.8	153.5	-73.8	-175.7	178.4	-167.9	-1.9	102.5	A41 E45	A41-R43 PolarHBondContact O-N 3Å; R43-E45 PolarHBondContact O-N 3.05Å; R43-E45 VanDerWaalsContact O-N 3.16Å
44	G	44.2	Very low	68.4	Low	52 Å²	52	95.5 Å²	95.5	54%	0.536	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-48.2	128.8	169.4	0	0	0	0	0	106.2	S42 A46	S42-G44 VanDerWaalsContact C-N 3.3Å; S42-G44 PolarHBondContact O-N 2.76Å; G44-A46 PolarHBondContact O-N 3.16Å
45	E	49.8	Very low	69.8	Low	179 Å²	179	100.2 Å²	100.2	84%	0.836	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-48.4	123.1	165.3	-82.5	172.4	148.8	0	0	105.8	R43	R43-E45 PolarHBondContact O-N 3.05Å; R43-E45 VanDerWaalsContact O-N 3.16Å
46	A	71.9	Confident	71.5	Confident	71 Å²	71	95.1 Å²	95.1	59%	0.587	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-60.1	170.3	168.4	0	0	0	0	0	108.5	G44	G44-A46 PolarHBondContact O-N 3.16Å
47	A	82.4	Confident	73.4	Confident	4 Å²	4	92.7 Å²	92.7	3%	0.033	48%	0.483	C	S	.	.	S	Bend	trans	-17.6	132.3	177.6	0	0	0	0	0	115.7	D49 Y68 F182 E184	A47-D49 PolarHBondContact O-N 3.19Å; A47-Y68 HydrophobicContact CB-CE1 3.75Å; A47-Y68 HydrophobicContact CB-CE2 4.36Å; A47-Y68 WeakPolarHBondContact CB-OH 3.34Å; A47-F182 HydrophobicContact CB-CD1 3.53Å; A47-F182 HydrophobicContact CB-CE1 3.53Å; A47-E184 WeakPolarHBondContact CB-OE1 3.38Å; A47-E184 PolarHBondContact N-OE1 3.03Å
48	P	91.5	Very high	75.5	Confident	16 Å²	16	88.6 Å²	88.6	10%	0.104	47%	0.468	C	S	.	.			trans	-60.9	103.4	-175.1	25.8	-35.6	0	0	0	111.7	Q50 D51 L181 F182	P48-Q50 HydrophobicContact CB-CG 4.2Å; P48-Q50 PolarHBondContact O-N 3.17Å; P48-D51 HydrophobicContact CB-CB 4.28Å; P48-D51 HydrophobicContact CG-CB 3.98Å; P48-D51 WeakPolarHBondContact CG-OD2 3.39Å; P48-D51 PolarHBondContact O-N 3.3Å; P48-L181 WeakPolarHBondContact CD-O 3.39Å; P48-L181 HydrophobicContact CG-CB 4.22Å; P48-F182 HydrophobicContact CG-CE1 4.42Å; P48-F182 HydrophobicContact CG-CE2 4Å; P48-F182 HydrophobicContact CG-CZ 3.83Å
49	D	92.4	Very high	77.6	Confident	131 Å²	131	84.7 Å²	84.7	70%	0.701	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-52.8	-32.6	178.8	-69.9	-21.8	0	0	0	112.5	A47 D51 E52	A47-D49 PolarHBondContact O-N 3.19Å; D49-D51 VanDerWaalsContact C-N 3.25Å; D49-D51 PolarHBondContact O-N 3.07Å; D49-E52 WeakPolarHBondContact O-CB 3.26Å; D49-E52 PolarHBondContact O-N 2.89Å
50	Q	95.1	Very high	79.9	Confident	150 Å²	150	86.8 Å²	86.8	70%	0.701	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-66.2	-24.5	178.3	65	-177.9	4.5	0	0	113.8	P48 N369	P48-Q50 HydrophobicContact CB-CG 4.2Å; P48-Q50 PolarHBondContact O-N 3.17Å; Q50-N369 PolarHBondContact O-ND2 2.99Å
51	D	98.2	Very high	82.5	Confident	19 Å²	19	84 Å²	84	10%	0.102	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-93.4	-5.4	179.9	-64.1	-18.9	0	0	0	111.3	P48 D49 I53 Y68 S69 Y82 N369	P48-D51 HydrophobicContact CB-CB 4.28Å; P48-D51 HydrophobicContact CG-CB 3.98Å; P48-D51 WeakPolarHBondContact CG-OD2 3.39Å; P48-D51 PolarHBondContact O-N 3.3Å; D49-D51 VanDerWaalsContact C-N 3.25Å; D49-D51 PolarHBondContact O-N 3.07Å; D51-I53 PolarHBondContact O-N 2.92Å; D51-Y68 CarbonylContact O-C 3.59Å; D51-Y68 WeakPolarHBondContact O-CA 3.46Å; D51-S69 PolarHBondContact O-N 3.27Å; D51-Y82 WeakPolarHBondContact CB-OH 3.46Å; D51-Y82 PolarHBondContact OD2-OH 3.11Å; D51-N369 WeakPolarHBondContact CA-ND2 3.26Å; D51-N369 PolarHBondContact O-ND2 3.09Å; D51-N369 VanDerWaalsContact O-ND2 3.16Å
52	E	98.4	Very high	84.9	Confident	48 Å²	48	85.4 Å²	85.4	22%	0.224	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-67.3	130	-177.4	-166.1	178.5	-155	0	0	112	D49 Q54 R66 Y68	D49-E52 WeakPolarHBondContact O-CB 3.26Å; D49-E52 PolarHBondContact O-N 2.89Å; E52-Q54 PolarHBondContact O-N 2.59Å; E52-Q54 VanDerWaalsContact O-N 3.14Å; E52-Q54 PolarHBondContact OE2-NE2 2.96Å; E52-R66 WeakPolarHBondContact OE1-CG 3.29Å; E52-Y68 HydrophobicContact CB-CD1 3.83Å; E52-Y68 HydrophobicContact CB-CE1 3.8Å; E52-Y68 HydrophobicContact CG-CD1 4.25Å; E52-Y68 HydrophobicContact CG-CE1 3.99Å
53	I	98.5	Very high	87.5	Confident	9 Å²	9	81.2 Å²	81.2	5%	0.046	42%	0.424	C	S	.	.			trans	-82	95.6	175.5	-54.7	164.3	0	0	0	108.6	D51 L56 Q67 W83 L368	D51-I53 PolarHBondContact O-N 2.92Å; I53-L56 HydrophobicContact CG2-CB 3.99Å; I53-L56 HydrophobicContact CG2-CD1 4.07Å; I53-Q67 HydrophobicContact CB-CG 4.09Å; I53-Q67 HydrophobicContact CD1-CB 4.26Å; I53-Q67 HydrophobicContact CD1-CG 4.05Å; I53-Q67 PolarHBondContact N-O 3.4Å; I53-W83 HydrophobicContact CD1-CD2 4.26Å; I53-W83 VanDerWaalsContact CD1-CE2 3.49Å; I53-W83 HydrophobicContact CD1-CG 4.43Å; I53-W83 HydrophobicContact CD1-CZ2 3.86Å; I53-L368 HydrophobicContact CD1-CD2 3.55Å; I53-L368 HydrophobicContact CG1-CD2 4.1Å
54	Q	95.6	Very high	89.9	Confident	132 Å²	132	75.8 Å²	75.8	62%	0.617	42%	0.421	S	S	*	.	S	Bend	trans	-66.6	-43.9	-176.8	-65.2	-62.7	-29.3	0	0	113.6	E52	E52-Q54 PolarHBondContact O-N 2.59Å; E52-Q54 VanDerWaalsContact O-N 3.14Å; E52-Q54 PolarHBondContact OE2-NE2 2.96Å
55	R	96.8	Very high	92.5	Very high	196 Å²	196	74.1 Å²	74.1	74%	0.74	40%	0.398	S	S	*	.			trans	-147.2	109.7	-179.6	-67.9	-173.6	-178	-170.4	0.3	110	A367	R55-A367 WeakPolarHBondContact O-CB 3.29Å
56	L	98.4	Very high	94.8	Very high	3 Å²	3	71 Å²	71	2%	0.016	38%	0.379	C	S	.	.			trans	-87.9	123.4	177.3	-169.3	67.6	0	0	0	110.3	I53 L59 W83 F119 L128 Y358 L368	I53-L56 HydrophobicContact CG2-CB 3.99Å; I53-L56 HydrophobicContact CG2-CD1 4.07Å; L56-L59 HydrophobicContact CB-CD1 4.13Å; L56-L59 HydrophobicContact CD2-CD1 4.03Å; L56-W83 HydrophobicContact CD1-CH2 3.86Å; L56-W83 HydrophobicContact CD1-CZ2 3.96Å; L56-W83 HydrophobicContact CD2-CH2 3.87Å; L56-W83 HydrophobicContact CD2-CZ2 3.65Å; L56-W83 HydrophobicContact CG-CZ2 4.48Å; L56-F119 HydrophobicContact CD2-CD2 4.25Å; L56-F119 HydrophobicContact CD2-CE1 4.03Å; L56-F119 HydrophobicContact CD2-CE2 3.49Å; L56-F119 VanDerWaalsContact CD2-CE2 3.49Å; L56-F119 HydrophobicContact CD2-CZ 3.38Å; L56-L128 HydrophobicContact CD2-CD1 3.54Å; L56-L128 HydrophobicContact CG-CD1 4.11Å; L56-Y358 WeakPolarHBondContact CD1-OH 3.33Å; L56-Y358 VanDerWaalsContact CG-OH 3.24Å; L56-Y358 WeakPolarHBondContact CG-OH 2.86Å; L56-L368 HydrophobicContact CD1-CD2 3.99Å; L56-L368 HydrophobicContact CD1-CG 4.48Å
57	P	98.4	Very high	96.1	Very high	41 Å²	41	67.8 Å²	67.8	27%	0.266	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	156.9	173.9	-24.5	35.3	0	0	0	112.4	L59 Y358 V364	P57-L59 PolarHBondContact O-N 2.85Å; P57-Y358 PolarHBondContact O-OH 3.13Å; P57-V364 HydrophobicContact CB-CG2 3.85Å; P57-V364 HydrophobicContact CG-CG2 3.84Å
58	G	98.3	Very high	96.9	Very high	28 Å²	28	68 Å²	68	29%	0.289	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-17.9	177.2	0	0	0	0	0	115.7	V126 L128	G58-V126 WeakPolarHBondContact CA-O 3.48Å; G58-L128 PolarHBondContact O-N 3.16Å
59	L	98	Very high	97.2	Very high	20 Å²	20	67.2 Å²	67.2	11%	0.105	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-83.3	123.6	172.8	-75.3	176.8	0	0	0	111.8	L56 P57 K61 P63 F119 L128 Y130	L56-L59 HydrophobicContact CB-CD1 4.13Å; L56-L59 HydrophobicContact CD2-CD1 4.03Å; P57-L59 PolarHBondContact O-N 2.85Å; L59-K61 VanDerWaalsContact C-N 3.27Å; L59-K61 PolarHBondContact O-N 3.37Å; L59-P63 HydrophobicContact CD1-CG 3.81Å; L59-F119 HydrophobicContact CD1-CD1 4.09Å; L59-F119 HydrophobicContact CD1-CE1 4.21Å; L59-F119 HydrophobicContact CD2-CB 4.05Å; L59-F119 HydrophobicContact CD2-CD1 4.12Å; L59-F119 HydrophobicContact CD2-CG 4.16Å; L59-L128 HydrophobicContact CD2-CB 3.72Å; L59-L128 HydrophobicContact CD2-CD1 4.42Å; L59-L128 HydrophobicContact CG-CB 4.09Å; L59-L128 HydrophobicContact CG-CD1 4.11Å; L59-Y130 HydrophobicContact CD2-CD2 4.38Å; L59-Y130 HydrophobicContact CD2-CE2 3.91Å
60	A	96.4	Very high	97.5	Very high	106 Å²	106	61 Å²	61	88%	0.876	31%	0.314	S	S	*	.	S	Bend	trans	-68.6	-26.2	172.7	0	0	0	0	0	113.1
61	K	96.5	Very high	97.7	Very high	162 Å²	162	55.7 Å²	55.7	70%	0.704	29%	0.288	S	S	*	.	S	Bend	trans	-136.6	131.7	177.3	-65.7	179.9	-176.7	174.8	0	109.7	L59 Y130	L59-K61 VanDerWaalsContact C-N 3.27Å; L59-K61 PolarHBondContact O-N 3.37Å; K61-Y130 PolarHBondContact O-OH 3.06Å
62	Q	92.6	Very high	97.7	Very high	90 Å²	90	54.8 Å²	54.8	42%	0.421	28%	0.283	S	S	.	.			trans	-65.4	147.5	179	-67.9	-61.5	-21.4	0	0	111.5	Y130	Q62-Y130 PolarHBondContact O-OH 2.88Å
63	P	97.4	Very high	97.7	Very high	26 Å²	26	57.9 Å²	57.9	17%	0.169	30%	0.296	C	S	.	.			trans	-59.3	147.5	-179.6	-25.7	37	0	0	0	113.6	L59 F65 Y130	L59-P63 HydrophobicContact CD1-CG 3.81Å; P63-F65 VanDerWaalsContact C-N 3.28Å; P63-F65 HydrophobicContact CB-CD1 4.12Å; P63-F65 HydrophobicContact CB-CD2 4.42Å; P63-F65 HydrophobicContact CB-CE1 3.87Å; P63-F65 HydrophobicContact CB-CE2 4.15Å; P63-F65 HydrophobicContact CB-CG 4.38Å; P63-F65 HydrophobicContact CB-CZ 3.84Å; P63-F65 WeakPolarHBondContact CB-O 3.4Å; P63-F65 HydrophobicContact CG-CZ 4.41Å; P63-Y130 WeakPolarHBondContact CA-OH 3.39Å
64	S	97.1	Very high	97.7	Very high	109 Å²	109	57.5 Å²	57.5	76%	0.762	29%	0.294	S	S	*	.	S	Bend	trans	-86.5	1	171.4	59.8	0	0	0	0	113.4
65	F	98.5	Very high	97.8	Very high	16 Å²	16	52 Å²	52	7%	0.07	27%	0.27	C	S	.	.	S	Bend	trans	-125.9	152	178.9	56.6	-89	0	0	0	108.7	P63 V85 Q88 P118 F119 Y130 N136	P63-F65 VanDerWaalsContact C-N 3.28Å; P63-F65 HydrophobicContact CB-CD1 4.12Å; P63-F65 HydrophobicContact CB-CD2 4.42Å; P63-F65 HydrophobicContact CB-CE1 3.87Å; P63-F65 HydrophobicContact CB-CE2 4.15Å; P63-F65 HydrophobicContact CB-CG 4.38Å; P63-F65 HydrophobicContact CB-CZ 3.84Å; P63-F65 WeakPolarHBondContact CB-O 3.4Å; P63-F65 HydrophobicContact CG-CZ 4.41Å; F65-V85 HydrophobicContact CE2-CB 4.12Å; F65-V85 HydrophobicContact CE2-CG1 4.36Å; F65-Q88 HydrophobicContact CD1-CB 4.4Å; F65-Q88 HydrophobicContact CD1-CG 3.56Å; F65-Q88 HydrophobicContact CE1-CG 3.92Å; F65-Q88 HydrophobicContact CG-CG 4.17Å; F65-P118 HydrophobicContact CE1-CB 4.11Å; F65-P118 HydrophobicContact CE2-CB 4.13Å; F65-P118 HydrophobicContact CE2-CG 4.07Å; F65-P118 HydrophobicContact CZ-CB 3.37Å; F65-P118 HydrophobicContact CZ-CG 3.77Å; F65-F119 HydrophobicContact CZ-CE1 4.44Å; F65-Y130 HydrophobicContact CE1-CE1 4.38Å; F65-N136 WeakPolarHBondContact CE2-ND2 3.46Å
66	R	98.6	Very high	97.8	Very high	113 Å²	113	45.8 Å²	45.8	43%	0.426	27%	0.268	S	S	.	.			trans	-77.3	152.7	176.9	-66.8	-180	-63.7	-107.9	-8	110.9	E52 Y68 E86	E52-R66 WeakPolarHBondContact OE1-CG 3.29Å; R66-Y68 HydrophobicContact CB-CE2 3.87Å; R66-Y68 WeakPolarHBondContact CD-OH 3.38Å; R66-Y68 PolarHBondContact NE-OH 3.09Å; R66-E86 HydrophobicContact CB-CG 4.28Å; R66-E86 IonicContact CZ-OE1 3.4Å; R66-E86 IonicContact CZ-OE2 3.44Å; R66-E86 IonicContact NE-OE1 2.83Å; R66-E86 PolarHBondContact NE-OE1 3.06Å; R66-E86 IonicContact NE-OE2 3.37Å; R66-E86 PolarHBondContact NE-OE2 3.27Å; R66-E86 IonicContact NH2-OE1 3.09Å; R66-E86 PolarHBondContact NH2-OE1 2.87Å; R66-E86 VanDerWaalsContact NH2-OE1 3.09Å; R66-E86 IonicContact NH2-OE2 2.83Å; R66-E86 PolarHBondContact NH2-OE2 3.49Å; R66-E86 WeakPolarHBondContact O-CB 3.29Å; R66-E86 PolarHBondContact O-N 3.47Å
67	Q	98.8	Very high	97.8	Very high	4 Å²	4	47 Å²	47	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146	176.9	48.4	163.9	-2.1	0	0	109.8	I53 F84 V85	I53-Q67 HydrophobicContact CB-CG 4.09Å; I53-Q67 HydrophobicContact CD1-CB 4.26Å; I53-Q67 HydrophobicContact CD1-CG 4.05Å; I53-Q67 PolarHBondContact N-O 3.4Å; Q67-F84 CarbonylContact C-O 3.52Å; Q67-F84 WeakPolarHBondContact CA-O 3.33Å; Q67-F84 WeakPolarHBondContact CB-O 3.47Å; Q67-V85 HydrophobicContact CB-CG1 3.91Å
68	Y	98.9	Very high	97.9	Very high	8 Å²	8	46.3 Å²	46.3	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.7	-171.5	-54.9	-100.2	0	0	0	109.4	A47 D51 E52 R66 W83 F84 E86 F182	A47-Y68 HydrophobicContact CB-CE1 3.75Å; A47-Y68 HydrophobicContact CB-CE2 4.36Å; A47-Y68 WeakPolarHBondContact CB-OH 3.34Å; D51-Y68 CarbonylContact O-C 3.59Å; D51-Y68 WeakPolarHBondContact O-CA 3.46Å; E52-Y68 HydrophobicContact CB-CD1 3.83Å; E52-Y68 HydrophobicContact CB-CE1 3.8Å; E52-Y68 HydrophobicContact CG-CD1 4.25Å; E52-Y68 HydrophobicContact CG-CE1 3.99Å; R66-Y68 HydrophobicContact CB-CE2 3.87Å; R66-Y68 WeakPolarHBondContact CD-OH 3.38Å; R66-Y68 PolarHBondContact NE-OH 3.09Å; Y68-W83 CarbonylContact O-C 3.46Å; Y68-W83 WeakPolarHBondContact O-CA 3.48Å; Y68-F84 AromaticContact CD2-CD1 3.88Å; Y68-F84 HydrophobicContact CD2-CD1 3.88Å; Y68-F84 HydrophobicContact CE2-CD1 4.46Å; Y68-F84 PolarHBondContact N-O 2.83Å; Y68-F84 PolarHBondContact O-N 2.82Å; Y68-E86 HydrophobicContact CE2-CG 4.38Å; Y68-E86 PolarHBondContact OH-OE1 3.37Å; Y68-F182 HydrophobicContact CD1-CE1 4.15Å; Y68-F182 HydrophobicContact CD1-CZ 4.23Å; Y68-F182 AromaticContact CD2-CE1 3.79Å; Y68-F182 HydrophobicContact CD2-CE1 3.79Å; Y68-F182 HydrophobicContact CD2-CZ 4.13Å; Y68-F182 HydrophobicContact CE1-CE1 4.33Å; Y68-F182 AromaticContact CE2-CE1 3.97Å; Y68-F182 HydrophobicContact CE2-CE1 3.97Å; Y68-F182 AromaticContact CG-CE1 3.88Å; Y68-F182 HydrophobicContact CG-CE1 3.88Å; Y68-F182 AromaticContact CG-CZ 3.86Å; Y68-F182 HydrophobicContact CG-CZ 3.86Å
69	S	98.9	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.8	171.5	-167.7	0	0	0	0	110.3	D51 H81 Y82 L368 N369	D51-S69 PolarHBondContact O-N 3.27Å; S69-H81 PolarHBondContact OG-CE1 2.91Å; S69-H81 PolarHBondContact OG-NE2 3.47Å; S69-Y82 VanDerWaalsContact CA-O 3.25Å; S69-Y82 WeakPolarHBondContact CA-O 3.47Å; S69-Y82 PolarHBondContact OG-O 3.37Å; S69-L368 WeakPolarHBondContact CB-O 3.38Å; S69-L368 PolarHBondContact OG-O 2.66Å; S69-N369 PolarHBondContact O-ND2 3.36Å
70	G	98.7	Very high	97.9	Very high	2 Å²	2	46 Å²	46	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	-152.4	-172.7	0	0	0	0	0	110.6	H81 Y82	G70-H81 WeakPolarHBondContact O-CA 3.36Å; G70-H81 PolarHBondContact O-CD2 3.32Å; G70-Y82 PolarHBondContact N-O 2.83Å; G70-Y82 VanDerWaalsContact O-CD1 3.29Å; G70-Y82 WeakPolarHBondContact O-CD1 3.41Å; G70-Y82 PolarHBondContact O-N 2.98Å
71	Y	98.9	Very high	98	Very high	38 Å²	38	41 Å²	41	15%	0.149	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.6	-175.6	-70.4	-90.9	0	0	0	112.4	H79 L80 H81 F152 Y154 P371 L374	Y71-H79 HydrophobicContact CD1-CB 3.83Å; Y71-H79 HydrophobicContact CG-CB 4.42Å; Y71-L80 CarbonylContact C-O 3.45Å; Y71-L80 WeakPolarHBondContact CA-O 3.43Å; Y71-H81 HydrophobicContact CD1-CB 4.27Å; Y71-H81 HydrophobicContact CE1-CB 3.79Å; Y71-F152 VanDerWaalsContact CE1-O 3.25Å; Y71-F152 WeakPolarHBondContact CE1-O 3.02Å; Y71-F152 PolarHBondContact OH-O 2.82Å; Y71-Y154 HydrophobicContact CD1-CD1 4.24Å; Y71-Y154 AromaticContact CD1-CE1 3.82Å; Y71-Y154 HydrophobicContact CD1-CE1 3.82Å; Y71-Y154 AromaticContact CE1-CD1 3.69Å; Y71-Y154 HydrophobicContact CE1-CD1 3.69Å; Y71-Y154 AromaticContact CE1-CE1 3.53Å; Y71-Y154 HydrophobicContact CE1-CE1 3.53Å; Y71-Y154 HydrophobicContact CG-CE1 4.48Å; Y71-P371 VanDerWaalsContact CE2-CD 3.48Å; Y71-P371 HydrophobicContact CE2-CG 4.08Å; Y71-P371 WeakPolarHBondContact OH-CD 3.46Å; Y71-L374 HydrophobicContact CE1-CD1 4.45Å; Y71-L374 WeakPolarHBondContact OH-CD1 3.21Å
72	L	98.9	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.9	169.1	-56.5	178.5	0	0	0	109.4	G74 L80 Y82 L142 L144 A174 D177 F178 L181	L72-G74 PolarHBondContact O-N 3.29Å; L72-L80 PolarHBondContact N-O 3.36Å; L72-L80 PolarHBondContact O-N 3.38Å; L72-Y82 HydrophobicContact CD1-CD1 4.36Å; L72-Y82 HydrophobicContact CD1-CG 4.34Å; L72-Y82 HydrophobicContact CD2-CD1 3.85Å; L72-Y82 HydrophobicContact CD2-CE1 3.97Å; L72-Y82 HydrophobicContact CD2-CG 4.48Å; L72-Y82 HydrophobicContact CG-CD1 3.64Å; L72-Y82 HydrophobicContact CG-CE1 4.27Å; L72-Y82 HydrophobicContact CG-CG 4.11Å; L72-L142 HydrophobicContact CD1-CD2 4.43Å; L72-L144 HydrophobicContact CD1-CD1 3.87Å; L72-A174 HydrophobicContact CB-CB 3.77Å; L72-A174 HydrophobicContact CD1-CB 4.32Å; L72-A174 WeakPolarHBondContact CD1-O 3.49Å; L72-D177 HydrophobicContact CB-CB 4.46Å; L72-D177 HydrophobicContact CD2-CB 4.48Å; L72-F178 HydrophobicContact CD1-CB 3.82Å; L72-F178 HydrophobicContact CD2-CB 3.98Å; L72-L181 HydrophobicContact CD2-CD1 3.72Å
73	K	98.6	Very high	98.5	Very high	112 Å²	112	29 Å²	29	49%	0.487	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	114.8	177	-172.7	170.4	-177.4	174.6	0	110.4	E173 A174 D177	K73-E173 CarbonylContact O-C 3.45Å; K73-A174 WeakPolarHBondContact O-CA 3.36Å; K73-A174 PolarHBondContact O-N 2.81Å; K73-D177 VanDerWaalsContact CB-OD2 3.22Å; K73-D177 WeakPolarHBondContact CB-OD2 3.37Å; K73-D177 PolarHBondContact N-OD2 3.43Å
74	G	98.2	Very high	98.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	16%	0.156	C	C	.	.			trans	-87.2	-163.5	167.8	0	0	0	0	0	112.1	L72 K78 S170	L72-G74 PolarHBondContact O-N 3.29Å; G74-K78 PolarHBondContact N-O 3.43Å; G74-S170 WeakPolarHBondContact CA-OG 3.47Å
75	S	97.4	Very high	98.6	Very high	17 Å²	17	22.6 Å²	22.6	12%	0.119	12%	0.12	C	C	.	.	S	Bend	trans	-73	137.3	-177.5	66	0	0	0	0	113.3	S77 K78 S170 E173	S75-S77 PolarHBondContact O-N 3.11Å; S75-K78 WeakPolarHBondContact O-CB 3.42Å; S75-K78 VanDerWaalsContact O-CD 3.3Å; S75-K78 WeakPolarHBondContact O-CD 3.4Å; S75-K78 WeakPolarHBondContact O-CG 3.22Å; S75-K78 PolarHBondContact O-N 2.8Å; S75-K78 PolarHBondContact O-NZ 3.08Å; S75-K78 VanDerWaalsContact O-NZ 3.09Å; S75-K78 PolarHBondContact OG-NZ 3.29Å; S75-S170 PolarHBondContact N-OG 2.81Å; S75-E173 WeakPolarHBondContact CA-OE2 3.45Å; S75-E173 WeakPolarHBondContact CB-OE2 3.49Å
76	G	97.4	Very high	98.6	Very high	66 Å²	66	22 Å²	22	68%	0.68	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	-122.3	-179.2	0	0	0	0	0	112.6
77	S	98.1	Very high	98.7	Very high	27 Å²	27	16.7 Å²	16.7	19%	0.189	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14.8	-179.6	55	0	0	0	0	113.3	S75 H79 S155 D156 D157	S75-S77 PolarHBondContact O-N 3.11Å; S77-H79 PolarHBondContact O-CD2 3.09Å; S77-H79 VanDerWaalsContact O-CD2 3.23Å; S77-S155 WeakPolarHBondContact O-CA 3.5Å; S77-S155 WeakPolarHBondContact O-CB 3.17Å; S77-D156 PolarHBondContact O-N 2.89Å; S77-D156 VanDerWaalsContact O-N 3.16Å; S77-D157 PolarHBondContact OG-OD2 2.99Å
78	K	98.8	Very high	98.7	Very high	28 Å²	28	19.4 Å²	19.4	12%	0.122	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133	-173.4	-63.8	176.7	-169.9	79.8	0	111.5	G74 S75 A148 E166	G74-K78 PolarHBondContact N-O 3.43Å; S75-K78 WeakPolarHBondContact O-CB 3.42Å; S75-K78 VanDerWaalsContact O-CD 3.3Å; S75-K78 WeakPolarHBondContact O-CD 3.4Å; S75-K78 WeakPolarHBondContact O-CG 3.22Å; S75-K78 PolarHBondContact O-N 2.8Å; S75-K78 PolarHBondContact O-NZ 3.08Å; S75-K78 VanDerWaalsContact O-NZ 3.09Å; S75-K78 PolarHBondContact OG-NZ 3.29Å; K78-A148 HydrophobicContact CB-CB 4.06Å; K78-A148 HydrophobicContact CD-CB 4.15Å; K78-A148 HydrophobicContact CG-CB 3.8Å; K78-E166 VanDerWaalsContact CE-OE1 3.31Å; K78-E166 WeakPolarHBondContact CE-OE1 3.38Å; K78-E166 IonicContact NZ-OE1 3.75Å; K78-E166 PolarHBondContact NZ-OE1 3.38Å
79	H	98.9	Very high	98.6	Very high	42 Å²	42	26.8 Å²	26.8	19%	0.194	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110	175.1	-62.1	-83.3	0	0	0	108.5	Y71 S77 S153 Y154 D156	Y71-H79 HydrophobicContact CD1-CB 3.83Å; Y71-H79 HydrophobicContact CG-CB 4.42Å; S77-H79 PolarHBondContact O-CD2 3.09Å; S77-H79 VanDerWaalsContact O-CD2 3.23Å; H79-S153 WeakPolarHBondContact O-CA 3.38Å; H79-Y154 HydrophobicContact CB-CD1 3.96Å; H79-Y154 HydrophobicContact CB-CE1 3.59Å; H79-Y154 HydrophobicContact CB-CE2 4.26Å; H79-Y154 HydrophobicContact CB-CG 4.45Å; H79-Y154 AromaticContact CD2-CE2 3.66Å; H79-Y154 AromaticContact CD2-CZ 3.79Å; H79-Y154 AromaticContact CG-CZ 3.8Å; H79-Y154 PolarHBondContact N-O 3.26Å; H79-Y154 PolarHBondContact O-N 3.16Å; H79-D156 IonicContact NE2-OD1 3.75Å; H79-D156 IonicContact NE2-OD2 2.83Å
80	L	98.9	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.7	-177.6	-55	-171.1	0	0	0	109.6	Y71 L72 Y82 L144 A148 S153 A174	Y71-L80 CarbonylContact C-O 3.45Å; Y71-L80 WeakPolarHBondContact CA-O 3.43Å; L72-L80 PolarHBondContact N-O 3.36Å; L72-L80 PolarHBondContact O-N 3.38Å; L80-Y82 PolarHBondContact O-N 3.13Å; L80-L144 HydrophobicContact CB-CD1 3.75Å; L80-L144 HydrophobicContact CB-CG 4.47Å; L80-L144 HydrophobicContact CD1-CD2 4.27Å; L80-A148 HydrophobicContact CD2-CB 4.16Å; L80-S153 WeakPolarHBondContact CA-OG 3.35Å; L80-A174 HydrophobicContact CD1-CB 3.83Å
81	H	98.9	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.3	174.3	175.9	-97.6	0	0	0	109.9	S69 G70 Y71 E145 F152 S153 I370	S69-H81 PolarHBondContact OG-CE1 2.91Å; S69-H81 PolarHBondContact OG-NE2 3.47Å; G70-H81 WeakPolarHBondContact O-CA 3.36Å; G70-H81 PolarHBondContact O-CD2 3.32Å; Y71-H81 HydrophobicContact CD1-CB 4.27Å; Y71-H81 HydrophobicContact CE1-CB 3.79Å; H81-E145 HydrophobicContact CB-CB 4.32Å; H81-E145 HydrophobicContact CB-CG 4.48Å; H81-E145 IonicContact CG-OE2 3.73Å; H81-E145 IonicContact ND1-OE2 3.86Å; H81-E145 PolarHBondContact ND1-OE2 3.19Å; H81-E145 VanDerWaalsContact ND1-OE2 3.12Å; H81-E145 PolarHBondContact O-N 2.77Å; H81-F152 HydrophobicContact CB-CB 3.83Å; H81-S153 PolarHBondContact N-OG 2.56Å; H81-I370 VanDerWaalsContact CD2-CD1 3.4Å; H81-I370 WeakPolarHBondContact CD2-CD1 3.27Å; H81-I370 VanDerWaalsContact NE2-CD1 3.32Å; H81-I370 WeakPolarHBondContact NE2-CD1 3.34Å
82	Y	98.9	Very high	98.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.5	173	80.7	-85.5	0	0	0	111.2	D51 S69 G70 L72 L80 F84 L142 Y143 F182	D51-Y82 WeakPolarHBondContact CB-OH 3.46Å; D51-Y82 PolarHBondContact OD2-OH 3.11Å; S69-Y82 VanDerWaalsContact CA-O 3.25Å; S69-Y82 WeakPolarHBondContact CA-O 3.47Å; S69-Y82 PolarHBondContact OG-O 3.37Å; G70-Y82 PolarHBondContact N-O 2.83Å; G70-Y82 VanDerWaalsContact O-CD1 3.29Å; G70-Y82 WeakPolarHBondContact O-CD1 3.41Å; G70-Y82 PolarHBondContact O-N 2.98Å; L72-Y82 HydrophobicContact CD1-CD1 4.36Å; L72-Y82 HydrophobicContact CD1-CG 4.34Å; L72-Y82 HydrophobicContact CD2-CD1 3.85Å; L72-Y82 HydrophobicContact CD2-CE1 3.97Å; L72-Y82 HydrophobicContact CD2-CG 4.48Å; L72-Y82 HydrophobicContact CG-CD1 3.64Å; L72-Y82 HydrophobicContact CG-CE1 4.27Å; L72-Y82 HydrophobicContact CG-CG 4.11Å; L80-Y82 PolarHBondContact O-N 3.13Å; Y82-F84 HydrophobicContact CD2-CB 3.75Å; Y82-F84 HydrophobicContact CE2-CB 3.72Å; Y82-L142 HydrophobicContact CD2-CD1 3.62Å; Y82-L142 HydrophobicContact CG-CD1 4.02Å; Y82-Y143 CarbonylContact C-O 3.57Å; Y82-Y143 WeakPolarHBondContact CA-O 3.49Å; Y82-F182 AromaticContact CE2-CE2 3.99Å; Y82-F182 HydrophobicContact CE2-CE2 3.99Å; Y82-F182 HydrophobicContact CE2-CZ 4.06Å; Y82-F182 AromaticContact CZ-CE2 3.9Å; Y82-F182 WeakPolarHBondContact OH-CE2 3.38Å; Y82-F182 WeakPolarHBondContact OH-CZ 3.24Å
83	W	98.9	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	109	163.4	-165.7	-23.1	0	0	0	108.3	I53 L56 Y68 L109 L112 F119 Y143 L359 L368	I53-W83 HydrophobicContact CD1-CD2 4.26Å; I53-W83 VanDerWaalsContact CD1-CE2 3.49Å; I53-W83 HydrophobicContact CD1-CG 4.43Å; I53-W83 HydrophobicContact CD1-CZ2 3.86Å; L56-W83 HydrophobicContact CD1-CH2 3.86Å; L56-W83 HydrophobicContact CD1-CZ2 3.96Å; L56-W83 HydrophobicContact CD2-CH2 3.87Å; L56-W83 HydrophobicContact CD2-CZ2 3.65Å; L56-W83 HydrophobicContact CG-CZ2 4.48Å; Y68-W83 CarbonylContact O-C 3.46Å; Y68-W83 WeakPolarHBondContact O-CA 3.48Å; W83-L109 HydrophobicContact CB-CD2 3.81Å; W83-L109 HydrophobicContact CD2-CD2 4.46Å; W83-L109 HydrophobicContact CE3-CD1 4.3Å; W83-L109 HydrophobicContact CE3-CD2 3.78Å; W83-L112 HydrophobicContact CB-CD1 3.94Å; W83-L112 HydrophobicContact CD2-CD1 3.46Å; W83-L112 VanDerWaalsContact CD2-CD1 3.46Å; W83-L112 HydrophobicContact CE3-CD1 3.79Å; W83-L112 HydrophobicContact CG-CD1 3.55Å; W83-L112 HydrophobicContact CH2-CD2 4.47Å; W83-L112 HydrophobicContact CZ3-CD1 4.43Å; W83-L112 HydrophobicContact CZ3-CD2 4.45Å; W83-F119 AromaticContact CH2-CE2 3.86Å; W83-F119 HydrophobicContact CH2-CE2 3.86Å; W83-F119 HydrophobicContact CH2-CZ 4.25Å; W83-F119 AromaticContact CZ2-CE2 3.66Å; W83-F119 HydrophobicContact CZ2-CE2 3.66Å; W83-F119 AromaticContact CZ2-CZ 3.57Å; W83-F119 HydrophobicContact CZ2-CZ 3.57Å; W83-Y143 PolarHBondContact N-O 3.21Å; W83-Y143 PolarHBondContact O-N 2.82Å; W83-L359 HydrophobicContact CZ3-CD2 4.32Å; W83-L368 HydrophobicContact CD2-CD2 3.9Å; W83-L368 HydrophobicContact CE3-CD1 4.04Å; W83-L368 HydrophobicContact CE3-CD2 3.74Å; W83-L368 HydrophobicContact CH2-CD1 4.18Å; W83-L368 HydrophobicContact CH2-CD2 3.57Å; W83-L368 HydrophobicContact CH2-CG 4.44Å; W83-L368 HydrophobicContact CZ2-CD2 3.66Å; W83-L368 HydrophobicContact CZ3-CD1 3.62Å; W83-L368 HydrophobicContact CZ3-CD2 3.6Å; W83-L368 HydrophobicContact CZ3-CG 4.25Å
84	F	98.9	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.1	179.8	-179.8	-120	0	0	0	109.8	Q67 Y68 Y82 E86 N140 V141 L142 F178 F182 Y185	Q67-F84 CarbonylContact C-O 3.52Å; Q67-F84 WeakPolarHBondContact CA-O 3.33Å; Q67-F84 WeakPolarHBondContact CB-O 3.47Å; Y68-F84 AromaticContact CD2-CD1 3.88Å; Y68-F84 HydrophobicContact CD2-CD1 3.88Å; Y68-F84 HydrophobicContact CE2-CD1 4.46Å; Y68-F84 PolarHBondContact N-O 2.83Å; Y68-F84 PolarHBondContact O-N 2.82Å; Y82-F84 HydrophobicContact CD2-CB 3.75Å; Y82-F84 HydrophobicContact CE2-CB 3.72Å; F84-E86 HydrophobicContact CE1-CG 3.98Å; F84-N140 HydrophobicContact CE2-CB 3.59Å; F84-N140 HydrophobicContact CZ-CB 3.53Å; F84-V141 WeakPolarHBondContact CA-O 3.19Å; F84-V141 WeakPolarHBondContact CD2-O 3.19Å; F84-L142 HydrophobicContact CB-CD1 3.98Å; F84-L142 HydrophobicContact CD2-CB 3.95Å; F84-L142 HydrophobicContact CD2-CD1 4.25Å; F84-F178 HydrophobicContact CB-CE2 4.5Å; F84-F178 HydrophobicContact CD1-CE2 4.27Å; F84-F178 AromaticContact CD2-CE2 3.9Å; F84-F178 HydrophobicContact CD2-CE2 3.9Å; F84-F178 AromaticContact CD2-CZ 3.99Å; F84-F178 HydrophobicContact CD2-CZ 3.99Å; F84-F178 HydrophobicContact CE1-CE2 4.47Å; F84-F178 HydrophobicContact CE1-CZ 4.34Å; F84-F178 HydrophobicContact CE2-CE2 4.08Å; F84-F178 AromaticContact CE2-CZ 3.68Å; F84-F178 HydrophobicContact CE2-CZ 3.68Å; F84-F178 AromaticContact CG-CE2 3.98Å; F84-F178 HydrophobicContact CG-CE2 3.98Å; F84-F178 HydrophobicContact CG-CZ 4.4Å; F84-F178 HydrophobicContact CZ-CE2 4.34Å; F84-F178 AromaticContact CZ-CZ 3.86Å; F84-F178 HydrophobicContact CZ-CZ 3.86Å; F84-F182 HydrophobicContact CD1-CD1 4.38Å; F84-F182 AromaticContact CD1-CE1 3.9Å; F84-F182 HydrophobicContact CD1-CE1 3.9Å; F84-F182 HydrophobicContact CD1-CZ 4.13Å; F84-F182 HydrophobicContact CE1-CD1 4.26Å; F84-F182 HydrophobicContact CE1-CE1 4.18Å; F84-Y185 HydrophobicContact CE1-CD2 4.05Å; F84-Y185 AromaticContact CE1-CE2 3.41Å; F84-Y185 HydrophobicContact CE1-CE2 3.41Å; F84-Y185 VanDerWaalsContact CE1-CE2 3.41Å; F84-Y185 AromaticContact CE1-CZ 3.98Å; F84-Y185 AromaticContact CZ-CD2 3.82Å; F84-Y185 HydrophobicContact CZ-CD2 3.82Å; F84-Y185 AromaticContact CZ-CE2 3.5Å; F84-Y185 HydrophobicContact CZ-CE2 3.5Å; F84-Y185 VanDerWaalsContact CZ-CE2 3.5Å; F84-Y185 AromaticContact CZ-CZ 3.9Å
85	V	98.9	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.4	177	-64.9	0	0	0	0	108.6	F65 Q67 P118 N136 N140 V141 Y143	F65-V85 HydrophobicContact CE2-CB 4.12Å; F65-V85 HydrophobicContact CE2-CG1 4.36Å; Q67-V85 HydrophobicContact CB-CG1 3.91Å; V85-P118 HydrophobicContact CB-CG 4.29Å; V85-P118 HydrophobicContact CG1-CG 3.95Å; V85-P118 HydrophobicContact CG2-CG 4.34Å; V85-N136 HydrophobicContact CB-CB 4.48Å; V85-N136 HydrophobicContact CG2-CB 3.72Å; V85-N140 CarbonylContact O-C 3.5Å; V85-N140 WeakPolarHBondContact O-CA 3.39Å; V85-V141 HydrophobicContact CG2-CB 3.97Å; V85-V141 WeakPolarHBondContact CG2-O 3.46Å; V85-V141 PolarHBondContact N-O 3.03Å; V85-V141 PolarHBondContact O-N 3.21Å; V85-Y143 HydrophobicContact CG2-CD2 4.43Å; V85-Y143 HydrophobicContact CG2-CE2 3.87Å
86	E	98.9	Very high	98.6	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.019	21%	0.208	C	C	.	.			trans	-63.8	156.1	178.3	-70.6	-170.9	-163.1	0	0	110.9	R66 Y68 F84 Q88 P91 N136 N140 Y185	R66-E86 HydrophobicContact CB-CG 4.28Å; R66-E86 IonicContact CZ-OE1 3.4Å; R66-E86 IonicContact CZ-OE2 3.44Å; R66-E86 IonicContact NE-OE1 2.83Å; R66-E86 PolarHBondContact NE-OE1 3.06Å; R66-E86 IonicContact NE-OE2 3.37Å; R66-E86 PolarHBondContact NE-OE2 3.27Å; R66-E86 IonicContact NH2-OE1 3.09Å; R66-E86 PolarHBondContact NH2-OE1 2.87Å; R66-E86 VanDerWaalsContact NH2-OE1 3.09Å; R66-E86 IonicContact NH2-OE2 2.83Å; R66-E86 PolarHBondContact NH2-OE2 3.49Å; R66-E86 WeakPolarHBondContact O-CB 3.29Å; R66-E86 PolarHBondContact O-N 3.47Å; Y68-E86 HydrophobicContact CE2-CG 4.38Å; Y68-E86 PolarHBondContact OH-OE1 3.37Å; F84-E86 HydrophobicContact CE1-CG 3.98Å; E86-Q88 PolarHBondContact O-N 3.19Å; E86-P91 HydrophobicContact CB-CB 3.91Å; E86-P91 HydrophobicContact CG-CB 4.4Å; E86-N136 PolarHBondContact O-ND2 2.9Å; E86-N140 WeakPolarHBondContact CA-OD1 3.38Å; E86-Y185 WeakPolarHBondContact CG-OH 3.46Å; E86-Y185 PolarHBondContact OE1-OH 3.21Å
87	S	98.9	Very high	98.7	Very high	1 Å²	1	35 Å²	35	1%	0.007	18%	0.176	C	C	.	.			trans	-58.3	135.1	172.4	-173.3	0	0	0	0	110.1	K89 S94 N136 A139 N140	S87-K89 PolarHBondContact O-N 3.42Å; S87-K89 PolarHBondContact OG-N 3.17Å; S87-K89 PolarHBondContact OG-O 3.14Å; S87-S94 VanDerWaalsContact CB-CB 3.48Å; S87-S94 VanDerWaalsContact CB-OG 3.3Å; S87-S94 WeakPolarHBondContact CB-OG 3.42Å; S87-S94 PolarHBondContact OG-OG 3.21Å; S87-N136 CarbonylContact C-O 3.56Å; S87-N136 VanDerWaalsContact CA-O 3.24Å; S87-N136 WeakPolarHBondContact CA-O 3.43Å; S87-A139 VanDerWaalsContact CA-O 3.28Å; S87-A139 WeakPolarHBondContact CA-O 3.25Å; S87-A139 PolarHBondContact N-O 2.97Å; S87-A139 PolarHBondContact OG-N 2.94Å; S87-N140 PolarHBondContact N-OD1 3.46Å
88	Q	98.8	Very high	98.8	Very high	62 Å²	62	33.9 Å²	33.9	29%	0.29	17%	0.168	S	C	.	.	S	Bend	trans	-67.6	-15.3	175.5	-53.9	-164	26.2	0	0	112.3	F65 E86 N136 L137	F65-Q88 HydrophobicContact CD1-CB 4.4Å; F65-Q88 HydrophobicContact CD1-CG 3.56Å; F65-Q88 HydrophobicContact CE1-CG 3.92Å; F65-Q88 HydrophobicContact CG-CG 4.17Å; E86-Q88 PolarHBondContact O-N 3.19Å; Q88-N136 WeakPolarHBondContact CG-ND2 3.47Å; Q88-N136 WeakPolarHBondContact CG-O 3.28Å; Q88-N136 PolarHBondContact N-O 3.29Å; Q88-N136 PolarHBondContact NE2-OD1 2.79Å; Q88-L137 HydrophobicContact CB-CD2 4.44Å; Q88-L137 HydrophobicContact CG-CD2 4.3Å
89	K	98.1	Very high	98.8	Very high	162 Å²	162	32.5 Å²	32.5	70%	0.704	16%	0.162	S	C	*	.	S	Bend	trans	-136.2	120.3	177.9	-173.4	179	179.9	-177.4	0	110.3	S87 S94	S87-K89 PolarHBondContact O-N 3.42Å; S87-K89 PolarHBondContact OG-N 3.17Å; S87-K89 PolarHBondContact OG-O 3.14Å; K89-S94 PolarHBondContact O-OG 3.16Å
90	D	98.2	Very high	98.8	Very high	86 Å²	86	30.6 Å²	30.6	46%	0.46	15%	0.153	S	C	.	.			trans	53	60.1	175.8	-170.7	12.3	0	0	0	113.1	E92 N93 S94	D90-E92 PolarHBondContact O-N 2.83Å; D90-N93 PolarHBondContact O-N 2.89Å; D90-N93 PolarHBondContact OD1-ND2 2.8Å; D90-N93 PolarHBondContact OD2-ND2 3.48Å; D90-S94 VanDerWaalsContact O-CB 3.29Å; D90-S94 WeakPolarHBondContact O-CB 3.3Å; D90-S94 PolarHBondContact O-N 2.77Å; D90-S94 PolarHBondContact O-OG 3.43Å
91	P	98.5	Very high	98.8	Very high	29 Å²	29	31 Å²	31	19%	0.188	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.4	-178.1	25.9	-34.8	0	0	0	113.1	E86 N93 S94 N140 Y185	E86-P91 HydrophobicContact CB-CB 3.91Å; E86-P91 HydrophobicContact CG-CB 4.4Å; P91-N93 VanDerWaalsContact C-N 3.26Å; P91-N93 PolarHBondContact O-N 2.88Å; P91-S94 PolarHBondContact O-N 3.01Å; P91-N140 WeakPolarHBondContact CA-OD1 3.47Å; P91-N140 VanDerWaalsContact CB-OD1 3.28Å; P91-N140 WeakPolarHBondContact CB-OD1 3.48Å; P91-N140 PolarHBondContact O-ND2 3.27Å; P91-N140 PolarHBondContact O-OD1 2.82Å; P91-Y185 WeakPolarHBondContact O-CE1 3.47Å
92	E	98.3	Very high	98.7	Very high	147 Å²	147	31.2 Å²	31.2	69%	0.687	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-33.4	-180	-65.5	179.4	-164.8	0	0	113.5	D90 N188	D90-E92 PolarHBondContact O-N 2.83Å; E92-N188 PolarHBondContact O-ND2 2.92Å; E92-N188 PolarHBondContact O-OD1 3.2Å; E92-N188 VanDerWaalsContact O-OD1 3.11Å
93	N	98.4	Very high	98.7	Very high	114 Å²	114	31.3 Å²	31.3	61%	0.61	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-5.3	-177.9	-57.1	-74.3	0	0	0	113.8	D90 P91 N188	D90-N93 PolarHBondContact O-N 2.89Å; D90-N93 PolarHBondContact OD1-ND2 2.8Å; D90-N93 PolarHBondContact OD2-ND2 3.48Å; P91-N93 VanDerWaalsContact C-N 3.26Å; P91-N93 PolarHBondContact O-N 2.88Å; N93-N188 VanDerWaalsContact C-OD1 3.24Å; N93-N188 WeakPolarHBondContact CA-OD1 3.46Å
94	S	98.8	Very high	98.6	Very high	12 Å²	12	31.3 Å²	31.3	8%	0.084	16%	0.158	C	C	.	.	S	Bend	trans	-72.4	145.3	179.6	-72.6	0	0	0	0	111.5	S87 K89 D90 P91 N140 N188	S87-S94 VanDerWaalsContact CB-CB 3.48Å; S87-S94 VanDerWaalsContact CB-OG 3.3Å; S87-S94 WeakPolarHBondContact CB-OG 3.42Å; S87-S94 PolarHBondContact OG-OG 3.21Å; K89-S94 PolarHBondContact O-OG 3.16Å; D90-S94 VanDerWaalsContact O-CB 3.29Å; D90-S94 WeakPolarHBondContact O-CB 3.3Å; D90-S94 PolarHBondContact O-N 2.77Å; D90-S94 PolarHBondContact O-OG 3.43Å; P91-S94 PolarHBondContact O-N 3.01Å; S94-N140 PolarHBondContact O-ND2 3.39Å; S94-N188 PolarHBondContact O-OD1 2.86Å
95	P	98.9	Very high	98.6	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.143	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-55.3	146	175.8	-23.6	34.2	0	0	0	112.5	V97 N140 K189 F191 L493	P95-V97 HydrophobicContact CB-CG2 4.38Å; P95-N140 PolarHBondContact O-N 3.18Å; P95-K189 CarbonylContact C-O 3.47Å; P95-K189 VanDerWaalsContact CA-O 3.23Å; P95-K189 WeakPolarHBondContact CA-O 3.4Å; P95-K189 HydrophobicContact CB-CB 4.25Å; P95-K189 WeakPolarHBondContact CB-O 3.37Å; P95-F191 HydrophobicContact CB-CD2 3.92Å; P95-F191 HydrophobicContact CB-CE2 3.97Å; P95-F191 HydrophobicContact CG-CE2 4.3Å; P95-L493 HydrophobicContact CB-CD2 4.5Å; P95-L493 HydrophobicContact CG-CD1 4.37Å
96	V	98.9	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.4	163.9	178.9	0	0	0	0	108	N140 F178 Y185 N188 K189 L190 F191	V96-N140 CarbonylContact C-O 3.49Å; V96-N140 WeakPolarHBondContact CA-O 3.41Å; V96-F178 HydrophobicContact CG1-CE1 3.97Å; V96-F178 HydrophobicContact CG1-CZ 4.37Å; V96-Y185 HydrophobicContact CG2-CD1 4.13Å; V96-Y185 HydrophobicContact CG2-CG 4.03Å; V96-N188 HydrophobicContact CG2-CB 3.93Å; V96-K189 PolarHBondContact N-O 2.85Å; V96-L190 HydrophobicContact CB-CD1 4.3Å; V96-L190 HydrophobicContact CG1-CD1 4.06Å; V96-L190 CarbonylContact O-C 3.59Å; V96-L190 WeakPolarHBondContact O-CA 3.24Å; V96-F191 PolarHBondContact O-N 3.46Å
97	V	99	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	110.5	-178.7	-179.9	0	0	0	0	108.3	P95 A139 N140 V141 L142 F191 T193 F489 L493	P95-V97 HydrophobicContact CB-CG2 4.38Å; V97-A139 HydrophobicContact CB-CB 4.42Å; V97-A139 HydrophobicContact CG2-CB 3.69Å; V97-N140 PolarHBondContact N-O 2.73Å; V97-V141 CarbonylContact O-C 3.56Å; V97-V141 WeakPolarHBondContact O-CA 3.38Å; V97-L142 PolarHBondContact O-N 2.92Å; V97-F191 WeakPolarHBondContact CA-O 3.26Å; V97-F191 HydrophobicContact CG2-CB 4.27Å; V97-T193 HydrophobicContact CG1-CG2 3.9Å; V97-T193 WeakPolarHBondContact CG1-OG1 3.28Å; V97-F489 HydrophobicContact CG1-CE2 4.1Å; V97-F489 HydrophobicContact CG1-CZ 4.31Å; V97-F489 HydrophobicContact CG2-CE2 4.31Å; V97-F489 HydrophobicContact CG2-CZ 4.04Å; V97-L493 HydrophobicContact CG2-CD1 4.39Å; V97-L493 HydrophobicContact CG2-CD2 4.1Å
98	L	99	Very high	98.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.4	168.4	172.6	69.4	0	0	0	108.5	L100 L142 L144 F191 L192 T193 L205	L98-L100 HydrophobicContact CD1-CD2 4.16Å; L98-L100 HydrophobicContact CD1-CG 4.42Å; L98-L100 HydrophobicContact CD2-CD1 4.16Å; L98-L100 HydrophobicContact CD2-CG 4.15Å; L98-L100 HydrophobicContact CG-CD2 4.43Å; L98-L100 HydrophobicContact CG-CG 4.16Å; L98-L142 HydrophobicContact CD1-CB 4.48Å; L98-L142 HydrophobicContact CD1-CD2 3.97Å; L98-L142 HydrophobicContact CD1-CG 4.09Å; L98-L144 HydrophobicContact CD1-CB 3.77Å; L98-L144 HydrophobicContact CD1-CD2 4.2Å; L98-F191 PolarHBondContact N-O 3.41Å; L98-L192 HydrophobicContact CB-CD2 4.01Å; L98-L192 HydrophobicContact CD2-CD2 3.83Å; L98-T193 CarbonylContact O-C 3.59Å; L98-T193 WeakPolarHBondContact O-CA 3.29Å; L98-T193 PolarHBondContact O-N 2.69Å; L98-T193 PolarHBondContact O-OG1 2.99Å; L98-L205 HydrophobicContact CD2-CD2 3.49Å; L98-L205 VanDerWaalsContact CD2-CD2 3.49Å
99	W	99	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.5	169.1	179	-95.6	0	0	0	111.2	N101 H116 W135 V141 L142 Y143 L144 T193 E195	W99-N101 PolarHBondContact NE1-OD1 2.97Å; W99-H116 AromaticContact CD1-CE1 4Å; W99-H116 AromaticContact CD2-CE1 3.34Å; W99-H116 AromaticContact CD2-NE2 3.18Å; W99-H116 AromaticContact CE2-CE1 3.54Å; W99-H116 AromaticContact CE2-NE2 3.26Å; W99-H116 VanDerWaalsContact CE2-NE2 3.26Å; W99-H116 AromaticContact CE3-CE1 3.71Å; W99-H116 AromaticContact CE3-NE2 3.16Å; W99-H116 AromaticContact CG-CE1 3.64Å; W99-H116 AromaticContact CG-NE2 3.98Å; W99-H116 AromaticContact CH2-NE2 3.29Å; W99-H116 VanDerWaalsContact CH2-NE2 3.29Å; W99-H116 WeakPolarHBondContact CH2-NE2 3.42Å; W99-H116 AromaticContact CZ2-NE2 3.32Å; W99-H116 VanDerWaalsContact CZ2-NE2 3.32Å; W99-H116 WeakPolarHBondContact CZ2-NE2 3.33Å; W99-H116 AromaticContact CZ3-NE2 3.22Å; W99-H116 WeakPolarHBondContact CZ3-NE2 3.45Å; W99-H116 AromaticContact NE1-CE1 3.92Å; W99-W135 HydrophobicContact CE3-CE3 4.42Å; W99-W135 HydrophobicContact CE3-CH2 4.29Å; W99-W135 AromaticContact CE3-CZ3 3.68Å; W99-W135 HydrophobicContact CE3-CZ3 3.68Å; W99-W135 HydrophobicContact CH2-CH2 4.41Å; W99-W135 AromaticContact CZ3-CH2 3.65Å; W99-W135 HydrophobicContact CZ3-CH2 3.65Å; W99-W135 AromaticContact CZ3-CZ3 3.53Å; W99-W135 HydrophobicContact CZ3-CZ3 3.53Å; W99-V141 HydrophobicContact CB-CG1 4.3Å; W99-L142 PolarHBondContact N-O 2.88Å; W99-Y143 HydrophobicContact CB-CD1 4.02Å; W99-Y143 HydrophobicContact CB-CE1 4.18Å; W99-Y143 AromaticContact CD1-CD1 3.5Å; W99-Y143 AromaticContact CD1-CE1 3.76Å; W99-Y143 AromaticContact CG-CD1 3.98Å; W99-Y143 HydrophobicContact CG-CD1 3.98Å; W99-Y143 HydrophobicContact CG-CE1 4.02Å; W99-L144 PolarHBondContact O-N 3.03Å; W99-T193 CarbonylContact C-O 3.48Å; W99-T193 WeakPolarHBondContact CA-O 3.39Å; W99-E195 HydrophobicContact CH2-CB 3.88Å; W99-E195 HydrophobicContact CZ2-CB 3.86Å
100	L	98.9	Very high	98.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.7	173	-62.4	179.7	0	0	0	110.9	L98 S108 L144 T193 G194 E195 A198 I202 L205	L98-L100 HydrophobicContact CD1-CD2 4.16Å; L98-L100 HydrophobicContact CD1-CG 4.42Å; L98-L100 HydrophobicContact CD2-CD1 4.16Å; L98-L100 HydrophobicContact CD2-CG 4.15Å; L98-L100 HydrophobicContact CG-CD2 4.43Å; L98-L100 HydrophobicContact CG-CG 4.16Å; L100-S108 WeakPolarHBondContact CA-OG 3.23Å; L100-L144 HydrophobicContact CD2-CB 3.84Å; L100-L144 HydrophobicContact CD2-CD2 4.32Å; L100-L144 HydrophobicContact CD2-CG 4.37Å; L100-L144 WeakPolarHBondContact CD2-O 3.32Å; L100-T193 PolarHBondContact N-O 3.31Å; L100-G194 CarbonylContact O-C 3.6Å; L100-G194 WeakPolarHBondContact O-CA 3.29Å; L100-E195 PolarHBondContact O-N 2.85Å; L100-A198 HydrophobicContact CB-CB 4.1Å; L100-A198 WeakPolarHBondContact O-CB 3.39Å; L100-I202 HydrophobicContact CB-CD1 4.31Å; L100-I202 HydrophobicContact CD1-CD1 3.84Å; L100-I202 HydrophobicContact CG-CD1 4.2Å; L100-L205 HydrophobicContact CD1-CD2 4.48Å
101	N	98.9	Very high	98.7	Very high	9 Å²	9	17.7 Å²	17.7	5%	0.048	10%	0.096	C	C	.	.			trans	-73.8	173.7	161.9	-76.2	82	0	0	0	110.5	W99 S107 S108 G111 E115	W99-N101 PolarHBondContact NE1-OD1 2.97Å; N101-S107 WeakPolarHBondContact CB-O 3.46Å; N101-S108 PolarHBondContact N-OG 2.9Å; N101-S108 VanDerWaalsContact N-OG 3.08Å; N101-S108 VanDerWaalsContact OD1-CA 3.25Å; N101-S108 WeakPolarHBondContact OD1-CA 3.41Å; N101-S108 PolarHBondContact OD1-O 2.82Å; N101-G111 WeakPolarHBondContact OD1-CA 3.12Å; N101-G111 PolarHBondContact OD1-N 3.44Å; N101-G111 VanDerWaalsContact OD1-N 3.1Å; N101-E115 PolarHBondContact ND2-OE1 2.96Å
102	G	98.4	Very high	98.7	Very high	4 Å²	4	16.3 Å²	16.3	4%	0.041	9%	0.087	C	C	.	.			trans	-101.6	-114.9	-172	0	0	0	0	0	115.4	P104 G105 C106 E195	G102-P104 WeakPolarHBondContact O-CA 3.49Å; G102-G105 PolarHBondContact O-N 3.33Å; G102-C106 PolarHBondContact O-N 2.97Å; G102-E195 PolarHBondContact N-O 3.38Å
103	G	97.8	Very high	98.7	Very high	2 Å²	2	9.3 Å²	9.3	2%	0.021	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.8	-101.7	-169.6	0	0	0	0	0	112	C106 N321	G103-C106 WeakPolarHBondContact CA-SG 3.16Å; G103-N321 PolarHBondContact O-ND2 3.01Å
104	P	97.9	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	cis	-71	147.4	9.3	29.4	-35.5	0	0	0	112.4	G102 Y197 Y201 N385 Y388 R390	G102-P104 WeakPolarHBondContact O-CA 3.49Å; P104-Y197 HydrophobicContact CB-CD1 3.87Å; P104-Y197 HydrophobicContact CB-CE1 4Å; P104-Y197 HydrophobicContact CB-CG 4.21Å; P104-Y197 HydrophobicContact CG-CD1 4.42Å; P104-Y197 HydrophobicContact CG-CD2 4.39Å; P104-Y197 HydrophobicContact CG-CE1 4.36Å; P104-Y197 HydrophobicContact CG-CE2 4.27Å; P104-Y197 HydrophobicContact CG-CG 4.45Å; P104-Y201 VanDerWaalsContact CA-OH 3.26Å; P104-Y201 WeakPolarHBondContact CA-OH 3.25Å; P104-Y201 WeakPolarHBondContact CB-OH 3.28Å; P104-N385 WeakPolarHBondContact O-CB 3.45Å; P104-N385 PolarHBondContact O-ND2 3.13Å; P104-Y388 HydrophobicContact CB-CD1 4.05Å; P104-Y388 HydrophobicContact CB-CD2 3.61Å; P104-Y388 HydrophobicContact CB-CE1 4.24Å; P104-Y388 HydrophobicContact CB-CE2 3.79Å; P104-Y388 HydrophobicContact CB-CG 3.75Å; P104-Y388 HydrophobicContact CG-CD1 3.73Å; P104-Y388 HydrophobicContact CG-CD2 4Å; P104-Y388 HydrophobicContact CG-CE1 4.28Å; P104-Y388 HydrophobicContact CG-CE2 4.49Å; P104-Y388 HydrophobicContact CG-CG 3.58Å; P104-R390 VanDerWaalsContact CD-NH2 3.28Å
105	G	98.3	Very high	98.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.3	12.5	179.2	0	0	0	0	0	115.1	G102 C380 N381	G102-G105 PolarHBondContact O-N 3.33Å; G105-C380 CarbonylContact O-C 3.58Å; G105-C380 VanDerWaalsContact O-CA 3.29Å; G105-C380 WeakPolarHBondContact O-CA 3.47Å; G105-N381 PolarHBondContact O-N 2.83Å
106	C	98.8	Very high	98.7	Very high	10 Å²	10	4.1 Å²	4.1	7%	0.068	3%	0.025	C	C	.	.	B	Isolated β-bridge	trans	-103.3	145	178.4	-59.1	0	0	0	0	111.9	G102 G103 V150 M379 C380	G102-C106 PolarHBondContact O-N 2.97Å; G103-C106 WeakPolarHBondContact CA-SG 3.16Å; C106-V150 VanDerWaalsContact C-CG1 3.42Å; C106-M379 CarbonylContact C-O 3.54Å; C106-M379 VanDerWaalsContact CA-O 3.23Å; C106-M379 WeakPolarHBondContact CA-O 3.39Å; C106-C380 HydrophobicContact CB-CB 4.1Å; C106-C380 WeakPolarHBondContact CB-SG 3.35Å; C106-C380 WeakPolarHBondContact SG-CB 3.14Å; C106-C380 CovalentContact SG-SG 2.04Å; C106-C380 PolarHBondContact SG-SG 3.34Å
107	S	98.9	Very high	98.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.025	C	C	.	.			trans	-74.1	140.3	-172.5	164.9	0	0	0	0	112.9	N101 L109 D110 E145 W377 M379	N101-S107 WeakPolarHBondContact CB-O 3.46Å; S107-L109 PolarHBondContact O-N 2.83Å; S107-L109 WeakPolarHBondContact OG-CB 3.36Å; S107-L109 PolarHBondContact OG-N 3.29Å; S107-D110 WeakPolarHBondContact O-CB 3.34Å; S107-D110 PolarHBondContact O-N 2.95Å; S107-E145 VanDerWaalsContact CB-OE1 3.23Å; S107-E145 WeakPolarHBondContact CB-OE1 3.49Å; S107-E145 PolarHBondContact OG-OE1 3.49Å; S107-W377 WeakPolarHBondContact OG-CZ2 3.3Å; S107-M379 PolarHBondContact N-O 3.49Å
108	S	98.9	Very high	98.7	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.007	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-7.9	171.8	-56.6	0	0	0	0	114.1	L100 N101 D110 G111 L112 Y143 L144	L100-S108 WeakPolarHBondContact CA-OG 3.23Å; N101-S108 PolarHBondContact N-OG 2.9Å; N101-S108 VanDerWaalsContact N-OG 3.08Å; N101-S108 VanDerWaalsContact OD1-CA 3.25Å; N101-S108 WeakPolarHBondContact OD1-CA 3.41Å; N101-S108 PolarHBondContact OD1-O 2.82Å; S108-D110 PolarHBondContact O-N 3.23Å; S108-G111 PolarHBondContact O-N 3.16Å; S108-L112 PolarHBondContact O-N 2.82Å; S108-Y143 VanDerWaalsContact O-CD1 3.3Å; S108-Y143 WeakPolarHBondContact O-CD1 3.5Å; S108-L144 WeakPolarHBondContact CB-O 3.4Å; S108-L144 PolarHBondContact OG-O 2.81Å
109	L	98.9	Very high	98.7	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-74.6	-13	171.5	-58.6	-172.4	0	0	0	112.3	W83 S107 L112 L113 E145 F152 L359 W377	W83-L109 HydrophobicContact CB-CD2 3.81Å; W83-L109 HydrophobicContact CD2-CD2 4.46Å; W83-L109 HydrophobicContact CE3-CD1 4.3Å; W83-L109 HydrophobicContact CE3-CD2 3.78Å; S107-L109 PolarHBondContact O-N 2.83Å; S107-L109 WeakPolarHBondContact OG-CB 3.36Å; S107-L109 PolarHBondContact OG-N 3.29Å; L109-L112 HydrophobicContact CD2-CD1 4.33Å; L109-L112 PolarHBondContact O-N 2.83Å; L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-L113 PolarHBondContact O-N 3.09Å; L109-E145 HydrophobicContact CD1-CG 4.42Å; L109-E145 HydrophobicContact CD2-CG 4.49Å; L109-E145 HydrophobicContact CG-CG 3.88Å; L109-F152 HydrophobicContact CD1-CD2 4.2Å; L109-F152 HydrophobicContact CD1-CE2 4.25Å; L109-L359 HydrophobicContact CB-CD1 4.11Å; L109-L359 HydrophobicContact CD1-CD1 3.97Å; L109-L359 HydrophobicContact CD1-CD2 4.07Å; L109-W377 HydrophobicContact CB-CZ2 4.33Å
110	D	98.7	Very high	98.7	Very high	17 Å²	17	6 Å²	6	9%	0.091	4%	0.035	C	C	.	.	H	α-helix	trans	-61.1	-53.2	164.6	-168.2	33.1	0	0	0	109.9	S107 S108 L112 L113 T114 M379	S107-D110 WeakPolarHBondContact O-CB 3.34Å; S107-D110 PolarHBondContact O-N 2.95Å; S108-D110 PolarHBondContact O-N 3.23Å; D110-L112 PolarHBondContact O-N 3.41Å; D110-L112 VanDerWaalsContact O-N 3.09Å; D110-L113 PolarHBondContact O-N 3.27Å; D110-L113 VanDerWaalsContact O-N 3.11Å; D110-T114 PolarHBondContact O-N 3.38Å; D110-T114 PolarHBondContact O-OG1 2.87Å; D110-T114 VanDerWaalsContact OD1-CG2 3.27Å; D110-T114 WeakPolarHBondContact OD1-CG2 3.15Å; D110-T114 PolarHBondContact OD1-OG1 2.96Å; D110-M379 HydrophobicContact CB-CE 4.13Å; D110-M379 HydrophobicContact CB-CG 4.44Å; D110-M379 HydrophobicContact CB-SD 4.48Å; D110-M379 WeakPolarHBondContact OD1-CE 3.32Å
111	G	98.8	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-54.9	-32.5	174.2	0	0	0	0	0	114.9	N101 S108 E115 H116 G117 Y143	N101-G111 WeakPolarHBondContact OD1-CA 3.12Å; N101-G111 PolarHBondContact OD1-N 3.44Å; N101-G111 VanDerWaalsContact OD1-N 3.1Å; S108-G111 PolarHBondContact O-N 3.16Å; G111-E115 WeakPolarHBondContact CA-OE1 3.3Å; G111-E115 PolarHBondContact N-OE1 3.4Å; G111-E115 WeakPolarHBondContact O-CB 3.42Å; G111-H116 PolarHBondContact O-N 2.96Å; G111-H116 PolarHBondContact O-ND1 2.9Å; G111-G117 PolarHBondContact O-N 3.2Å; G111-Y143 VanDerWaalsContact C-CE1 3.49Å
112	L	98.9	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-72.2	-56.3	174.4	-164.7	159.4	0	0	0	110.9	W83 S108 L109 D110 G117 F119 Y143	W83-L112 HydrophobicContact CB-CD1 3.94Å; W83-L112 HydrophobicContact CD2-CD1 3.46Å; W83-L112 VanDerWaalsContact CD2-CD1 3.46Å; W83-L112 HydrophobicContact CE3-CD1 3.79Å; W83-L112 HydrophobicContact CG-CD1 3.55Å; W83-L112 HydrophobicContact CH2-CD2 4.47Å; W83-L112 HydrophobicContact CZ3-CD1 4.43Å; W83-L112 HydrophobicContact CZ3-CD2 4.45Å; S108-L112 PolarHBondContact O-N 2.82Å; L109-L112 HydrophobicContact CD2-CD1 4.33Å; L109-L112 PolarHBondContact O-N 2.83Å; D110-L112 PolarHBondContact O-N 3.41Å; D110-L112 VanDerWaalsContact O-N 3.09Å; L112-G117 WeakPolarHBondContact O-CA 3.39Å; L112-G117 PolarHBondContact O-N 3.36Å; L112-F119 HydrophobicContact CD2-CD2 4.16Å; L112-F119 HydrophobicContact CD2-CE2 3.67Å; L112-F119 HydrophobicContact CD2-CZ 4.43Å; L112-Y143 HydrophobicContact CB-CD1 3.72Å; L112-Y143 HydrophobicContact CB-CD2 4.18Å; L112-Y143 HydrophobicContact CB-CE1 3.78Å; L112-Y143 HydrophobicContact CB-CE2 4.24Å; L112-Y143 HydrophobicContact CB-CG 3.93Å; L112-Y143 HydrophobicContact CD1-CD2 3.63Å; L112-Y143 HydrophobicContact CD1-CE2 3.99Å; L112-Y143 HydrophobicContact CD1-CG 3.97Å; L112-Y143 HydrophobicContact CG-CD1 4.47Å; L112-Y143 HydrophobicContact CG-CD2 4.07Å; L112-Y143 HydrophobicContact CG-CE1 4.41Å; L112-Y143 HydrophobicContact CG-CE2 4Å; L112-Y143 HydrophobicContact CG-CG 4.31Å; L112-Y143 VanDerWaalsContact N-CE1 3.34Å
113	L	98.9	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-87.8	-14.2	-165.9	-65.9	175.9	0	0	0	114.5	L109 D110 F119 L120 V121 L128 Y358 L359	L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-L113 PolarHBondContact O-N 3.09Å; D110-L113 PolarHBondContact O-N 3.27Å; D110-L113 VanDerWaalsContact O-N 3.11Å; L113-F119 HydrophobicContact CD2-CD2 4.25Å; L113-F119 HydrophobicContact CD2-CE2 4.34Å; L113-L120 CarbonylContact O-C 3.59Å; L113-L120 WeakPolarHBondContact O-CA 3.39Å; L113-L120 WeakPolarHBondContact O-CB 3.47Å; L113-V121 HydrophobicContact CB-CB 4.34Å; L113-V121 HydrophobicContact CB-CG1 4.1Å; L113-V121 PolarHBondContact O-N 2.91Å; L113-L128 HydrophobicContact CD2-CD2 4.09Å; L113-Y358 HydrophobicContact CD1-CD1 4.04Å; L113-Y358 HydrophobicContact CD2-CE1 4.46Å; L113-L359 HydrophobicContact CD1-CD1 3.77Å; L113-L359 HydrophobicContact CD1-CD2 3.87Å; L113-L359 HydrophobicContact CD1-CG 3.77Å
114	T	98.7	Very high	98.7	Very high	36 Å²	36	18.8 Å²	18.8	22%	0.221	11%	0.107	C	C	.	.	I	π-helix	trans	-126.3	-21.6	-174.9	75.1	0	0	0	0	113.5	D110 V121 T479	D110-T114 PolarHBondContact O-N 3.38Å; D110-T114 PolarHBondContact O-OG1 2.87Å; D110-T114 VanDerWaalsContact OD1-CG2 3.27Å; D110-T114 WeakPolarHBondContact OD1-CG2 3.15Å; D110-T114 PolarHBondContact OD1-OG1 2.96Å; T114-V121 HydrophobicContact CG2-CG1 4.44Å; T114-T479 PolarHBondContact O-OG1 3.47Å; T114-T479 VanDerWaalsContact O-OG1 3.09Å
115	E	98.9	Very high	98.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	11%	0.108	C	C	.	.	I	π-helix	trans	-108.7	-75.4	-174	-48.6	-174.5	-112.2	0	0	113.3	N101 G111 M476 P478	N101-E115 PolarHBondContact ND2-OE1 2.96Å; G111-E115 WeakPolarHBondContact CA-OE1 3.3Å; G111-E115 PolarHBondContact N-OE1 3.4Å; G111-E115 WeakPolarHBondContact O-CB 3.42Å; E115-M476 HydrophobicContact CG-CB 4.43Å; E115-P478 HydrophobicContact CB-CB 3.95Å; E115-P478 HydrophobicContact CB-CG 4.11Å
116	H	98.9	Very high	98.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.131	C	C	.	.	I	π-helix	trans	-139.9	12.9	-168.2	57.2	43.7	0	0	0	115.4	W99 G111 S134 W135 Y143 P478	W99-H116 AromaticContact CD1-CE1 4Å; W99-H116 AromaticContact CD2-CE1 3.34Å; W99-H116 AromaticContact CD2-NE2 3.18Å; W99-H116 AromaticContact CE2-CE1 3.54Å; W99-H116 AromaticContact CE2-NE2 3.26Å; W99-H116 VanDerWaalsContact CE2-NE2 3.26Å; W99-H116 AromaticContact CE3-CE1 3.71Å; W99-H116 AromaticContact CE3-NE2 3.16Å; W99-H116 AromaticContact CG-CE1 3.64Å; W99-H116 AromaticContact CG-NE2 3.98Å; W99-H116 AromaticContact CH2-NE2 3.29Å; W99-H116 VanDerWaalsContact CH2-NE2 3.29Å; W99-H116 WeakPolarHBondContact CH2-NE2 3.42Å; W99-H116 AromaticContact CZ2-NE2 3.32Å; W99-H116 VanDerWaalsContact CZ2-NE2 3.32Å; W99-H116 WeakPolarHBondContact CZ2-NE2 3.33Å; W99-H116 AromaticContact CZ3-NE2 3.22Å; W99-H116 WeakPolarHBondContact CZ3-NE2 3.45Å; W99-H116 AromaticContact NE1-CE1 3.92Å; G111-H116 PolarHBondContact O-N 2.96Å; G111-H116 PolarHBondContact O-ND1 2.9Å; H116-S134 VanDerWaalsContact O-CA 3.28Å; H116-S134 WeakPolarHBondContact O-CA 3.35Å; H116-S134 PolarHBondContact O-OG 3.34Å; H116-W135 HydrophobicContact CB-CB 4.45Å; H116-W135 HydrophobicContact CB-CD2 4.18Å; H116-W135 HydrophobicContact CB-CG 3.86Å; H116-W135 AromaticContact CD2-CD2 3.55Å; H116-W135 AromaticContact CD2-CE2 3.55Å; H116-W135 AromaticContact CD2-CE3 3.72Å; H116-W135 AromaticContact CD2-CH2 3.92Å; H116-W135 AromaticContact CD2-CZ2 3.75Å; H116-W135 AromaticContact CD2-CZ3 3.9Å; H116-W135 AromaticContact CG-CD2 3.8Å; H116-W135 AromaticContact CG-CG 3.9Å; H116-W135 AromaticContact NE2-CD2 3.96Å; H116-W135 AromaticContact NE2-CE3 3.62Å; H116-W135 AromaticContact NE2-CH2 3.99Å; H116-W135 AromaticContact NE2-CZ3 3.64Å; H116-W135 PolarHBondContact O-N 3.16Å; H116-W135 VanDerWaalsContact O-N 3.08Å; H116-Y143 AromaticContact CE1-CE1 3.46Å; H116-Y143 VanDerWaalsContact CE1-CE1 3.46Å; H116-Y143 WeakPolarHBondContact CE1-CE1 3.38Å; H116-Y143 AromaticContact CE1-CZ 3.85Å; H116-Y143 PolarHBondContact CE1-OH 3.39Å; H116-Y143 AromaticContact ND1-CE1 3.62Å; H116-Y143 AromaticContact ND1-CZ 3.66Å; H116-Y143 PolarHBondContact ND1-OH 3.44Å; H116-Y143 PolarHBondContact O-OH 3.27Å; H116-P478 HydrophobicContact CB-CB 3.89Å; H116-P478 HydrophobicContact CB-CG 4.48Å
117	G	98.9	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-65.5	166.9	170.3	0	0	0	0	0	113	G111 L112 F119 N131 S134 Y143	G111-G117 PolarHBondContact O-N 3.2Å; L112-G117 WeakPolarHBondContact O-CA 3.39Å; L112-G117 PolarHBondContact O-N 3.36Å; G117-F119 PolarHBondContact O-N 2.85Å; G117-N131 WeakPolarHBondContact O-CB 3.48Å; G117-N131 PolarHBondContact O-ND2 2.87Å; G117-N131 VanDerWaalsContact O-ND2 3.11Å; G117-S134 WeakPolarHBondContact O-CB 3.46Å; G117-S134 PolarHBondContact O-OG 2.9Å; G117-Y143 VanDerWaalsContact CA-OH 3.29Å; G117-Y143 WeakPolarHBondContact CA-OH 3.48Å; G117-Y143 PolarHBondContact N-OH 2.82Å
118	P	98.9	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-62.7	-22.5	-176.5	19	-30.1	0	0	0	113.8	F65 V85 Y130 N131 S134 N136	F65-P118 HydrophobicContact CE1-CB 4.11Å; F65-P118 HydrophobicContact CE2-CB 4.13Å; F65-P118 HydrophobicContact CE2-CG 4.07Å; F65-P118 HydrophobicContact CZ-CB 3.37Å; F65-P118 HydrophobicContact CZ-CG 3.77Å; V85-P118 HydrophobicContact CB-CG 4.29Å; V85-P118 HydrophobicContact CG1-CG 3.95Å; V85-P118 HydrophobicContact CG2-CG 4.34Å; P118-Y130 WeakPolarHBondContact O-CA 3.32Å; P118-N131 PolarHBondContact O-N 2.84Å; P118-S134 VanDerWaalsContact CA-OG 3.3Å; P118-S134 WeakPolarHBondContact CA-OG 3.46Å; P118-S134 VanDerWaalsContact N-OG 3.09Å; P118-N136 WeakPolarHBondContact CB-OD1 3.47Å
119	F	98.7	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	143.8	178.2	37.4	-103	0	0	0	109.6	L56 L59 F65 W83 L112 L113 G117 L128 E129	L56-F119 HydrophobicContact CD2-CD2 4.25Å; L56-F119 HydrophobicContact CD2-CE1 4.03Å; L56-F119 HydrophobicContact CD2-CE2 3.49Å; L56-F119 VanDerWaalsContact CD2-CE2 3.49Å; L56-F119 HydrophobicContact CD2-CZ 3.38Å; L59-F119 HydrophobicContact CD1-CD1 4.09Å; L59-F119 HydrophobicContact CD1-CE1 4.21Å; L59-F119 HydrophobicContact CD2-CB 4.05Å; L59-F119 HydrophobicContact CD2-CD1 4.12Å; L59-F119 HydrophobicContact CD2-CG 4.16Å; F65-F119 HydrophobicContact CZ-CE1 4.44Å; W83-F119 AromaticContact CH2-CE2 3.86Å; W83-F119 HydrophobicContact CH2-CE2 3.86Å; W83-F119 HydrophobicContact CH2-CZ 4.25Å; W83-F119 AromaticContact CZ2-CE2 3.66Å; W83-F119 HydrophobicContact CZ2-CE2 3.66Å; W83-F119 AromaticContact CZ2-CZ 3.57Å; W83-F119 HydrophobicContact CZ2-CZ 3.57Å; L112-F119 HydrophobicContact CD2-CD2 4.16Å; L112-F119 HydrophobicContact CD2-CE2 3.67Å; L112-F119 HydrophobicContact CD2-CZ 4.43Å; L113-F119 HydrophobicContact CD2-CD2 4.25Å; L113-F119 HydrophobicContact CD2-CE2 4.34Å; G117-F119 PolarHBondContact O-N 2.85Å; F119-L128 HydrophobicContact CB-CB 4.21Å; F119-L128 HydrophobicContact CD2-CD1 3.56Å; F119-L128 HydrophobicContact CD2-CD2 4.4Å; F119-L128 HydrophobicContact CD2-CG 4.4Å; F119-L128 HydrophobicContact CE2-CD1 3.95Å; F119-L128 HydrophobicContact CG-CD1 4.15Å; F119-E129 CarbonylContact C-O 3.55Å; F119-E129 WeakPolarHBondContact CA-O 3.12Å; F119-E129 WeakPolarHBondContact CB-O 3.41Å
120	L	98.8	Very high	98.7	Very high	42 Å²	42	33.7 Å²	33.7	22%	0.22	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.2	-177	-54.7	178.9	0	0	0	110.4	L113 Q122 E129 N131	L113-L120 CarbonylContact O-C 3.59Å; L113-L120 WeakPolarHBondContact O-CA 3.39Å; L113-L120 WeakPolarHBondContact O-CB 3.47Å; L120-Q122 PolarHBondContact O-NE2 3.06Å; L120-E129 PolarHBondContact N-O 3.45Å; L120-E129 PolarHBondContact O-N 3Å; L120-N131 HydrophobicContact CD1-CB 4.34Å; L120-N131 HydrophobicContact CG-CB 4.07Å
121	V	98.8	Very high	98.7	Very high	18 Å²	18	33.4 Å²	33.4	11%	0.109	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.7	178	69.6	0	0	0	0	110.7	L113 T114 L128 A354 A355 Y358	L113-V121 HydrophobicContact CB-CB 4.34Å; L113-V121 HydrophobicContact CB-CG1 4.1Å; L113-V121 PolarHBondContact O-N 2.91Å; T114-V121 HydrophobicContact CG2-CG1 4.44Å; V121-L128 HydrophobicContact CB-CD2 3.99Å; V121-L128 HydrophobicContact CG2-CD2 4.31Å; V121-A354 HydrophobicContact CG1-CB 4.17Å; V121-A354 HydrophobicContact CG2-CB 4.34Å; V121-A355 HydrophobicContact CG1-CB 4.22Å; V121-Y358 HydrophobicContact CG2-CG 4.1Å
122	Q	98.6	Very high	98.7	Very high	62 Å²	62	37.7 Å²	37.7	29%	0.29	21%	0.208	S	C	.	.			trans	-86.1	163.2	178.9	-61.9	-51.3	-63.8	0	0	111.7	L120 D124 G125 T127 E129 A354	L120-Q122 PolarHBondContact O-NE2 3.06Å; Q122-D124 PolarHBondContact O-N 3.43Å; Q122-G125 PolarHBondContact O-N 2.86Å; Q122-T127 WeakPolarHBondContact CB-O 3.2Å; Q122-T127 HydrophobicContact CG-CG2 4.06Å; Q122-T127 WeakPolarHBondContact CG-O 3.34Å; Q122-T127 PolarHBondContact N-O 2.75Å; Q122-E129 HydrophobicContact CG-CB 4.37Å; Q122-E129 HydrophobicContact CG-CG 3.69Å; Q122-A354 WeakPolarHBondContact O-CB 3.5Å
123	P	98.1	Very high	98.7	Very high	121 Å²	121	41.6 Å²	41.6	79%	0.786	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19	-176.6	-27.9	36.4	0	0	0	115.7	G125	P123-G125 PolarHBondContact O-N 3.31Å
124	D	98.2	Very high	98.7	Very high	84 Å²	84	41.6 Å²	41.6	45%	0.449	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.8	174.4	66.8	0.9	0	0	0	113.4	Q122 V126 T127	Q122-D124 PolarHBondContact O-N 3.43Å; D124-V126 PolarHBondContact O-N 2.98Å; D124-V126 PolarHBondContact OD1-N 3.45Å; D124-T127 PolarHBondContact OD1-N 2.79Å; D124-T127 WeakPolarHBondContact OD2-CB 3.48Å; D124-T127 PolarHBondContact OD2-N 3Å; D124-T127 PolarHBondContact OD2-OG1 3.3Å
125	G	98.1	Very high	98.7	Very high	2 Å²	2	40 Å²	40	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	67	19.9	-176.3	0	0	0	0	0	113.7	Q122 P123 A354 Y358	Q122-G125 PolarHBondContact O-N 2.86Å; P123-G125 PolarHBondContact O-N 3.31Å; G125-A354 WeakPolarHBondContact CA-O 3.42Å; G125-Y358 WeakPolarHBondContact O-CA 3.35Å; G125-Y358 WeakPolarHBondContact O-CB 3.41Å; G125-Y358 PolarHBondContact O-N 3.06Å
126	V	98.4	Very high	98.7	Very high	79 Å²	79	39.9 Å²	39.9	48%	0.479	21%	0.213	S	C	.	.	S	Bend	trans	-131.2	-45.4	-175.9	178.1	0	0	0	0	111	G58 D124	G58-V126 WeakPolarHBondContact CA-O 3.48Å; D124-V126 PolarHBondContact O-N 2.98Å; D124-V126 PolarHBondContact OD1-N 3.45Å
127	T	98.7	Very high	98.7	Very high	46 Å²	46	42 Å²	42	28%	0.282	22%	0.224	S	C	.	.			trans	-84.1	140	-174.5	-56.1	0	0	0	0	110.7	Q122 D124	Q122-T127 WeakPolarHBondContact CB-O 3.2Å; Q122-T127 HydrophobicContact CG-CG2 4.06Å; Q122-T127 WeakPolarHBondContact CG-O 3.34Å; Q122-T127 PolarHBondContact N-O 2.75Å; D124-T127 PolarHBondContact OD1-N 2.79Å; D124-T127 WeakPolarHBondContact OD2-CB 3.48Å; D124-T127 PolarHBondContact OD2-N 3Å; D124-T127 PolarHBondContact OD2-OG1 3.3Å
128	L	98.8	Very high	98.7	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.3	171	-68.4	-173.1	0	0	0	109.7	L56 G58 L59 L113 F119 V121 Y358	L56-L128 HydrophobicContact CD2-CD1 3.54Å; L56-L128 HydrophobicContact CG-CD1 4.11Å; G58-L128 PolarHBondContact O-N 3.16Å; L59-L128 HydrophobicContact CD2-CB 3.72Å; L59-L128 HydrophobicContact CD2-CD1 4.42Å; L59-L128 HydrophobicContact CG-CB 4.09Å; L59-L128 HydrophobicContact CG-CD1 4.11Å; L113-L128 HydrophobicContact CD2-CD2 4.09Å; F119-L128 HydrophobicContact CB-CB 4.21Å; F119-L128 HydrophobicContact CD2-CD1 3.56Å; F119-L128 HydrophobicContact CD2-CD2 4.4Å; F119-L128 HydrophobicContact CD2-CG 4.4Å; F119-L128 HydrophobicContact CE2-CD1 3.95Å; F119-L128 HydrophobicContact CG-CD1 4.15Å; V121-L128 HydrophobicContact CB-CD2 3.99Å; V121-L128 HydrophobicContact CG2-CD2 4.31Å; L128-Y358 HydrophobicContact CD1-CE1 4.12Å; L128-Y358 HydrophobicContact CD1-CE2 3.97Å; L128-Y358 VanDerWaalsContact CD1-CZ 3.48Å; L128-Y358 WeakPolarHBondContact CD1-OH 3.33Å; L128-Y358 HydrophobicContact CD2-CD1 4.47Å; L128-Y358 HydrophobicContact CD2-CD2 4.29Å; L128-Y358 HydrophobicContact CD2-CE1 4.19Å; L128-Y358 HydrophobicContact CD2-CE2 4.01Å; L128-Y358 HydrophobicContact CG-CD2 4.48Å; L128-Y358 HydrophobicContact CG-CE1 4.46Å; L128-Y358 HydrophobicContact CG-CE2 3.78Å
129	E	98.8	Very high	98.7	Very high	107 Å²	107	44.2 Å²	44.2	50%	0.5	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.8	176.2	-71.9	-66.7	163.9	0	0	110.7	F119 L120 Q122 N131	F119-E129 CarbonylContact C-O 3.55Å; F119-E129 WeakPolarHBondContact CA-O 3.12Å; F119-E129 WeakPolarHBondContact CB-O 3.41Å; L120-E129 PolarHBondContact N-O 3.45Å; L120-E129 PolarHBondContact O-N 3Å; Q122-E129 HydrophobicContact CG-CB 4.37Å; Q122-E129 HydrophobicContact CG-CG 3.69Å; E129-N131 PolarHBondContact O-N 2.98Å
130	Y	98.8	Very high	98.7	Very high	87 Å²	87	44.2 Å²	44.2	34%	0.341	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.3	178.5	-82.8	-93	0	0	0	111.5	L59 K61 Q62 P63 F65 P118 P132	L59-Y130 HydrophobicContact CD2-CD2 4.38Å; L59-Y130 HydrophobicContact CD2-CE2 3.91Å; K61-Y130 PolarHBondContact O-OH 3.06Å; Q62-Y130 PolarHBondContact O-OH 2.88Å; P63-Y130 WeakPolarHBondContact CA-OH 3.39Å; F65-Y130 HydrophobicContact CE1-CE1 4.38Å; P118-Y130 WeakPolarHBondContact O-CA 3.32Å; Y130-P132 WeakPolarHBondContact O-CD 3.43Å
131	N	98.8	Very high	98.7	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.059	23%	0.225	C	C	.	.			trans	-92.2	113	177.6	-174.1	-2.8	0	0	0	110.7	G117 P118 L120 E129 Y133 S134	G117-N131 WeakPolarHBondContact O-CB 3.48Å; G117-N131 PolarHBondContact O-ND2 2.87Å; G117-N131 VanDerWaalsContact O-ND2 3.11Å; P118-N131 PolarHBondContact O-N 2.84Å; L120-N131 HydrophobicContact CD1-CB 4.34Å; L120-N131 HydrophobicContact CG-CB 4.07Å; E129-N131 PolarHBondContact O-N 2.98Å; N131-Y133 PolarHBondContact O-N 2.95Å; N131-Y133 VanDerWaalsContact O-N 3.11Å; N131-Y133 PolarHBondContact OD1-N 3.43Å; N131-S134 PolarHBondContact O-N 3.06Å
132	P	98.7	Very high	98.7	Very high	89 Å²	89	41.4 Å²	41.4	58%	0.578	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.6	178.5	29.5	-34.7	0	0	0	113.6	Y130 L137	Y130-P132 WeakPolarHBondContact O-CD 3.43Å; P132-L137 WeakPolarHBondContact O-CD1 3.35Å
133	Y	98.8	Very high	98.7	Very high	82 Å²	82	38.5 Å²	38.5	32%	0.322	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	19.8	-179.5	-49.9	-63.4	0	0	0	112.2	N131 W135 P482 L483	N131-Y133 PolarHBondContact O-N 2.95Å; N131-Y133 VanDerWaalsContact O-N 3.11Å; N131-Y133 PolarHBondContact OD1-N 3.43Å; Y133-W135 PolarHBondContact O-N 3.22Å; Y133-P482 HydrophobicContact CD2-CB 3.52Å; Y133-P482 HydrophobicContact CD2-CG 3.81Å; Y133-P482 HydrophobicContact CE2-CB 4.32Å; Y133-P482 HydrophobicContact CE2-CG 4.13Å; Y133-P482 HydrophobicContact CG-CB 3.94Å; Y133-L483 HydrophobicContact CD1-CB 4.03Å; Y133-L483 HydrophobicContact CD1-CD1 3.99Å; Y133-L483 HydrophobicContact CE1-CB 3.76Å; Y133-L483 HydrophobicContact CE1-CD1 3.7Å; Y133-L483 HydrophobicContact CE1-CG 4.21Å
134	S	98.9	Very high	98.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.			trans	-59.6	139.2	179.1	-175.2	0	0	0	0	111.7	H116 G117 P118 N131 N136 L137 F486	H116-S134 VanDerWaalsContact O-CA 3.28Å; H116-S134 WeakPolarHBondContact O-CA 3.35Å; H116-S134 PolarHBondContact O-OG 3.34Å; G117-S134 WeakPolarHBondContact O-CB 3.46Å; G117-S134 PolarHBondContact O-OG 2.9Å; P118-S134 VanDerWaalsContact CA-OG 3.3Å; P118-S134 WeakPolarHBondContact CA-OG 3.46Å; P118-S134 VanDerWaalsContact N-OG 3.09Å; N131-S134 PolarHBondContact O-N 3.06Å; S134-N136 WeakPolarHBondContact CB-OD1 3.48Å; S134-N136 PolarHBondContact O-N 3.25Å; S134-N136 PolarHBondContact OG-N 3.41Å; S134-N136 PolarHBondContact OG-OD1 3.1Å; S134-L137 WeakPolarHBondContact O-CB 3.19Å; S134-L137 WeakPolarHBondContact O-CD1 3.38Å; S134-L137 VanDerWaalsContact O-CG 3.26Å; S134-L137 WeakPolarHBondContact O-CG 3.36Å; S134-L137 PolarHBondContact O-N 3.15Å; S134-L137 VanDerWaalsContact O-N 3.16Å; S134-F486 WeakPolarHBondContact O-CE2 3.34Å
135	W	98.9	Very high	98.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.008	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-66.3	-24	174.7	-74	16.3	0	0	0	112.2	W99 H116 Y133 L137 I138 A139 V141 P478 M488 F489	W99-W135 HydrophobicContact CE3-CE3 4.42Å; W99-W135 HydrophobicContact CE3-CH2 4.29Å; W99-W135 AromaticContact CE3-CZ3 3.68Å; W99-W135 HydrophobicContact CE3-CZ3 3.68Å; W99-W135 HydrophobicContact CH2-CH2 4.41Å; W99-W135 AromaticContact CZ3-CH2 3.65Å; W99-W135 HydrophobicContact CZ3-CH2 3.65Å; W99-W135 AromaticContact CZ3-CZ3 3.53Å; W99-W135 HydrophobicContact CZ3-CZ3 3.53Å; H116-W135 HydrophobicContact CB-CB 4.45Å; H116-W135 HydrophobicContact CB-CD2 4.18Å; H116-W135 HydrophobicContact CB-CG 3.86Å; H116-W135 AromaticContact CD2-CD2 3.55Å; H116-W135 AromaticContact CD2-CE2 3.55Å; H116-W135 AromaticContact CD2-CE3 3.72Å; H116-W135 AromaticContact CD2-CH2 3.92Å; H116-W135 AromaticContact CD2-CZ2 3.75Å; H116-W135 AromaticContact CD2-CZ3 3.9Å; H116-W135 AromaticContact CG-CD2 3.8Å; H116-W135 AromaticContact CG-CG 3.9Å; H116-W135 AromaticContact NE2-CD2 3.96Å; H116-W135 AromaticContact NE2-CE3 3.62Å; H116-W135 AromaticContact NE2-CH2 3.99Å; H116-W135 AromaticContact NE2-CZ3 3.64Å; H116-W135 PolarHBondContact O-N 3.16Å; H116-W135 VanDerWaalsContact O-N 3.08Å; Y133-W135 PolarHBondContact O-N 3.22Å; W135-L137 PolarHBondContact O-N 3.42Å; W135-L137 VanDerWaalsContact O-N 3.15Å; W135-I138 PolarHBondContact O-N 3.2Å; W135-A139 PolarHBondContact O-N 3.02Å; W135-V141 HydrophobicContact CB-CG2 4.28Å; W135-P478 HydrophobicContact CZ2-CG 4.42Å; W135-M488 HydrophobicContact CZ2-CE 4.44Å; W135-F489 HydrophobicContact CB-CD1 3.96Å; W135-F489 HydrophobicContact CB-CE1 3.57Å; W135-F489 HydrophobicContact CB-CZ 3.9Å; W135-F489 AromaticContact CD1-CD1 3.93Å; W135-F489 HydrophobicContact CD2-CB 4.18Å; W135-F489 AromaticContact CD2-CD1 3.87Å; W135-F489 HydrophobicContact CD2-CD1 3.87Å; W135-F489 AromaticContact CD2-CD2 3.65Å; W135-F489 HydrophobicContact CD2-CD2 3.65Å; W135-F489 HydrophobicContact CD2-CE1 4.07Å; W135-F489 AromaticContact CD2-CE2 3.87Å; W135-F489 HydrophobicContact CD2-CE2 3.87Å; W135-F489 AromaticContact CD2-CG 3.63Å; W135-F489 HydrophobicContact CD2-CG 3.63Å; W135-F489 HydrophobicContact CD2-CZ 4.04Å; W135-F489 AromaticContact CE2-CD2 3.97Å; W135-F489 AromaticContact CE2-CG 3.75Å; W135-F489 HydrophobicContact CE3-CD1 4.43Å; W135-F489 AromaticContact CE3-CD2 3.51Å; W135-F489 HydrophobicContact CE3-CD2 3.51Å; W135-F489 HydrophobicContact CE3-CE1 4.36Å; W135-F489 AromaticContact CE3-CE2 3.43Å; W135-F489 HydrophobicContact CE3-CE2 3.43Å; W135-F489 VanDerWaalsContact CE3-CE2 3.43Å; W135-F489 HydrophobicContact CE3-CG 4.01Å; W135-F489 AromaticContact CE3-CZ 3.85Å; W135-F489 HydrophobicContact CE3-CZ 3.85Å; W135-F489 AromaticContact CG-CD1 3.65Å; W135-F489 HydrophobicContact CG-CD1 3.65Å; W135-F489 HydrophobicContact CG-CD2 4.32Å; W135-F489 AromaticContact CG-CE1 3.75Å; W135-F489 HydrophobicContact CG-CE1 3.75Å; W135-F489 HydrophobicContact CG-CE2 4.41Å; W135-F489 AromaticContact CG-CG 3.92Å; W135-F489 HydrophobicContact CG-CG 3.92Å; W135-F489 HydrophobicContact CG-CZ 4.11Å; W135-F489 HydrophobicContact CH2-CD2 4.02Å; W135-F489 HydrophobicContact CZ2-CB 4Å; W135-F489 HydrophobicContact CZ2-CD2 4.15Å; W135-F489 HydrophobicContact CZ2-CG 4.22Å; W135-F489 AromaticContact CZ3-CD2 3.71Å; W135-F489 HydrophobicContact CZ3-CD2 3.71Å; W135-F489 AromaticContact CZ3-CE2 3.85Å; W135-F489 HydrophobicContact CZ3-CE2 3.85Å; W135-F489 HydrophobicContact CZ3-CG 4.45Å; W135-F489 WeakPolarHBondContact O-CE1 3.37Å
136	N	98.9	Very high	98.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-72.8	-1.9	175.9	96.4	-47.8	0	0	0	113.8	F65 V85 E86 S87 Q88 P118 S134 I138 A139 V141	F65-N136 WeakPolarHBondContact CE2-ND2 3.46Å; V85-N136 HydrophobicContact CB-CB 4.48Å; V85-N136 HydrophobicContact CG2-CB 3.72Å; E86-N136 PolarHBondContact O-ND2 2.9Å; S87-N136 CarbonylContact C-O 3.56Å; S87-N136 VanDerWaalsContact CA-O 3.24Å; S87-N136 WeakPolarHBondContact CA-O 3.43Å; Q88-N136 WeakPolarHBondContact CG-ND2 3.47Å; Q88-N136 WeakPolarHBondContact CG-O 3.28Å; Q88-N136 PolarHBondContact N-O 3.29Å; Q88-N136 PolarHBondContact NE2-OD1 2.79Å; P118-N136 WeakPolarHBondContact CB-OD1 3.47Å; S134-N136 WeakPolarHBondContact CB-OD1 3.48Å; S134-N136 PolarHBondContact O-N 3.25Å; S134-N136 PolarHBondContact OG-N 3.41Å; S134-N136 PolarHBondContact OG-OD1 3.1Å; N136-I138 PolarHBondContact O-N 3.35Å; N136-A139 VanDerWaalsContact CA-O 3.23Å; N136-A139 WeakPolarHBondContact CA-O 3.49Å; N136-V141 HydrophobicContact CB-CG2 3.96Å
137	L	98.9	Very high	98.9	Very high	46 Å²	46	25.3 Å²	25.3	24%	0.241	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-60	-25.6	170.7	-72	168	0	0	0	112.7	Q88 P132 S134 W135 F486	Q88-L137 HydrophobicContact CB-CD2 4.44Å; Q88-L137 HydrophobicContact CG-CD2 4.3Å; P132-L137 WeakPolarHBondContact O-CD1 3.35Å; S134-L137 WeakPolarHBondContact O-CB 3.19Å; S134-L137 WeakPolarHBondContact O-CD1 3.38Å; S134-L137 VanDerWaalsContact O-CG 3.26Å; S134-L137 WeakPolarHBondContact O-CG 3.36Å; S134-L137 PolarHBondContact O-N 3.15Å; S134-L137 VanDerWaalsContact O-N 3.16Å; W135-L137 PolarHBondContact O-N 3.42Å; W135-L137 VanDerWaalsContact O-N 3.15Å; L137-F486 HydrophobicContact CB-CE2 3.91Å; L137-F486 HydrophobicContact CB-CZ 4.14Å; L137-F486 HydrophobicContact CD1-CE2 3.94Å; L137-F486 HydrophobicContact CD1-CZ 4.1Å
138	I	98.9	Very high	98.9	Very high	47 Å²	47	23.4 Å²	23.4	24%	0.241	12%	0.115	C	C	.	.	S	Bend	trans	-137.7	8.4	-173.9	62.3	171.3	0	0	0	114.1	W135 N136 F486 F489 L493	W135-I138 PolarHBondContact O-N 3.2Å; N136-I138 PolarHBondContact O-N 3.35Å; I138-F486 HydrophobicContact CD1-CE2 4.25Å; I138-F486 HydrophobicContact CD1-CZ 4.3Å; I138-F486 HydrophobicContact CG1-CE2 4.22Å; I138-F486 HydrophobicContact CG1-CZ 4.48Å; I138-F486 HydrophobicContact CG2-CZ 4.24Å; I138-F489 HydrophobicContact CD1-CD1 4.02Å; I138-F489 HydrophobicContact CD1-CE1 4.08Å; I138-F489 HydrophobicContact CG1-CD1 4.29Å; I138-F489 HydrophobicContact CG1-CE1 3.91Å; I138-L493 HydrophobicContact CD1-CD1 4.19Å; I138-L493 HydrophobicContact CG1-CD1 4.31Å
139	A	98.9	Very high	98.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-151	150.9	-176.4	0	0	0	0	0	111.4	S87 V97 W135 N136 V141 F489 L493	S87-A139 VanDerWaalsContact CA-O 3.28Å; S87-A139 WeakPolarHBondContact CA-O 3.25Å; S87-A139 PolarHBondContact N-O 2.97Å; S87-A139 PolarHBondContact OG-N 2.94Å; V97-A139 HydrophobicContact CB-CB 4.42Å; V97-A139 HydrophobicContact CG2-CB 3.69Å; W135-A139 PolarHBondContact O-N 3.02Å; N136-A139 VanDerWaalsContact CA-O 3.23Å; N136-A139 WeakPolarHBondContact CA-O 3.49Å; A139-V141 HydrophobicContact CB-CG2 4.12Å; A139-V141 PolarHBondContact O-N 2.9Å; A139-F489 HydrophobicContact CB-CE1 4.24Å; A139-F489 HydrophobicContact CB-CZ 3.98Å; A139-L493 HydrophobicContact CB-CD1 3.99Å
140	N	98.9	Very high	98.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110	165.7	-54.4	-65.8	0	0	0	108	F84 V85 E86 S87 P91 S94 P95 V96 V97	F84-N140 HydrophobicContact CE2-CB 3.59Å; F84-N140 HydrophobicContact CZ-CB 3.53Å; V85-N140 CarbonylContact O-C 3.5Å; V85-N140 WeakPolarHBondContact O-CA 3.39Å; E86-N140 WeakPolarHBondContact CA-OD1 3.38Å; S87-N140 PolarHBondContact N-OD1 3.46Å; P91-N140 WeakPolarHBondContact CA-OD1 3.47Å; P91-N140 VanDerWaalsContact CB-OD1 3.28Å; P91-N140 WeakPolarHBondContact CB-OD1 3.48Å; P91-N140 PolarHBondContact O-ND2 3.27Å; P91-N140 PolarHBondContact O-OD1 2.82Å; S94-N140 PolarHBondContact O-ND2 3.39Å; P95-N140 PolarHBondContact O-N 3.18Å; V96-N140 CarbonylContact C-O 3.49Å; V96-N140 WeakPolarHBondContact CA-O 3.41Å; V97-N140 PolarHBondContact N-O 2.73Å
141	V	98.9	Very high	98.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.8	-170.7	-168.1	0	0	0	0	110.4	F84 V85 V97 W99 W135 N136 A139 Y143	F84-V141 WeakPolarHBondContact CA-O 3.19Å; F84-V141 WeakPolarHBondContact CD2-O 3.19Å; V85-V141 HydrophobicContact CG2-CB 3.97Å; V85-V141 WeakPolarHBondContact CG2-O 3.46Å; V85-V141 PolarHBondContact N-O 3.03Å; V85-V141 PolarHBondContact O-N 3.21Å; V97-V141 CarbonylContact O-C 3.56Å; V97-V141 WeakPolarHBondContact O-CA 3.38Å; W99-V141 HydrophobicContact CB-CG1 4.3Å; W135-V141 HydrophobicContact CB-CG2 4.28Å; N136-V141 HydrophobicContact CB-CG2 3.96Å; A139-V141 HydrophobicContact CB-CG2 4.12Å; A139-V141 PolarHBondContact O-N 2.9Å; V141-Y143 HydrophobicContact CB-CD2 4.47Å; V141-Y143 HydrophobicContact CB-CE2 3.82Å; V141-Y143 HydrophobicContact CG1-CD2 4.01Å; V141-Y143 HydrophobicContact CG1-CE1 4.36Å; V141-Y143 HydrophobicContact CG1-CE2 3.44Å; V141-Y143 VanDerWaalsContact CG1-CE2 3.44Å
142	L	98.9	Very high	98.9	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	105.8	177	177	64.5	0	0	0	109.3	L72 Y82 F84 V97 L98 W99 L175 F178	L72-L142 HydrophobicContact CD1-CD2 4.43Å; Y82-L142 HydrophobicContact CD2-CD1 3.62Å; Y82-L142 HydrophobicContact CG-CD1 4.02Å; F84-L142 HydrophobicContact CB-CD1 3.98Å; F84-L142 HydrophobicContact CD2-CB 3.95Å; F84-L142 HydrophobicContact CD2-CD1 4.25Å; V97-L142 PolarHBondContact O-N 2.92Å; L98-L142 HydrophobicContact CD1-CB 4.48Å; L98-L142 HydrophobicContact CD1-CD2 3.97Å; L98-L142 HydrophobicContact CD1-CG 4.09Å; W99-L142 PolarHBondContact N-O 2.88Å; L142-L175 HydrophobicContact CD2-CD1 4.38Å; L142-F178 HydrophobicContact CD1-CD2 4Å; L142-F178 HydrophobicContact CD1-CE2 4.06Å; L142-F178 HydrophobicContact CD2-CB 4.36Å; L142-F178 HydrophobicContact CD2-CD1 4.27Å; L142-F178 HydrophobicContact CD2-CD2 3.82Å; L142-F178 HydrophobicContact CD2-CE2 4.18Å; L142-F178 HydrophobicContact CD2-CG 3.87Å
143	Y	99	Very high	98.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116	171.1	-61.4	-96.7	0	0	0	108.3	Y82 W83 V85 W99 S108 G111 L112 H116 G117 V141	Y82-Y143 CarbonylContact C-O 3.57Å; Y82-Y143 WeakPolarHBondContact CA-O 3.49Å; W83-Y143 PolarHBondContact N-O 3.21Å; W83-Y143 PolarHBondContact O-N 2.82Å; V85-Y143 HydrophobicContact CG2-CD2 4.43Å; V85-Y143 HydrophobicContact CG2-CE2 3.87Å; W99-Y143 HydrophobicContact CB-CD1 4.02Å; W99-Y143 HydrophobicContact CB-CE1 4.18Å; W99-Y143 AromaticContact CD1-CD1 3.5Å; W99-Y143 AromaticContact CD1-CE1 3.76Å; W99-Y143 AromaticContact CG-CD1 3.98Å; W99-Y143 HydrophobicContact CG-CD1 3.98Å; W99-Y143 HydrophobicContact CG-CE1 4.02Å; S108-Y143 VanDerWaalsContact O-CD1 3.3Å; S108-Y143 WeakPolarHBondContact O-CD1 3.5Å; G111-Y143 VanDerWaalsContact C-CE1 3.49Å; L112-Y143 HydrophobicContact CB-CD1 3.72Å; L112-Y143 HydrophobicContact CB-CD2 4.18Å; L112-Y143 HydrophobicContact CB-CE1 3.78Å; L112-Y143 HydrophobicContact CB-CE2 4.24Å; L112-Y143 HydrophobicContact CB-CG 3.93Å; L112-Y143 HydrophobicContact CD1-CD2 3.63Å; L112-Y143 HydrophobicContact CD1-CE2 3.99Å; L112-Y143 HydrophobicContact CD1-CG 3.97Å; L112-Y143 HydrophobicContact CG-CD1 4.47Å; L112-Y143 HydrophobicContact CG-CD2 4.07Å; L112-Y143 HydrophobicContact CG-CE1 4.41Å; L112-Y143 HydrophobicContact CG-CE2 4Å; L112-Y143 HydrophobicContact CG-CG 4.31Å; L112-Y143 VanDerWaalsContact N-CE1 3.34Å; H116-Y143 AromaticContact CE1-CE1 3.46Å; H116-Y143 VanDerWaalsContact CE1-CE1 3.46Å; H116-Y143 WeakPolarHBondContact CE1-CE1 3.38Å; H116-Y143 AromaticContact CE1-CZ 3.85Å; H116-Y143 PolarHBondContact CE1-OH 3.39Å; H116-Y143 AromaticContact ND1-CE1 3.62Å; H116-Y143 AromaticContact ND1-CZ 3.66Å; H116-Y143 PolarHBondContact ND1-OH 3.44Å; H116-Y143 PolarHBondContact O-OH 3.27Å; G117-Y143 VanDerWaalsContact CA-OH 3.29Å; G117-Y143 WeakPolarHBondContact CA-OH 3.48Å; G117-Y143 PolarHBondContact N-OH 2.82Å; V141-Y143 HydrophobicContact CB-CD2 4.47Å; V141-Y143 HydrophobicContact CB-CE2 3.82Å; V141-Y143 HydrophobicContact CG1-CD2 4.01Å; V141-Y143 HydrophobicContact CG1-CE1 4.36Å; V141-Y143 HydrophobicContact CG1-CE2 3.44Å; V141-Y143 VanDerWaalsContact CG1-CE2 3.44Å
144	L	98.9	Very high	98.9	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.01	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.5	-176.2	-177.3	65.8	0	0	0	110.4	L72 L80 L98 W99 L100 S108 S146 A174	L72-L144 HydrophobicContact CD1-CD1 3.87Å; L80-L144 HydrophobicContact CB-CD1 3.75Å; L80-L144 HydrophobicContact CB-CG 4.47Å; L80-L144 HydrophobicContact CD1-CD2 4.27Å; L98-L144 HydrophobicContact CD1-CB 3.77Å; L98-L144 HydrophobicContact CD1-CD2 4.2Å; W99-L144 PolarHBondContact O-N 3.03Å; L100-L144 HydrophobicContact CD2-CB 3.84Å; L100-L144 HydrophobicContact CD2-CD2 4.32Å; L100-L144 HydrophobicContact CD2-CG 4.37Å; L100-L144 WeakPolarHBondContact CD2-O 3.32Å; S108-L144 WeakPolarHBondContact CB-O 3.4Å; S108-L144 PolarHBondContact OG-O 2.81Å; L144-S146 PolarHBondContact O-N 2.92Å; L144-A174 HydrophobicContact CD2-CB 4.34Å
145	E	98.9	Very high	98.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.			trans	-73.7	109	174.2	-60.8	-164.9	115.5	0	0	109.4	H81 S107 L109 G151 F152 S153 W377	H81-E145 HydrophobicContact CB-CB 4.32Å; H81-E145 HydrophobicContact CB-CG 4.48Å; H81-E145 IonicContact CG-OE2 3.73Å; H81-E145 IonicContact ND1-OE2 3.86Å; H81-E145 PolarHBondContact ND1-OE2 3.19Å; H81-E145 VanDerWaalsContact ND1-OE2 3.12Å; H81-E145 PolarHBondContact O-N 2.77Å; S107-E145 VanDerWaalsContact CB-OE1 3.23Å; S107-E145 WeakPolarHBondContact CB-OE1 3.49Å; S107-E145 PolarHBondContact OG-OE1 3.49Å; L109-E145 HydrophobicContact CD1-CG 4.42Å; L109-E145 HydrophobicContact CD2-CG 4.49Å; L109-E145 HydrophobicContact CG-CG 3.88Å; E145-G151 WeakPolarHBondContact OE1-CA 3.23Å; E145-F152 WeakPolarHBondContact OE2-CB 3.29Å; E145-F152 PolarHBondContact OE2-N 2.81Å; E145-S153 WeakPolarHBondContact CB-OG 3.5Å; E145-S153 PolarHBondContact O-OG 3.11Å; E145-W377 PolarHBondContact OE1-NE1 3.12Å
146	S	98.9	Very high	98.8	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.021	7%	0.074	C	C	.	.			trans	-142	143.1	-174.4	173.7	0	0	0	0	111.4	L144 N171	L144-S146 PolarHBondContact O-N 2.92Å; S146-N171 WeakPolarHBondContact CB-OD1 3.41Å; S146-N171 VanDerWaalsContact OG-CG 3.3Å; S146-N171 PolarHBondContact OG-ND2 2.76Å; S146-N171 PolarHBondContact OG-OD1 3Å
147	P	98.8	Very high	98.8	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.026	10%	0.095	C	C	.	.	S	Bend	cis	-82.1	-173.4	1.5	33.9	-39	0	0	0	114.8	G149 V150 T162 V167 V384	P147-G149 PolarHBondContact O-N 2.88Å; P147-V150 HydrophobicContact CG-CG2 4.26Å; P147-V150 VanDerWaalsContact O-CB 3.25Å; P147-V150 WeakPolarHBondContact O-CB 3.5Å; P147-V150 VanDerWaalsContact O-CG2 3.28Å; P147-V150 WeakPolarHBondContact O-CG2 3.35Å; P147-V150 PolarHBondContact O-N 2.91Å; P147-V150 VanDerWaalsContact O-N 3.12Å; P147-T162 HydrophobicContact CB-CG2 4.17Å; P147-T162 HydrophobicContact CG-CG2 3.9Å; P147-V167 HydrophobicContact CB-CG1 4.4Å; P147-V167 HydrophobicContact CB-CG2 3.75Å; P147-V167 HydrophobicContact CG-CG2 4.1Å; P147-V384 HydrophobicContact CG-CG1 3.76Å
148	A	98.9	Very high	98.7	Very high	6 Å²	6	22.4 Å²	22.4	5%	0.05	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	137.4	173.1	0	0	0	0	0	111.7	K78 L80 Y160	K78-A148 HydrophobicContact CB-CB 4.06Å; K78-A148 HydrophobicContact CD-CB 4.15Å; K78-A148 HydrophobicContact CG-CB 3.8Å; L80-A148 HydrophobicContact CD2-CB 4.16Å; A148-Y160 HydrophobicContact CB-CD1 4.48Å; A148-Y160 WeakPolarHBondContact O-CD1 3.38Å
149	G	98.5	Very high	98.6	Very high	6 Å²	6	27.9 Å²	27.9	6%	0.062	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-14.1	-172.1	0	0	0	0	0	114.2	P147 S153 N381	P147-G149 PolarHBondContact O-N 2.88Å; G149-S153 CarbonylContact C-O 3.48Å; G149-S153 WeakPolarHBondContact CA-O 3.25Å; G149-S153 PolarHBondContact N-O 2.77Å; G149-N381 PolarHBondContact O-ND2 2.73Å
150	V	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-82.3	129.5	175.2	177.4	0	0	0	0	110.7	C106 P147 F152 S153 V384	C106-V150 VanDerWaalsContact C-CG1 3.42Å; P147-V150 HydrophobicContact CG-CG2 4.26Å; P147-V150 VanDerWaalsContact O-CB 3.25Å; P147-V150 WeakPolarHBondContact O-CB 3.5Å; P147-V150 VanDerWaalsContact O-CG2 3.28Å; P147-V150 WeakPolarHBondContact O-CG2 3.35Å; P147-V150 PolarHBondContact O-N 2.91Å; P147-V150 VanDerWaalsContact O-N 3.12Å; V150-F152 PolarHBondContact O-N 3.49Å; V150-S153 VanDerWaalsContact O-CB 3.23Å; V150-S153 WeakPolarHBondContact O-CB 3.47Å; V150-S153 PolarHBondContact O-N 3.48Å; V150-V384 HydrophobicContact CG2-CG1 4.17Å; V150-V384 HydrophobicContact CG2-CG2 4.28Å
151	G	98.7	Very high	98.6	Very high	9 Å²	9	32.7 Å²	32.7	9%	0.093	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-118.9	178.4	0	0	0	0	0	111.9	E145	E145-G151 WeakPolarHBondContact OE1-CA 3.23Å
152	F	98.9	Very high	98.6	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.4	174.7	-60.6	-57.3	0	0	0	114.3	Y71 H81 L109 E145 V150 L359 R365 I370 L374 W377	Y71-F152 VanDerWaalsContact CE1-O 3.25Å; Y71-F152 WeakPolarHBondContact CE1-O 3.02Å; Y71-F152 PolarHBondContact OH-O 2.82Å; H81-F152 HydrophobicContact CB-CB 3.83Å; L109-F152 HydrophobicContact CD1-CD2 4.2Å; L109-F152 HydrophobicContact CD1-CE2 4.25Å; E145-F152 WeakPolarHBondContact OE2-CB 3.29Å; E145-F152 PolarHBondContact OE2-N 2.81Å; V150-F152 PolarHBondContact O-N 3.49Å; F152-L359 HydrophobicContact CE2-CB 4.31Å; F152-L359 HydrophobicContact CE2-CD2 4.25Å; F152-L359 HydrophobicContact CZ-CB 4.12Å; F152-L359 WeakPolarHBondContact CZ-O 3.16Å; F152-R365 HydrophobicContact CE1-CG 4.16Å; F152-R365 HydrophobicContact CZ-CG 4.08Å; F152-I370 HydrophobicContact CB-CD1 3.9Å; F152-I370 HydrophobicContact CB-CG2 4.41Å; F152-I370 HydrophobicContact CD1-CD1 4.25Å; F152-I370 HydrophobicContact CD1-CG1 4.22Å; F152-I370 HydrophobicContact CD1-CG2 3.56Å; F152-I370 HydrophobicContact CD2-CD1 3.56Å; F152-I370 HydrophobicContact CD2-CG1 4.04Å; F152-I370 HydrophobicContact CE1-CG1 4.25Å; F152-I370 HydrophobicContact CE1-CG2 3.9Å; F152-I370 HydrophobicContact CE2-CD1 4.07Å; F152-I370 HydrophobicContact CE2-CG1 4.09Å; F152-I370 HydrophobicContact CG-CD1 3.66Å; F152-I370 HydrophobicContact CG-CG1 4.1Å; F152-I370 HydrophobicContact CG-CG2 4.03Å; F152-I370 HydrophobicContact CZ-CG1 4.2Å; F152-L374 VanDerWaalsContact O-CD1 3.29Å; F152-L374 WeakPolarHBondContact O-CD1 3.46Å; F152-W377 HydrophobicContact CD1-CB 4.22Å; F152-W377 AromaticContact CD2-CD1 3.67Å; F152-W377 HydrophobicContact CE1-CB 3.59Å; F152-W377 HydrophobicContact CE1-CG 4.23Å; F152-W377 HydrophobicContact CE2-CB 4.3Å; F152-W377 AromaticContact CE2-CD1 3.59Å; F152-W377 HydrophobicContact CE2-CG 4.14Å; F152-W377 AromaticContact CG-CD1 3.97Å; F152-W377 HydrophobicContact CZ-CB 3.63Å; F152-W377 AromaticContact CZ-CD1 3.82Å; F152-W377 AromaticContact CZ-CG 3.96Å; F152-W377 HydrophobicContact CZ-CG 3.96Å
153	S	98.9	Very high	98.6	Very high	4 Å²	4	35 Å²	35	3%	0.028	18%	0.181	C	C	.	.			trans	-69.6	144.6	173.3	-63.8	0	0	0	0	111.6	H79 L80 H81 E145 G149 V150	H79-S153 WeakPolarHBondContact O-CA 3.38Å; L80-S153 WeakPolarHBondContact CA-OG 3.35Å; H81-S153 PolarHBondContact N-OG 2.56Å; E145-S153 WeakPolarHBondContact CB-OG 3.5Å; E145-S153 PolarHBondContact O-OG 3.11Å; G149-S153 CarbonylContact C-O 3.48Å; G149-S153 WeakPolarHBondContact CA-O 3.25Å; G149-S153 PolarHBondContact N-O 2.77Å; V150-S153 VanDerWaalsContact O-CB 3.23Å; V150-S153 WeakPolarHBondContact O-CB 3.47Å; V150-S153 PolarHBondContact O-N 3.48Å
154	Y	98.8	Very high	98.6	Very high	42 Å²	42	35 Å²	35	17%	0.165	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	175.6	-176.5	71.3	-80.8	0	0	0	112.4	Y71 H79 L374	Y71-Y154 HydrophobicContact CD1-CD1 4.24Å; Y71-Y154 AromaticContact CD1-CE1 3.82Å; Y71-Y154 HydrophobicContact CD1-CE1 3.82Å; Y71-Y154 AromaticContact CE1-CD1 3.69Å; Y71-Y154 HydrophobicContact CE1-CD1 3.69Å; Y71-Y154 AromaticContact CE1-CE1 3.53Å; Y71-Y154 HydrophobicContact CE1-CE1 3.53Å; Y71-Y154 HydrophobicContact CG-CE1 4.48Å; H79-Y154 HydrophobicContact CB-CD1 3.96Å; H79-Y154 HydrophobicContact CB-CE1 3.59Å; H79-Y154 HydrophobicContact CB-CE2 4.26Å; H79-Y154 HydrophobicContact CB-CG 4.45Å; H79-Y154 AromaticContact CD2-CE2 3.66Å; H79-Y154 AromaticContact CD2-CZ 3.79Å; H79-Y154 AromaticContact CG-CZ 3.8Å; H79-Y154 PolarHBondContact N-O 3.26Å; H79-Y154 PolarHBondContact O-N 3.16Å; Y154-L374 HydrophobicContact CD1-CD1 3.78Å; Y154-L374 HydrophobicContact CD1-CD2 3.59Å; Y154-L374 HydrophobicContact CD1-CG 4.32Å; Y154-L374 HydrophobicContact CD2-CD2 4.09Å; Y154-L374 HydrophobicContact CE1-CD1 4.12Å; Y154-L374 HydrophobicContact CE1-CD2 4.15Å; Y154-L374 HydrophobicContact CG-CD2 3.55Å
155	S	98.6	Very high	98.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.3	165.3	66	0	0	0	0	110	S77 D157 K158 F159 Y160	S77-S155 WeakPolarHBondContact O-CA 3.5Å; S77-S155 WeakPolarHBondContact O-CB 3.17Å; S155-D157 WeakPolarHBondContact CB-OD1 3.35Å; S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 PolarHBondContact OG-OD1 3.37Å; S155-K158 PolarHBondContact O-N 2.97Å; S155-K158 VanDerWaalsContact O-N 3.11Å; S155-K158 WeakPolarHBondContact OG-CA 3.38Å; S155-K158 PolarHBondContact OG-N 2.9Å; S155-K158 VanDerWaalsContact OG-N 3.16Å; S155-F159 PolarHBondContact OG-N 3.3Å; S155-Y160 WeakPolarHBondContact OG-CE1 3.37Å
156	D	98.3	Very high	98.5	Very high	111 Å²	111	41 Å²	41	59%	0.594	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-38.5	-178.6	-62	-41.1	0	0	0	112.4	S77 H79	S77-D156 PolarHBondContact O-N 2.89Å; S77-D156 VanDerWaalsContact O-N 3.16Å; H79-D156 IonicContact NE2-OD1 3.75Å; H79-D156 IonicContact NE2-OD2 2.83Å
157	D	97.6	Very high	98.6	Very high	80 Å²	80	40.9 Å²	40.9	43%	0.428	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.7	-179.7	61.5	11.3	0	0	0	113.8	S77 S155 F159	S77-D157 PolarHBondContact OG-OD2 2.99Å; S155-D157 WeakPolarHBondContact CB-OD1 3.35Å; S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 PolarHBondContact OG-OD1 3.37Å; D157-F159 HydrophobicContact CB-CD2 3.59Å; D157-F159 HydrophobicContact CB-CE2 3.99Å; D157-F159 PolarHBondContact O-N 2.6Å; D157-F159 PolarHBondContact OD1-N 2.82Å
158	K	97.4	Very high	98.6	Very high	150 Å²	150	41 Å²	41	65%	0.652	21%	0.214	S	C	*	.			trans	55.9	26.7	-177.6	-52.6	177.9	-175	-179.7	0	113.9	S155 Y160	S155-K158 PolarHBondContact O-N 2.97Å; S155-K158 VanDerWaalsContact O-N 3.11Å; S155-K158 WeakPolarHBondContact OG-CA 3.38Å; S155-K158 PolarHBondContact OG-N 2.9Å; S155-K158 VanDerWaalsContact OG-N 3.16Å; K158-Y160 HydrophobicContact CB-CE2 4.38Å
159	F	97.6	Very high	98.6	Very high	163 Å²	163	44.1 Å²	44.1	72%	0.715	23%	0.228	S	C	*	.			trans	-91.3	108.9	172.6	-66.4	-56.8	0	0	0	110.7	S155 D157	S155-F159 PolarHBondContact OG-N 3.3Å; D157-F159 HydrophobicContact CB-CD2 3.59Å; D157-F159 HydrophobicContact CB-CE2 3.99Å; D157-F159 PolarHBondContact O-N 2.6Å; D157-F159 PolarHBondContact OD1-N 2.82Å
160	Y	98.3	Very high	98.6	Very high	40 Å²	40	44 Å²	44	16%	0.157	23%	0.226	C	C	.	.			trans	-107.5	2.1	-171.9	-51.7	-45.1	0	0	0	115	A148 S155 K158 T162	A148-Y160 HydrophobicContact CB-CD1 4.48Å; A148-Y160 WeakPolarHBondContact O-CD1 3.38Å; S155-Y160 WeakPolarHBondContact OG-CE1 3.37Å; K158-Y160 HydrophobicContact CB-CE2 4.38Å; Y160-T162 PolarHBondContact O-N 2.79Å
161	A	98.5	Very high	98.6	Very high	61 Å²	61	44 Å²	44	50%	0.504	23%	0.226	S	C	.	.			trans	-67.3	119	173.2	0	0	0	0	0	109.8	Q387	A161-Q387 HydrophobicContact CB-CB 3.87Å
162	T	98.7	Very high	98.6	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.08	23%	0.226	C	C	.	.			trans	-146.2	-175.5	-174.1	-164.4	0	0	0	0	112.6	P147 Y160 E166 V167 Y388 R389	P147-T162 HydrophobicContact CB-CG2 4.17Å; P147-T162 HydrophobicContact CG-CG2 3.9Å; Y160-T162 PolarHBondContact O-N 2.79Å; T162-E166 WeakPolarHBondContact CB-OE2 3.31Å; T162-E166 VanDerWaalsContact OG1-CD 3.3Å; T162-E166 PolarHBondContact OG1-OE2 3.23Å; T162-V167 HydrophobicContact CG2-CG2 3.63Å; T162-Y388 HydrophobicContact CG2-CD2 3.79Å; T162-Y388 HydrophobicContact CG2-CE2 3.75Å; T162-R389 PolarHBondContact O-N 3.22Å
163	N	98.8	Very high	98.6	Very high	36 Å²	36	47.3 Å²	47.3	19%	0.193	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-154.3	169.4	-176.1	66.6	71.3	0	0	0	111.8	T165 E166 V167 R389 L391	N163-T165 VanDerWaalsContact C-N 3.29Å; N163-T165 PolarHBondContact O-N 3.38Å; N163-T165 VanDerWaalsContact O-N 3.15Å; N163-T165 PolarHBondContact OD1-N 3.24Å; N163-T165 PolarHBondContact OD1-OG1 2.66Å; N163-E166 PolarHBondContact O-N 3.07Å; N163-E166 VanDerWaalsContact O-N 3.17Å; N163-E166 PolarHBondContact OD1-N 3.22Å; N163-E166 VanDerWaalsContact OD1-N 3.12Å; N163-V167 WeakPolarHBondContact O-CG2 3.31Å; N163-V167 PolarHBondContact O-N 3.44Å; N163-R389 VanDerWaalsContact CA-O 3.31Å; N163-R389 WeakPolarHBondContact CA-O 3.43Å; N163-R389 HydrophobicContact CB-CB 3.97Å; N163-R389 VanDerWaalsContact CB-O 3.23Å; N163-R389 WeakPolarHBondContact CB-O 3.42Å; N163-L391 HydrophobicContact CB-CD1 3.89Å; N163-L391 HydrophobicContact CB-CG 4.12Å; N163-L391 WeakPolarHBondContact OD1-CD1 3.19Å
164	D	98.8	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-53.3	-40.7	-175	-57.1	-36.5	0	0	0	114.5	A168 Y197 I200 Y388 L391 Y392	D164-A168 WeakPolarHBondContact O-CB 3.32Å; D164-A168 PolarHBondContact O-N 2.89Å; D164-Y197 PolarHBondContact OD1-OH 3.08Å; D164-I200 HydrophobicContact CB-CG2 4.27Å; D164-Y388 VanDerWaalsContact CA-OH 3.31Å; D164-Y388 WeakPolarHBondContact CA-OH 3.35Å; D164-Y388 PolarHBondContact N-OH 2.84Å; D164-Y388 WeakPolarHBondContact OD1-CE1 3.27Å; D164-Y388 PolarHBondContact OD1-OH 3.44Å; D164-L391 HydrophobicContact CB-CB 4.45Å; D164-L391 PolarHBondContact OD2-N 2.97Å; D164-Y392 HydrophobicContact CB-CD2 3.56Å; D164-Y392 HydrophobicContact CB-CE2 3.71Å; D164-Y392 PolarHBondContact OD2-N 3.07Å
165	T	98.8	Very high	98.6	Very high	68 Å²	68	45.2 Å²	45.2	42%	0.417	23%	0.23	S	C	.	.	H	α-helix	trans	-71.7	-40.3	-177.6	54.5	0	0	0	0	112.5	N163 Q169 L391 Y392	N163-T165 VanDerWaalsContact C-N 3.29Å; N163-T165 PolarHBondContact O-N 3.38Å; N163-T165 VanDerWaalsContact O-N 3.15Å; N163-T165 PolarHBondContact OD1-N 3.24Å; N163-T165 PolarHBondContact OD1-OG1 2.66Å; T165-Q169 WeakPolarHBondContact O-CB 3.41Å; T165-Q169 PolarHBondContact O-N 3.46Å; T165-Q169 VanDerWaalsContact O-N 3.12Å; T165-L391 HydrophobicContact CG2-CD1 3.96Å; T165-Y392 HydrophobicContact CG2-CE2 4.08Å; T165-Y392 WeakPolarHBondContact CG2-OH 3.33Å
166	E	98.8	Very high	98.6	Very high	60 Å²	60	49 Å²	49	28%	0.28	25%	0.247	S	C	.	.	H	α-helix	trans	-69.8	-39.5	178.6	-177	-179.5	-161.7	0	0	111.3	K78 T162 N163 Q169 S170	K78-E166 VanDerWaalsContact CE-OE1 3.31Å; K78-E166 WeakPolarHBondContact CE-OE1 3.38Å; K78-E166 IonicContact NZ-OE1 3.75Å; K78-E166 PolarHBondContact NZ-OE1 3.38Å; T162-E166 WeakPolarHBondContact CB-OE2 3.31Å; T162-E166 VanDerWaalsContact OG1-CD 3.3Å; T162-E166 PolarHBondContact OG1-OE2 3.23Å; N163-E166 PolarHBondContact O-N 3.07Å; N163-E166 VanDerWaalsContact O-N 3.17Å; N163-E166 PolarHBondContact OD1-N 3.22Å; N163-E166 VanDerWaalsContact OD1-N 3.12Å; E166-Q169 PolarHBondContact O-N 3.46Å; E166-S170 WeakPolarHBondContact O-CB 3.32Å; E166-S170 PolarHBondContact O-N 2.57Å
167	V	98.9	Very high	98.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-45.9	176.2	175.6	0	0	0	0	111.2	P147 T162 N163 Q169 S170 N171 Y201 Y388	P147-V167 HydrophobicContact CB-CG1 4.4Å; P147-V167 HydrophobicContact CB-CG2 3.75Å; P147-V167 HydrophobicContact CG-CG2 4.1Å; T162-V167 HydrophobicContact CG2-CG2 3.63Å; N163-V167 WeakPolarHBondContact O-CG2 3.31Å; N163-V167 PolarHBondContact O-N 3.44Å; V167-Q169 VanDerWaalsContact C-N 3.31Å; V167-Q169 PolarHBondContact O-N 3.1Å; V167-S170 PolarHBondContact O-N 2.89Å; V167-N171 WeakPolarHBondContact O-CB 2.94Å; V167-N171 VanDerWaalsContact O-CG 3.29Å; V167-N171 PolarHBondContact O-N 3.24Å; V167-N171 PolarHBondContact O-OD1 2.84Å; V167-Y201 HydrophobicContact CG1-CD1 3.98Å; V167-Y201 HydrophobicContact CG1-CE1 3.91Å; V167-Y388 HydrophobicContact CG2-CE2 3.84Å
168	A	98.9	Very high	98.7	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-45.7	176.5	0	0	0	0	0	111.6	D164 N171 F172 L208	D164-A168 WeakPolarHBondContact O-CB 3.32Å; D164-A168 PolarHBondContact O-N 2.89Å; A168-N171 PolarHBondContact O-N 2.81Å; A168-F172 WeakPolarHBondContact O-CB 3.45Å; A168-F172 PolarHBondContact O-N 3.41Å; A168-L208 HydrophobicContact CB-CD1 4.04Å; A168-L208 WeakPolarHBondContact O-CD1 3.06Å
169	Q	98.9	Very high	98.8	Very high	72 Å²	72	33.7 Å²	33.7	34%	0.336	17%	0.172	S	C	.	.	H	α-helix	trans	-65.6	-43.1	178.1	-176.2	59.1	41.9	0	0	112.3	T165 E166 V167 N171 F172 E173 L208	T165-Q169 WeakPolarHBondContact O-CB 3.41Å; T165-Q169 PolarHBondContact O-N 3.46Å; T165-Q169 VanDerWaalsContact O-N 3.12Å; E166-Q169 PolarHBondContact O-N 3.46Å; V167-Q169 VanDerWaalsContact C-N 3.31Å; V167-Q169 PolarHBondContact O-N 3.1Å; Q169-N171 VanDerWaalsContact C-N 3.34Å; Q169-N171 PolarHBondContact O-N 3.13Å; Q169-F172 WeakPolarHBondContact O-CB 3.41Å; Q169-F172 PolarHBondContact O-N 3.29Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.17Å; Q169-E173 PolarHBondContact NE2-OE1 2.91Å; Q169-E173 PolarHBondContact O-N 3.39Å; Q169-L208 HydrophobicContact CB-CD1 4.47Å
170	S	98.9	Very high	98.8	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-38	177.5	-170.5	0	0	0	0	112.2	G74 S75 E166 V167 A174	G74-S170 WeakPolarHBondContact CA-OG 3.47Å; S75-S170 PolarHBondContact N-OG 2.81Å; E166-S170 WeakPolarHBondContact O-CB 3.32Å; E166-S170 PolarHBondContact O-N 2.57Å; V167-S170 PolarHBondContact O-N 2.89Å; S170-A174 WeakPolarHBondContact O-CB 3.38Å; S170-A174 PolarHBondContact O-N 3.23Å
171	N	98.9	Very high	98.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-36.1	176.1	-71.7	6	0	0	0	111.5	S146 V167 A168 Q169 A174 L175 L205	S146-N171 WeakPolarHBondContact CB-OD1 3.41Å; S146-N171 VanDerWaalsContact OG-CG 3.3Å; S146-N171 PolarHBondContact OG-ND2 2.76Å; S146-N171 PolarHBondContact OG-OD1 3Å; V167-N171 WeakPolarHBondContact O-CB 2.94Å; V167-N171 VanDerWaalsContact O-CG 3.29Å; V167-N171 PolarHBondContact O-N 3.24Å; V167-N171 PolarHBondContact O-OD1 2.84Å; A168-N171 PolarHBondContact O-N 2.81Å; Q169-N171 VanDerWaalsContact C-N 3.34Å; Q169-N171 PolarHBondContact O-N 3.13Å; N171-A174 PolarHBondContact O-N 2.88Å; N171-L175 WeakPolarHBondContact O-CB 3.41Å; N171-L175 PolarHBondContact O-N 2.66Å; N171-L205 HydrophobicContact CB-CD1 4.06Å; N171-L205 HydrophobicContact CB-CD2 4.15Å
172	F	98.9	Very high	98.8	Very high	23 Å²	23	30.7 Å²	30.7	10%	0.101	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-47.1	174.1	175.5	-106.9	0	0	0	111.6	A168 Q169 L175 Q176 L205 L208 V209 D212 M215	A168-F172 WeakPolarHBondContact O-CB 3.45Å; A168-F172 PolarHBondContact O-N 3.41Å; Q169-F172 WeakPolarHBondContact O-CB 3.41Å; Q169-F172 PolarHBondContact O-N 3.29Å; F172-L175 PolarHBondContact O-N 3.43Å; F172-Q176 HydrophobicContact CE1-CG 4.31Å; F172-Q176 HydrophobicContact CE2-CG 4.47Å; F172-Q176 HydrophobicContact CZ-CG 4.18Å; F172-Q176 VanDerWaalsContact CZ-NE2 3.34Å; F172-Q176 WeakPolarHBondContact O-CG 3.31Å; F172-Q176 PolarHBondContact O-N 2.81Å; F172-L205 HydrophobicContact CB-CD1 3.78Å; F172-L208 HydrophobicContact CB-CB 4.19Å; F172-L208 HydrophobicContact CB-CD1 3.86Å; F172-L208 HydrophobicContact CD2-CB 3.89Å; F172-L208 HydrophobicContact CE2-CB 4.47Å; F172-L208 HydrophobicContact CG-CB 3.95Å; F172-L208 HydrophobicContact CG-CD1 4.32Å; F172-V209 HydrophobicContact CD2-CG2 3.92Å; F172-V209 HydrophobicContact CE2-CG2 4.39Å; F172-D212 HydrophobicContact CE2-CB 3.91Å; F172-D212 HydrophobicContact CZ-CB 3.92Å; F172-M215 HydrophobicContact CD2-CE 4.28Å; F172-M215 HydrophobicContact CE2-CE 3.89Å; F172-M215 HydrophobicContact CE2-SD 4.21Å
173	E	98.9	Very high	98.7	Very high	58 Å²	58	31.8 Å²	31.8	27%	0.271	15%	0.153	S	C	.	.	H	α-helix	trans	-63.8	-40.7	175.9	-72.7	173.3	-141.6	0	0	112.2	K73 S75 Q169 L175 Q176 D177	K73-E173 CarbonylContact O-C 3.45Å; S75-E173 WeakPolarHBondContact CA-OE2 3.45Å; S75-E173 WeakPolarHBondContact CB-OE2 3.49Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.17Å; Q169-E173 PolarHBondContact NE2-OE1 2.91Å; Q169-E173 PolarHBondContact O-N 3.39Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.12Å; E173-Q176 WeakPolarHBondContact O-CB 3.17Å; E173-Q176 PolarHBondContact O-N 3.06Å; E173-D177 PolarHBondContact O-N 2.99Å
174	A	98.9	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-39.1	173.5	0	0	0	0	0	111.8	L72 K73 L80 L144 S170 N171 D177 F178	L72-A174 HydrophobicContact CB-CB 3.77Å; L72-A174 HydrophobicContact CD1-CB 4.32Å; L72-A174 WeakPolarHBondContact CD1-O 3.49Å; K73-A174 WeakPolarHBondContact O-CA 3.36Å; K73-A174 PolarHBondContact O-N 2.81Å; L80-A174 HydrophobicContact CD1-CB 3.83Å; L144-A174 HydrophobicContact CD2-CB 4.34Å; S170-A174 WeakPolarHBondContact O-CB 3.38Å; S170-A174 PolarHBondContact O-N 3.23Å; N171-A174 PolarHBondContact O-N 2.88Å; A174-D177 CarbonylContact O-C 3.56Å; A174-D177 WeakPolarHBondContact O-CB 3.41Å; A174-D177 PolarHBondContact O-N 3.12Å; A174-F178 PolarHBondContact O-N 3.15Å
175	L	98.9	Very high	98.6	Very high	2 Å²	2	34 Å²	34	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-68.9	-35	176.2	-171.2	63.2	0	0	0	112.2	L142 N171 F172 E173 D177 F178 F179 L190 L192 V209 M215	L142-L175 HydrophobicContact CD2-CD1 4.38Å; N171-L175 WeakPolarHBondContact O-CB 3.41Å; N171-L175 PolarHBondContact O-N 2.66Å; F172-L175 PolarHBondContact O-N 3.43Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.12Å; L175-D177 VanDerWaalsContact C-N 3.3Å; L175-F178 HydrophobicContact CD1-CD1 4.33Å; L175-F178 WeakPolarHBondContact O-CB 3.34Å; L175-F178 PolarHBondContact O-N 2.83Å; L175-F179 HydrophobicContact CD1-CD2 4.41Å; L175-F179 HydrophobicContact CD1-CE2 3.84Å; L175-F179 HydrophobicContact CD1-CZ 4.4Å; L175-F179 HydrophobicContact CD2-CE2 4.38Å; L175-F179 HydrophobicContact CG-CD2 4.2Å; L175-F179 HydrophobicContact CG-CE2 3.8Å; L175-F179 WeakPolarHBondContact O-CD2 3.33Å; L175-F179 PolarHBondContact O-N 3.39Å; L175-F179 VanDerWaalsContact O-N 3.13Å; L175-L190 HydrophobicContact CD2-CD2 3.96Å; L175-L192 HydrophobicContact CD2-CD2 4.22Å; L175-V209 HydrophobicContact CD2-CG2 3.92Å; L175-M215 HydrophobicContact CB-CE 4.2Å; L175-M215 HydrophobicContact CD2-CE 4.2Å; L175-M215 HydrophobicContact CD2-SD 3.64Å; L175-M215 HydrophobicContact CG-CE 3.99Å; L175-M215 HydrophobicContact CG-SD 4Å
176	Q	98.8	Very high	98.6	Very high	82 Å²	82	35.1 Å²	35.1	38%	0.383	16%	0.161	S	C	.	.	H	α-helix	trans	-62.1	-40.5	169.3	-70.4	-178.1	-42.4	0	0	111.4	F172 E173 F179 R180 D212 M215	F172-Q176 HydrophobicContact CE1-CG 4.31Å; F172-Q176 HydrophobicContact CE2-CG 4.47Å; F172-Q176 HydrophobicContact CZ-CG 4.18Å; F172-Q176 VanDerWaalsContact CZ-NE2 3.34Å; F172-Q176 WeakPolarHBondContact O-CG 3.31Å; F172-Q176 PolarHBondContact O-N 2.81Å; E173-Q176 WeakPolarHBondContact O-CB 3.17Å; E173-Q176 PolarHBondContact O-N 3.06Å; Q176-F179 PolarHBondContact O-N 3.29Å; Q176-R180 PolarHBondContact O-N 3.22Å; Q176-R180 VanDerWaalsContact O-N 3.07Å; Q176-D212 PolarHBondContact NE2-OD2 2.86Å; Q176-M215 HydrophobicContact CB-CE 4.23Å; Q176-M215 HydrophobicContact CG-CE 3.37Å
177	D	98.8	Very high	98.5	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.048	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-42.7	174.7	-164.8	6.1	0	0	0	112.2	L72 K73 E173 A174 L175 F179 R180 L181	L72-D177 HydrophobicContact CB-CB 4.46Å; L72-D177 HydrophobicContact CD2-CB 4.48Å; K73-D177 VanDerWaalsContact CB-OD2 3.22Å; K73-D177 WeakPolarHBondContact CB-OD2 3.37Å; K73-D177 PolarHBondContact N-OD2 3.43Å; E173-D177 PolarHBondContact O-N 2.99Å; A174-D177 CarbonylContact O-C 3.56Å; A174-D177 WeakPolarHBondContact O-CB 3.41Å; A174-D177 PolarHBondContact O-N 3.12Å; L175-D177 VanDerWaalsContact C-N 3.3Å; D177-F179 VanDerWaalsContact C-N 3.31Å; D177-F179 PolarHBondContact O-N 2.65Å; D177-R180 CarbonylContact O-C 3.6Å; D177-R180 WeakPolarHBondContact O-CA 3.32Å; D177-R180 VanDerWaalsContact O-CB 3.29Å; D177-R180 WeakPolarHBondContact O-CB 3.38Å; D177-R180 PolarHBondContact O-N 2.97Å; D177-R180 IonicContact OD1-CZ 2.91Å; D177-R180 IonicContact OD1-NE 2.99Å; D177-R180 PolarHBondContact OD1-NE 2.92Å; D177-R180 IonicContact OD1-NH1 3.88Å; D177-R180 IonicContact OD1-NH2 2.56Å; D177-R180 PolarHBondContact OD1-NH2 2.65Å; D177-R180 IonicContact OD2-NH2 3.09Å; D177-R180 PolarHBondContact OD2-NH2 3.42Å; D177-R180 VanDerWaalsContact OD2-NH2 3.09Å; D177-L181 PolarHBondContact O-N 2.9Å
178	F	98.8	Very high	98.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54	-49.1	174.7	172.5	-99	0	0	0	111.2	L72 F84 V96 L142 A174 L175 R180 L181 F182 Y185	L72-F178 HydrophobicContact CD1-CB 3.82Å; L72-F178 HydrophobicContact CD2-CB 3.98Å; F84-F178 HydrophobicContact CB-CE2 4.5Å; F84-F178 HydrophobicContact CD1-CE2 4.27Å; F84-F178 AromaticContact CD2-CE2 3.9Å; F84-F178 HydrophobicContact CD2-CE2 3.9Å; F84-F178 AromaticContact CD2-CZ 3.99Å; F84-F178 HydrophobicContact CD2-CZ 3.99Å; F84-F178 HydrophobicContact CE1-CE2 4.47Å; F84-F178 HydrophobicContact CE1-CZ 4.34Å; F84-F178 HydrophobicContact CE2-CE2 4.08Å; F84-F178 AromaticContact CE2-CZ 3.68Å; F84-F178 HydrophobicContact CE2-CZ 3.68Å; F84-F178 AromaticContact CG-CE2 3.98Å; F84-F178 HydrophobicContact CG-CE2 3.98Å; F84-F178 HydrophobicContact CG-CZ 4.4Å; F84-F178 HydrophobicContact CZ-CE2 4.34Å; F84-F178 AromaticContact CZ-CZ 3.86Å; F84-F178 HydrophobicContact CZ-CZ 3.86Å; V96-F178 HydrophobicContact CG1-CE1 3.97Å; V96-F178 HydrophobicContact CG1-CZ 4.37Å; L142-F178 HydrophobicContact CD1-CD2 4Å; L142-F178 HydrophobicContact CD1-CE2 4.06Å; L142-F178 HydrophobicContact CD2-CB 4.36Å; L142-F178 HydrophobicContact CD2-CD1 4.27Å; L142-F178 HydrophobicContact CD2-CD2 3.82Å; L142-F178 HydrophobicContact CD2-CE2 4.18Å; L142-F178 HydrophobicContact CD2-CG 3.87Å; A174-F178 PolarHBondContact O-N 3.15Å; L175-F178 HydrophobicContact CD1-CD1 4.33Å; L175-F178 WeakPolarHBondContact O-CB 3.34Å; L175-F178 PolarHBondContact O-N 2.83Å; F178-R180 PolarHBondContact O-N 3.11Å; F178-L181 PolarHBondContact O-N 3Å; F178-F182 AromaticContact CD2-CD2 3.58Å; F178-F182 HydrophobicContact CD2-CD2 3.58Å; F178-F182 AromaticContact CD2-CE2 3.92Å; F178-F182 HydrophobicContact CD2-CE2 3.92Å; F178-F182 HydrophobicContact CD2-CG 4.46Å; F178-F182 HydrophobicContact CE2-CB 4.42Å; F178-F182 AromaticContact CE2-CD2 3.44Å; F178-F182 HydrophobicContact CE2-CD2 3.44Å; F178-F182 VanDerWaalsContact CE2-CD2 3.44Å; F178-F182 AromaticContact CE2-CE2 3.79Å; F178-F182 HydrophobicContact CE2-CE2 3.79Å; F178-F182 AromaticContact CE2-CG 3.97Å; F178-F182 HydrophobicContact CE2-CG 3.97Å; F178-F182 HydrophobicContact CG-CD2 4.38Å; F178-F182 HydrophobicContact CZ-CB 4.29Å; F178-F182 HydrophobicContact CZ-CD2 4.15Å; F178-F182 HydrophobicContact CZ-CG 4.27Å; F178-F182 WeakPolarHBondContact O-CD2 3.39Å; F178-F182 PolarHBondContact O-N 2.77Å; F178-Y185 HydrophobicContact CZ-CD2 4.25Å
179	F	98.6	Very high	98.5	Very high	11 Å²	11	44.3 Å²	44.3	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-71.1	-16.9	177.4	-70.9	-56.9	0	0	0	113.9	L175 Q176 D177 P183 K186 L190 M215	L175-F179 HydrophobicContact CD1-CD2 4.41Å; L175-F179 HydrophobicContact CD1-CE2 3.84Å; L175-F179 HydrophobicContact CD1-CZ 4.4Å; L175-F179 HydrophobicContact CD2-CE2 4.38Å; L175-F179 HydrophobicContact CG-CD2 4.2Å; L175-F179 HydrophobicContact CG-CE2 3.8Å; L175-F179 WeakPolarHBondContact O-CD2 3.33Å; L175-F179 PolarHBondContact O-N 3.39Å; L175-F179 VanDerWaalsContact O-N 3.13Å; Q176-F179 PolarHBondContact O-N 3.29Å; D177-F179 VanDerWaalsContact C-N 3.31Å; D177-F179 PolarHBondContact O-N 2.65Å; F179-P183 WeakPolarHBondContact O-CA 3.18Å; F179-K186 HydrophobicContact CB-CG 3.96Å; F179-K186 HydrophobicContact CD1-CG 4.16Å; F179-K186 HydrophobicContact CG-CG 4.33Å; F179-K186 WeakPolarHBondContact O-CE 3.05Å; F179-L190 HydrophobicContact CE2-CD2 4.19Å; F179-L190 HydrophobicContact CZ-CD1 4.24Å; F179-L190 HydrophobicContact CZ-CD2 4.22Å; F179-M215 HydrophobicContact CD2-CE 4.16Å; F179-M215 HydrophobicContact CD2-CG 4.15Å; F179-M215 HydrophobicContact CD2-SD 4.39Å; F179-M215 HydrophobicContact CE2-CE 4.43Å; F179-M215 HydrophobicContact CE2-CG 3.97Å; F179-M215 HydrophobicContact CE2-SD 4.11Å
180	R	98.2	Very high	98.5	Very high	159 Å²	159	40.9 Å²	40.9	60%	0.6	19%	0.191	S	C	*	.	H	α-helix	trans	-74.9	-42.5	168.9	178.9	-178.1	66	-155.5	12	111.1	Q176 D177 F178	Q176-R180 PolarHBondContact O-N 3.22Å; Q176-R180 VanDerWaalsContact O-N 3.07Å; D177-R180 CarbonylContact O-C 3.6Å; D177-R180 WeakPolarHBondContact O-CA 3.32Å; D177-R180 VanDerWaalsContact O-CB 3.29Å; D177-R180 WeakPolarHBondContact O-CB 3.38Å; D177-R180 PolarHBondContact O-N 2.97Å; D177-R180 IonicContact OD1-CZ 2.91Å; D177-R180 IonicContact OD1-NE 2.99Å; D177-R180 PolarHBondContact OD1-NE 2.92Å; D177-R180 IonicContact OD1-NH1 3.88Å; D177-R180 IonicContact OD1-NH2 2.56Å; D177-R180 PolarHBondContact OD1-NH2 2.65Å; D177-R180 IonicContact OD2-NH2 3.09Å; D177-R180 PolarHBondContact OD2-NH2 3.42Å; D177-R180 VanDerWaalsContact OD2-NH2 3.09Å; F178-R180 PolarHBondContact O-N 3.11Å
181	L	98.1	Very high	98.5	Very high	41 Å²	41	40.8 Å²	40.8	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-73.9	-34.8	179.1	-67.6	174.3	0	0	0	112.5	P48 L72 D177 F178 P183	P48-L181 WeakPolarHBondContact CD-O 3.39Å; P48-L181 HydrophobicContact CG-CB 4.22Å; L72-L181 HydrophobicContact CD2-CD1 3.72Å; D177-L181 PolarHBondContact O-N 2.9Å; F178-L181 PolarHBondContact O-N 3Å; L181-P183 VanDerWaalsContact O-CD 3.26Å; L181-P183 WeakPolarHBondContact O-CD 3.49Å
182	F	98.3	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.19	C	C	.	.			trans	-119.8	67.3	178.5	-57.6	-98.1	0	0	0	110.9	A47 P48 Y68 Y82 F84 F178 E184 Y185	A47-F182 HydrophobicContact CB-CD1 3.53Å; A47-F182 HydrophobicContact CB-CE1 3.53Å; P48-F182 HydrophobicContact CG-CE1 4.42Å; P48-F182 HydrophobicContact CG-CE2 4Å; P48-F182 HydrophobicContact CG-CZ 3.83Å; Y68-F182 HydrophobicContact CD1-CE1 4.15Å; Y68-F182 HydrophobicContact CD1-CZ 4.23Å; Y68-F182 AromaticContact CD2-CE1 3.79Å; Y68-F182 HydrophobicContact CD2-CE1 3.79Å; Y68-F182 HydrophobicContact CD2-CZ 4.13Å; Y68-F182 HydrophobicContact CE1-CE1 4.33Å; Y68-F182 AromaticContact CE2-CE1 3.97Å; Y68-F182 HydrophobicContact CE2-CE1 3.97Å; Y68-F182 AromaticContact CG-CE1 3.88Å; Y68-F182 HydrophobicContact CG-CE1 3.88Å; Y68-F182 AromaticContact CG-CZ 3.86Å; Y68-F182 HydrophobicContact CG-CZ 3.86Å; Y82-F182 AromaticContact CE2-CE2 3.99Å; Y82-F182 HydrophobicContact CE2-CE2 3.99Å; Y82-F182 HydrophobicContact CE2-CZ 4.06Å; Y82-F182 AromaticContact CZ-CE2 3.9Å; Y82-F182 WeakPolarHBondContact OH-CE2 3.38Å; Y82-F182 WeakPolarHBondContact OH-CZ 3.24Å; F84-F182 HydrophobicContact CD1-CD1 4.38Å; F84-F182 AromaticContact CD1-CE1 3.9Å; F84-F182 HydrophobicContact CD1-CE1 3.9Å; F84-F182 HydrophobicContact CD1-CZ 4.13Å; F84-F182 HydrophobicContact CE1-CD1 4.26Å; F84-F182 HydrophobicContact CE1-CE1 4.18Å; F178-F182 AromaticContact CD2-CD2 3.58Å; F178-F182 HydrophobicContact CD2-CD2 3.58Å; F178-F182 AromaticContact CD2-CE2 3.92Å; F178-F182 HydrophobicContact CD2-CE2 3.92Å; F178-F182 HydrophobicContact CD2-CG 4.46Å; F178-F182 HydrophobicContact CE2-CB 4.42Å; F178-F182 AromaticContact CE2-CD2 3.44Å; F178-F182 HydrophobicContact CE2-CD2 3.44Å; F178-F182 VanDerWaalsContact CE2-CD2 3.44Å; F178-F182 AromaticContact CE2-CE2 3.79Å; F178-F182 HydrophobicContact CE2-CE2 3.79Å; F178-F182 AromaticContact CE2-CG 3.97Å; F178-F182 HydrophobicContact CE2-CG 3.97Å; F178-F182 HydrophobicContact CG-CD2 4.38Å; F178-F182 HydrophobicContact CZ-CB 4.29Å; F178-F182 HydrophobicContact CZ-CD2 4.15Å; F178-F182 HydrophobicContact CZ-CG 4.27Å; F178-F182 WeakPolarHBondContact O-CD2 3.39Å; F178-F182 PolarHBondContact O-N 2.77Å; F182-E184 WeakPolarHBondContact CA-OE2 3.35Å; F182-E184 PolarHBondContact O-N 2.99Å; F182-E184 VanDerWaalsContact O-N 3.17Å; F182-Y185 HydrophobicContact CB-CD2 3.63Å; F182-Y185 HydrophobicContact CB-CE2 4.24Å; F182-Y185 HydrophobicContact CD1-CD2 4.22Å; F182-Y185 HydrophobicContact CD1-CE2 4.02Å; F182-Y185 HydrophobicContact CG-CD2 4.25Å; F182-Y185 HydrophobicContact CG-CE2 4.5Å; F182-Y185 PolarHBondContact O-N 2.89Å; F182-Y185 VanDerWaalsContact O-N 3.08Å
183	P	97.9	Very high	98.5	Very high	37 Å²	37	39.7 Å²	39.7	24%	0.24	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.7	-25.1	-175.3	26.3	-35.7	0	0	0	114.1	F179 L181 Y185 K186	F179-P183 WeakPolarHBondContact O-CA 3.18Å; L181-P183 VanDerWaalsContact O-CD 3.26Å; L181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-Y185 PolarHBondContact O-N 3.15Å; P183-K186 WeakPolarHBondContact O-CB 3.3Å; P183-K186 WeakPolarHBondContact O-CG 3.42Å; P183-K186 PolarHBondContact O-N 3.44Å
184	E	97.7	Very high	98.5	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-59.9	-26.6	174.9	61.7	-89.8	-143.9	0	0	113.1	A47 F182	A47-E184 WeakPolarHBondContact CB-OE1 3.38Å; A47-E184 PolarHBondContact N-OE1 3.03Å; F182-E184 WeakPolarHBondContact CA-OE2 3.35Å; F182-E184 PolarHBondContact O-N 2.99Å; F182-E184 VanDerWaalsContact O-N 3.17Å
185	Y	98.6	Very high	98.5	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.02	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-90.7	-4	-179.3	-66.5	-56.4	0	0	0	114.6	F84 E86 P91 V96 F178 F182 P183 N187 N188	F84-Y185 HydrophobicContact CE1-CD2 4.05Å; F84-Y185 AromaticContact CE1-CE2 3.41Å; F84-Y185 HydrophobicContact CE1-CE2 3.41Å; F84-Y185 VanDerWaalsContact CE1-CE2 3.41Å; F84-Y185 AromaticContact CE1-CZ 3.98Å; F84-Y185 AromaticContact CZ-CD2 3.82Å; F84-Y185 HydrophobicContact CZ-CD2 3.82Å; F84-Y185 AromaticContact CZ-CE2 3.5Å; F84-Y185 HydrophobicContact CZ-CE2 3.5Å; F84-Y185 VanDerWaalsContact CZ-CE2 3.5Å; F84-Y185 AromaticContact CZ-CZ 3.9Å; E86-Y185 WeakPolarHBondContact CG-OH 3.46Å; E86-Y185 PolarHBondContact OE1-OH 3.21Å; P91-Y185 WeakPolarHBondContact O-CE1 3.47Å; V96-Y185 HydrophobicContact CG2-CD1 4.13Å; V96-Y185 HydrophobicContact CG2-CG 4.03Å; F178-Y185 HydrophobicContact CZ-CD2 4.25Å; F182-Y185 HydrophobicContact CB-CD2 3.63Å; F182-Y185 HydrophobicContact CB-CE2 4.24Å; F182-Y185 HydrophobicContact CD1-CD2 4.22Å; F182-Y185 HydrophobicContact CD1-CE2 4.02Å; F182-Y185 HydrophobicContact CG-CD2 4.25Å; F182-Y185 HydrophobicContact CG-CE2 4.5Å; F182-Y185 PolarHBondContact O-N 2.89Å; F182-Y185 VanDerWaalsContact O-N 3.08Å; P183-Y185 PolarHBondContact O-N 3.15Å; Y185-N187 PolarHBondContact O-N 2.89Å; Y185-N187 VanDerWaalsContact O-N 3.11Å; Y185-N188 WeakPolarHBondContact O-CB 3.15Å; Y185-N188 PolarHBondContact O-N 2.97Å
186	K	97.1	Very high	98.5	Very high	92 Å²	92	37.5 Å²	37.5	40%	0.4	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.5	-178.4	-77.1	179.4	-175.7	-177.6	0	114	F179 P183	F179-K186 HydrophobicContact CB-CG 3.96Å; F179-K186 HydrophobicContact CD1-CG 4.16Å; F179-K186 HydrophobicContact CG-CG 4.33Å; F179-K186 WeakPolarHBondContact O-CE 3.05Å; P183-K186 WeakPolarHBondContact O-CB 3.3Å; P183-K186 WeakPolarHBondContact O-CG 3.42Å; P183-K186 PolarHBondContact O-N 3.44Å
187	N	98.1	Very high	98.5	Very high	139 Å²	139	33.6 Å²	33.6	74%	0.743	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.3	-175.4	-64.7	22.6	0	0	0	112.4	Y185 N216	Y185-N187 PolarHBondContact O-N 2.89Å; Y185-N187 VanDerWaalsContact O-N 3.11Å; N187-N216 PolarHBondContact O-ND2 2.89Å
188	N	98.8	Very high	98.5	Very high	16 Å²	16	33.2 Å²	33.2	9%	0.086	16%	0.155	C	C	.	.	S	Bend	trans	-65.3	147.7	178.8	-82.5	-82.5	0	0	0	110.3	E92 N93 S94 V96 Y185 L190 N216	E92-N188 PolarHBondContact O-ND2 2.92Å; E92-N188 PolarHBondContact O-OD1 3.2Å; E92-N188 VanDerWaalsContact O-OD1 3.11Å; N93-N188 VanDerWaalsContact C-OD1 3.24Å; N93-N188 WeakPolarHBondContact CA-OD1 3.46Å; S94-N188 PolarHBondContact O-OD1 2.86Å; V96-N188 HydrophobicContact CG2-CB 3.93Å; Y185-N188 WeakPolarHBondContact O-CB 3.15Å; Y185-N188 PolarHBondContact O-N 2.97Å; N188-L190 PolarHBondContact O-N 3.43Å; N188-N216 WeakPolarHBondContact O-CB 3.29Å
189	K	98.9	Very high	98.5	Very high	105 Å²	105	33.2 Å²	33.2	46%	0.457	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-61.2	122.8	176.8	-67.5	179.8	-173.8	158.2	0	108.8	P95 V96 F191 Q218	P95-K189 CarbonylContact C-O 3.47Å; P95-K189 VanDerWaalsContact CA-O 3.23Å; P95-K189 WeakPolarHBondContact CA-O 3.4Å; P95-K189 HydrophobicContact CB-CB 4.25Å; P95-K189 WeakPolarHBondContact CB-O 3.37Å; V96-K189 PolarHBondContact N-O 2.85Å; K189-F191 HydrophobicContact CB-CE2 3.95Å; K189-Q218 HydrophobicContact CB-CB 4.39Å; K189-Q218 HydrophobicContact CB-CG 3.65Å; K189-Q218 HydrophobicContact CD-CG 4.18Å; K189-Q218 HydrophobicContact CG-CG 3.72Å
190	L	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.4	178.4	174.1	66	0	0	0	110.4	V96 L175 F179 N188 L192 V209 M215 N216 L217 Q218	V96-L190 HydrophobicContact CB-CD1 4.3Å; V96-L190 HydrophobicContact CG1-CD1 4.06Å; V96-L190 CarbonylContact O-C 3.59Å; V96-L190 WeakPolarHBondContact O-CA 3.24Å; L175-L190 HydrophobicContact CD2-CD2 3.96Å; F179-L190 HydrophobicContact CE2-CD2 4.19Å; F179-L190 HydrophobicContact CZ-CD1 4.24Å; F179-L190 HydrophobicContact CZ-CD2 4.22Å; N188-L190 PolarHBondContact O-N 3.43Å; L190-L192 HydrophobicContact CD1-CD2 4.16Å; L190-L192 HydrophobicContact CD2-CD2 4.22Å; L190-L192 HydrophobicContact CG-CD2 4.19Å; L190-V209 HydrophobicContact CD2-CG1 4Å; L190-M215 HydrophobicContact CD2-CB 4.22Å; L190-M215 HydrophobicContact CD2-SD 4.43Å; L190-N216 PolarHBondContact N-O 3.26Å; L190-L217 HydrophobicContact CG-CD1 4.44Å; L190-Q218 PolarHBondContact O-N 2.95Å
191	F	98.9	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.3	168.1	-64.9	-96.7	0	0	0	110.5	P95 V96 V97 L98 K189 Q218 G219 F492 L493	P95-F191 HydrophobicContact CB-CD2 3.92Å; P95-F191 HydrophobicContact CB-CE2 3.97Å; P95-F191 HydrophobicContact CG-CE2 4.3Å; V96-F191 PolarHBondContact O-N 3.46Å; V97-F191 WeakPolarHBondContact CA-O 3.26Å; V97-F191 HydrophobicContact CG2-CB 4.27Å; L98-F191 PolarHBondContact N-O 3.41Å; K189-F191 HydrophobicContact CB-CE2 3.95Å; F191-Q218 HydrophobicContact CD1-CB 4.42Å; F191-Q218 HydrophobicContact CD2-CB 4.47Å; F191-Q218 HydrophobicContact CE1-CB 3.88Å; F191-Q218 HydrophobicContact CE2-CB 3.92Å; F191-Q218 HydrophobicContact CZ-CB 3.61Å; F191-G219 VanDerWaalsContact CA-O 3.32Å; F191-G219 WeakPolarHBondContact CA-O 3.32Å; F191-F492 HydrophobicContact CB-CE1 4.35Å; F191-F492 HydrophobicContact CD1-CD1 4.41Å; F191-F492 AromaticContact CD1-CE1 3.39Å; F191-F492 HydrophobicContact CD1-CE1 3.39Å; F191-F492 AromaticContact CD1-CZ 3.48Å; F191-F492 HydrophobicContact CD1-CZ 3.48Å; F191-F492 VanDerWaalsContact CD1-CZ 3.48Å; F191-F492 AromaticContact CE1-CE1 3.89Å; F191-F492 HydrophobicContact CE1-CE1 3.89Å; F191-F492 AromaticContact CE1-CZ 3.89Å; F191-F492 HydrophobicContact CE1-CZ 3.89Å; F191-F492 HydrophobicContact CG-CE1 4.1Å; F191-L493 HydrophobicContact CB-CD2 4.31Å; F191-L493 HydrophobicContact CD1-CD2 4.05Å; F191-L493 HydrophobicContact CD2-CD2 3.46Å; F191-L493 VanDerWaalsContact CD2-CD2 3.46Å; F191-L493 HydrophobicContact CE1-CD2 4.17Å; F191-L493 HydrophobicContact CE2-CD2 3.61Å; F191-L493 HydrophobicContact CG-CD2 3.68Å; F191-L493 HydrophobicContact CZ-CD2 3.96Å
192	L	99	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114	177.6	-54.3	176.1	0	0	0	108.6	L98 L175 L190 I202 L205 A206 V209 L217 G219 L220 A221	L98-L192 HydrophobicContact CB-CD2 4.01Å; L98-L192 HydrophobicContact CD2-CD2 3.83Å; L175-L192 HydrophobicContact CD2-CD2 4.22Å; L190-L192 HydrophobicContact CD1-CD2 4.16Å; L190-L192 HydrophobicContact CD2-CD2 4.22Å; L190-L192 HydrophobicContact CG-CD2 4.19Å; L192-I202 HydrophobicContact CB-CD1 4.18Å; L192-I202 HydrophobicContact CB-CG2 3.98Å; L192-I202 WeakPolarHBondContact O-CG2 3.34Å; L192-L205 HydrophobicContact CD1-CD2 4.37Å; L192-L205 HydrophobicContact CD1-CG 4.14Å; L192-L205 HydrophobicContact CD2-CD2 4.27Å; L192-A206 HydrophobicContact CD1-CB 3.77Å; L192-V209 HydrophobicContact CD1-CB 4.33Å; L192-V209 HydrophobicContact CD1-CG2 4.12Å; L192-L217 HydrophobicContact CD1-CD1 3.85Å; L192-L217 HydrophobicContact CG-CD1 3.77Å; L192-G219 PolarHBondContact N-O 2.79Å; L192-G219 VanDerWaalsContact N-O 3.1Å; L192-L220 HydrophobicContact CB-CB 4.34Å; L192-L220 CarbonylContact O-C 3.57Å; L192-L220 WeakPolarHBondContact O-CA 3.37Å; L192-L220 WeakPolarHBondContact O-CB 3.28Å; L192-A221 PolarHBondContact O-N 2.8Å; L192-A221 VanDerWaalsContact O-N 3.07Å
193	T	99	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	156.1	-176.9	65.5	0	0	0	0	112.1	V97 L98 W99 L100 I202 A221 F492	V97-T193 HydrophobicContact CG1-CG2 3.9Å; V97-T193 WeakPolarHBondContact CG1-OG1 3.28Å; L98-T193 CarbonylContact O-C 3.59Å; L98-T193 WeakPolarHBondContact O-CA 3.29Å; L98-T193 PolarHBondContact O-N 2.69Å; L98-T193 PolarHBondContact O-OG1 2.99Å; W99-T193 CarbonylContact C-O 3.48Å; W99-T193 WeakPolarHBondContact CA-O 3.39Å; L100-T193 PolarHBondContact N-O 3.31Å; T193-I202 WeakPolarHBondContact O-CD1 3.47Å; T193-A221 WeakPolarHBondContact CA-O 3.41Å; T193-A221 HydrophobicContact CG2-CB 3.85Å; T193-F492 HydrophobicContact CG2-CE1 4.48Å
194	G	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	177.2	177.3	0	0	0	0	0	113.2	L100 A221 V222 G223	L100-G194 CarbonylContact O-C 3.6Å; L100-G194 WeakPolarHBondContact O-CA 3.29Å; G194-A221 PolarHBondContact N-O 3.16Å; G194-V222 WeakPolarHBondContact O-CA 3.47Å; G194-G223 PolarHBondContact O-N 3.27Å
195	E	98.9	Very high	98.8	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.019	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.1	-174.9	-167.7	170.4	100.6	0	0	113.2	W99 L100 G102 Y197 A198 G223 H475 M476	W99-E195 HydrophobicContact CH2-CB 3.88Å; W99-E195 HydrophobicContact CZ2-CB 3.86Å; L100-E195 PolarHBondContact O-N 2.85Å; G102-E195 PolarHBondContact N-O 3.38Å; E195-Y197 PolarHBondContact O-N 3.15Å; E195-A198 WeakPolarHBondContact O-CB 3.47Å; E195-A198 PolarHBondContact O-N 3.45Å; E195-G223 CarbonylContact C-O 3.55Å; E195-G223 VanDerWaalsContact CA-O 3.26Å; E195-G223 WeakPolarHBondContact CA-O 3.23Å; E195-G223 WeakPolarHBondContact CG-O 3.23Å; E195-H475 IonicContact OE1-CD2 2.77Å; E195-H475 VanDerWaalsContact OE2-O 3.08Å; E195-M476 WeakPolarHBondContact OE1-CA 3.27Å; E195-M476 WeakPolarHBondContact OE1-CG 3.29Å
196	S	98.7	Very high	98.8	Very high	11 Å²	11	17.9 Å²	17.9	8%	0.077	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	-123	168.4	-165.8	0	0	0	0	112.6	A198 G199 G223 N224 G225 L226 H475	S196-A198 PolarHBondContact O-N 2.81Å; S196-A198 VanDerWaalsContact O-N 3.09Å; S196-G199 PolarHBondContact O-N 2.95Å; S196-G223 PolarHBondContact N-O 2.97Å; S196-N224 VanDerWaalsContact CA-O 3.22Å; S196-N224 WeakPolarHBondContact CA-O 3.42Å; S196-N224 PolarHBondContact N-O 3.15Å; S196-G225 WeakPolarHBondContact O-CA 3.3Å; S196-L226 PolarHBondContact O-N 3.23Å; S196-H475 WeakPolarHBondContact CB-NE2 3.5Å; S196-H475 PolarHBondContact OG-CE1 3.3Å; S196-H475 PolarHBondContact OG-NE2 2.87Å
197	Y	98.9	Very high	98.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.6	174.2	-158.8	-88.4	0	0	0	113	P104 D164 E195 G199 I200 Y201 L226 Y229 Y388 R390	P104-Y197 HydrophobicContact CB-CD1 3.87Å; P104-Y197 HydrophobicContact CB-CE1 4Å; P104-Y197 HydrophobicContact CB-CG 4.21Å; P104-Y197 HydrophobicContact CG-CD1 4.42Å; P104-Y197 HydrophobicContact CG-CD2 4.39Å; P104-Y197 HydrophobicContact CG-CE1 4.36Å; P104-Y197 HydrophobicContact CG-CE2 4.27Å; P104-Y197 HydrophobicContact CG-CG 4.45Å; D164-Y197 PolarHBondContact OD1-OH 3.08Å; E195-Y197 PolarHBondContact O-N 3.15Å; Y197-G199 PolarHBondContact O-N 3.22Å; Y197-G199 VanDerWaalsContact O-N 3.15Å; Y197-I200 HydrophobicContact CD1-CB 4.26Å; Y197-I200 HydrophobicContact CD1-CG1 4.47Å; Y197-I200 HydrophobicContact CD2-CG1 4.48Å; Y197-I200 HydrophobicContact CE1-CB 3.94Å; Y197-I200 HydrophobicContact CE1-CG1 4.17Å; Y197-I200 HydrophobicContact CE1-CG2 4.21Å; Y197-I200 HydrophobicContact CE2-CG1 4.22Å; Y197-I200 WeakPolarHBondContact O-CB 3.43Å; Y197-I200 PolarHBondContact O-N 3.42Å; Y197-Y201 AromaticContact CD1-CD1 4Å; Y197-Y201 HydrophobicContact CD1-CD1 4Å; Y197-Y201 HydrophobicContact CD1-CD2 4.48Å; Y197-Y201 AromaticContact CD1-CE1 3.41Å; Y197-Y201 HydrophobicContact CD1-CE1 3.41Å; Y197-Y201 VanDerWaalsContact CD1-CE1 3.41Å; Y197-Y201 AromaticContact CD1-CE2 3.96Å; Y197-Y201 HydrophobicContact CD1-CE2 3.96Å; Y197-Y201 AromaticContact CD1-CZ 3.4Å; Y197-Y201 HydrophobicContact CE1-CD1 4.09Å; Y197-Y201 AromaticContact CE1-CE1 3.48Å; Y197-Y201 HydrophobicContact CE1-CE1 3.48Å; Y197-Y201 VanDerWaalsContact CE1-CE1 3.48Å; Y197-Y201 AromaticContact CE1-CZ 3.92Å; Y197-Y201 PolarHBondContact O-N 2.74Å; Y197-L226 HydrophobicContact CD2-CD2 3.86Å; Y197-L226 HydrophobicContact CE2-CD2 4.03Å; Y197-Y229 VanDerWaalsContact CE2-OH 3.29Å; Y197-Y229 WeakPolarHBondContact CE2-OH 3.25Å; Y197-Y388 AromaticContact CE1-CE1 3.98Å; Y197-Y388 HydrophobicContact CE1-CE1 3.98Å; Y197-Y388 AromaticContact CZ-CE1 3.94Å; Y197-Y388 WeakPolarHBondContact OH-CE1 3.15Å; Y197-R390 HydrophobicContact CE2-CG 4.17Å; Y197-R390 VanDerWaalsContact OH-CG 3.32Å; Y197-R390 WeakPolarHBondContact OH-CG 3.46Å
198	A	98.9	Very high	98.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.5	-13.6	167.5	0	0	0	0	0	112.9	L100 E195 S196 I200 Y201 I202	L100-A198 HydrophobicContact CB-CB 4.1Å; L100-A198 WeakPolarHBondContact O-CB 3.39Å; E195-A198 WeakPolarHBondContact O-CB 3.47Å; E195-A198 PolarHBondContact O-N 3.45Å; S196-A198 PolarHBondContact O-N 2.81Å; S196-A198 VanDerWaalsContact O-N 3.09Å; A198-I200 PolarHBondContact O-N 2.89Å; A198-Y201 HydrophobicContact CB-CD2 3.97Å; A198-Y201 PolarHBondContact O-N 2.46Å; A198-Y201 VanDerWaalsContact O-N 3.15Å; A198-I202 HydrophobicContact CB-CG1 4.08Å; A198-I202 VanDerWaalsContact O-CB 3.29Å; A198-I202 WeakPolarHBondContact O-CB 3.19Å; A198-I202 VanDerWaalsContact O-CG1 3.3Å; A198-I202 WeakPolarHBondContact O-CG1 3.42Å; A198-I202 PolarHBondContact O-N 2.76Å
199	G	98.9	Very high	98.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.9	-21.2	162.9	0	0	0	0	0	114.1	S196 Y197 P203 V222 M395	S196-G199 PolarHBondContact O-N 2.95Å; Y197-G199 PolarHBondContact O-N 3.22Å; Y197-G199 VanDerWaalsContact O-N 3.15Å; G199-P203 WeakPolarHBondContact O-CD 3.45Å; G199-P203 VanDerWaalsContact O-CG 3.25Å; G199-P203 WeakPolarHBondContact O-CG 3.32Å; G199-V222 VanDerWaalsContact CA-CG1 3.48Å; G199-M395 VanDerWaalsContact O-CG 3.29Å; G199-M395 WeakPolarHBondContact O-CG 3.28Å
200	I	98.9	Very high	98.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-91.2	-45.8	167.1	-55	-66	0	0	0	111.1	D164 Y197 A198 T204 L226 M395	D164-I200 HydrophobicContact CB-CG2 4.27Å; Y197-I200 HydrophobicContact CD1-CB 4.26Å; Y197-I200 HydrophobicContact CD1-CG1 4.47Å; Y197-I200 HydrophobicContact CD2-CG1 4.48Å; Y197-I200 HydrophobicContact CE1-CB 3.94Å; Y197-I200 HydrophobicContact CE1-CG1 4.17Å; Y197-I200 HydrophobicContact CE1-CG2 4.21Å; Y197-I200 HydrophobicContact CE2-CG1 4.22Å; Y197-I200 WeakPolarHBondContact O-CB 3.43Å; Y197-I200 PolarHBondContact O-N 3.42Å; A198-I200 PolarHBondContact O-N 2.89Å; I200-T204 WeakPolarHBondContact O-CB 3.48Å; I200-T204 WeakPolarHBondContact O-CG2 3.17Å; I200-T204 PolarHBondContact O-N 3.18Å; I200-T204 PolarHBondContact O-OG1 3.45Å; I200-L226 WeakPolarHBondContact CD1-O 3.23Å; I200-M395 HydrophobicContact CB-SD 4.49Å; I200-M395 HydrophobicContact CD1-CE 3.67Å; I200-M395 HydrophobicContact CD1-CG 3.91Å; I200-M395 HydrophobicContact CD1-SD 4.03Å; I200-M395 HydrophobicContact CG2-CE 4.12Å; I200-M395 HydrophobicContact CG2-SD 4.3Å
201	Y	98.9	Very high	98.9	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-62.5	-45.6	-175.9	-56.1	-35.3	0	0	0	113.1	P104 V167 Y197 A198 T204 L205 Y388	P104-Y201 VanDerWaalsContact CA-OH 3.26Å; P104-Y201 WeakPolarHBondContact CA-OH 3.25Å; P104-Y201 WeakPolarHBondContact CB-OH 3.28Å; V167-Y201 HydrophobicContact CG1-CD1 3.98Å; V167-Y201 HydrophobicContact CG1-CE1 3.91Å; Y197-Y201 AromaticContact CD1-CD1 4Å; Y197-Y201 HydrophobicContact CD1-CD1 4Å; Y197-Y201 HydrophobicContact CD1-CD2 4.48Å; Y197-Y201 AromaticContact CD1-CE1 3.41Å; Y197-Y201 HydrophobicContact CD1-CE1 3.41Å; Y197-Y201 VanDerWaalsContact CD1-CE1 3.41Å; Y197-Y201 AromaticContact CD1-CE2 3.96Å; Y197-Y201 HydrophobicContact CD1-CE2 3.96Å; Y197-Y201 AromaticContact CD1-CZ 3.4Å; Y197-Y201 HydrophobicContact CE1-CD1 4.09Å; Y197-Y201 AromaticContact CE1-CE1 3.48Å; Y197-Y201 HydrophobicContact CE1-CE1 3.48Å; Y197-Y201 VanDerWaalsContact CE1-CE1 3.48Å; Y197-Y201 AromaticContact CE1-CZ 3.92Å; Y197-Y201 PolarHBondContact O-N 2.74Å; A198-Y201 HydrophobicContact CB-CD2 3.97Å; A198-Y201 PolarHBondContact O-N 2.46Å; A198-Y201 VanDerWaalsContact O-N 3.15Å; Y201-T204 PolarHBondContact O-OG1 3.48Å; Y201-L205 WeakPolarHBondContact O-CB 3.38Å; Y201-L205 PolarHBondContact O-N 3.44Å; Y201-Y388 HydrophobicContact CE1-CE2 4.44Å; Y201-Y388 WeakPolarHBondContact CE1-OH 3.41Å
202	I	98.9	Very high	98.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-68.2	-49.5	-172.2	-64.3	-65.6	0	0	0	111.4	L100 L192 T193 A198 T204 L205 A206 L220 V222	L100-I202 HydrophobicContact CB-CD1 4.31Å; L100-I202 HydrophobicContact CD1-CD1 3.84Å; L100-I202 HydrophobicContact CG-CD1 4.2Å; L192-I202 HydrophobicContact CB-CD1 4.18Å; L192-I202 HydrophobicContact CB-CG2 3.98Å; L192-I202 WeakPolarHBondContact O-CG2 3.34Å; T193-I202 WeakPolarHBondContact O-CD1 3.47Å; A198-I202 HydrophobicContact CB-CG1 4.08Å; A198-I202 VanDerWaalsContact O-CB 3.29Å; A198-I202 WeakPolarHBondContact O-CB 3.19Å; A198-I202 VanDerWaalsContact O-CG1 3.3Å; A198-I202 WeakPolarHBondContact O-CG1 3.42Å; A198-I202 PolarHBondContact O-N 2.76Å; I202-T204 VanDerWaalsContact C-N 3.34Å; I202-T204 PolarHBondContact O-N 3.41Å; I202-L205 PolarHBondContact O-N 2.85Å; I202-A206 WeakPolarHBondContact O-CB 3.2Å; I202-A206 PolarHBondContact O-N 3.12Å; I202-L220 HydrophobicContact CG2-CB 3.77Å; I202-L220 HydrophobicContact CG2-CD1 3.97Å; I202-L220 HydrophobicContact CG2-CG 4.5Å; I202-V222 HydrophobicContact CB-CG2 4.04Å; I202-V222 HydrophobicContact CG2-CG2 4.01Å
203	P	98.9	Very high	98.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.1	-34	178.3	-22.6	36.2	0	0	0	113	G199 V207 M395 Q398 Y399	G199-P203 WeakPolarHBondContact O-CD 3.45Å; G199-P203 VanDerWaalsContact O-CG 3.25Å; G199-P203 WeakPolarHBondContact O-CG 3.32Å; P203-V207 WeakPolarHBondContact O-CG2 3.45Å; P203-V207 PolarHBondContact O-N 2.64Å; P203-V207 VanDerWaalsContact O-N 3.15Å; P203-M395 HydrophobicContact CB-CB 4.41Å; P203-M395 HydrophobicContact CB-CG 4.4Å; P203-M395 HydrophobicContact CB-SD 4.03Å; P203-M395 HydrophobicContact CG-CB 4.37Å; P203-M395 HydrophobicContact CG-CG 4.18Å; P203-M395 HydrophobicContact CG-SD 4.26Å; P203-Q398 HydrophobicContact CB-CB 3.71Å; P203-Q398 HydrophobicContact CB-CG 4.37Å; P203-Y399 HydrophobicContact CB-CD2 4.3Å; P203-Y399 HydrophobicContact CB-CE2 4.02Å; P203-Y399 HydrophobicContact CG-CD2 4.2Å; P203-Y399 HydrophobicContact CG-CE1 4.47Å; P203-Y399 HydrophobicContact CG-CE2 3.43Å; P203-Y399 VanDerWaalsContact CG-CE2 3.43Å
204	T	98.9	Very high	98.7	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.043	14%	0.135	C	C	.	.	H	α-helix	trans	-69.4	-43.5	176.8	52.5	0	0	0	0	111.7	I200 Y201 I202 V207 Y392 M395 Q398	I200-T204 WeakPolarHBondContact O-CB 3.48Å; I200-T204 WeakPolarHBondContact O-CG2 3.17Å; I200-T204 PolarHBondContact O-N 3.18Å; I200-T204 PolarHBondContact O-OG1 3.45Å; Y201-T204 PolarHBondContact O-OG1 3.48Å; I202-T204 VanDerWaalsContact C-N 3.34Å; I202-T204 PolarHBondContact O-N 3.41Å; T204-V207 PolarHBondContact O-N 3.32Å; T204-Y392 HydrophobicContact CG2-CD2 3.95Å; T204-Y392 HydrophobicContact CG2-CE2 3.69Å; T204-M395 HydrophobicContact CG2-CE 4.38Å; T204-M395 HydrophobicContact CG2-SD 4.06Å; T204-Q398 HydrophobicContact CG2-CG 4.22Å
205	L	98.9	Very high	98.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-46.3	172.2	175.7	59.6	0	0	0	111.8	L98 L100 N171 F172 L192 Y201 I202 V207 L208 V209	L98-L205 HydrophobicContact CD2-CD2 3.49Å; L98-L205 VanDerWaalsContact CD2-CD2 3.49Å; L100-L205 HydrophobicContact CD1-CD2 4.48Å; N171-L205 HydrophobicContact CB-CD1 4.06Å; N171-L205 HydrophobicContact CB-CD2 4.15Å; F172-L205 HydrophobicContact CB-CD1 3.78Å; L192-L205 HydrophobicContact CD1-CD2 4.37Å; L192-L205 HydrophobicContact CD1-CG 4.14Å; L192-L205 HydrophobicContact CD2-CD2 4.27Å; Y201-L205 WeakPolarHBondContact O-CB 3.38Å; Y201-L205 PolarHBondContact O-N 3.44Å; I202-L205 PolarHBondContact O-N 2.85Å; L205-V207 PolarHBondContact O-N 2.93Å; L205-L208 WeakPolarHBondContact O-CA 3.5Å; L205-L208 WeakPolarHBondContact O-CB 3.17Å; L205-L208 PolarHBondContact O-N 3.48Å; L205-V209 HydrophobicContact CD1-CG2 3.93Å; L205-V209 HydrophobicContact CG-CG2 4.11Å; L205-V209 WeakPolarHBondContact O-CG2 3.21Å; L205-V209 PolarHBondContact O-N 2.99Å
206	A	98.9	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59	-34.6	-179.9	0	0	0	0	0	112.1	L192 I202 L208 V209 M210 L220 L402	L192-A206 HydrophobicContact CD1-CB 3.77Å; I202-A206 WeakPolarHBondContact O-CB 3.2Å; I202-A206 PolarHBondContact O-N 3.12Å; A206-L208 VanDerWaalsContact C-N 3.29Å; A206-L208 PolarHBondContact O-N 3.21Å; A206-V209 PolarHBondContact O-N 2.93Å; A206-M210 WeakPolarHBondContact O-CB 3.3Å; A206-M210 WeakPolarHBondContact O-CG 3.16Å; A206-M210 PolarHBondContact O-N 3.47Å; A206-L220 HydrophobicContact CB-CD2 4.17Å; A206-L402 HydrophobicContact CB-CD1 3.82Å; A206-L402 HydrophobicContact CB-CD2 3.8Å; A206-L402 HydrophobicContact CB-CG 4.46Å
207	V	98.9	Very high	98.7	Very high	20 Å²	20	26.3 Å²	26.3	12%	0.121	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-28.9	174.1	166.8	0	0	0	0	112.6	P203 T204 L205 M210 Q211 Q398 K401 L402	P203-V207 WeakPolarHBondContact O-CG2 3.45Å; P203-V207 PolarHBondContact O-N 2.64Å; P203-V207 VanDerWaalsContact O-N 3.15Å; T204-V207 PolarHBondContact O-N 3.32Å; L205-V207 PolarHBondContact O-N 2.93Å; V207-M210 HydrophobicContact CG2-SD 4.44Å; V207-M210 WeakPolarHBondContact O-CG 3.48Å; V207-Q211 WeakPolarHBondContact O-CG 3.4Å; V207-Q211 PolarHBondContact O-NE2 3.47Å; V207-Q398 HydrophobicContact CG2-CB 4.07Å; V207-Q398 HydrophobicContact CG2-CG 4.19Å; V207-K401 HydrophobicContact CG1-CD 3.9Å; V207-K401 HydrophobicContact CG2-CD 4.27Å; V207-L402 HydrophobicContact CG2-CD1 4.43Å; V207-L402 HydrophobicContact CG2-CG 4.2Å
208	L	98.9	Very high	98.7	Very high	42 Å²	42	28.5 Å²	28.5	22%	0.22	16%	0.16	C	C	.	.	H	α-helix	trans	-77.5	-48.5	171.8	-61	177.3	0	0	0	110.7	A168 Q169 F172 L205 A206 M210 Q211	A168-L208 HydrophobicContact CB-CD1 4.04Å; A168-L208 WeakPolarHBondContact O-CD1 3.06Å; Q169-L208 HydrophobicContact CB-CD1 4.47Å; F172-L208 HydrophobicContact CB-CB 4.19Å; F172-L208 HydrophobicContact CB-CD1 3.86Å; F172-L208 HydrophobicContact CD2-CB 3.89Å; F172-L208 HydrophobicContact CE2-CB 4.47Å; F172-L208 HydrophobicContact CG-CB 3.95Å; F172-L208 HydrophobicContact CG-CD1 4.32Å; L205-L208 WeakPolarHBondContact O-CA 3.5Å; L205-L208 WeakPolarHBondContact O-CB 3.17Å; L205-L208 PolarHBondContact O-N 3.48Å; A206-L208 VanDerWaalsContact C-N 3.29Å; A206-L208 PolarHBondContact O-N 3.21Å; L208-M210 VanDerWaalsContact C-N 3.31Å; L208-M210 PolarHBondContact O-N 3.3Å; L208-Q211 WeakPolarHBondContact O-CB 3.48Å; L208-Q211 PolarHBondContact O-N 3.08Å
209	V	98.9	Very high	98.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-39.2	180	175.4	0	0	0	0	112	F172 L175 L190 L192 L205 A206 Q211 D212 M215 L217	F172-V209 HydrophobicContact CD2-CG2 3.92Å; F172-V209 HydrophobicContact CE2-CG2 4.39Å; L175-V209 HydrophobicContact CD2-CG2 3.92Å; L190-V209 HydrophobicContact CD2-CG1 4Å; L192-V209 HydrophobicContact CD1-CB 4.33Å; L192-V209 HydrophobicContact CD1-CG2 4.12Å; L205-V209 HydrophobicContact CD1-CG2 3.93Å; L205-V209 HydrophobicContact CG-CG2 4.11Å; L205-V209 WeakPolarHBondContact O-CG2 3.21Å; L205-V209 PolarHBondContact O-N 2.99Å; A206-V209 PolarHBondContact O-N 2.93Å; V209-Q211 PolarHBondContact O-N 3.48Å; V209-D212 PolarHBondContact O-N 3.45Å; V209-M215 HydrophobicContact CB-SD 4.36Å; V209-M215 HydrophobicContact CG1-CB 3.87Å; V209-M215 HydrophobicContact CG1-CG 4.48Å; V209-M215 HydrophobicContact CG1-SD 3.79Å; V209-M215 HydrophobicContact CG2-SD 3.97Å; V209-L217 HydrophobicContact CB-CD2 4.3Å; V209-L217 HydrophobicContact CG1-CB 3.86Å; V209-L217 HydrophobicContact CG1-CD1 4.28Å; V209-L217 HydrophobicContact CG1-CD2 3.94Å; V209-L217 HydrophobicContact CG1-CG 4.24Å
210	M	98.6	Very high	98.7	Very high	44 Å²	44	28.5 Å²	28.5	22%	0.217	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.2	177.7	72.4	174.3	-61.8	0	0	114.2	A206 V207 L208 L217 K401 L402 Y408	A206-M210 WeakPolarHBondContact O-CB 3.3Å; A206-M210 WeakPolarHBondContact O-CG 3.16Å; A206-M210 PolarHBondContact O-N 3.47Å; V207-M210 HydrophobicContact CG2-SD 4.44Å; V207-M210 WeakPolarHBondContact O-CG 3.48Å; L208-M210 VanDerWaalsContact C-N 3.31Å; L208-M210 PolarHBondContact O-N 3.3Å; M210-L217 HydrophobicContact CB-CD2 4.39Å; M210-K401 HydrophobicContact SD-CD 4.45Å; M210-K401 HydrophobicContact SD-CG 4.13Å; M210-L402 HydrophobicContact CB-CD2 4.37Å; M210-L402 HydrophobicContact CG-CD2 4.44Å; M210-L402 HydrophobicContact SD-CD2 3.82Å; M210-L402 HydrophobicContact SD-CG 4.47Å; M210-Y408 HydrophobicContact CB-CE2 3.97Å; M210-Y408 WeakPolarHBondContact CB-OH 3.35Å; M210-Y408 HydrophobicContact CE-CE2 4.23Å
211	Q	98.6	Very high	98.7	Very high	119 Å²	119	28.6 Å²	28.6	56%	0.556	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.7	177.2	-62.6	174.4	62.3	0	0	112.1	V207 L208 V209 P213	V207-Q211 WeakPolarHBondContact O-CG 3.4Å; V207-Q211 PolarHBondContact O-NE2 3.47Å; L208-Q211 WeakPolarHBondContact O-CB 3.48Å; L208-Q211 PolarHBondContact O-N 3.08Å; V209-Q211 PolarHBondContact O-N 3.48Å; Q211-P213 WeakPolarHBondContact O-CD 3.31Å
212	D	98.4	Very high	98.7	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.144	16%	0.161	C	C	.	.			trans	-99.1	102	177.4	-168	-25.2	0	0	0	110	F172 Q176 V209 S214 M215	F172-D212 HydrophobicContact CE2-CB 3.91Å; F172-D212 HydrophobicContact CZ-CB 3.92Å; Q176-D212 PolarHBondContact NE2-OD2 2.86Å; V209-D212 PolarHBondContact O-N 3.45Å; D212-S214 PolarHBondContact O-N 2.89Å; D212-S214 VanDerWaalsContact O-N 3.13Å; D212-S214 VanDerWaalsContact OD1-CB 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.43Å; D212-S214 PolarHBondContact OD1-N 3.08Å; D212-S214 PolarHBondContact OD1-OG 3.01Å; D212-M215 HydrophobicContact CB-CG 4.49Å; D212-M215 PolarHBondContact O-N 3.26Å
213	P	97.3	Very high	98.7	Very high	132 Å²	132	28.5 Å²	28.5	86%	0.857	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.1	-178	30.8	-36.6	0	0	0	113.4	Q211 M215	Q211-P213 WeakPolarHBondContact O-CD 3.31Å; P213-M215 VanDerWaalsContact C-N 3.31Å
214	S	97.9	Very high	98.7	Very high	81 Å²	81	28.5 Å²	28.5	57%	0.566	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.7	175.8	75.1	0	0	0	0	112.9	D212	D212-S214 PolarHBondContact O-N 2.89Å; D212-S214 VanDerWaalsContact O-N 3.13Å; D212-S214 VanDerWaalsContact OD1-CB 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.43Å; D212-S214 PolarHBondContact OD1-N 3.08Å; D212-S214 PolarHBondContact OD1-OG 3.01Å
215	M	98.6	Very high	98.7	Very high	11 Å²	11	28.3 Å²	28.3	5%	0.054	16%	0.16	C	C	.	.	S	Bend	trans	-95.8	120.1	176.5	-64	-170.5	-172.7	0	0	110.5	F172 L175 Q176 F179 L190 V209 D212 P213 L217	F172-M215 HydrophobicContact CD2-CE 4.28Å; F172-M215 HydrophobicContact CE2-CE 3.89Å; F172-M215 HydrophobicContact CE2-SD 4.21Å; L175-M215 HydrophobicContact CB-CE 4.2Å; L175-M215 HydrophobicContact CD2-CE 4.2Å; L175-M215 HydrophobicContact CD2-SD 3.64Å; L175-M215 HydrophobicContact CG-CE 3.99Å; L175-M215 HydrophobicContact CG-SD 4Å; Q176-M215 HydrophobicContact CB-CE 4.23Å; Q176-M215 HydrophobicContact CG-CE 3.37Å; F179-M215 HydrophobicContact CD2-CE 4.16Å; F179-M215 HydrophobicContact CD2-CG 4.15Å; F179-M215 HydrophobicContact CD2-SD 4.39Å; F179-M215 HydrophobicContact CE2-CE 4.43Å; F179-M215 HydrophobicContact CE2-CG 3.97Å; F179-M215 HydrophobicContact CE2-SD 4.11Å; L190-M215 HydrophobicContact CD2-CB 4.22Å; L190-M215 HydrophobicContact CD2-SD 4.43Å; V209-M215 HydrophobicContact CB-SD 4.36Å; V209-M215 HydrophobicContact CG1-CB 3.87Å; V209-M215 HydrophobicContact CG1-CG 4.48Å; V209-M215 HydrophobicContact CG1-SD 3.79Å; V209-M215 HydrophobicContact CG2-SD 3.97Å; D212-M215 HydrophobicContact CB-CG 4.49Å; D212-M215 PolarHBondContact O-N 3.26Å; P213-M215 VanDerWaalsContact C-N 3.31Å; M215-L217 PolarHBondContact O-N 3.07Å
216	N	98.6	Very high	98.7	Very high	58 Å²	58	28.3 Å²	28.3	31%	0.31	16%	0.16	S	C	.	.			trans	-79.4	60.6	-178.3	-173.2	13.7	0	0	0	112.6	N187 N188 L190 Q218	N187-N216 PolarHBondContact O-ND2 2.89Å; N188-N216 WeakPolarHBondContact O-CB 3.29Å; L190-N216 PolarHBondContact N-O 3.26Å; N216-Q218 PolarHBondContact O-N 3.17Å; N216-Q218 PolarHBondContact OD1-NE2 3.18Å
217	L	98.9	Very high	98.7	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.052	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123.7	179.9	-177.7	65.6	0	0	0	111.7	L190 L192 V209 M210 M215 Y408	L190-L217 HydrophobicContact CG-CD1 4.44Å; L192-L217 HydrophobicContact CD1-CD1 3.85Å; L192-L217 HydrophobicContact CG-CD1 3.77Å; V209-L217 HydrophobicContact CB-CD2 4.3Å; V209-L217 HydrophobicContact CG1-CB 3.86Å; V209-L217 HydrophobicContact CG1-CD1 4.28Å; V209-L217 HydrophobicContact CG1-CD2 3.94Å; V209-L217 HydrophobicContact CG1-CG 4.24Å; M210-L217 HydrophobicContact CB-CD2 4.39Å; M215-L217 PolarHBondContact O-N 3.07Å; L217-Y408 HydrophobicContact CB-CE1 4.14Å; L217-Y408 HydrophobicContact CD2-CD1 4.13Å; L217-Y408 HydrophobicContact CD2-CE1 3.93Å; L217-Y408 HydrophobicContact CG-CD1 3.97Å; L217-Y408 HydrophobicContact CG-CE1 3.98Å; L217-Y408 WeakPolarHBondContact O-CD1 3.22Å; L217-Y408 WeakPolarHBondContact O-CE1 3.25Å
218	Q	98.9	Very high	98.7	Very high	45 Å²	45	27.9 Å²	27.9	21%	0.21	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-20.7	-178.4	-68	-60.3	-52.3	0	0	113.9	K189 L190 F191 N216 Y408 Q409	K189-Q218 HydrophobicContact CB-CB 4.39Å; K189-Q218 HydrophobicContact CB-CG 3.65Å; K189-Q218 HydrophobicContact CD-CG 4.18Å; K189-Q218 HydrophobicContact CG-CG 3.72Å; L190-Q218 PolarHBondContact O-N 2.95Å; F191-Q218 HydrophobicContact CD1-CB 4.42Å; F191-Q218 HydrophobicContact CD2-CB 4.47Å; F191-Q218 HydrophobicContact CE1-CB 3.88Å; F191-Q218 HydrophobicContact CE2-CB 3.92Å; F191-Q218 HydrophobicContact CZ-CB 3.61Å; N216-Q218 PolarHBondContact O-N 3.17Å; N216-Q218 PolarHBondContact OD1-NE2 3.18Å; Q218-Y408 WeakPolarHBondContact O-CA 3.31Å; Q218-Q409 PolarHBondContact O-N 2.92Å
219	G	98.8	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	175.5	-179.2	0	0	0	0	0	114.4	F191 L192 Q409	F191-G219 VanDerWaalsContact CA-O 3.32Å; F191-G219 WeakPolarHBondContact CA-O 3.32Å; L192-G219 PolarHBondContact N-O 2.79Å; L192-G219 VanDerWaalsContact N-O 3.1Å; G219-Q409 CarbonylContact C-O 3.46Å; G219-Q409 WeakPolarHBondContact CA-O 3.31Å
220	L	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.6	172.4	56.2	135	0	0	0	111.5	L192 I202 A206 Y399 L402 Q409 I410 L411 F492	L192-L220 HydrophobicContact CB-CB 4.34Å; L192-L220 CarbonylContact O-C 3.57Å; L192-L220 WeakPolarHBondContact O-CA 3.37Å; L192-L220 WeakPolarHBondContact O-CB 3.28Å; I202-L220 HydrophobicContact CG2-CB 3.77Å; I202-L220 HydrophobicContact CG2-CD1 3.97Å; I202-L220 HydrophobicContact CG2-CG 4.5Å; A206-L220 HydrophobicContact CB-CD2 4.17Å; L220-Y399 HydrophobicContact CD1-CE1 3.8Å; L220-L402 HydrophobicContact CD2-CD1 3.94Å; L220-Q409 PolarHBondContact N-O 3.15Å; L220-I410 HydrophobicContact CD1-CG2 4.08Å; L220-I410 HydrophobicContact CD2-CD1 4.14Å; L220-I410 HydrophobicContact CD2-CG1 3.91Å; L220-I410 HydrophobicContact CG-CG1 4.11Å; L220-I410 HydrophobicContact CG-CG2 4.14Å; L220-I410 CarbonylContact O-C 3.48Å; L220-I410 WeakPolarHBondContact O-CA 3.46Å; L220-L411 PolarHBondContact O-N 2.91Å; L220-F492 WeakPolarHBondContact O-CZ 3.12Å
221	A	99	Very high	98.7	Very high	2 Å²	2	30 Å²	30	2%	0.017	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131	174.4	0	0	0	0	0	110.9	L192 T193 G194 L411 Y413 F492	L192-A221 PolarHBondContact O-N 2.8Å; L192-A221 VanDerWaalsContact O-N 3.07Å; T193-A221 WeakPolarHBondContact CA-O 3.41Å; T193-A221 HydrophobicContact CG2-CB 3.85Å; G194-A221 PolarHBondContact N-O 3.16Å; A221-L411 CarbonylContact C-O 3.48Å; A221-L411 WeakPolarHBondContact CA-O 3.25Å; A221-L411 HydrophobicContact CB-CB 4Å; A221-L411 HydrophobicContact CB-CD2 4.29Å; A221-L411 HydrophobicContact CB-CG 4.46Å; A221-Y413 HydrophobicContact CB-CD1 4.48Å; A221-Y413 HydrophobicContact CB-CE1 4.18Å; A221-F492 HydrophobicContact CB-CD1 4.32Å; A221-F492 HydrophobicContact CB-CE1 3.92Å; A221-F492 HydrophobicContact CB-CE2 4.21Å; A221-F492 HydrophobicContact CB-CZ 3.85Å
222	V	98.9	Very high	98.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.6	-179.4	179.2	0	0	0	0	109.8	G194 G199 I202 L411 L412 Y413	G194-V222 WeakPolarHBondContact O-CA 3.47Å; G199-V222 VanDerWaalsContact CA-CG1 3.48Å; I202-V222 HydrophobicContact CB-CG2 4.04Å; I202-V222 HydrophobicContact CG2-CG2 4.01Å; V222-L411 PolarHBondContact N-O 2.86Å; V222-L412 WeakPolarHBondContact O-CA 3.29Å; V222-Y413 WeakPolarHBondContact O-CD1 3.37Å; V222-Y413 PolarHBondContact O-N 3.01Å
223	G	98.9	Very high	98.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.3	172.8	0	0	0	0	0	111.5	G194 E195 S196 G225 Y413	G194-G223 PolarHBondContact O-N 3.27Å; E195-G223 CarbonylContact C-O 3.55Å; E195-G223 VanDerWaalsContact CA-O 3.26Å; E195-G223 WeakPolarHBondContact CA-O 3.23Å; E195-G223 WeakPolarHBondContact CG-O 3.23Å; S196-G223 PolarHBondContact N-O 2.97Å; G223-G225 PolarHBondContact O-N 2.71Å; G223-Y413 CarbonylContact C-O 3.33Å; G223-Y413 VanDerWaalsContact CA-O 3.25Å; G223-Y413 WeakPolarHBondContact CA-O 3.41Å
224	N	98.8	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	40.4	54	172.8	-73.8	73.9	0	0	0	112.2	S196 Y413 N414 G415 D418 C421 H475 V477	S196-N224 VanDerWaalsContact CA-O 3.22Å; S196-N224 WeakPolarHBondContact CA-O 3.42Å; S196-N224 PolarHBondContact N-O 3.15Å; N224-Y413 PolarHBondContact N-O 2.78Å; N224-N414 WeakPolarHBondContact CA-ND2 3.32Å; N224-N414 WeakPolarHBondContact OD1-CA 3.25Å; N224-G415 PolarHBondContact ND2-N 3.35Å; N224-G415 PolarHBondContact ND2-O 3.43Å; N224-G415 PolarHBondContact OD1-N 2.97Å; N224-D418 WeakPolarHBondContact ND2-CB 3.29Å; N224-D418 PolarHBondContact ND2-OD2 3.24Å; N224-C421 HydrophobicContact CB-CB 4.2Å; N224-C421 PolarHBondContact ND2-O 2.89Å; N224-C421 WeakPolarHBondContact O-CB 3.42Å; N224-C421 PolarHBondContact O-SG 3.35Å; N224-H475 PolarHBondContact OD1-O 3.28Å; N224-V477 WeakPolarHBondContact OD1-CG2 3.4Å
225	G	98.7	Very high	98.8	Very high	2 Å²	2	14.1 Å²	14.1	2%	0.021	7%	0.071	C	C	.	.			trans	-87.4	146	-162.1	0	0	0	0	0	113.9	S196 G223 S227 D426	S196-G225 WeakPolarHBondContact O-CA 3.3Å; G223-G225 PolarHBondContact O-N 2.71Å; G225-S227 PolarHBondContact O-N 3.01Å; G225-D426 PolarHBondContact N-OD2 3Å
226	L	98.9	Very high	98.8	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.068	C	C	.	.			trans	-80.2	84.5	165.7	-173.4	59	0	0	0	110.9	S196 Y197 I200 Y229 N232 N321	S196-L226 PolarHBondContact O-N 3.23Å; Y197-L226 HydrophobicContact CD2-CD2 3.86Å; Y197-L226 HydrophobicContact CE2-CD2 4.03Å; I200-L226 WeakPolarHBondContact CD1-O 3.23Å; L226-Y229 HydrophobicContact CD1-CD1 4.32Å; L226-Y229 HydrophobicContact CD1-CG 4.38Å; L226-Y229 HydrophobicContact CD2-CD1 4.13Å; L226-Y229 HydrophobicContact CD2-CD2 4.46Å; L226-Y229 HydrophobicContact CD2-CE1 3.55Å; L226-Y229 HydrophobicContact CD2-CE2 3.9Å; L226-Y229 HydrophobicContact CG-CE1 4.47Å; L226-Y229 HydrophobicContact CG-CE2 4.32Å; L226-N232 HydrophobicContact CD1-CB 4.15Å; L226-N321 HydrophobicContact CD2-CB 3.96Å
227	S	98.8	Very high	98.9	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.007	5%	0.054	C	C	.	.	S	Bend	trans	-89.3	-27.5	-178.4	-52.2	0	0	0	0	113.9	G225 S394 M395 L412 D426 F429	G225-S227 PolarHBondContact O-N 3.01Å; S227-S394 CarbonylContact O-C 3.56Å; S227-S394 VanDerWaalsContact O-CA 3.26Å; S227-S394 WeakPolarHBondContact O-CA 3.29Å; S227-S394 PolarHBondContact O-OG 3.46Å; S227-M395 PolarHBondContact O-N 2.89Å; S227-L412 WeakPolarHBondContact OG-CD2 3.22Å; S227-D426 WeakPolarHBondContact CB-OD1 3.18Å; S227-D426 PolarHBondContact OG-OD1 2.93Å; S227-F429 VanDerWaalsContact CB-CD1 3.45Å
228	S	98.9	Very high	98.8	Very high	9 Å²	9	12.5 Å²	12.5	6%	0.063	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-157.5	121.7	174.7	178	0	0	0	0	110.2	E230 Q231 N232	S228-E230 VanDerWaalsContact C-N 3.29Å; S228-E230 PolarHBondContact O-N 3Å; S228-Q231 PolarHBondContact O-N 3.25Å; S228-Q231 PolarHBondContact OG-N 3.17Å; S228-N232 WeakPolarHBondContact O-CB 3.45Å; S228-N232 PolarHBondContact O-N 3.36Å
229	Y	98.8	Very high	98.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.7	-40.8	177.9	-71	-97.4	0	0	0	111.7	Y197 L226 N232 D233 N321 T324 R390 Y392 R393	Y197-Y229 VanDerWaalsContact CE2-OH 3.29Å; Y197-Y229 WeakPolarHBondContact CE2-OH 3.25Å; L226-Y229 HydrophobicContact CD1-CD1 4.32Å; L226-Y229 HydrophobicContact CD1-CG 4.38Å; L226-Y229 HydrophobicContact CD2-CD1 4.13Å; L226-Y229 HydrophobicContact CD2-CD2 4.46Å; L226-Y229 HydrophobicContact CD2-CE1 3.55Å; L226-Y229 HydrophobicContact CD2-CE2 3.9Å; L226-Y229 HydrophobicContact CG-CE1 4.47Å; L226-Y229 HydrophobicContact CG-CE2 4.32Å; Y229-N232 PolarHBondContact O-N 3.02Å; Y229-D233 VanDerWaalsContact O-CB 3.29Å; Y229-D233 WeakPolarHBondContact O-CB 3.22Å; Y229-D233 VanDerWaalsContact O-CG 3.29Å; Y229-D233 PolarHBondContact O-N 3Å; Y229-N321 WeakPolarHBondContact CD1-O 3.13Å; Y229-N321 HydrophobicContact CE1-CB 4.46Å; Y229-N321 VanDerWaalsContact CE1-O 3.31Å; Y229-N321 WeakPolarHBondContact CE1-O 3.31Å; Y229-T324 HydrophobicContact CD1-CG2 4.36Å; Y229-T324 HydrophobicContact CE1-CG2 4.21Å; Y229-R390 VanDerWaalsContact OH-CD 3.27Å; Y229-R390 WeakPolarHBondContact OH-CD 3.46Å; Y229-R390 WeakPolarHBondContact OH-CG 3.19Å; Y229-Y392 WeakPolarHBondContact CE2-O 3.49Å; Y229-R393 WeakPolarHBondContact CD2-O 3.21Å; Y229-R393 PolarHBondContact N-O 3.24Å
230	E	98.8	Very high	98.8	Very high	99 Å²	99	10.4 Å²	10.4	46%	0.463	5%	0.05	S	C	.	.	H	α-helix	trans	-65	-45.8	-179	178.8	178.9	-176.6	0	0	111.7	S228 N234 Y267	S228-E230 VanDerWaalsContact C-N 3.29Å; S228-E230 PolarHBondContact O-N 3Å; E230-N234 WeakPolarHBondContact CG-ND2 3.26Å; E230-N234 VanDerWaalsContact O-CB 3.24Å; E230-N234 WeakPolarHBondContact O-CB 3.43Å; E230-N234 PolarHBondContact O-N 2.82Å; E230-N234 PolarHBondContact O-ND2 2.75Å; E230-Y267 HydrophobicContact CB-CD1 3.75Å; E230-Y267 HydrophobicContact CB-CD2 4.16Å; E230-Y267 HydrophobicContact CB-CE1 3.94Å; E230-Y267 HydrophobicContact CB-CE2 4.36Å; E230-Y267 HydrophobicContact CB-CG 3.84Å; E230-Y267 HydrophobicContact CG-CD1 3.76Å; E230-Y267 HydrophobicContact CG-CE1 4.36Å; E230-Y267 HydrophobicContact CG-CG 3.93Å
231	Q	98.8	Very high	98.8	Very high	33 Å²	33	12.7 Å²	12.7	15%	0.154	6%	0.059	C	C	.	.	H	α-helix	trans	-70.8	-37	-179.2	-59.9	-169.2	51.4	0	0	111	S228 S235 W428 F429 S432	S228-Q231 PolarHBondContact O-N 3.25Å; S228-Q231 PolarHBondContact OG-N 3.17Å; Q231-S235 WeakPolarHBondContact O-CB 3.47Å; Q231-S235 PolarHBondContact O-N 2.9Å; Q231-S235 PolarHBondContact O-OG 3.34Å; Q231-W428 PolarHBondContact OE1-O 2.99Å; Q231-F429 VanDerWaalsContact OE1-CA 3.25Å; Q231-S432 PolarHBondContact NE2-OG 3.39Å
232	N	98.9	Very high	98.8	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-51.9	174.7	179.1	-110.5	0	0	0	112.1	L226 S228 Y229 N234 S235 L236 A420 C421	L226-N232 HydrophobicContact CD1-CB 4.15Å; S228-N232 WeakPolarHBondContact O-CB 3.45Å; S228-N232 PolarHBondContact O-N 3.36Å; Y229-N232 PolarHBondContact O-N 3.02Å; N232-N234 PolarHBondContact O-N 3Å; N232-S235 PolarHBondContact O-N 3.48Å; N232-S235 PolarHBondContact O-OG 3Å; N232-L236 VanDerWaalsContact O-CB 3.26Å; N232-L236 WeakPolarHBondContact O-CB 3.44Å; N232-L236 PolarHBondContact O-N 2.9Å; N232-A420 PolarHBondContact ND2-O 2.75Å; N232-A420 VanDerWaalsContact ND2-O 3.13Å; N232-A420 PolarHBondContact OD1-O 3.2Å; N232-C421 WeakPolarHBondContact ND2-CA 3.31Å
233	D	98.8	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-44	179.5	-74.9	-11.6	0	0	0	111.3	Y229 Y267 F323	Y229-D233 VanDerWaalsContact O-CB 3.29Å; Y229-D233 WeakPolarHBondContact O-CB 3.22Å; Y229-D233 VanDerWaalsContact O-CG 3.29Å; Y229-D233 PolarHBondContact O-N 3Å; D233-Y267 HydrophobicContact CB-CD2 4.22Å; D233-Y267 WeakPolarHBondContact OD2-CD2 3.19Å; D233-F323 HydrophobicContact CB-CD1 3.95Å; D233-F323 HydrophobicContact CB-CE1 4.04Å; D233-F323 VanDerWaalsContact CG-N 3.29Å; D233-F323 PolarHBondContact OD1-N 3.2Å; D233-F323 WeakPolarHBondContact OD2-CA 3.14Å; D233-F323 PolarHBondContact OD2-N 2.94Å; D233-F323 VanDerWaalsContact OD2-N 3.14Å
234	N	98.9	Very high	98.8	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-52	178.3	-74.4	-32.9	0	0	0	111.8	E230 N232 L236 V237 Y238 F266 Y267 W428	E230-N234 WeakPolarHBondContact CG-ND2 3.26Å; E230-N234 VanDerWaalsContact O-CB 3.24Å; E230-N234 WeakPolarHBondContact O-CB 3.43Å; E230-N234 PolarHBondContact O-N 2.82Å; E230-N234 PolarHBondContact O-ND2 2.75Å; N232-N234 PolarHBondContact O-N 3Å; N234-L236 VanDerWaalsContact C-N 3.28Å; N234-L236 PolarHBondContact O-N 2.93Å; N234-V237 PolarHBondContact O-N 3.07Å; N234-Y238 VanDerWaalsContact O-CD2 3.24Å; N234-Y238 WeakPolarHBondContact O-CD2 3.44Å; N234-F266 WeakPolarHBondContact OD1-CA 3.48Å; N234-F266 WeakPolarHBondContact OD1-CB 3.21Å; N234-F266 PolarHBondContact OD1-N 3.16Å; N234-Y267 PolarHBondContact OD1-N 3.44Å; N234-W428 HydrophobicContact CB-CZ3 4.2Å
235	S	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-33.1	-178.9	56.5	0	0	0	0	112.5	Q231 N232 V237 Y238 F239 N422 G425	Q231-S235 WeakPolarHBondContact O-CB 3.47Å; Q231-S235 PolarHBondContact O-N 2.9Å; Q231-S235 PolarHBondContact O-OG 3.34Å; N232-S235 PolarHBondContact O-N 3.48Å; N232-S235 PolarHBondContact O-OG 3Å; S235-V237 VanDerWaalsContact C-N 3.34Å; S235-V237 PolarHBondContact O-N 3.15Å; S235-Y238 PolarHBondContact O-N 3.44Å; S235-F239 WeakPolarHBondContact O-CB 3.47Å; S235-F239 PolarHBondContact O-N 3.4Å; S235-N422 WeakPolarHBondContact CB-OD1 3.42Å; S235-N422 PolarHBondContact OG-ND2 3.37Å; S235-N422 PolarHBondContact OG-OD1 3.21Å; S235-G425 WeakPolarHBondContact OG-CA 3.3Å; S235-G425 PolarHBondContact OG-N 3.36Å
236	L	98.9	Very high	98.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-40.5	178	176.9	55.5	0	0	0	112.6	N232 N234 F239 A240 V285 I322 F323 M419 N422	N232-L236 VanDerWaalsContact O-CB 3.26Å; N232-L236 WeakPolarHBondContact O-CB 3.44Å; N232-L236 PolarHBondContact O-N 2.9Å; N234-L236 VanDerWaalsContact C-N 3.28Å; N234-L236 PolarHBondContact O-N 2.93Å; L236-F239 WeakPolarHBondContact O-CB 3.11Å; L236-F239 PolarHBondContact O-N 2.83Å; L236-A240 WeakPolarHBondContact O-CB 3.14Å; L236-A240 PolarHBondContact O-N 2.76Å; L236-V285 HydrophobicContact CD1-CG1 4.16Å; L236-V285 HydrophobicContact CD2-CG1 4.36Å; L236-I322 HydrophobicContact CD2-CD1 4.41Å; L236-I322 HydrophobicContact CD2-CG2 3.57Å; L236-F323 HydrophobicContact CD2-CE2 4.13Å; L236-F323 HydrophobicContact CD2-CZ 3.94Å; L236-F323 HydrophobicContact CG-CZ 4.39Å; L236-M419 HydrophobicContact CD1-CB 3.9Å; L236-M419 WeakPolarHBondContact CD1-O 3.49Å; L236-N422 PolarHBondContact N-ND2 2.91Å
237	V	98.8	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-40	179	-176.5	0	0	0	0	111.1	N234 S235 Y241 L246 W251 L254 F266 L278 V281 F323	N234-V237 PolarHBondContact O-N 3.07Å; S235-V237 VanDerWaalsContact C-N 3.34Å; S235-V237 PolarHBondContact O-N 3.15Å; V237-Y241 PolarHBondContact O-N 3.13Å; V237-L246 HydrophobicContact CG1-CD1 4.41Å; V237-W251 HydrophobicContact CG1-CZ3 4.3Å; V237-L254 HydrophobicContact CG1-CD1 3.92Å; V237-L254 HydrophobicContact CG1-CD2 4.49Å; V237-F266 HydrophobicContact CB-CB 4.33Å; V237-F266 HydrophobicContact CB-CD1 4.47Å; V237-F266 HydrophobicContact CB-CD2 3.57Å; V237-F266 HydrophobicContact CB-CE2 3.86Å; V237-F266 HydrophobicContact CB-CG 3.9Å; V237-F266 HydrophobicContact CB-CZ 4.42Å; V237-F266 HydrophobicContact CG1-CD1 4.15Å; V237-F266 HydrophobicContact CG1-CD2 3.91Å; V237-F266 HydrophobicContact CG1-CE1 4.02Å; V237-F266 HydrophobicContact CG1-CE2 3.8Å; V237-F266 HydrophobicContact CG1-CG 4.08Å; V237-F266 HydrophobicContact CG1-CZ 3.85Å; V237-F266 HydrophobicContact CG2-CB 3.7Å; V237-F266 HydrophobicContact CG2-CD1 4.39Å; V237-F266 HydrophobicContact CG2-CD2 3.94Å; V237-F266 HydrophobicContact CG2-CG 3.78Å; V237-L278 HydrophobicContact CG1-CD2 4.42Å; V237-L278 HydrophobicContact CG2-CD2 3.7Å; V237-V281 HydrophobicContact CG1-CG2 4.48Å; V237-V281 HydrophobicContact CG2-CG1 4.23Å; V237-F323 HydrophobicContact CG2-CE1 3.93Å; V237-F323 HydrophobicContact CG2-CZ 3.9Å
238	Y	98.8	Very high	98.7	Very high	46 Å²	46	35.7 Å²	35.7	18%	0.18	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-46.7	171.4	-73.3	-76.7	0	0	0	111.4	N234 S235 A240 Y241 Y242 W251 C264 F266 W428	N234-Y238 VanDerWaalsContact O-CD2 3.24Å; N234-Y238 WeakPolarHBondContact O-CD2 3.44Å; S235-Y238 PolarHBondContact O-N 3.44Å; Y238-A240 VanDerWaalsContact C-N 3.33Å; Y238-A240 PolarHBondContact O-N 2.84Å; Y238-Y241 PolarHBondContact O-N 2.84Å; Y238-Y242 HydrophobicContact CD1-CE2 4.05Å; Y238-Y242 VanDerWaalsContact O-CD2 3.23Å; Y238-Y242 WeakPolarHBondContact O-CD2 3.32Å; Y238-Y242 PolarHBondContact O-N 2.91Å; Y238-W251 AromaticContact CD1-CH2 3.48Å; Y238-W251 HydrophobicContact CD1-CH2 3.48Å; Y238-W251 VanDerWaalsContact CD1-CH2 3.48Å; Y238-W251 HydrophobicContact CD1-CZ2 4.17Å; Y238-W251 HydrophobicContact CD1-CZ3 4.41Å; Y238-W251 AromaticContact CE1-CH2 3.57Å; Y238-W251 HydrophobicContact CE1-CH2 3.57Å; Y238-W251 HydrophobicContact CE1-CZ2 4.09Å; Y238-W251 HydrophobicContact CG-CH2 4.36Å; Y238-C264 HydrophobicContact CE2-CB 4.41Å; Y238-C264 WeakPolarHBondContact OH-CB 3.4Å; Y238-C264 PolarHBondContact OH-SG 3.48Å; Y238-F266 HydrophobicContact CD2-CE2 4.16Å; Y238-F266 HydrophobicContact CE2-CD2 4.29Å; Y238-F266 AromaticContact CE2-CE2 3.77Å; Y238-F266 HydrophobicContact CE2-CE2 3.77Å; Y238-W428 AromaticContact CD2-CH2 3.85Å; Y238-W428 HydrophobicContact CD2-CH2 3.85Å; Y238-W428 HydrophobicContact CE2-CH2 4.13Å
239	F	98.8	Very high	98.7	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-53.6	-52.2	177.2	-173.8	-75.3	0	0	0	110.1	S235 L236 Y241 Y242 H243 L295 D416 M419 N422 F423	S235-F239 WeakPolarHBondContact O-CB 3.47Å; S235-F239 PolarHBondContact O-N 3.4Å; L236-F239 WeakPolarHBondContact O-CB 3.11Å; L236-F239 PolarHBondContact O-N 2.83Å; F239-Y241 VanDerWaalsContact C-N 3.32Å; F239-Y241 PolarHBondContact O-N 3.06Å; F239-Y242 PolarHBondContact O-N 3.27Å; F239-H243 HydrophobicContact CD1-CB 4.37Å; F239-H243 AromaticContact CD1-CE1 3.98Å; F239-H243 AromaticContact CD1-CG 3.92Å; F239-H243 AromaticContact CD1-ND1 3.52Å; F239-H243 AromaticContact CD2-CE1 3.47Å; F239-H243 VanDerWaalsContact CD2-CE1 3.47Å; F239-H243 WeakPolarHBondContact CD2-CE1 3.22Å; F239-H243 AromaticContact CD2-ND1 3.81Å; F239-H243 HydrophobicContact CE1-CB 4.15Å; F239-H243 AromaticContact CE1-CD2 3.88Å; F239-H243 AromaticContact CE1-CE1 3.85Å; F239-H243 AromaticContact CE1-CG 3.61Å; F239-H243 AromaticContact CE1-ND1 3.59Å; F239-H243 AromaticContact CE2-CE1 3.35Å; F239-H243 WeakPolarHBondContact CE2-CE1 3.41Å; F239-H243 AromaticContact CE2-ND1 3.9Å; F239-H243 AromaticContact CE2-NE2 3.64Å; F239-H243 AromaticContact CG-CE1 3.79Å; F239-H243 AromaticContact CG-ND1 3.62Å; F239-H243 AromaticContact CZ-CD2 3.74Å; F239-H243 AromaticContact CZ-CE1 3.53Å; F239-H243 AromaticContact CZ-CG 3.91Å; F239-H243 AromaticContact CZ-ND1 3.78Å; F239-H243 AromaticContact CZ-NE2 3.53Å; F239-H243 WeakPolarHBondContact O-CB 3.37Å; F239-H243 PolarHBondContact O-N 3.11Å; F239-H243 PolarHBondContact O-ND1 3.11Å; F239-L295 HydrophobicContact CE1-CD2 4.1Å; F239-D416 WeakPolarHBondContact CE2-O 3.19Å; F239-M419 HydrophobicContact CD1-CG 3.89Å; F239-M419 HydrophobicContact CD1-SD 4.32Å; F239-M419 HydrophobicContact CE1-CG 3.5Å; F239-M419 HydrophobicContact CE1-SD 4.07Å; F239-M419 HydrophobicContact CZ-CG 4.27Å; F239-N422 HydrophobicContact CD2-CB 3.9Å; F239-N422 HydrophobicContact CE2-CB 4.31Å; F239-N422 HydrophobicContact CG-CB 4.39Å; F239-F423 HydrophobicContact CD2-CE1 4.3Å; F239-F423 HydrophobicContact CE2-CD1 4.24Å; F239-F423 HydrophobicContact CE2-CE1 4.09Å
240	A	98.8	Very high	98.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-40.9	-178.2	0	0	0	0	0	112.7	L236 Y238 L245 L246 V285	L236-A240 WeakPolarHBondContact O-CB 3.14Å; L236-A240 PolarHBondContact O-N 2.76Å; Y238-A240 VanDerWaalsContact C-N 3.33Å; Y238-A240 PolarHBondContact O-N 2.84Å; A240-L245 HydrophobicContact CB-CB 4.35Å; A240-L245 HydrophobicContact CB-CD1 4.12Å; A240-L245 WeakPolarHBondContact O-CA 3.27Å; A240-L245 VanDerWaalsContact O-CB 3.24Å; A240-L245 WeakPolarHBondContact O-CB 3.42Å; A240-L245 WeakPolarHBondContact O-CG 3.45Å; A240-L245 PolarHBondContact O-N 3.28Å; A240-L246 HydrophobicContact CB-CD1 3.89Å; A240-L246 HydrophobicContact CB-CD2 4.2Å; A240-L246 HydrophobicContact CB-CG 3.84Å; A240-L246 PolarHBondContact O-N 3.35Å; A240-V285 HydrophobicContact CB-CG2 4Å
241	Y	98.8	Very high	98.7	Very high	48 Å²	48	44.1 Å²	44.1	19%	0.188	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-51.8	176.2	177	-112.2	0	0	0	112.2	V237 Y238 F239 H243 G244 L246 N248 W251	V237-Y241 PolarHBondContact O-N 3.13Å; Y238-Y241 PolarHBondContact O-N 2.84Å; F239-Y241 VanDerWaalsContact C-N 3.32Å; F239-Y241 PolarHBondContact O-N 3.06Å; Y241-H243 PolarHBondContact O-N 3.11Å; Y241-G244 PolarHBondContact O-N 3.03Å; Y241-L246 HydrophobicContact CD2-CB 4.18Å; Y241-L246 VanDerWaalsContact CD2-O 3.3Å; Y241-L246 WeakPolarHBondContact CD2-O 3.41Å; Y241-N248 PolarHBondContact OH-OD1 2.93Å; Y241-W251 AromaticContact CD1-CD2 3.61Å; Y241-W251 HydrophobicContact CD1-CD2 3.61Å; Y241-W251 AromaticContact CD1-CE2 3.64Å; Y241-W251 HydrophobicContact CD1-CE3 4.02Å; Y241-W251 AromaticContact CD1-CG 3.92Å; Y241-W251 HydrophobicContact CD1-CG 3.92Å; Y241-W251 HydrophobicContact CD1-CZ2 4.11Å; Y241-W251 HydrophobicContact CD1-CZ3 4.45Å; Y241-W251 AromaticContact CD1-NE1 3.9Å; Y241-W251 HydrophobicContact CD2-CB 3.43Å; Y241-W251 VanDerWaalsContact CD2-CB 3.43Å; Y241-W251 AromaticContact CD2-CD2 3.75Å; Y241-W251 HydrophobicContact CD2-CD2 3.75Å; Y241-W251 HydrophobicContact CD2-CE3 4.05Å; Y241-W251 AromaticContact CD2-CG 3.48Å; Y241-W251 HydrophobicContact CD2-CG 3.48Å; Y241-W251 VanDerWaalsContact CD2-CG 3.48Å; Y241-W251 AromaticContact CE1-CD1 3.56Å; Y241-W251 AromaticContact CE1-CD2 3.92Å; Y241-W251 HydrophobicContact CE1-CD2 3.92Å; Y241-W251 AromaticContact CE1-CE2 3.76Å; Y241-W251 AromaticContact CE1-CG 3.82Å; Y241-W251 HydrophobicContact CE1-CG 3.82Å; Y241-W251 HydrophobicContact CE1-CZ2 4.49Å; Y241-W251 AromaticContact CE1-NE1 3.51Å; Y241-W251 HydrophobicContact CE2-CB 3.32Å; Y241-W251 AromaticContact CE2-CD1 3.63Å; Y241-W251 HydrophobicContact CE2-CD2 4.05Å; Y241-W251 AromaticContact CE2-CG 3.35Å; Y241-W251 HydrophobicContact CE2-CG 3.35Å; Y241-W251 HydrophobicContact CG-CB 4.16Å; Y241-W251 AromaticContact CG-CD2 3.5Å; Y241-W251 HydrophobicContact CG-CD2 3.5Å; Y241-W251 VanDerWaalsContact CG-CD2 3.5Å; Y241-W251 AromaticContact CG-CE3 3.61Å; Y241-W251 HydrophobicContact CG-CE3 3.61Å; Y241-W251 AromaticContact CG-CG 3.75Å; Y241-W251 HydrophobicContact CG-CG 3.75Å; Y241-W251 HydrophobicContact CG-CZ3 4.25Å; Y241-W251 AromaticContact CZ-CD1 3.29Å; Y241-W251 AromaticContact CZ-CG 3.51Å; Y241-W251 AromaticContact CZ-NE1 3.76Å
242	Y	98.8	Very high	98.6	Very high	161 Å²	161	45.9 Å²	45.9	63%	0.631	24%	0.239	S	C	*	.	H	α-helix	trans	-71.9	-14.4	-175.5	-72	-66.3	0	0	0	114	Y238 F239	Y238-Y242 HydrophobicContact CD1-CE2 4.05Å; Y238-Y242 VanDerWaalsContact O-CD2 3.23Å; Y238-Y242 WeakPolarHBondContact O-CD2 3.32Å; Y238-Y242 PolarHBondContact O-N 2.91Å; F239-Y242 PolarHBondContact O-N 3.27Å
243	H	98.7	Very high	98.6	Very high	60 Å²	60	47 Å²	47	28%	0.278	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	12.2	170.1	-64.8	75.6	0	0	0	113	F239 Y241 L245 L295	F239-H243 HydrophobicContact CD1-CB 4.37Å; F239-H243 AromaticContact CD1-CE1 3.98Å; F239-H243 AromaticContact CD1-CG 3.92Å; F239-H243 AromaticContact CD1-ND1 3.52Å; F239-H243 AromaticContact CD2-CE1 3.47Å; F239-H243 VanDerWaalsContact CD2-CE1 3.47Å; F239-H243 WeakPolarHBondContact CD2-CE1 3.22Å; F239-H243 AromaticContact CD2-ND1 3.81Å; F239-H243 HydrophobicContact CE1-CB 4.15Å; F239-H243 AromaticContact CE1-CD2 3.88Å; F239-H243 AromaticContact CE1-CE1 3.85Å; F239-H243 AromaticContact CE1-CG 3.61Å; F239-H243 AromaticContact CE1-ND1 3.59Å; F239-H243 AromaticContact CE2-CE1 3.35Å; F239-H243 WeakPolarHBondContact CE2-CE1 3.41Å; F239-H243 AromaticContact CE2-ND1 3.9Å; F239-H243 AromaticContact CE2-NE2 3.64Å; F239-H243 AromaticContact CG-CE1 3.79Å; F239-H243 AromaticContact CG-ND1 3.62Å; F239-H243 AromaticContact CZ-CD2 3.74Å; F239-H243 AromaticContact CZ-CE1 3.53Å; F239-H243 AromaticContact CZ-CG 3.91Å; F239-H243 AromaticContact CZ-ND1 3.78Å; F239-H243 AromaticContact CZ-NE2 3.53Å; F239-H243 WeakPolarHBondContact O-CB 3.37Å; F239-H243 PolarHBondContact O-N 3.11Å; F239-H243 PolarHBondContact O-ND1 3.11Å; Y241-H243 PolarHBondContact O-N 3.11Å; H243-L245 PolarHBondContact O-N 3.42Å; H243-L295 HydrophobicContact CB-CD2 3.65Å
244	G	98.4	Very high	98.6	Very high	65 Å²	65	47 Å²	47	67%	0.67	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	15.8	169.4	0	0	0	0	0	115.3	Y241	Y241-G244 PolarHBondContact O-N 3.03Å
245	L	98.6	Very high	98.6	Very high	37 Å²	37	49.5 Å²	49.5	19%	0.194	26%	0.259	C	S	.	.	S	Bend	trans	-83.6	-30.7	179.2	-43.5	-177.2	0	0	0	111.7	A240 H243 I284 L290 L295 M419	A240-L245 HydrophobicContact CB-CB 4.35Å; A240-L245 HydrophobicContact CB-CD1 4.12Å; A240-L245 WeakPolarHBondContact O-CA 3.27Å; A240-L245 VanDerWaalsContact O-CB 3.24Å; A240-L245 WeakPolarHBondContact O-CB 3.42Å; A240-L245 WeakPolarHBondContact O-CG 3.45Å; A240-L245 PolarHBondContact O-N 3.28Å; H243-L245 PolarHBondContact O-N 3.42Å; L245-I284 HydrophobicContact CB-CG2 4.05Å; L245-L290 HydrophobicContact CD1-CD1 3.96Å; L245-L290 HydrophobicContact CD2-CD1 3.92Å; L245-L290 HydrophobicContact CG-CD1 4.41Å; L245-L295 HydrophobicContact CD1-CD1 3.98Å; L245-L295 HydrophobicContact CD1-CD2 4.5Å; L245-L295 HydrophobicContact CD2-CD1 3.63Å; L245-L295 HydrophobicContact CD2-CD2 4.24Å; L245-L295 HydrophobicContact CG-CD1 4.4Å; L245-M419 HydrophobicContact CD1-CE 4.39Å; L245-M419 HydrophobicContact CD1-SD 3.47Å; L245-M419 WeakPolarHBondContact CD1-SD 3.24Å
246	L	98.6	Very high	98.5	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-106.9	126.7	179.6	-43.9	-178.2	0	0	0	109.4	V237 A240 Y241 L250 L254 V281 I284	V237-L246 HydrophobicContact CG1-CD1 4.41Å; A240-L246 HydrophobicContact CB-CD1 3.89Å; A240-L246 HydrophobicContact CB-CD2 4.2Å; A240-L246 HydrophobicContact CB-CG 3.84Å; A240-L246 PolarHBondContact O-N 3.35Å; Y241-L246 HydrophobicContact CD2-CB 4.18Å; Y241-L246 VanDerWaalsContact CD2-O 3.3Å; Y241-L246 WeakPolarHBondContact CD2-O 3.41Å; L246-L250 HydrophobicContact CB-CD2 4.37Å; L246-L250 HydrophobicContact CD2-CD2 3.92Å; L246-L254 HydrophobicContact CD1-CD1 4Å; L246-V281 HydrophobicContact CD1-CG1 4.37Å; L246-V281 HydrophobicContact CD1-CG2 3.83Å; L246-V281 HydrophobicContact CD2-CG1 4.46Å; L246-V281 HydrophobicContact CD2-CG2 4.12Å; L246-I284 HydrophobicContact CD2-CB 4.45Å; L246-I284 HydrophobicContact CD2-CD1 3.79Å; L246-I284 HydrophobicContact CD2-CG2 4.27Å
247	G	97.8	Very high	98.5	Very high	50 Å²	50	56.5 Å²	56.5	52%	0.515	30%	0.298	S	S	.	.			trans	-77.6	159.4	173.6	0	0	0	0	0	112.8	R249 L250 W251	G247-R249 PolarHBondContact O-N 2.96Å; G247-L250 PolarHBondContact O-N 3.37Å; G247-W251 PolarHBondContact O-N 3.1Å
248	N	98.1	Very high	98.5	Very high	110 Å²	110	56.7 Å²	56.7	59%	0.588	30%	0.3	S	S	*	.	H	α-helix	trans	-52	-32.9	-177.7	-72	-7.4	0	0	0	114.4	Y241 W251 S252	Y241-N248 PolarHBondContact OH-OD1 2.93Å; N248-W251 PolarHBondContact O-N 3.39Å; N248-S252 WeakPolarHBondContact O-CB 3.23Å; N248-S252 PolarHBondContact O-N 3.33Å; N248-S252 PolarHBondContact O-OG 2.77Å
249	R	98.4	Very high	98.5	Very high	233 Å²	233	55.6 Å²	55.6	88%	0.879	30%	0.298	S	S	*	.	H	α-helix	trans	-63.3	-48.9	178.2	-65.6	-175.2	-173.7	-174.8	2.2	112	G247 S253	G247-R249 PolarHBondContact O-N 2.96Å; R249-S253 PolarHBondContact O-N 3.42Å
250	L	98.6	Very high	98.3	Very high	28 Å²	28	59.8 Å²	59.8	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-41.8	177.8	179.2	57.6	0	0	0	110.4	L246 G247 S253 L254 N277 E280 V281 I284	L246-L250 HydrophobicContact CB-CD2 4.37Å; L246-L250 HydrophobicContact CD2-CD2 3.92Å; G247-L250 PolarHBondContact O-N 3.37Å; L250-S253 PolarHBondContact O-N 3.09Å; L250-L254 HydrophobicContact CD1-CD1 4.42Å; L250-L254 HydrophobicContact CD1-CG 4.41Å; L250-L254 HydrophobicContact CG-CD1 4.07Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.84Å; L250-N277 HydrophobicContact CD1-CB 3.89Å; L250-E280 HydrophobicContact CD2-CG 3.95Å; L250-V281 HydrophobicContact CD2-CG2 4.28Å; L250-I284 HydrophobicContact CD2-CD1 3.98Å
251	W	98.6	Very high	98	Very high	24 Å²	24	68.6 Å²	68.6	9%	0.091	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-46.4	176.1	-177.6	-114.8	0	0	0	113.2	V237 Y238 Y241 G247 N248 S253 L254 Q255 F266	V237-W251 HydrophobicContact CG1-CZ3 4.3Å; Y238-W251 AromaticContact CD1-CH2 3.48Å; Y238-W251 HydrophobicContact CD1-CH2 3.48Å; Y238-W251 VanDerWaalsContact CD1-CH2 3.48Å; Y238-W251 HydrophobicContact CD1-CZ2 4.17Å; Y238-W251 HydrophobicContact CD1-CZ3 4.41Å; Y238-W251 AromaticContact CE1-CH2 3.57Å; Y238-W251 HydrophobicContact CE1-CH2 3.57Å; Y238-W251 HydrophobicContact CE1-CZ2 4.09Å; Y238-W251 HydrophobicContact CG-CH2 4.36Å; Y241-W251 AromaticContact CD1-CD2 3.61Å; Y241-W251 HydrophobicContact CD1-CD2 3.61Å; Y241-W251 AromaticContact CD1-CE2 3.64Å; Y241-W251 HydrophobicContact CD1-CE3 4.02Å; Y241-W251 AromaticContact CD1-CG 3.92Å; Y241-W251 HydrophobicContact CD1-CG 3.92Å; Y241-W251 HydrophobicContact CD1-CZ2 4.11Å; Y241-W251 HydrophobicContact CD1-CZ3 4.45Å; Y241-W251 AromaticContact CD1-NE1 3.9Å; Y241-W251 HydrophobicContact CD2-CB 3.43Å; Y241-W251 VanDerWaalsContact CD2-CB 3.43Å; Y241-W251 AromaticContact CD2-CD2 3.75Å; Y241-W251 HydrophobicContact CD2-CD2 3.75Å; Y241-W251 HydrophobicContact CD2-CE3 4.05Å; Y241-W251 AromaticContact CD2-CG 3.48Å; Y241-W251 HydrophobicContact CD2-CG 3.48Å; Y241-W251 VanDerWaalsContact CD2-CG 3.48Å; Y241-W251 AromaticContact CE1-CD1 3.56Å; Y241-W251 AromaticContact CE1-CD2 3.92Å; Y241-W251 HydrophobicContact CE1-CD2 3.92Å; Y241-W251 AromaticContact CE1-CE2 3.76Å; Y241-W251 AromaticContact CE1-CG 3.82Å; Y241-W251 HydrophobicContact CE1-CG 3.82Å; Y241-W251 HydrophobicContact CE1-CZ2 4.49Å; Y241-W251 AromaticContact CE1-NE1 3.51Å; Y241-W251 HydrophobicContact CE2-CB 3.32Å; Y241-W251 AromaticContact CE2-CD1 3.63Å; Y241-W251 HydrophobicContact CE2-CD2 4.05Å; Y241-W251 AromaticContact CE2-CG 3.35Å; Y241-W251 HydrophobicContact CE2-CG 3.35Å; Y241-W251 HydrophobicContact CG-CB 4.16Å; Y241-W251 AromaticContact CG-CD2 3.5Å; Y241-W251 HydrophobicContact CG-CD2 3.5Å; Y241-W251 VanDerWaalsContact CG-CD2 3.5Å; Y241-W251 AromaticContact CG-CE3 3.61Å; Y241-W251 HydrophobicContact CG-CE3 3.61Å; Y241-W251 AromaticContact CG-CG 3.75Å; Y241-W251 HydrophobicContact CG-CG 3.75Å; Y241-W251 HydrophobicContact CG-CZ3 4.25Å; Y241-W251 AromaticContact CZ-CD1 3.29Å; Y241-W251 AromaticContact CZ-CG 3.51Å; Y241-W251 AromaticContact CZ-NE1 3.76Å; G247-W251 PolarHBondContact O-N 3.1Å; N248-W251 PolarHBondContact O-N 3.39Å; W251-S253 VanDerWaalsContact C-N 3.31Å; W251-S253 PolarHBondContact O-N 2.92Å; W251-L254 HydrophobicContact CE3-CD1 4.24Å; W251-L254 WeakPolarHBondContact O-CB 3.44Å; W251-L254 PolarHBondContact O-N 2.91Å; W251-Q255 HydrophobicContact CD2-CG 4.17Å; W251-Q255 HydrophobicContact CG-CG 4.5Å; W251-Q255 HydrophobicContact CZ2-CG 3.92Å; W251-Q255 VanDerWaalsContact CZ2-OE1 3.23Å; W251-Q255 WeakPolarHBondContact O-CG 3.08Å; W251-Q255 PolarHBondContact O-N 2.89Å; W251-F266 HydrophobicContact CZ3-CZ 4.36Å
252	S	98.4	Very high	97.7	Very high	70 Å²	70	74 Å²	74	49%	0.49	40%	0.401	S	S	.	.	H	α-helix	trans	-59.4	-42.9	176.2	-66.7	0	0	0	0	111.6	N248 Q255 T256	N248-S252 WeakPolarHBondContact O-CB 3.23Å; N248-S252 PolarHBondContact O-N 3.33Å; N248-S252 PolarHBondContact O-OG 2.77Å; S252-Q255 PolarHBondContact O-N 3.07Å; S252-T256 PolarHBondContact O-N 2.9Å; S252-T256 PolarHBondContact O-OG1 3.37Å
253	S	98.4	Very high	97.6	Very high	32 Å²	32	74.6 Å²	74.6	22%	0.224	41%	0.407	C	S	.	.	H	α-helix	trans	-66.4	-42.7	177.7	-164.8	0	0	0	0	111.8	R249 L250 W251 Q255 T256 H257 N277	R249-S253 PolarHBondContact O-N 3.42Å; L250-S253 PolarHBondContact O-N 3.09Å; W251-S253 VanDerWaalsContact C-N 3.31Å; W251-S253 PolarHBondContact O-N 2.92Å; S253-Q255 VanDerWaalsContact C-N 3.33Å; S253-Q255 PolarHBondContact O-N 2.74Å; S253-T256 PolarHBondContact O-N 2.77Å; S253-H257 PolarHBondContact O-CD2 3.27Å; S253-H257 PolarHBondContact O-N 3.5Å; S253-H257 PolarHBondContact OG-CD2 2.93Å; S253-H257 PolarHBondContact OG-NE2 3.37Å; S253-N277 WeakPolarHBondContact CB-ND2 3.26Å; S253-N277 PolarHBondContact OG-ND2 3.45Å
254	L	98.6	Very high	97.5	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-55.2	-47.9	171.2	-75.6	163.8	0	0	0	111.3	V237 L246 L250 W251 T256 H257 C258 F266 N277 L278 V281	V237-L254 HydrophobicContact CG1-CD1 3.92Å; V237-L254 HydrophobicContact CG1-CD2 4.49Å; L246-L254 HydrophobicContact CD1-CD1 4Å; L250-L254 HydrophobicContact CD1-CD1 4.42Å; L250-L254 HydrophobicContact CD1-CG 4.41Å; L250-L254 HydrophobicContact CG-CD1 4.07Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.84Å; W251-L254 HydrophobicContact CE3-CD1 4.24Å; W251-L254 WeakPolarHBondContact O-CB 3.44Å; W251-L254 PolarHBondContact O-N 2.91Å; L254-T256 VanDerWaalsContact C-N 3.32Å; L254-T256 PolarHBondContact O-N 2.88Å; L254-H257 PolarHBondContact O-N 3.44Å; L254-C258 WeakPolarHBondContact O-CA 3.37Å; L254-C258 WeakPolarHBondContact O-CB 3.41Å; L254-C258 PolarHBondContact O-N 2.75Å; L254-F266 HydrophobicContact CB-CE1 4.08Å; L254-F266 HydrophobicContact CD2-CD1 4.37Å; L254-F266 HydrophobicContact CD2-CE1 4.02Å; L254-N277 HydrophobicContact CD2-CB 3.59Å; L254-N277 HydrophobicContact CG-CB 3.99Å; L254-L278 HydrophobicContact CD2-CD2 3.82Å; L254-L278 HydrophobicContact CD2-CG 3.99Å; L254-V281 HydrophobicContact CD1-CG2 3.78Å; L254-V281 HydrophobicContact CD2-CG2 4.3Å
255	Q	98.3	Very high	97.5	Very high	68 Å²	68	71.8 Å²	71.8	32%	0.318	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-36.4	178.1	-70.1	-66.3	111.8	0	0	112.9	W251 S252 S253 C259 C264	W251-Q255 HydrophobicContact CD2-CG 4.17Å; W251-Q255 HydrophobicContact CG-CG 4.5Å; W251-Q255 HydrophobicContact CZ2-CG 3.92Å; W251-Q255 VanDerWaalsContact CZ2-OE1 3.23Å; W251-Q255 WeakPolarHBondContact O-CG 3.08Å; W251-Q255 PolarHBondContact O-N 2.89Å; S252-Q255 PolarHBondContact O-N 3.07Å; S253-Q255 VanDerWaalsContact C-N 3.33Å; S253-Q255 PolarHBondContact O-N 2.74Å; Q255-C259 VanDerWaalsContact O-CB 3.29Å; Q255-C259 WeakPolarHBondContact O-CB 3.32Å; Q255-C259 PolarHBondContact OE1-SG 2.82Å; Q255-C264 PolarHBondContact OE1-SG 3.21Å
256	T	98.3	Very high	97.5	Very high	100 Å²	100	70 Å²	70	61%	0.613	37%	0.371	S	S	*	.	H	α-helix	trans	-71.1	-42.2	179.3	-61.6	0	0	0	0	112.8	S252 S253 L254	S252-T256 PolarHBondContact O-N 2.9Å; S252-T256 PolarHBondContact O-OG1 3.37Å; S253-T256 PolarHBondContact O-N 2.77Å; L254-T256 VanDerWaalsContact C-N 3.32Å; L254-T256 PolarHBondContact O-N 2.88Å
257	H	98.3	Very high	97.5	Very high	47 Å²	47	70.4 Å²	70.4	22%	0.218	37%	0.372	C	S	.	.	H	α-helix	trans	-101.9	-26	-169.1	-55.9	-63.7	0	0	0	113.7	S253 L254 E273 C274	S253-H257 PolarHBondContact O-CD2 3.27Å; S253-H257 PolarHBondContact O-N 3.5Å; S253-H257 PolarHBondContact OG-CD2 2.93Å; S253-H257 PolarHBondContact OG-NE2 3.37Å; L254-H257 PolarHBondContact O-N 3.44Å; H257-E273 HydrophobicContact CB-CB 4.16Å; H257-E273 IonicContact CD2-OE2 3.97Å; H257-E273 IonicContact CE1-OE2 2.72Å; H257-E273 PolarHBondContact CE1-OE2 2.93Å; H257-E273 IonicContact CG-OE2 3.84Å; H257-E273 IonicContact ND1-OE2 3.05Å; H257-E273 PolarHBondContact ND1-OE2 2.88Å; H257-E273 IonicContact NE2-OE2 3.39Å; H257-E273 PolarHBondContact NE2-OE2 2.79Å; H257-C274 HydrophobicContact CB-CB 3.93Å
258	C	98.3	Very high	97.5	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.034	37%	0.365	C	S	.	.	H	α-helix	trans	-101.2	-12.2	-177.5	-54.1	0	0	0	0	113.8	L254 N265 F266 C274	L254-C258 WeakPolarHBondContact O-CA 3.37Å; L254-C258 WeakPolarHBondContact O-CB 3.41Å; L254-C258 PolarHBondContact O-N 2.75Å; C258-N265 PolarHBondContact O-N 3.34Å; C258-F266 HydrophobicContact CB-CD1 3.54Å; C258-F266 HydrophobicContact CB-CE1 3.37Å; C258-F266 HydrophobicContact CB-CZ 4.48Å; C258-C274 WeakPolarHBondContact CA-SG 3.39Å; C258-C274 HydrophobicContact CB-CB 4.12Å; C258-C274 WeakPolarHBondContact CB-SG 3.41Å; C258-C274 WeakPolarHBondContact SG-CA 2.95Å; C258-C274 WeakPolarHBondContact SG-CB 3.22Å; C258-C274 CovalentContact SG-SG 2.03Å; C258-C274 PolarHBondContact SG-SG 3.38Å
259	C	98.1	Very high	97.5	Very high	22 Å²	22	67.4 Å²	67.4	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.2	-171.8	-43	0	0	0	0	112.3	Q255 K263 C264	Q255-C259 VanDerWaalsContact O-CB 3.29Å; Q255-C259 WeakPolarHBondContact O-CB 3.32Å; Q255-C259 PolarHBondContact OE1-SG 2.82Å; C259-K263 CarbonylContact C-O 3.51Å; C259-K263 VanDerWaalsContact CA-O 3.27Å; C259-K263 WeakPolarHBondContact CA-O 3.29Å; C259-K263 WeakPolarHBondContact CB-O 3.48Å; C259-C264 HydrophobicContact CB-CB 3.97Å; C259-C264 WeakPolarHBondContact CB-SG 3.38Å; C259-C264 VanDerWaalsContact SG-CA 3.58Å; C259-C264 WeakPolarHBondContact SG-CB 3.25Å; C259-C264 CovalentContact SG-SG 2.02Å; C259-C264 PolarHBondContact SG-SG 2.61Å
260	S	96.3	Very high	97.4	Very high	90 Å²	90	62.8 Å²	62.8	63%	0.629	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.9	170.2	-170.3	0	0	0	0	108.4	N262 K263	S260-N262 PolarHBondContact O-N 2.74Å; S260-K263 PolarHBondContact N-O 2.87Å; S260-K263 PolarHBondContact O-N 2.98Å; S260-K263 VanDerWaalsContact O-N 3.15Å
261	Q	92.4	Very high	97.4	Very high	185 Å²	185	64.5 Å²	64.5	86%	0.864	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	-122.1	-169.7	-53.3	174.7	-23	0	0	110.5
262	N	92.2	Very high	97.3	Very high	162 Å²	162	70.1 Å²	70.1	87%	0.866	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	20.9	179.1	-69.7	-8.1	0	0	0	112.7	S260	S260-N262 PolarHBondContact O-N 2.74Å
263	K	95.5	Very high	97.3	Very high	172 Å²	172	72.1 Å²	72.1	75%	0.748	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.9	177.1	-69.8	-171.7	176.9	-175.2	0	110.4	C259 S260	C259-K263 CarbonylContact C-O 3.51Å; C259-K263 VanDerWaalsContact CA-O 3.27Å; C259-K263 WeakPolarHBondContact CA-O 3.29Å; C259-K263 WeakPolarHBondContact CB-O 3.48Å; S260-K263 PolarHBondContact N-O 2.87Å; S260-K263 PolarHBondContact O-N 2.98Å; S260-K263 VanDerWaalsContact O-N 3.15Å
264	C	98.2	Very high	97.3	Very high	17 Å²	17	70.6 Å²	70.6	12%	0.115	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137	173.4	-63.9	0	0	0	0	110	Y238 Q255 C259 F266	Y238-C264 HydrophobicContact CE2-CB 4.41Å; Y238-C264 WeakPolarHBondContact OH-CB 3.4Å; Y238-C264 PolarHBondContact OH-SG 3.48Å; Q255-C264 PolarHBondContact OE1-SG 3.21Å; C259-C264 HydrophobicContact CB-CB 3.97Å; C259-C264 WeakPolarHBondContact CB-SG 3.38Å; C259-C264 VanDerWaalsContact SG-CA 3.58Å; C259-C264 WeakPolarHBondContact SG-CB 3.25Å; C259-C264 CovalentContact SG-SG 2.02Å; C259-C264 PolarHBondContact SG-SG 2.61Å; C264-F266 HydrophobicContact CB-CD2 3.91Å; C264-F266 HydrophobicContact CB-CE1 4.13Å; C264-F266 HydrophobicContact CB-CE2 3.39Å; C264-F266 HydrophobicContact CB-CG 4.48Å; C264-F266 HydrophobicContact CB-CZ 3.53Å
265	N	98.4	Very high	97.3	Very high	49 Å²	49	71.2 Å²	71.2	26%	0.262	37%	0.365	S	S	.	.			trans	-109.9	101.1	167.8	180	2.9	0	0	0	108.1	C258 Y267 D268 N269	C258-N265 PolarHBondContact O-N 3.34Å; N265-Y267 PolarHBondContact OD1-N 3.38Å; N265-D268 PolarHBondContact ND2-OD1 3.41Å; N265-D268 PolarHBondContact OD1-N 2.95Å; N265-D268 VanDerWaalsContact OD1-N 3.12Å; N265-D268 PolarHBondContact OD1-OD1 2.95Å; N265-N269 WeakPolarHBondContact O-CB 3.4Å; N265-N269 PolarHBondContact O-ND2 3.49Å
266	F	98.6	Very high	97.2	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.378	C	S	.	.			trans	-104.6	6.5	172.7	-55.4	-54.6	0	0	0	112.5	N234 V237 Y238 W251 L254 C258 C264 L278	N234-F266 WeakPolarHBondContact OD1-CA 3.48Å; N234-F266 WeakPolarHBondContact OD1-CB 3.21Å; N234-F266 PolarHBondContact OD1-N 3.16Å; V237-F266 HydrophobicContact CB-CB 4.33Å; V237-F266 HydrophobicContact CB-CD1 4.47Å; V237-F266 HydrophobicContact CB-CD2 3.57Å; V237-F266 HydrophobicContact CB-CE2 3.86Å; V237-F266 HydrophobicContact CB-CG 3.9Å; V237-F266 HydrophobicContact CB-CZ 4.42Å; V237-F266 HydrophobicContact CG1-CD1 4.15Å; V237-F266 HydrophobicContact CG1-CD2 3.91Å; V237-F266 HydrophobicContact CG1-CE1 4.02Å; V237-F266 HydrophobicContact CG1-CE2 3.8Å; V237-F266 HydrophobicContact CG1-CG 4.08Å; V237-F266 HydrophobicContact CG1-CZ 3.85Å; V237-F266 HydrophobicContact CG2-CB 3.7Å; V237-F266 HydrophobicContact CG2-CD1 4.39Å; V237-F266 HydrophobicContact CG2-CD2 3.94Å; V237-F266 HydrophobicContact CG2-CG 3.78Å; Y238-F266 HydrophobicContact CD2-CE2 4.16Å; Y238-F266 HydrophobicContact CE2-CD2 4.29Å; Y238-F266 AromaticContact CE2-CE2 3.77Å; Y238-F266 HydrophobicContact CE2-CE2 3.77Å; W251-F266 HydrophobicContact CZ3-CZ 4.36Å; L254-F266 HydrophobicContact CB-CE1 4.08Å; L254-F266 HydrophobicContact CD2-CD1 4.37Å; L254-F266 HydrophobicContact CD2-CE1 4.02Å; C258-F266 HydrophobicContact CB-CD1 3.54Å; C258-F266 HydrophobicContact CB-CE1 3.37Å; C258-F266 HydrophobicContact CB-CZ 4.48Å; C264-F266 HydrophobicContact CB-CD2 3.91Å; C264-F266 HydrophobicContact CB-CE1 4.13Å; C264-F266 HydrophobicContact CB-CE2 3.39Å; C264-F266 HydrophobicContact CB-CG 4.48Å; C264-F266 HydrophobicContact CB-CZ 3.53Å; F266-L278 HydrophobicContact CB-CD1 4.34Å; F266-L278 HydrophobicContact CB-CD2 3.89Å; F266-L278 HydrophobicContact CD1-CD1 4.3Å; F266-L278 HydrophobicContact CD1-CD2 3.76Å; F266-L278 HydrophobicContact CD1-CG 4.44Å; F266-L278 HydrophobicContact CG-CD2 4.14Å
267	Y	98.4	Very high	97.2	Very high	14 Å²	14	68.8 Å²	68.8	6%	0.055	35%	0.354	C	S	.	.	S	Bend	trans	-95.1	-55.8	-174.1	169.2	-122.4	0	0	0	112.4	E230 D233 N234 N265 R325 L326	E230-Y267 HydrophobicContact CB-CD1 3.75Å; E230-Y267 HydrophobicContact CB-CD2 4.16Å; E230-Y267 HydrophobicContact CB-CE1 3.94Å; E230-Y267 HydrophobicContact CB-CE2 4.36Å; E230-Y267 HydrophobicContact CB-CG 3.84Å; E230-Y267 HydrophobicContact CG-CD1 3.76Å; E230-Y267 HydrophobicContact CG-CE1 4.36Å; E230-Y267 HydrophobicContact CG-CG 3.93Å; D233-Y267 HydrophobicContact CB-CD2 4.22Å; D233-Y267 WeakPolarHBondContact OD2-CD2 3.19Å; N234-Y267 PolarHBondContact OD1-N 3.44Å; N265-Y267 PolarHBondContact OD1-N 3.38Å; Y267-R325 HydrophobicContact CD2-CB 4.13Å; Y267-R325 HydrophobicContact CD2-CG 4.15Å; Y267-R325 HydrophobicContact CE1-CB 4.41Å; Y267-R325 HydrophobicContact CE1-CG 3.93Å; Y267-R325 HydrophobicContact CE2-CB 3.82Å; Y267-R325 HydrophobicContact CE2-CG 3.34Å; Y267-R325 CarbonylContact O-C 3.59Å; Y267-R325 WeakPolarHBondContact O-CB 3.38Å; Y267-R325 VanDerWaalsContact OH-CG 3.27Å; Y267-R325 WeakPolarHBondContact OH-CG 3.21Å; Y267-L326 VanDerWaalsContact O-CD2 3.27Å; Y267-L326 WeakPolarHBondContact O-CD2 3.48Å; Y267-L326 VanDerWaalsContact O-CG 3.3Å; Y267-L326 WeakPolarHBondContact O-CG 3.36Å; Y267-L326 PolarHBondContact O-N 2.04Å
268	D	98	Very high	97.2	Very high	69 Å²	69	66.6 Å²	66.6	37%	0.369	34%	0.344	S	S	.	.	S	Bend	trans	-134	20.1	-172.6	73.6	-5.1	0	0	0	114	N265 K270 R325	N265-D268 PolarHBondContact ND2-OD1 3.41Å; N265-D268 PolarHBondContact OD1-N 2.95Å; N265-D268 VanDerWaalsContact OD1-N 3.12Å; N265-D268 PolarHBondContact OD1-OD1 2.95Å; D268-K270 PolarHBondContact O-NZ 2.99Å; D268-R325 HydrophobicContact CB-CB 3.68Å; D268-R325 HydrophobicContact CB-CG 4.48Å
269	N	97.8	Very high	97.2	Very high	28 Å²	28	69 Å²	69	15%	0.15	36%	0.355	C	S	.	.			trans	-57.1	145.7	178.4	-154.6	-39.5	0	0	0	112.1	N265 D271 V275	N265-N269 WeakPolarHBondContact O-CB 3.4Å; N265-N269 PolarHBondContact O-ND2 3.49Å; N269-D271 WeakPolarHBondContact OD1-CB 3.29Å; N269-D271 PolarHBondContact OD1-N 3.09Å; N269-V275 WeakPolarHBondContact O-CG2 3.26Å
270	K	96.3	Very high	97.2	Very high	136 Å²	136	71.2 Å²	71.2	59%	0.591	36%	0.363	S	S	*	.			trans	-116.8	-4.9	-176	-60.9	-67.7	176.1	-87.3	0	112.8	D268 L272 R325 P327	D268-K270 PolarHBondContact O-NZ 2.99Å; K270-L272 PolarHBondContact O-N 3.41Å; K270-R325 PolarHBondContact NZ-O 3.34Å; K270-P327 HydrophobicContact CD-CG 4.47Å
271	D	97.9	Very high	97.3	Very high	65 Å²	65	67 Å²	67	35%	0.348	33%	0.333	S	S	.	.			trans	-60.5	131.4	171.4	179.4	-83.5	0	0	0	110.3	N269 E273 C274 V275	N269-D271 WeakPolarHBondContact OD1-CB 3.29Å; N269-D271 PolarHBondContact OD1-N 3.09Å; D271-E273 PolarHBondContact O-N 3.33Å; D271-E273 PolarHBondContact OD1-N 2.88Å; D271-C274 HydrophobicContact CB-CB 3.81Å; D271-C274 PolarHBondContact O-N 2.92Å; D271-C274 PolarHBondContact OD1-N 3.25Å; D271-V275 WeakPolarHBondContact O-CB 3.42Å; D271-V275 VanDerWaalsContact O-CG2 3.24Å; D271-V275 WeakPolarHBondContact O-CG2 3.3Å; D271-V275 PolarHBondContact O-N 3.31Å
272	L	96.8	Very high	97.4	Very high	142 Å²	142	59 Å²	59	74%	0.743	30%	0.3	S	S	*	.	H	α-helix	trans	-66.7	-38.5	-171.8	-69.3	172.2	0	0	0	112.5	K270 T276	K270-L272 PolarHBondContact O-N 3.41Å; L272-T276 WeakPolarHBondContact O-CB 3.29Å; L272-T276 PolarHBondContact O-N 3.19Å; L272-T276 PolarHBondContact O-OG1 2.95Å
273	E	97.9	Very high	97.5	Very high	111 Å²	111	56 Å²	56	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-74.8	-39.6	179.6	-69.2	-178.6	148.7	0	0	110	H257 D271 V275 T276 N277	H257-E273 HydrophobicContact CB-CB 4.16Å; H257-E273 IonicContact CD2-OE2 3.97Å; H257-E273 IonicContact CE1-OE2 2.72Å; H257-E273 PolarHBondContact CE1-OE2 2.93Å; H257-E273 IonicContact CG-OE2 3.84Å; H257-E273 IonicContact ND1-OE2 3.05Å; H257-E273 PolarHBondContact ND1-OE2 2.88Å; H257-E273 IonicContact NE2-OE2 3.39Å; H257-E273 PolarHBondContact NE2-OE2 2.79Å; D271-E273 PolarHBondContact O-N 3.33Å; D271-E273 PolarHBondContact OD1-N 2.88Å; E273-V275 PolarHBondContact O-N 2.72Å; E273-T276 PolarHBondContact O-N 2.85Å; E273-N277 WeakPolarHBondContact O-CB 3.19Å; E273-N277 VanDerWaalsContact O-CG 3.23Å; E273-N277 PolarHBondContact O-N 2.91Å; E273-N277 PolarHBondContact O-ND2 2.93Å
274	C	98.3	Very high	97.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-50	171.2	-179.8	0	0	0	0	112.1	H257 C258 D271 T276 N277 L278	H257-C274 HydrophobicContact CB-CB 3.93Å; C258-C274 WeakPolarHBondContact CA-SG 3.39Å; C258-C274 HydrophobicContact CB-CB 4.12Å; C258-C274 WeakPolarHBondContact CB-SG 3.41Å; C258-C274 WeakPolarHBondContact SG-CA 2.95Å; C258-C274 WeakPolarHBondContact SG-CB 3.22Å; C258-C274 CovalentContact SG-SG 2.03Å; C258-C274 PolarHBondContact SG-SG 3.38Å; D271-C274 HydrophobicContact CB-CB 3.81Å; D271-C274 PolarHBondContact O-N 2.92Å; D271-C274 PolarHBondContact OD1-N 3.25Å; C274-T276 VanDerWaalsContact C-N 3.3Å; C274-T276 PolarHBondContact O-N 3.15Å; C274-N277 PolarHBondContact O-N 2.92Å; C274-L278 WeakPolarHBondContact O-CB 3.48Å; C274-L278 WeakPolarHBondContact O-CG 3.13Å; C274-L278 PolarHBondContact O-N 3.48Å; C274-L278 VanDerWaalsContact SG-CD1 3.52Å
275	V	98.1	Very high	97.4	Very high	13 Å²	13	48.3 Å²	48.3	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-40.5	178.2	169.7	0	0	0	0	111.1	N269 D271 E273 L278 Q279 P327 L328	N269-V275 WeakPolarHBondContact O-CG2 3.26Å; D271-V275 WeakPolarHBondContact O-CB 3.42Å; D271-V275 VanDerWaalsContact O-CG2 3.24Å; D271-V275 WeakPolarHBondContact O-CG2 3.3Å; D271-V275 PolarHBondContact O-N 3.31Å; E273-V275 PolarHBondContact O-N 2.72Å; V275-L278 PolarHBondContact O-N 2.73Å; V275-Q279 WeakPolarHBondContact O-CB 3.26Å; V275-Q279 PolarHBondContact O-N 2.84Å; V275-P327 HydrophobicContact CG1-CG 3.98Å; V275-P327 HydrophobicContact CG2-CG 3.75Å; V275-L328 HydrophobicContact CG1-CD2 4.19Å
276	T	97.9	Very high	97	Very high	95 Å²	95	47.7 Å²	47.7	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-63.5	-41.9	177	-60.2	0	0	0	0	111.5	L272 E273 C274 Q279 E280	L272-T276 WeakPolarHBondContact O-CB 3.29Å; L272-T276 PolarHBondContact O-N 3.19Å; L272-T276 PolarHBondContact O-OG1 2.95Å; E273-T276 PolarHBondContact O-N 2.85Å; C274-T276 VanDerWaalsContact C-N 3.3Å; C274-T276 PolarHBondContact O-N 3.15Å; T276-Q279 WeakPolarHBondContact O-CB 3.35Å; T276-Q279 PolarHBondContact O-N 3.24Å; T276-E280 PolarHBondContact O-N 2.97Å
277	N	98.5	Very high	96.5	Very high	23 Å²	23	50 Å²	50	12%	0.123	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-42.2	175.7	-69.9	-31.3	0	0	0	111.9	L250 S253 L254 E273 C274 Q279 E280 V281	L250-N277 HydrophobicContact CD1-CB 3.89Å; S253-N277 WeakPolarHBondContact CB-ND2 3.26Å; S253-N277 PolarHBondContact OG-ND2 3.45Å; L254-N277 HydrophobicContact CD2-CB 3.59Å; L254-N277 HydrophobicContact CG-CB 3.99Å; E273-N277 WeakPolarHBondContact O-CB 3.19Å; E273-N277 VanDerWaalsContact O-CG 3.23Å; E273-N277 PolarHBondContact O-N 2.91Å; E273-N277 PolarHBondContact O-ND2 2.93Å; C274-N277 PolarHBondContact O-N 2.92Å; N277-Q279 VanDerWaalsContact C-N 3.29Å; N277-Q279 PolarHBondContact O-N 2.85Å; N277-E280 WeakPolarHBondContact O-CB 3.47Å; N277-E280 PolarHBondContact O-N 2.95Å; N277-E280 VanDerWaalsContact O-N 3.08Å; N277-V281 WeakPolarHBondContact O-CG2 3.07Å; N277-V281 PolarHBondContact O-N 3.47Å
278	L	98.3	Very high	96.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-28.9	177.7	-70.4	167.7	0	0	0	112.6	V237 L254 F266 C274 V275 E280 V281 A282 L326	V237-L278 HydrophobicContact CG1-CD2 4.42Å; V237-L278 HydrophobicContact CG2-CD2 3.7Å; L254-L278 HydrophobicContact CD2-CD2 3.82Å; L254-L278 HydrophobicContact CD2-CG 3.99Å; F266-L278 HydrophobicContact CB-CD1 4.34Å; F266-L278 HydrophobicContact CB-CD2 3.89Å; F266-L278 HydrophobicContact CD1-CD1 4.3Å; F266-L278 HydrophobicContact CD1-CD2 3.76Å; F266-L278 HydrophobicContact CD1-CG 4.44Å; F266-L278 HydrophobicContact CG-CD2 4.14Å; C274-L278 WeakPolarHBondContact O-CB 3.48Å; C274-L278 WeakPolarHBondContact O-CG 3.13Å; C274-L278 PolarHBondContact O-N 3.48Å; C274-L278 VanDerWaalsContact SG-CD1 3.52Å; V275-L278 PolarHBondContact O-N 2.73Å; L278-E280 VanDerWaalsContact C-N 3.31Å; L278-V281 PolarHBondContact O-N 3.2Å; L278-A282 WeakPolarHBondContact O-CB 3.48Å; L278-A282 PolarHBondContact O-N 3.34Å; L278-L326 HydrophobicContact CB-CD1 3.61Å; L278-L326 HydrophobicContact CD1-CD1 3.56Å; L278-L326 HydrophobicContact CD1-CD2 3.83Å; L278-L326 HydrophobicContact CD1-CG 4.38Å; L278-L326 HydrophobicContact CG-CD1 4.08Å
279	Q	97.1	Very high	95.8	Very high	56 Å²	56	48.6 Å²	48.6	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-41.4	168.7	-175	96.9	65.1	0	0	111.1	V275 T276 N277 R283 L328 K329	V275-Q279 WeakPolarHBondContact O-CB 3.26Å; V275-Q279 PolarHBondContact O-N 2.84Å; T276-Q279 WeakPolarHBondContact O-CB 3.35Å; T276-Q279 PolarHBondContact O-N 3.24Å; N277-Q279 VanDerWaalsContact C-N 3.29Å; N277-Q279 PolarHBondContact O-N 2.85Å; Q279-R283 PolarHBondContact O-N 3.21Å; Q279-L328 HydrophobicContact CB-CD2 3.98Å; Q279-K329 PolarHBondContact NE2-O 3.33Å
280	E	97.6	Very high	95.7	Very high	69 Å²	69	49.6 Å²	49.6	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-70	-38.4	175.7	179.2	59.7	-172.6	0	0	111.9	L250 T276 N277 L278 R283 I284	L250-E280 HydrophobicContact CD2-CG 3.95Å; T276-E280 PolarHBondContact O-N 2.97Å; N277-E280 WeakPolarHBondContact O-CB 3.47Å; N277-E280 PolarHBondContact O-N 2.95Å; N277-E280 VanDerWaalsContact O-N 3.08Å; L278-E280 VanDerWaalsContact C-N 3.31Å; E280-R283 PolarHBondContact O-N 3.14Å; E280-R283 IonicContact OE1-CZ 2.87Å; E280-R283 IonicContact OE1-NE 2.87Å; E280-R283 PolarHBondContact OE1-NE 3Å; E280-R283 IonicContact OE1-NH2 3.55Å; E280-R283 PolarHBondContact OE1-NH2 3.37Å; E280-R283 IonicContact OE2-CZ 3.62Å; E280-R283 IonicContact OE2-NE 3.68Å; E280-R283 PolarHBondContact OE2-NE 3.35Å; E280-R283 IonicContact OE2-NH2 3.61Å; E280-I284 HydrophobicContact CG-CD1 3.96Å; E280-I284 HydrophobicContact CG-CG1 4.49Å; E280-I284 WeakPolarHBondContact O-CG1 3.25Å; E280-I284 PolarHBondContact O-N 3.23Å
281	V	98.3	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-49.4	172.7	176.8	0	0	0	0	110.9	V237 L246 L250 L254 N277 L278 R283 I284 V285 F323	V237-V281 HydrophobicContact CG1-CG2 4.48Å; V237-V281 HydrophobicContact CG2-CG1 4.23Å; L246-V281 HydrophobicContact CD1-CG1 4.37Å; L246-V281 HydrophobicContact CD1-CG2 3.83Å; L246-V281 HydrophobicContact CD2-CG1 4.46Å; L246-V281 HydrophobicContact CD2-CG2 4.12Å; L250-V281 HydrophobicContact CD2-CG2 4.28Å; L254-V281 HydrophobicContact CD1-CG2 3.78Å; L254-V281 HydrophobicContact CD2-CG2 4.3Å; N277-V281 WeakPolarHBondContact O-CG2 3.07Å; N277-V281 PolarHBondContact O-N 3.47Å; L278-V281 PolarHBondContact O-N 3.2Å; V281-R283 VanDerWaalsContact C-N 3.29Å; V281-R283 PolarHBondContact O-N 3.17Å; V281-I284 PolarHBondContact O-N 3.26Å; V281-V285 HydrophobicContact CG1-CG2 4.19Å; V281-V285 WeakPolarHBondContact O-CB 3.47Å; V281-V285 WeakPolarHBondContact O-CG2 3.44Å; V281-V285 PolarHBondContact O-N 2.64Å; V281-F323 HydrophobicContact CG1-CZ 4.3Å
282	A	96	Very high	95.7	Very high	19 Å²	19	41.6 Å²	41.6	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-55.8	-44	175.9	0	0	0	0	0	111.9	L278 V285 G286 F323 L328	L278-A282 WeakPolarHBondContact O-CB 3.48Å; L278-A282 PolarHBondContact O-N 3.34Å; A282-V285 PolarHBondContact O-N 3.37Å; A282-G286 PolarHBondContact O-N 2.87Å; A282-F323 HydrophobicContact CB-CD2 3.85Å; A282-F323 HydrophobicContact CB-CE2 4.06Å; A282-L328 HydrophobicContact CB-CD1 4.14Å
283	R	94.6	Very high	95.8	Very high	98 Å²	98	35.9 Å²	35.9	37%	0.37	20%	0.197	S	C	.	.	H	α-helix	trans	-62.8	-45.2	177.2	-167.9	-160.6	66.2	71.8	0.5	111.8	Q279 E280 V281 N287 S288	Q279-R283 PolarHBondContact O-N 3.21Å; E280-R283 PolarHBondContact O-N 3.14Å; E280-R283 IonicContact OE1-CZ 2.87Å; E280-R283 IonicContact OE1-NE 2.87Å; E280-R283 PolarHBondContact OE1-NE 3Å; E280-R283 IonicContact OE1-NH2 3.55Å; E280-R283 PolarHBondContact OE1-NH2 3.37Å; E280-R283 IonicContact OE2-CZ 3.62Å; E280-R283 IonicContact OE2-NE 3.68Å; E280-R283 PolarHBondContact OE2-NE 3.35Å; E280-R283 IonicContact OE2-NH2 3.61Å; V281-R283 VanDerWaalsContact C-N 3.29Å; V281-R283 PolarHBondContact O-N 3.17Å; R283-N287 HydrophobicContact CG-CB 4.38Å; R283-N287 CarbonylContact O-C 3.06Å; R283-N287 VanDerWaalsContact O-CA 3.26Å; R283-N287 WeakPolarHBondContact O-CA 3.2Å; R283-N287 PolarHBondContact O-N 3.22Å; R283-S288 PolarHBondContact O-N 3.42Å; R283-S288 VanDerWaalsContact O-N 3.16Å
284	I	95.8	Very high	95.8	Very high	24 Å²	24	31.5 Å²	31.5	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-49.6	178.3	-69.2	166.4	0	0	0	110.3	L245 L246 L250 E280 V281 S288 L290	L245-I284 HydrophobicContact CB-CG2 4.05Å; L246-I284 HydrophobicContact CD2-CB 4.45Å; L246-I284 HydrophobicContact CD2-CD1 3.79Å; L246-I284 HydrophobicContact CD2-CG2 4.27Å; L250-I284 HydrophobicContact CD2-CD1 3.98Å; E280-I284 HydrophobicContact CG-CD1 3.96Å; E280-I284 HydrophobicContact CG-CG1 4.49Å; E280-I284 WeakPolarHBondContact O-CG1 3.25Å; E280-I284 PolarHBondContact O-N 3.23Å; V281-I284 PolarHBondContact O-N 3.26Å; I284-S288 WeakPolarHBondContact O-CB 3.35Å; I284-S288 PolarHBondContact O-OG 2.91Å; I284-L290 HydrophobicContact CG2-CD1 4.4Å
285	V	95.5	Very high	95.8	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-69.7	-44.9	-173.7	171.4	0	0	0	0	112.4	L236 A240 V281 A282 I292 M419	L236-V285 HydrophobicContact CD1-CG1 4.16Å; L236-V285 HydrophobicContact CD2-CG1 4.36Å; A240-V285 HydrophobicContact CB-CG2 4Å; V281-V285 HydrophobicContact CG1-CG2 4.19Å; V281-V285 WeakPolarHBondContact O-CB 3.47Å; V281-V285 WeakPolarHBondContact O-CG2 3.44Å; V281-V285 PolarHBondContact O-N 2.64Å; A282-V285 PolarHBondContact O-N 3.37Å; V285-I292 HydrophobicContact CG1-CD1 3.82Å; V285-I292 HydrophobicContact CG1-CG1 3.86Å; V285-M419 HydrophobicContact CG1-CB 4.27Å; V285-M419 HydrophobicContact CG1-CE 4.32Å; V285-M419 HydrophobicContact CG1-SD 4.34Å
286	G	90.1	Very high	95.8	Very high	37 Å²	37	39 Å²	39	38%	0.381	21%	0.207	S	C	.	.	H	α-helix	trans	-111.3	-13	-169.9	0	0	0	0	0	115.9	A282	A282-G286 PolarHBondContact O-N 2.87Å
287	N	88.4	Confident	95.8	Very high	48 Å²	48	36 Å²	36	26%	0.257	19%	0.192	S	C	.	.	S	Bend	trans	-139	30.4	-169.4	-52.4	117.4	0	0	0	113.6	R283 H306	R283-N287 HydrophobicContact CG-CB 4.38Å; R283-N287 CarbonylContact O-C 3.06Å; R283-N287 VanDerWaalsContact O-CA 3.26Å; R283-N287 WeakPolarHBondContact O-CA 3.2Å; R283-N287 PolarHBondContact O-N 3.22Å; N287-H306 PolarHBondContact ND2-ND1 3.21Å; N287-H306 PolarHBondContact OD1-CE1 2.9Å; N287-H306 PolarHBondContact OD1-ND1 3.5Å; N287-H306 VanDerWaalsContact OD1-ND1 3.12Å
288	S	90.8	Very high	95.7	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	22%	0.221	S	C	.	.	S	Bend	trans	-119.7	1.8	178	75.3	0	0	0	0	113.9	R283 I284 V303	R283-S288 PolarHBondContact O-N 3.42Å; R283-S288 VanDerWaalsContact O-N 3.16Å; I284-S288 WeakPolarHBondContact O-CB 3.35Å; I284-S288 PolarHBondContact O-OG 2.91Å; S288-V303 WeakPolarHBondContact O-CG1 3.49Å
289	G	91.1	Very high	95.4	Very high	17 Å²	17	41.1 Å²	41.1	18%	0.175	23%	0.226	C	C	.	.	S	Bend	trans	91.4	0.2	-173.2	0	0	0	0	0	115.1	C299	G289-C299 WeakPolarHBondContact O-CB 3.4Å
290	L	95.1	Very high	95.1	Very high	49 Å²	49	40.2 Å²	40.2	26%	0.257	23%	0.228	S	C	.	.			trans	-67.1	144.4	164.3	-67.8	178.8	0	0	0	110.6	L245 I284 I292 L295 C349 M419	L245-L290 HydrophobicContact CD1-CD1 3.96Å; L245-L290 HydrophobicContact CD2-CD1 3.92Å; L245-L290 HydrophobicContact CG-CD1 4.41Å; I284-L290 HydrophobicContact CG2-CD1 4.4Å; L290-I292 PolarHBondContact O-N 3.48Å; L290-L295 HydrophobicContact CD1-CD1 4.28Å; L290-L295 HydrophobicContact CD2-CD1 4.15Å; L290-C349 PolarHBondContact O-SG 3.26Å; L290-C349 VanDerWaalsContact O-SG 3.34Å; L290-M419 HydrophobicContact CB-CE 4.29Å
291	N	96.7	Very high	94.2	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.091	25%	0.246	C	C	.	.			trans	-84.7	107.3	171	-174.9	-18.8	0	0	0	109.5	Y293 N294 L295 P298 C299 C349	N291-Y293 PolarHBondContact O-N 3.37Å; N291-Y293 WeakPolarHBondContact OD1-CB 3.39Å; N291-Y293 PolarHBondContact OD1-N 2.82Å; N291-N294 WeakPolarHBondContact CB-O 3.32Å; N291-N294 CarbonylContact O-C 3.56Å; N291-N294 PolarHBondContact O-N 2.91Å; N291-N294 PolarHBondContact OD1-N 2.68Å; N291-L295 PolarHBondContact O-N 3.47Å; N291-P298 PolarHBondContact ND2-O 2.85Å; N291-C299 HydrophobicContact CB-CB 4.35Å; N291-C349 HydrophobicContact CB-CB 3.94Å
292	I	97.3	Very high	93.1	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.082	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.7	-179.3	-160.8	174.4	0	0	0	112.9	V285 L290 I322 P348 M419 A420	V285-I292 HydrophobicContact CG1-CD1 3.82Å; V285-I292 HydrophobicContact CG1-CG1 3.86Å; L290-I292 PolarHBondContact O-N 3.48Å; I292-I322 HydrophobicContact CD1-CD1 3.57Å; I292-P348 HydrophobicContact CG2-CB 3.36Å; I292-P348 HydrophobicContact CG2-CG 3.86Å; I292-M419 HydrophobicContact CG1-CB 3.77Å; I292-M419 WeakPolarHBondContact O-CA 3.27Å; I292-M419 VanDerWaalsContact O-CB 3.3Å; I292-M419 WeakPolarHBondContact O-CB 3.33Å; I292-M419 PolarHBondContact O-N 2.97Å; I292-A420 HydrophobicContact CG1-CB 4.3Å; I292-A420 PolarHBondContact O-N 3.2Å
293	Y	98.1	Very high	91.8	Very high	21 Å²	21	46.6 Å²	46.6	8%	0.082	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-21.9	178.2	-67.8	-36.1	0	0	0	113.4	N291 L319 P347 P348 T350 A420 G474 H475	N291-Y293 PolarHBondContact O-N 3.37Å; N291-Y293 WeakPolarHBondContact OD1-CB 3.39Å; N291-Y293 PolarHBondContact OD1-N 2.82Å; Y293-L319 WeakPolarHBondContact OH-CD1 3.41Å; Y293-P347 HydrophobicContact CE2-CB 3.66Å; Y293-P348 HydrophobicContact CD2-CB 4.23Å; Y293-P348 WeakPolarHBondContact CD2-O 3.29Å; Y293-P348 HydrophobicContact CE2-CB 3.89Å; Y293-P348 HydrophobicContact CE2-CG 3.94Å; Y293-P348 WeakPolarHBondContact CE2-O 3.43Å; Y293-P348 WeakPolarHBondContact OH-CD 3.18Å; Y293-T350 HydrophobicContact CD2-CG2 4.07Å; Y293-T350 HydrophobicContact CE2-CG2 4.19Å; Y293-A420 HydrophobicContact CD1-CB 3.62Å; Y293-A420 HydrophobicContact CE1-CB 3.56Å; Y293-G474 CarbonylContact O-C 3.18Å; Y293-G474 WeakPolarHBondContact O-CA 3.41Å; Y293-H475 HydrophobicContact CD1-CB 3.46Å; Y293-H475 VanDerWaalsContact CD1-CB 3.46Å; Y293-H475 AromaticContact CD1-CD2 3.54Å; Y293-H475 AromaticContact CD1-CG 3.38Å; Y293-H475 AromaticContact CD1-ND1 3.93Å; Y293-H475 HydrophobicContact CE1-CB 4.27Å; Y293-H475 AromaticContact CE1-CD2 3.41Å; Y293-H475 VanDerWaalsContact CE1-CD2 3.41Å; Y293-H475 WeakPolarHBondContact CE1-CD2 3.04Å; Y293-H475 AromaticContact CE1-CG 3.73Å; Y293-H475 AromaticContact CE1-NE2 3.65Å; Y293-H475 HydrophobicContact CG-CB 3.76Å; Y293-H475 PolarHBondContact O-N 3.08Å
294	N	98.6	Very high	90.3	Very high	20 Å²	20	43.1 Å²	43.1	11%	0.107	28%	0.281	C	S	.	.			trans	-155	102.8	173.7	-175.4	-37.3	0	0	0	108.4	N291 Y296 A297 V417 D480	N291-N294 WeakPolarHBondContact CB-O 3.32Å; N291-N294 CarbonylContact O-C 3.56Å; N291-N294 PolarHBondContact O-N 2.91Å; N291-N294 PolarHBondContact OD1-N 2.68Å; N294-Y296 PolarHBondContact O-N 3.32Å; N294-Y296 PolarHBondContact OD1-N 2.92Å; N294-A297 HydrophobicContact CB-CB 3.7Å; N294-A297 PolarHBondContact O-N 3.49Å; N294-A297 PolarHBondContact OD1-N 3.44Å; N294-V417 HydrophobicContact CB-CG2 4.5Å; N294-V417 WeakPolarHBondContact OD1-CG2 3.36Å; N294-D480 PolarHBondContact ND2-OD2 3.28Å
295	L	98.6	Very high	88.7	Confident	16 Å²	16	45.5 Å²	45.5	8%	0.084	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.2	-172.9	172.8	59.4	0	0	0	113.3	F239 H243 L245 L290 N291 V417 M419	F239-L295 HydrophobicContact CE1-CD2 4.1Å; H243-L295 HydrophobicContact CB-CD2 3.65Å; L245-L295 HydrophobicContact CD1-CD1 3.98Å; L245-L295 HydrophobicContact CD1-CD2 4.5Å; L245-L295 HydrophobicContact CD2-CD1 3.63Å; L245-L295 HydrophobicContact CD2-CD2 4.24Å; L245-L295 HydrophobicContact CG-CD1 4.4Å; L290-L295 HydrophobicContact CD1-CD1 4.28Å; L290-L295 HydrophobicContact CD2-CD1 4.15Å; N291-L295 PolarHBondContact O-N 3.47Å; L295-V417 PolarHBondContact N-O 3.02Å; L295-M419 HydrophobicContact CB-CE 4.3Å; L295-M419 HydrophobicContact CB-CG 4.43Å; L295-M419 HydrophobicContact CB-SD 4.27Å; L295-M419 HydrophobicContact CD1-CE 3.85Å; L295-M419 HydrophobicContact CD1-SD 3.94Å; L295-M419 HydrophobicContact CG-SD 4.45Å
296	Y	98.3	Very high	87.3	Confident	154 Å²	154	50.2 Å²	50.2	60%	0.604	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.9	-175.6	-54.9	-62.6	0	0	0	113.6	N294 V417	N294-Y296 PolarHBondContact O-N 3.32Å; N294-Y296 PolarHBondContact OD1-N 2.92Å; Y296-V417 HydrophobicContact CD2-CB 3.71Å; Y296-V417 HydrophobicContact CD2-CG1 3.56Å; Y296-V417 HydrophobicContact CD2-CG2 4.19Å; Y296-V417 HydrophobicContact CE2-CB 3.82Å; Y296-V417 HydrophobicContact CE2-CG1 3.41Å; Y296-V417 VanDerWaalsContact CE2-CG1 3.41Å
297	A	97.4	Very high	86.4	Confident	33 Å²	33	51.4 Å²	51.4	27%	0.273	32%	0.316	S	S	.	.	S	Bend	trans	-91	155.1	175.1	0	0	0	0	0	111.5	N294	N294-A297 HydrophobicContact CB-CB 3.7Å; N294-A297 PolarHBondContact O-N 3.49Å; N294-A297 PolarHBondContact OD1-N 3.44Å
298	P	95.8	Very high	86	Confident	115 Å²	115	51.3 Å²	51.3	75%	0.747	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-63.9	154.4	168.7	29.2	-35.2	0	0	0	111.1	N291	N291-P298 PolarHBondContact ND2-O 2.85Å
299	C	93.4	Very high	85.6	Confident	15 Å²	15	56.6 Å²	56.6	10%	0.101	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-89.9	117	169.2	-177.3	0	0	0	0	110.1	G289 N291 G301 G302 C349	G289-C299 WeakPolarHBondContact O-CB 3.4Å; N291-C299 HydrophobicContact CB-CB 4.35Å; C299-G301 PolarHBondContact O-N 3.09Å; C299-G302 PolarHBondContact O-N 3.3Å; C299-G302 VanDerWaalsContact O-N 3.09Å; C299-C349 HydrophobicContact CB-CB 3.78Å; C299-C349 WeakPolarHBondContact CB-SG 3.43Å; C299-C349 VanDerWaalsContact SG-CA 3.55Å; C299-C349 WeakPolarHBondContact SG-CB 3.41Å; C299-C349 CovalentContact SG-SG 2.04Å; C299-C349 PolarHBondContact SG-SG 2.94Å
300	A	89.1	Confident	85	Confident	36 Å²	36	58.6 Å²	58.6	30%	0.298	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	130.4	174.7	0	0	0	0	0	110.1	C349 N351	A300-C349 VanDerWaalsContact CB-O 3.31Å; A300-C349 WeakPolarHBondContact CB-O 3.37Å; A300-C349 PolarHBondContact N-O 3.29Å; A300-N351 HydrophobicContact CB-CB 4.09Å
301	G	79.4	Confident	84.5	Confident	67 Å²	67	65.7 Å²	65.7	69%	0.691	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-0.9	-172.3	0	0	0	0	0	114.9	C299	C299-G301 PolarHBondContact O-N 3.09Å
302	G	75.9	Confident	84	Confident	38 Å²	38	71.5 Å²	71.5	39%	0.392	39%	0.392	S	S	.	.	S	Bend	trans	79.3	-160.6	175.9	0	0	0	0	0	112.9	C299 P304	C299-G302 PolarHBondContact O-N 3.3Å; C299-G302 VanDerWaalsContact O-N 3.09Å; G302-P304 WeakPolarHBondContact O-CD 3.45Å; G302-P304 VanDerWaalsContact O-CG 3.32Å; G302-P304 WeakPolarHBondContact O-CG 3.26Å
303	V	67.9	Low	83.5	Confident	118 Å²	118	72 Å²	72	72%	0.715	40%	0.396	S	S	*	.	S	Bend	trans	-76.3	101.7	178.6	178.1	0	0	0	0	109.6	S288	S288-V303 WeakPolarHBondContact O-CG1 3.49Å
304	P	63.2	Low	83	Confident	24 Å²	24	71.1 Å²	71.1	16%	0.156	39%	0.392	C	S	.	.			trans	-90.8	160.7	-176.7	1.2	22.1	0	0	0	110.6	G302	G302-P304 WeakPolarHBondContact O-CD 3.45Å; G302-P304 VanDerWaalsContact O-CG 3.32Å; G302-P304 WeakPolarHBondContact O-CG 3.26Å
305	S	62.4	Low	82.6	Confident	74 Å²	74	70.1 Å²	70.1	52%	0.517	39%	0.387	S	S	.	.			trans	-77.7	-171.2	156.3	78.8	0	0	0	0	109.9	F307	S305-F307 PolarHBondContact O-N 2.7Å; S305-F307 PolarHBondContact OG-O 3.19Å
306	H	65.6	Low	82.2	Confident	103 Å²	103	69.4 Å²	69.4	48%	0.477	38%	0.384	S	S	.	.	S	Bend	trans	-57.1	-11.2	178.8	-62.5	-66.8	0	0	0	115.4	N287 M331	N287-H306 PolarHBondContact ND2-ND1 3.21Å; N287-H306 PolarHBondContact OD1-CE1 2.9Å; N287-H306 PolarHBondContact OD1-ND1 3.5Å; N287-H306 VanDerWaalsContact OD1-ND1 3.12Å; H306-M331 HydrophobicContact CB-CE 3.81Å
307	F	72.3	Confident	81.7	Confident	61 Å²	61	63 Å²	63	27%	0.268	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164	174.5	64.2	-66.8	0	0	0	108.9	S305 Y309 V314 M331	S305-F307 PolarHBondContact O-N 2.7Å; S305-F307 PolarHBondContact OG-O 3.19Å; F307-Y309 HydrophobicContact CD2-CE2 4.14Å; F307-Y309 HydrophobicContact CE2-CD2 4.13Å; F307-Y309 AromaticContact CE2-CE2 3.4Å; F307-Y309 HydrophobicContact CE2-CE2 3.4Å; F307-Y309 AromaticContact CE2-CZ 3.72Å; F307-Y309 HydrophobicContact CZ-CE2 4.28Å; F307-V314 HydrophobicContact CB-CG1 4.43Å; F307-V314 HydrophobicContact CD2-CG1 4.08Å; F307-M331 HydrophobicContact CB-CE 3.84Å; F307-M331 HydrophobicContact CD1-CE 3.07Å; F307-M331 HydrophobicContact CD1-SD 4.47Å; F307-M331 HydrophobicContact CE1-CE 3.72Å; F307-M331 HydrophobicContact CG-CE 3.66Å
308	R	79.9	Confident	81.4	Confident	46 Å²	46	64.8 Å²	64.8	17%	0.174	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.6	169.9	67.2	-178.1	-174.6	94.7	0.4	110.2	E310 V315 D346	R308-E310 IonicContact CZ-OE1 3.68Å; R308-E310 IonicContact NH1-OE1 3.69Å; R308-E310 PolarHBondContact NH1-OE1 3.39Å; R308-E310 IonicContact NH2-OE1 3.45Å; R308-E310 PolarHBondContact NH2-OE1 2.94Å; R308-V315 HydrophobicContact CG-CB 3.72Å; R308-V315 HydrophobicContact CG-CG1 4.27Å; R308-V315 HydrophobicContact CG-CG2 4.31Å; R308-V315 PolarHBondContact N-O 3.46Å; R308-V315 PolarHBondContact O-N 2.88Å; R308-D346 IonicContact NH2-OD2 2.77Å; R308-D346 PolarHBondContact NH2-OD2 3.4Å
309	Y	80.9	Confident	81.3	Confident	149 Å²	149	59.9 Å²	59.9	58%	0.584	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.4	166.7	-73.5	-81.1	0	0	0	109.4	F307 T313 V314	F307-Y309 HydrophobicContact CD2-CE2 4.14Å; F307-Y309 HydrophobicContact CE2-CD2 4.13Å; F307-Y309 AromaticContact CE2-CE2 3.4Å; F307-Y309 HydrophobicContact CE2-CE2 3.4Å; F307-Y309 AromaticContact CE2-CZ 3.72Å; F307-Y309 HydrophobicContact CZ-CE2 4.28Å; Y309-T313 WeakPolarHBondContact CA-O 3.45Å; Y309-V314 HydrophobicContact CD1-CG2 4.13Å; Y309-V314 HydrophobicContact CE1-CG2 3.54Å
310	E	79.8	Confident	81.3	Confident	59 Å²	59	60.3 Å²	60.3	28%	0.276	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	100.3	166.3	-172	172.4	-91.7	0	0	107.7	R308 D312 T313 V315 R344	R308-E310 IonicContact CZ-OE1 3.68Å; R308-E310 IonicContact NH1-OE1 3.69Å; R308-E310 PolarHBondContact NH1-OE1 3.39Å; R308-E310 IonicContact NH2-OE1 3.45Å; R308-E310 PolarHBondContact NH2-OE1 2.94Å; E310-D312 PolarHBondContact O-N 3.43Å; E310-T313 PolarHBondContact N-O 2.88Å; E310-T313 WeakPolarHBondContact O-CB 3.45Å; E310-T313 PolarHBondContact O-N 3.12Å; E310-V315 HydrophobicContact CB-CG2 3.92Å; E310-R344 IonicContact OE1-NH2 2.69Å; E310-R344 IonicContact OE2-CZ 3.76Å; E310-R344 IonicContact OE2-NH1 3.67Å; E310-R344 PolarHBondContact OE2-NH1 2.98Å; E310-R344 IonicContact OE2-NH2 2.93Å; E310-R344 PolarHBondContact OE2-NH2 3.36Å
311	K	84.4	Confident	81.6	Confident	197 Å²	197	59.3 Å²	59.3	86%	0.857	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	-119.7	-164.8	-55.1	173.6	-179.1	171.4	0	109.5
312	D	85.4	Confident	82.4	Confident	139 Å²	139	57.9 Å²	57.9	74%	0.743	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	14.3	-179.1	-49.6	-36.8	0	0	0	112.6	E310	E310-D312 PolarHBondContact O-N 3.43Å
313	T	87.1	Confident	83.4	Confident	27 Å²	27	56.3 Å²	56.3	17%	0.166	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.6	179.3	-58.3	0	0	0	0	110.4	Y309 E310 K342 R344	Y309-T313 WeakPolarHBondContact CA-O 3.45Å; E310-T313 PolarHBondContact N-O 2.88Å; E310-T313 WeakPolarHBondContact O-CB 3.45Å; E310-T313 PolarHBondContact O-N 3.12Å; T313-K342 CarbonylContact C-O 3.41Å; T313-K342 WeakPolarHBondContact CA-O 3.49Å; T313-K342 HydrophobicContact CG2-CB 4.25Å; T313-R344 HydrophobicContact CG2-CB 3.93Å
314	V	88.5	Confident	84.6	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120	167.5	179.3	0	0	0	0	108.4	F307 Y309 V316 L336 D341 K342 V343 R344	F307-V314 HydrophobicContact CB-CG1 4.43Å; F307-V314 HydrophobicContact CD2-CG1 4.08Å; Y309-V314 HydrophobicContact CD1-CG2 4.13Å; Y309-V314 HydrophobicContact CE1-CG2 3.54Å; V314-V316 HydrophobicContact CG1-CG2 4.3Å; V314-L336 HydrophobicContact CG1-CD1 4.31Å; V314-L336 HydrophobicContact CG1-CD2 4.21Å; V314-D341 HydrophobicContact CG2-CB 4.31Å; V314-K342 PolarHBondContact N-O 2.85Å; V314-V343 HydrophobicContact CB-CG2 4.47Å; V314-V343 WeakPolarHBondContact O-CA 3.49Å; V314-R344 PolarHBondContact O-N 2.8Å
315	V	89.3	Confident	86.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.6	175.1	-176.2	0	0	0	0	109	R308 E310 Q317 R344 D346	R308-V315 HydrophobicContact CG-CB 3.72Å; R308-V315 HydrophobicContact CG-CG1 4.27Å; R308-V315 HydrophobicContact CG-CG2 4.31Å; R308-V315 PolarHBondContact N-O 3.46Å; R308-V315 PolarHBondContact O-N 2.88Å; E310-V315 HydrophobicContact CB-CG2 3.92Å; V315-Q317 HydrophobicContact CG1-CG 4.16Å; V315-R344 WeakPolarHBondContact CA-O 3.3Å; V315-D346 HydrophobicContact CG1-CB 3.78Å; V315-D346 WeakPolarHBondContact CG1-OD2 3.17Å
316	V	90.2	Very high	87.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.3	172.9	179.2	0	0	0	0	108.5	V314 L336 V343 R344 M345 D346 F382	V314-V316 HydrophobicContact CG1-CG2 4.3Å; V316-L336 HydrophobicContact CG2-CD1 3.76Å; V316-V343 HydrophobicContact CG2-CG1 4.04Å; V316-R344 PolarHBondContact N-O 2.85Å; V316-M345 HydrophobicContact CG1-CE 3.99Å; V316-M345 VanDerWaalsContact O-CA 3.27Å; V316-M345 WeakPolarHBondContact O-CA 3.26Å; V316-D346 PolarHBondContact O-N 3.43Å; V316-D346 VanDerWaalsContact O-N 3.1Å; V316-F382 HydrophobicContact CB-CE2 4.5Å; V316-F382 HydrophobicContact CG2-CE2 4.21Å
317	Q	88.7	Confident	88.7	Confident	19 Å²	19	52 Å²	52	9%	0.089	25%	0.253	C	S	.	.			trans	-121.6	-10	-178.1	-59.2	179.7	-84.2	0	0	113.3	V315 L319 D346 P348	V315-Q317 HydrophobicContact CG1-CG 4.16Å; Q317-L319 PolarHBondContact O-N 2.89Å; Q317-D346 VanDerWaalsContact CA-O 3.31Å; Q317-D346 WeakPolarHBondContact CA-O 3.27Å; Q317-P348 WeakPolarHBondContact O-CD 3.08Å; Q317-P348 WeakPolarHBondContact O-CG 3.45Å
318	D	90.8	Very high	89.3	Confident	71 Å²	71	50 Å²	50	38%	0.38	25%	0.246	S	C	.	.			trans	-77.4	110.9	174.1	-177.6	9.2	0	0	0	110.4	G320 M345	D318-G320 PolarHBondContact O-N 3.09Å; D318-G320 WeakPolarHBondContact OD1-CA 3.32Å; D318-G320 PolarHBondContact OD1-N 3.03Å; D318-M345 VanDerWaalsContact O-CE 3.28Å; D318-M345 WeakPolarHBondContact O-CE 3.27Å
319	L	92.4	Very high	89.5	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.058	28%	0.275	C	S	.	.			trans	-77.6	-4.9	176.6	-59.5	179.6	0	0	0	113.3	Y293 Q317 M345 N385 R390	Y293-L319 WeakPolarHBondContact OH-CD1 3.41Å; Q317-L319 PolarHBondContact O-N 2.89Å; L319-M345 HydrophobicContact CD2-CE 4.34Å; L319-M345 HydrophobicContact CD2-CG 3.88Å; L319-M345 HydrophobicContact CD2-SD 3.51Å; L319-M345 VanDerWaalsContact CD2-SD 3.51Å; L319-N385 PolarHBondContact O-ND2 3.3Å; L319-N385 PolarHBondContact O-OD1 3.42Å; L319-R390 PolarHBondContact O-NH2 3.49Å
320	G	93.5	Very high	89.6	Confident	24 Å²	24	54.8 Å²	54.8	25%	0.247	27%	0.268	C	S	.	.	S	Bend	trans	77.3	29.1	169.8	0	0	0	0	0	115.3	D318 T324 R390	D318-G320 PolarHBondContact O-N 3.09Å; D318-G320 WeakPolarHBondContact OD1-CA 3.32Å; D318-G320 PolarHBondContact OD1-N 3.03Å; G320-T324 WeakPolarHBondContact O-CG2 3.27Å; G320-R390 PolarHBondContact O-NE 3.42Å; G320-R390 PolarHBondContact O-NH2 3.32Å
321	N	95.6	Very high	89.6	Confident	16 Å²	16	54.6 Å²	54.6	9%	0.086	27%	0.267	C	S	.	.			trans	-106.9	-17.8	-177.2	-60.6	-31.2	0	0	0	114.5	G103 L226 Y229 R390	G103-N321 PolarHBondContact O-ND2 3.01Å; L226-N321 HydrophobicContact CD2-CB 3.96Å; Y229-N321 WeakPolarHBondContact CD1-O 3.13Å; Y229-N321 HydrophobicContact CE1-CB 4.46Å; Y229-N321 VanDerWaalsContact CE1-O 3.31Å; Y229-N321 WeakPolarHBondContact CE1-O 3.31Å; N321-R390 PolarHBondContact OD1-NE 3.42Å; N321-R390 PolarHBondContact OD1-NH2 2.82Å
322	I	96.2	Very high	89.3	Confident	36 Å²	36	53.6 Å²	53.6	19%	0.185	26%	0.258	C	S	.	.	S	Bend	trans	-104.8	140	-173	-56.9	173	0	0	0	110	L236 I292 T324 A420	L236-I322 HydrophobicContact CD2-CD1 4.41Å; L236-I322 HydrophobicContact CD2-CG2 3.57Å; I292-I322 HydrophobicContact CD1-CD1 3.57Å; I322-T324 PolarHBondContact O-N 3.35Å; I322-T324 VanDerWaalsContact O-N 3.12Å; I322-A420 HydrophobicContact CD1-CB 4.46Å
323	F	96.5	Very high	89.1	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.026	23%	0.23	C	C	.	.	S	Bend	trans	57.2	24.1	179.2	-61.8	-48.2	0	0	0	114.7	D233 L236 V237 V281 A282 R325 L326 L328 R330	D233-F323 HydrophobicContact CB-CD1 3.95Å; D233-F323 HydrophobicContact CB-CE1 4.04Å; D233-F323 VanDerWaalsContact CG-N 3.29Å; D233-F323 PolarHBondContact OD1-N 3.2Å; D233-F323 WeakPolarHBondContact OD2-CA 3.14Å; D233-F323 PolarHBondContact OD2-N 2.94Å; D233-F323 VanDerWaalsContact OD2-N 3.14Å; L236-F323 HydrophobicContact CD2-CE2 4.13Å; L236-F323 HydrophobicContact CD2-CZ 3.94Å; L236-F323 HydrophobicContact CG-CZ 4.39Å; V237-F323 HydrophobicContact CG2-CE1 3.93Å; V237-F323 HydrophobicContact CG2-CZ 3.9Å; V281-F323 HydrophobicContact CG1-CZ 4.3Å; A282-F323 HydrophobicContact CB-CD2 3.85Å; A282-F323 HydrophobicContact CB-CE2 4.06Å; F323-R325 PolarHBondContact O-N 3.45Å; F323-L326 HydrophobicContact CB-CB 4.44Å; F323-L326 HydrophobicContact CB-CD1 3.9Å; F323-L326 HydrophobicContact CB-CG 4.33Å; F323-L326 HydrophobicContact CD1-CD1 3.64Å; F323-L326 HydrophobicContact CD1-CG 4.48Å; F323-L326 HydrophobicContact CE1-CD1 4.45Å; F323-L326 HydrophobicContact CG-CD1 3.91Å; F323-L326 PolarHBondContact O-N 3.09Å; F323-L328 HydrophobicContact CB-CD1 3.76Å; F323-L328 HydrophobicContact CD2-CD1 4.44Å; F323-L328 HydrophobicContact CG-CD1 4.36Å; F323-R330 PolarHBondContact O-NH2 3.44Å
324	T	93.7	Very high	88.5	Confident	39 Å²	39	51.2 Å²	51.2	24%	0.239	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.3	-170	61.9	0	0	0	0	114.1	Y229 G320 I322	Y229-T324 HydrophobicContact CD1-CG2 4.36Å; Y229-T324 HydrophobicContact CE1-CG2 4.21Å; G320-T324 WeakPolarHBondContact O-CG2 3.27Å; I322-T324 PolarHBondContact O-N 3.35Å; I322-T324 VanDerWaalsContact O-N 3.12Å
325	R	94.6	Very high	88.1	Confident	108 Å²	108	52.8 Å²	52.8	41%	0.408	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.7	179.4	-66.1	-50.4	-149.9	163.6	13	115.3	Y267 D268 K270 F323 R393	Y267-R325 HydrophobicContact CD2-CB 4.13Å; Y267-R325 HydrophobicContact CD2-CG 4.15Å; Y267-R325 HydrophobicContact CE1-CB 4.41Å; Y267-R325 HydrophobicContact CE1-CG 3.93Å; Y267-R325 HydrophobicContact CE2-CB 3.82Å; Y267-R325 HydrophobicContact CE2-CG 3.34Å; Y267-R325 CarbonylContact O-C 3.59Å; Y267-R325 WeakPolarHBondContact O-CB 3.38Å; Y267-R325 VanDerWaalsContact OH-CG 3.27Å; Y267-R325 WeakPolarHBondContact OH-CG 3.21Å; D268-R325 HydrophobicContact CB-CB 3.68Å; D268-R325 HydrophobicContact CB-CG 4.48Å; K270-R325 PolarHBondContact NZ-O 3.34Å; F323-R325 PolarHBondContact O-N 3.45Å; R325-R393 VanDerWaalsContact CZ-NH1 3.31Å
326	L	91.6	Very high	87.7	Confident	4 Å²	4	54 Å²	54	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-78	139.2	172.3	-65.1	-178	0	0	0	110.4	Y267 L278 F323 L328 R330	Y267-L326 VanDerWaalsContact O-CD2 3.27Å; Y267-L326 WeakPolarHBondContact O-CD2 3.48Å; Y267-L326 VanDerWaalsContact O-CG 3.3Å; Y267-L326 WeakPolarHBondContact O-CG 3.36Å; Y267-L326 PolarHBondContact O-N 2.04Å; L278-L326 HydrophobicContact CB-CD1 3.61Å; L278-L326 HydrophobicContact CD1-CD1 3.56Å; L278-L326 HydrophobicContact CD1-CD2 3.83Å; L278-L326 HydrophobicContact CD1-CG 4.38Å; L278-L326 HydrophobicContact CG-CD1 4.08Å; F323-L326 HydrophobicContact CB-CB 4.44Å; F323-L326 HydrophobicContact CB-CD1 3.9Å; F323-L326 HydrophobicContact CB-CG 4.33Å; F323-L326 HydrophobicContact CD1-CD1 3.64Å; F323-L326 HydrophobicContact CD1-CG 4.48Å; F323-L326 HydrophobicContact CE1-CD1 4.45Å; F323-L326 HydrophobicContact CG-CD1 3.91Å; F323-L326 PolarHBondContact O-N 3.09Å; L326-L328 HydrophobicContact CB-CD1 4.24Å; L326-L328 HydrophobicContact CB-CD2 3.94Å; L326-L328 HydrophobicContact CB-CG 3.65Å; L326-L328 HydrophobicContact CD1-CD1 4.37Å; L326-L328 HydrophobicContact CD1-CD2 4.2Å; L326-L328 HydrophobicContact CD1-CG 4.39Å; L326-L328 PolarHBondContact O-N 3.14Å; L326-R330 PolarHBondContact O-NH1 2.92Å
327	P	90.6	Very high	87.2	Confident	76 Å²	76	57.6 Å²	57.6	49%	0.494	28%	0.279	S	S	.	.			trans	-77	53.2	174.6	33.9	-34.8	0	0	0	111.4	K270 V275	K270-P327 HydrophobicContact CD-CG 4.47Å; V275-P327 HydrophobicContact CG1-CG 3.98Å; V275-P327 HydrophobicContact CG2-CG 3.75Å
328	L	86.7	Confident	86.8	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.11	31%	0.309	C	S	.	.			trans	-72.9	147.2	179	-57.6	-177.1	0	0	0	111.1	V275 Q279 A282 F323 L326 R330	V275-L328 HydrophobicContact CG1-CD2 4.19Å; Q279-L328 HydrophobicContact CB-CD2 3.98Å; A282-L328 HydrophobicContact CB-CD1 4.14Å; F323-L328 HydrophobicContact CB-CD1 3.76Å; F323-L328 HydrophobicContact CD2-CD1 4.44Å; F323-L328 HydrophobicContact CG-CD1 4.36Å; L326-L328 HydrophobicContact CB-CD1 4.24Å; L326-L328 HydrophobicContact CB-CD2 3.94Å; L326-L328 HydrophobicContact CB-CG 3.65Å; L326-L328 HydrophobicContact CD1-CD1 4.37Å; L326-L328 HydrophobicContact CD1-CD2 4.2Å; L326-L328 HydrophobicContact CD1-CG 4.39Å; L326-L328 PolarHBondContact O-N 3.14Å; L328-R330 HydrophobicContact CB-CG 4.48Å; L328-R330 PolarHBondContact O-N 2.89Å
329	K	83.9	Confident	86.3	Confident	183 Å²	183	65.4 Å²	65.4	80%	0.796	31%	0.312	S	S	*	.			trans	-68.5	117.1	164.2	-63.4	178	-177.1	175.4	0	108	Q279	Q279-K329 PolarHBondContact NE2-O 3.33Å
330	R	82.3	Confident	85.6	Confident	112 Å²	112	68.3 Å²	68.3	42%	0.423	34%	0.344	S	S	.	.			trans	-118.4	160.1	179.1	-69.2	-177.1	172.5	96.1	1.6	110.7	F323 L326 L328	F323-R330 PolarHBondContact O-NH2 3.44Å; L326-R330 PolarHBondContact O-NH1 2.92Å; L328-R330 HydrophobicContact CB-CG 4.48Å; L328-R330 PolarHBondContact O-N 2.89Å
331	M	79.1	Confident	85.2	Confident	54 Å²	54	71 Å²	71	27%	0.266	35%	0.353	S	S	.	.			trans	-60	139.7	168.7	-175.2	178.4	-73.8	0	0	110.3	H306 F307 H333 L336	H306-M331 HydrophobicContact CB-CE 3.81Å; F307-M331 HydrophobicContact CB-CE 3.84Å; F307-M331 HydrophobicContact CD1-CE 3.07Å; F307-M331 HydrophobicContact CD1-SD 4.47Å; F307-M331 HydrophobicContact CE1-CE 3.72Å; F307-M331 HydrophobicContact CG-CE 3.66Å; M331-H333 VanDerWaalsContact C-N 3.29Å; M331-H333 PolarHBondContact O-N 3.42Å; M331-L336 HydrophobicContact SD-CD1 4.28Å
332	W	78.8	Confident	84.8	Confident	176 Å²	176	77.5 Å²	77.5	67%	0.667	38%	0.381	S	S	*	.			trans	-81.4	75.3	176.7	-164.7	19	0	0	0	110.7	Q334 A335	W332-Q334 PolarHBondContact O-N 2.95Å; W332-Q334 VanDerWaalsContact O-N 3.1Å; W332-A335 HydrophobicContact CB-CB 4.31Å; W332-A335 HydrophobicContact CD2-CB 3.86Å; W332-A335 HydrophobicContact CE3-CB 3.8Å; W332-A335 HydrophobicContact CG-CB 4.09Å; W332-A335 HydrophobicContact CZ3-CB 4.45Å; W332-A335 VanDerWaalsContact O-CB 3.31Å; W332-A335 WeakPolarHBondContact O-CB 3.48Å; W332-A335 PolarHBondContact O-N 2.74Å
333	H	80.6	Confident	84.4	Confident	33 Å²	33	77.5 Å²	77.5	15%	0.153	38%	0.382	C	S	.	.	H	α-helix	trans	-56.4	-29.8	-176.7	-65	-61.5	0	0	0	113.8	M331 A335 L336 F382 L386	M331-H333 VanDerWaalsContact C-N 3.29Å; M331-H333 PolarHBondContact O-N 3.42Å; H333-A335 PolarHBondContact O-N 2.89Å; H333-L336 WeakPolarHBondContact O-CB 3.35Å; H333-L336 PolarHBondContact O-N 3.45Å; H333-L336 VanDerWaalsContact O-N 3.13Å; H333-F382 HydrophobicContact CB-CE2 4.49Å; H333-F382 HydrophobicContact CB-CZ 4.4Å; H333-L386 HydrophobicContact CB-CD1 3.81Å
334	Q	76.1	Confident	84.1	Confident	83 Å²	83	79.1 Å²	79.1	39%	0.388	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-26	174.9	-68.5	-68.4	-18.9	0	0	113.4	W332 L336	W332-Q334 PolarHBondContact O-N 2.95Å; W332-Q334 VanDerWaalsContact O-N 3.1Å; Q334-L336 VanDerWaalsContact C-N 3.34Å
335	A	79.1	Confident	84.1	Confident	35 Å²	35	77.4 Å²	77.4	29%	0.289	38%	0.377	S	S	.	.	H	α-helix	trans	-73	-27.4	175.6	0	0	0	0	0	112.3	W332 H333 L337 R338 S339	W332-A335 HydrophobicContact CB-CB 4.31Å; W332-A335 HydrophobicContact CD2-CB 3.86Å; W332-A335 HydrophobicContact CE3-CB 3.8Å; W332-A335 HydrophobicContact CG-CB 4.09Å; W332-A335 HydrophobicContact CZ3-CB 4.45Å; W332-A335 VanDerWaalsContact O-CB 3.31Å; W332-A335 WeakPolarHBondContact O-CB 3.48Å; W332-A335 PolarHBondContact O-N 2.74Å; H333-A335 PolarHBondContact O-N 2.89Å; A335-L337 VanDerWaalsContact C-N 3.26Å; A335-L337 PolarHBondContact O-N 2.81Å; A335-R338 PolarHBondContact O-N 3.45Å; A335-S339 PolarHBondContact O-N 2.81Å; A335-S339 VanDerWaalsContact O-N 3.13Å
336	L	80.8	Confident	84	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-63.6	-32.9	177.3	-62.3	172.6	0	0	0	111.8	V314 V316 M331 H333 Q334 R338 S339 V343 F382	V314-L336 HydrophobicContact CG1-CD1 4.31Å; V314-L336 HydrophobicContact CG1-CD2 4.21Å; V316-L336 HydrophobicContact CG2-CD1 3.76Å; M331-L336 HydrophobicContact SD-CD1 4.28Å; H333-L336 WeakPolarHBondContact O-CB 3.35Å; H333-L336 PolarHBondContact O-N 3.45Å; H333-L336 VanDerWaalsContact O-N 3.13Å; Q334-L336 VanDerWaalsContact C-N 3.34Å; L336-R338 PolarHBondContact O-N 2.84Å; L336-S339 PolarHBondContact O-N 2.95Å; L336-S339 PolarHBondContact O-OG 3.34Å; L336-S339 VanDerWaalsContact O-OG 3.05Å; L336-V343 HydrophobicContact CB-CG2 3.94Å; L336-V343 HydrophobicContact CD1-CG1 4.45Å; L336-F382 HydrophobicContact CD1-CZ 4.42Å
337	L	80.1	Confident	84	Confident	76 Å²	76	72.5 Å²	72.5	40%	0.398	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-24.5	173.5	-65.5	-178.2	0	0	0	113.2	A335 F382 L383 L386	A335-L337 VanDerWaalsContact C-N 3.26Å; A335-L337 PolarHBondContact O-N 2.81Å; L337-F382 HydrophobicContact CD2-CD1 4.29Å; L337-F382 HydrophobicContact CD2-CE1 3.68Å; L337-F382 HydrophobicContact CG-CE1 4.21Å; L337-L383 HydrophobicContact CD1-CD2 4.19Å; L337-L383 HydrophobicContact CD2-CD2 3.44Å; L337-L383 VanDerWaalsContact CD2-CD2 3.44Å; L337-L383 HydrophobicContact CG-CD2 4.45Å; L337-L386 HydrophobicContact CD1-CD2 3.56Å; L337-L386 HydrophobicContact CG-CD2 4.01Å
338	R	80.4	Confident	83.9	Confident	191 Å²	191	69.9 Å²	69.9	72%	0.721	34%	0.343	S	S	*	.	H	α-helix	trans	-92.5	-18.8	-177.7	-60.5	-178.4	-171.9	177.7	0.8	112.8	A335 L336 G340	A335-R338 PolarHBondContact O-N 3.45Å; L336-R338 PolarHBondContact O-N 2.84Å; R338-G340 VanDerWaalsContact C-N 3.27Å; R338-G340 PolarHBondContact O-N 2.99Å
339	S	79.9	Confident	84.1	Confident	63 Å²	63	69.6 Å²	69.6	44%	0.441	34%	0.342	S	S	.	.	H	α-helix	trans	-72.7	-23.1	-179.9	66.9	0	0	0	0	112.5	A335 L336 D341	A335-S339 PolarHBondContact O-N 2.81Å; A335-S339 VanDerWaalsContact O-N 3.13Å; L336-S339 PolarHBondContact O-N 2.95Å; L336-S339 PolarHBondContact O-OG 3.34Å; L336-S339 VanDerWaalsContact O-OG 3.05Å; S339-D341 WeakPolarHBondContact CB-OD2 3.17Å; S339-D341 VanDerWaalsContact OG-CG 3.31Å; S339-D341 PolarHBondContact OG-N 3.03Å; S339-D341 PolarHBondContact OG-OD2 2.87Å
340	G	78.8	Confident	84.4	Confident	71 Å²	71	61.9 Å²	61.9	73%	0.732	31%	0.31	S	S	*	.			trans	80.6	2.9	-175.5	0	0	0	0	0	113.5	R338	R338-G340 VanDerWaalsContact C-N 3.27Å; R338-G340 PolarHBondContact O-N 2.99Å
341	D	84.3	Confident	84.9	Confident	82 Å²	82	61.6 Å²	61.6	44%	0.439	32%	0.318	S	S	.	.			trans	-69	153.3	175	-59.6	-48.5	0	0	0	111	V314 S339 V343	V314-D341 HydrophobicContact CG2-CB 4.31Å; S339-D341 WeakPolarHBondContact CB-OD2 3.17Å; S339-D341 VanDerWaalsContact OG-CG 3.31Å; S339-D341 PolarHBondContact OG-N 3.03Å; S339-D341 PolarHBondContact OG-OD2 2.87Å; D341-V343 PolarHBondContact O-N 2.78Å
342	K	86.5	Confident	85.6	Confident	152 Å²	152	59.3 Å²	59.3	66%	0.661	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	128.2	169.8	-68.5	178.7	-177.8	175.6	0	108.4	T313 V314	T313-K342 CarbonylContact C-O 3.41Å; T313-K342 WeakPolarHBondContact CA-O 3.49Å; T313-K342 HydrophobicContact CG2-CB 4.25Å; V314-K342 PolarHBondContact N-O 2.85Å
343	V	89.3	Confident	86.4	Confident	36 Å²	36	54 Å²	54	22%	0.218	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.1	177.9	-170.8	0	0	0	0	109	V314 V316 L336 D341 F382	V314-V343 HydrophobicContact CB-CG2 4.47Å; V314-V343 WeakPolarHBondContact O-CA 3.49Å; V316-V343 HydrophobicContact CG2-CG1 4.04Å; L336-V343 HydrophobicContact CB-CG2 3.94Å; L336-V343 HydrophobicContact CD1-CG1 4.45Å; D341-V343 PolarHBondContact O-N 2.78Å; V343-F382 HydrophobicContact CB-CD1 3.94Å; V343-F382 HydrophobicContact CB-CE1 4.07Å; V343-F382 HydrophobicContact CB-CG 4.49Å; V343-F382 HydrophobicContact CG1-CD1 3.61Å; V343-F382 HydrophobicContact CG1-CD2 4.01Å; V343-F382 HydrophobicContact CG1-CE1 3.66Å; V343-F382 HydrophobicContact CG1-CE2 4.07Å; V343-F382 HydrophobicContact CG1-CG 3.78Å; V343-F382 HydrophobicContact CG1-CZ 3.89Å; V343-F382 HydrophobicContact CG2-CE1 4.47Å
344	R	89.8	Confident	87.2	Confident	40 Å²	40	53.4 Å²	53.4	15%	0.151	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.4	170	-168.4	178.5	68.9	-127.7	-4.5	109.4	E310 T313 V314 V315 V316 D346 D378	E310-R344 IonicContact OE1-NH2 2.69Å; E310-R344 IonicContact OE2-CZ 3.76Å; E310-R344 IonicContact OE2-NH1 3.67Å; E310-R344 PolarHBondContact OE2-NH1 2.98Å; E310-R344 IonicContact OE2-NH2 2.93Å; E310-R344 PolarHBondContact OE2-NH2 3.36Å; T313-R344 HydrophobicContact CG2-CB 3.93Å; V314-R344 PolarHBondContact O-N 2.8Å; V315-R344 WeakPolarHBondContact CA-O 3.3Å; V316-R344 PolarHBondContact N-O 2.85Å; R344-D346 IonicContact CZ-OD1 3.56Å; R344-D346 IonicContact CZ-OD2 3.72Å; R344-D346 IonicContact NE-OD1 2.83Å; R344-D346 PolarHBondContact NE-OD1 2.76Å; R344-D346 IonicContact NE-OD2 3.48Å; R344-D346 IonicContact NH2-OD1 3.28Å; R344-D346 IonicContact NH2-OD2 3.55Å; R344-D346 PolarHBondContact NH2-OD2 2.91Å; R344-D378 WeakPolarHBondContact CD-OD1 3.47Å
345	M	92.3	Very high	88.3	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.7	169.7	-179.8	166.2	-90.6	0	0	109	V316 D318 L319 C380 F382 N385	V316-M345 HydrophobicContact CG1-CE 3.99Å; V316-M345 VanDerWaalsContact O-CA 3.27Å; V316-M345 WeakPolarHBondContact O-CA 3.26Å; D318-M345 VanDerWaalsContact O-CE 3.28Å; D318-M345 WeakPolarHBondContact O-CE 3.27Å; L319-M345 HydrophobicContact CD2-CE 4.34Å; L319-M345 HydrophobicContact CD2-CG 3.88Å; L319-M345 HydrophobicContact CD2-SD 3.51Å; L319-M345 VanDerWaalsContact CD2-SD 3.51Å; M345-C380 HydrophobicContact CB-CB 4.1Å; M345-C380 HydrophobicContact CG-CB 3.85Å; M345-C380 WeakPolarHBondContact O-CB 3.33Å; M345-C380 HydrophobicContact SD-CB 4.4Å; M345-F382 HydrophobicContact CB-CB 3.93Å; M345-F382 HydrophobicContact CE-CD2 4.09Å; M345-N385 HydrophobicContact CE-CB 4.01Å; M345-N385 WeakPolarHBondContact CE-OD1 3.4Å; M345-N385 HydrophobicContact SD-CB 3.49Å; M345-N385 WeakPolarHBondContact SD-CB 3.2Å; M345-N385 VanDerWaalsContact SD-CG 3.57Å
346	D	92.6	Very high	89.2	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.271	C	S	.	.			trans	-112.4	144	169.6	-70.7	-18.3	0	0	0	107.8	R308 V315 V316 Q317 R344 T352	R308-D346 IonicContact NH2-OD2 2.77Å; R308-D346 PolarHBondContact NH2-OD2 3.4Å; V315-D346 HydrophobicContact CG1-CB 3.78Å; V315-D346 WeakPolarHBondContact CG1-OD2 3.17Å; V316-D346 PolarHBondContact O-N 3.43Å; V316-D346 VanDerWaalsContact O-N 3.1Å; Q317-D346 VanDerWaalsContact CA-O 3.31Å; Q317-D346 WeakPolarHBondContact CA-O 3.27Å; R344-D346 IonicContact CZ-OD1 3.56Å; R344-D346 IonicContact CZ-OD2 3.72Å; R344-D346 IonicContact NE-OD1 2.83Å; R344-D346 PolarHBondContact NE-OD1 2.76Å; R344-D346 IonicContact NE-OD2 3.48Å; R344-D346 IonicContact NH2-OD1 3.28Å; R344-D346 IonicContact NH2-OD2 3.55Å; R344-D346 PolarHBondContact NH2-OD2 2.91Å; D346-T352 HydrophobicContact CB-CG2 4.08Å; D346-T352 PolarHBondContact OD1-OG1 3.04Å; D346-T352 VanDerWaalsContact OD1-OG1 3.12Å
347	P	92.3	Very high	90	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.058	29%	0.285	C	S	.	.			trans	-56.7	145.5	171.3	-19.4	28.8	0	0	0	111.7	Y293 C349 T350 M379	Y293-P347 HydrophobicContact CE2-CB 3.66Å; P347-C349 PolarHBondContact O-N 3Å; P347-T350 HydrophobicContact CB-CG2 3.78Å; P347-T350 WeakPolarHBondContact CB-OG1 3.4Å; P347-T350 WeakPolarHBondContact CD-OG1 3.46Å; P347-T350 PolarHBondContact O-N 3.41Å; P347-T350 PolarHBondContact O-OG1 2.63Å; P347-M379 HydrophobicContact CG-CG 4.28Å; P347-M379 HydrophobicContact CG-SD 3.56Å; P347-M379 VanDerWaalsContact CG-SD 3.56Å
348	P	88.9	Confident	90.9	Very high	21 Å²	21	47.7 Å²	47.7	14%	0.136	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.1	127.1	176.2	-30	29.6	0	0	0	114.6	I292 Y293 Q317 T350	I292-P348 HydrophobicContact CG2-CB 3.36Å; I292-P348 HydrophobicContact CG2-CG 3.86Å; Y293-P348 HydrophobicContact CD2-CB 4.23Å; Y293-P348 WeakPolarHBondContact CD2-O 3.29Å; Y293-P348 HydrophobicContact CE2-CB 3.89Å; Y293-P348 HydrophobicContact CE2-CG 3.94Å; Y293-P348 WeakPolarHBondContact CE2-O 3.43Å; Y293-P348 WeakPolarHBondContact OH-CD 3.18Å; Q317-P348 WeakPolarHBondContact O-CD 3.08Å; Q317-P348 WeakPolarHBondContact O-CG 3.45Å; P348-T350 WeakPolarHBondContact O-CG2 3.46Å; P348-T350 PolarHBondContact O-N 2.72Å
349	C	90.9	Very high	91.8	Very high	14 Å²	14	38.6 Å²	38.6	10%	0.095	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	21.6	174.2	-68.7	0	0	0	0	115.6	L290 N291 C299 A300 P347	L290-C349 PolarHBondContact O-SG 3.26Å; L290-C349 VanDerWaalsContact O-SG 3.34Å; N291-C349 HydrophobicContact CB-CB 3.94Å; C299-C349 HydrophobicContact CB-CB 3.78Å; C299-C349 WeakPolarHBondContact CB-SG 3.43Å; C299-C349 VanDerWaalsContact SG-CA 3.55Å; C299-C349 WeakPolarHBondContact SG-CB 3.41Å; C299-C349 CovalentContact SG-SG 2.04Å; C299-C349 PolarHBondContact SG-SG 2.94Å; A300-C349 VanDerWaalsContact CB-O 3.31Å; A300-C349 WeakPolarHBondContact CB-O 3.37Å; A300-C349 PolarHBondContact N-O 3.29Å; P347-C349 PolarHBondContact O-N 3Å
350	T	90.3	Very high	92.7	Very high	21 Å²	21	37.5 Å²	37.5	13%	0.129	22%	0.222	C	C	.	.			trans	-101.4	157	175.6	66.7	0	0	0	0	111.8	Y293 P347 P348 M476	Y293-T350 HydrophobicContact CD2-CG2 4.07Å; Y293-T350 HydrophobicContact CE2-CG2 4.19Å; P347-T350 HydrophobicContact CB-CG2 3.78Å; P347-T350 WeakPolarHBondContact CB-OG1 3.4Å; P347-T350 WeakPolarHBondContact CD-OG1 3.46Å; P347-T350 PolarHBondContact O-N 3.41Å; P347-T350 PolarHBondContact O-OG1 2.63Å; P348-T350 WeakPolarHBondContact O-CG2 3.46Å; P348-T350 PolarHBondContact O-N 2.72Å; T350-M476 HydrophobicContact CG2-CE 4.39Å
351	N	91.6	Very high	93.6	Very high	107 Å²	107	36.7 Å²	36.7	57%	0.572	20%	0.2	S	C	*	.			trans	-114.2	102.5	169.5	-179.6	6.5	0	0	0	109.4	A300 T353	A300-N351 HydrophobicContact CB-CB 4.09Å; N351-T353 PolarHBondContact O-N 2.97Å; N351-T353 WeakPolarHBondContact OD1-CB 3.36Å; N351-T353 PolarHBondContact OD1-N 2.83Å; N351-T353 VanDerWaalsContact OD1-N 3.09Å; N351-T353 PolarHBondContact OD1-OG1 2.95Å
352	T	94.3	Very high	94.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.031	21%	0.209	C	C	.	.			trans	-81.1	-1.6	-176.7	63	0	0	0	0	113.3	D346 A354 S356 M379	D346-T352 HydrophobicContact CB-CG2 4.08Å; D346-T352 PolarHBondContact OD1-OG1 3.04Å; D346-T352 VanDerWaalsContact OD1-OG1 3.12Å; T352-A354 PolarHBondContact O-N 3.17Å; T352-S356 VanDerWaalsContact O-CB 3.26Å; T352-S356 WeakPolarHBondContact O-CB 3.11Å; T352-S356 PolarHBondContact O-N 2.95Å; T352-M379 HydrophobicContact CG2-CB 3.94Å; T352-M379 HydrophobicContact CG2-CE 3.95Å; T352-M379 HydrophobicContact CG2-CG 4.34Å; T352-M379 HydrophobicContact CG2-SD 3.46Å; T352-M379 WeakPolarHBondContact CG2-SD 3.49Å
353	T	95.6	Very high	94.9	Very high	66 Å²	66	38.3 Å²	38.3	41%	0.405	21%	0.21	S	C	.	.	H	α-helix	trans	-59.2	-44.9	-170.6	-57.7	0	0	0	0	113	N351 T357	N351-T353 PolarHBondContact O-N 2.97Å; N351-T353 WeakPolarHBondContact OD1-CB 3.36Å; N351-T353 PolarHBondContact OD1-N 2.83Å; N351-T353 VanDerWaalsContact OD1-N 3.09Å; N351-T353 PolarHBondContact OD1-OG1 2.95Å; T353-T357 WeakPolarHBondContact O-CB 3.07Å; T353-T357 PolarHBondContact O-N 3.39Å; T353-T357 PolarHBondContact O-OG1 3.17Å
354	A	97.9	Very high	95.3	Very high	19 Å²	19	36.7 Å²	36.7	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-54	-175.9	0	0	0	0	0	111.4	V121 Q122 G125 T352 S356 T357 Y358	V121-A354 HydrophobicContact CG1-CB 4.17Å; V121-A354 HydrophobicContact CG2-CB 4.34Å; Q122-A354 WeakPolarHBondContact O-CB 3.5Å; G125-A354 WeakPolarHBondContact CA-O 3.42Å; T352-A354 PolarHBondContact O-N 3.17Å; A354-S356 PolarHBondContact O-N 3.24Å; A354-T357 PolarHBondContact O-N 2.93Å; A354-Y358 WeakPolarHBondContact O-CB 3.45Å; A354-Y358 PolarHBondContact O-N 3.05Å
355	A	98.3	Very high	95.8	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-44.5	177.7	0	0	0	0	0	112	V121 T357 Y358 L359 W377 M379	V121-A355 HydrophobicContact CG1-CB 4.22Å; A355-T357 PolarHBondContact O-N 3.41Å; A355-Y358 PolarHBondContact O-N 3.38Å; A355-L359 WeakPolarHBondContact O-CB 3.41Å; A355-L359 WeakPolarHBondContact O-CG 3.23Å; A355-L359 PolarHBondContact O-N 3.4Å; A355-W377 HydrophobicContact CB-CH2 4.15Å; A355-W377 HydrophobicContact CB-CZ3 4.2Å; A355-M379 HydrophobicContact CB-CE 4.38Å
356	S	97.9	Very high	96.1	Very high	24 Å²	24	43.6 Å²	43.6	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-40.8	178.7	-178	0	0	0	0	112.3	T352 A354 Y358 N360	T352-S356 VanDerWaalsContact O-CB 3.26Å; T352-S356 WeakPolarHBondContact O-CB 3.11Å; T352-S356 PolarHBondContact O-N 2.95Å; A354-S356 PolarHBondContact O-N 3.24Å; S356-Y358 VanDerWaalsContact C-N 3.35Å; S356-N360 WeakPolarHBondContact O-CB 3.5Å; S356-N360 PolarHBondContact O-N 2.66Å; S356-N360 PolarHBondContact O-ND2 3.39Å; S356-N360 PolarHBondContact OG-ND2 2.72Å; S356-N360 VanDerWaalsContact OG-ND2 3.13Å
357	T	98.6	Very high	96.4	Very high	69 Å²	69	44.4 Å²	44.4	42%	0.423	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-44	176.3	-60.8	0	0	0	0	110.9	T353 A354 A355 N361	T353-T357 WeakPolarHBondContact O-CB 3.07Å; T353-T357 PolarHBondContact O-N 3.39Å; T353-T357 PolarHBondContact O-OG1 3.17Å; A354-T357 PolarHBondContact O-N 2.93Å; A355-T357 PolarHBondContact O-N 3.41Å; T357-N361 PolarHBondContact O-N 3.41Å
358	Y	98.8	Very high	96.7	Very high	4 Å²	4	44 Å²	44	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-53.4	179.4	-179.5	-99.3	0	0	0	111.8	L56 P57 L113 V121 G125 L128 A354 A355 S356 N360 N361 V364	L56-Y358 WeakPolarHBondContact CD1-OH 3.33Å; L56-Y358 VanDerWaalsContact CG-OH 3.24Å; L56-Y358 WeakPolarHBondContact CG-OH 2.86Å; P57-Y358 PolarHBondContact O-OH 3.13Å; L113-Y358 HydrophobicContact CD1-CD1 4.04Å; L113-Y358 HydrophobicContact CD2-CE1 4.46Å; V121-Y358 HydrophobicContact CG2-CG 4.1Å; G125-Y358 WeakPolarHBondContact O-CA 3.35Å; G125-Y358 WeakPolarHBondContact O-CB 3.41Å; G125-Y358 PolarHBondContact O-N 3.06Å; L128-Y358 HydrophobicContact CD1-CE1 4.12Å; L128-Y358 HydrophobicContact CD1-CE2 3.97Å; L128-Y358 VanDerWaalsContact CD1-CZ 3.48Å; L128-Y358 WeakPolarHBondContact CD1-OH 3.33Å; L128-Y358 HydrophobicContact CD2-CD1 4.47Å; L128-Y358 HydrophobicContact CD2-CD2 4.29Å; L128-Y358 HydrophobicContact CD2-CE1 4.19Å; L128-Y358 HydrophobicContact CD2-CE2 4.01Å; L128-Y358 HydrophobicContact CG-CD2 4.48Å; L128-Y358 HydrophobicContact CG-CE1 4.46Å; L128-Y358 HydrophobicContact CG-CE2 3.78Å; A354-Y358 WeakPolarHBondContact O-CB 3.45Å; A354-Y358 PolarHBondContact O-N 3.05Å; A355-Y358 PolarHBondContact O-N 3.38Å; S356-Y358 VanDerWaalsContact C-N 3.35Å; Y358-N360 VanDerWaalsContact C-N 3.34Å; Y358-N360 PolarHBondContact O-N 3Å; Y358-N361 WeakPolarHBondContact O-CB 3.49Å; Y358-N361 PolarHBondContact O-N 3.48Å; Y358-N361 VanDerWaalsContact O-N 3.15Å; Y358-V364 HydrophobicContact CD1-CG1 4.1Å; Y358-V364 HydrophobicContact CD2-CG2 4.17Å; Y358-V364 HydrophobicContact CE1-CG1 3.63Å; Y358-V364 HydrophobicContact CE1-CG2 4.17Å; Y358-V364 HydrophobicContact CE2-CG2 3.72Å; Y358-V364 WeakPolarHBondContact O-CB 2.96Å; Y358-V364 WeakPolarHBondContact O-CG2 3.47Å
359	L	98.8	Very high	97.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.5	-27.5	-175	-69.7	174	0	0	0	113.1	W83 L109 L113 F152 A355 N361 V364 R365 L368 W377	W83-L359 HydrophobicContact CZ3-CD2 4.32Å; L109-L359 HydrophobicContact CB-CD1 4.11Å; L109-L359 HydrophobicContact CD1-CD1 3.97Å; L109-L359 HydrophobicContact CD1-CD2 4.07Å; L113-L359 HydrophobicContact CD1-CD1 3.77Å; L113-L359 HydrophobicContact CD1-CD2 3.87Å; L113-L359 HydrophobicContact CD1-CG 3.77Å; F152-L359 HydrophobicContact CE2-CB 4.31Å; F152-L359 HydrophobicContact CE2-CD2 4.25Å; F152-L359 HydrophobicContact CZ-CB 4.12Å; F152-L359 WeakPolarHBondContact CZ-O 3.16Å; A355-L359 WeakPolarHBondContact O-CB 3.41Å; A355-L359 WeakPolarHBondContact O-CG 3.23Å; A355-L359 PolarHBondContact O-N 3.4Å; L359-N361 VanDerWaalsContact C-N 3.28Å; L359-N361 PolarHBondContact O-N 2.67Å; L359-V364 HydrophobicContact CD2-CG1 4.33Å; L359-R365 WeakPolarHBondContact O-CG 3.3Å; L359-L368 HydrophobicContact CD2-CD1 3.88Å; L359-W377 HydrophobicContact CB-CB 4.28Å; L359-W377 HydrophobicContact CB-CD2 4.06Å; L359-W377 HydrophobicContact CB-CE3 4.2Å; L359-W377 HydrophobicContact CB-CG 4.09Å; L359-W377 HydrophobicContact CD1-CD2 3.51Å; L359-W377 HydrophobicContact CD1-CE3 3.84Å; L359-W377 HydrophobicContact CD1-CG 4.08Å; L359-W377 HydrophobicContact CD1-CH2 3.77Å; L359-W377 HydrophobicContact CD1-CZ2 3.45Å; L359-W377 VanDerWaalsContact CD1-CZ2 3.45Å; L359-W377 HydrophobicContact CD1-CZ3 3.96Å; L359-W377 HydrophobicContact CG-CD2 4.45Å
360	N	98.7	Very high	97.5	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.7	174.5	-74.6	-58.5	0	0	0	114.3	S356 Y358 P362 Q376 W377	S356-N360 WeakPolarHBondContact O-CB 3.5Å; S356-N360 PolarHBondContact O-N 2.66Å; S356-N360 PolarHBondContact O-ND2 3.39Å; S356-N360 PolarHBondContact OG-ND2 2.72Å; S356-N360 VanDerWaalsContact OG-ND2 3.13Å; Y358-N360 VanDerWaalsContact C-N 3.34Å; Y358-N360 PolarHBondContact O-N 3Å; N360-P362 WeakPolarHBondContact O-CD 3.14Å; N360-Q376 VanDerWaalsContact OD1-CA 3.27Å; N360-Q376 WeakPolarHBondContact OD1-CA 3.44Å; N360-Q376 WeakPolarHBondContact OD1-CB 3.38Å; N360-W377 PolarHBondContact ND2-O 3.49Å; N360-W377 PolarHBondContact OD1-N 3.4Å
361	N	98.7	Very high	97.9	Very high	54 Å²	54	46 Å²	46	29%	0.289	24%	0.244	S	C	.	.	S	Bend	trans	-63.7	126.3	173.7	-175.4	-54.2	0	0	0	110.1	T357 Y358 L359 Y363 V364 R365	T357-N361 PolarHBondContact O-N 3.41Å; Y358-N361 WeakPolarHBondContact O-CB 3.49Å; Y358-N361 PolarHBondContact O-N 3.48Å; Y358-N361 VanDerWaalsContact O-N 3.15Å; L359-N361 VanDerWaalsContact C-N 3.28Å; L359-N361 PolarHBondContact O-N 2.67Å; N361-Y363 PolarHBondContact O-N 3.44Å; N361-Y363 VanDerWaalsContact O-N 3.15Å; N361-Y363 WeakPolarHBondContact OD1-CB 3.43Å; N361-Y363 VanDerWaalsContact OD1-CD2 3.32Å; N361-Y363 WeakPolarHBondContact OD1-CD2 3.22Å; N361-Y363 PolarHBondContact OD1-N 3.21Å; N361-V364 HydrophobicContact CB-CB 4.05Å; N361-V364 HydrophobicContact CB-CG2 3.83Å; N361-V364 WeakPolarHBondContact O-CB 3.33Å; N361-V364 PolarHBondContact O-N 2.86Å; N361-R365 PolarHBondContact O-N 3.45Å
362	P	98.6	Very high	98.2	Very high	95 Å²	95	49.6 Å²	49.6	62%	0.617	26%	0.257	S	S	*	.	H	α-helix	trans	-56.7	-33.2	-178.2	-27.3	35	0	0	0	114.4	N360 K366	N360-P362 WeakPolarHBondContact O-CD 3.14Å; P362-K366 WeakPolarHBondContact O-CB 3.33Å; P362-K366 PolarHBondContact O-N 3.13Å
363	Y	98.4	Very high	98.3	Very high	174 Å²	174	56.2 Å²	56.2	68%	0.682	29%	0.288	S	S	*	.	H	α-helix	trans	-73.5	-34.2	177.3	-57.7	-72.9	0	0	0	112.1	N361 A367	N361-Y363 PolarHBondContact O-N 3.44Å; N361-Y363 VanDerWaalsContact O-N 3.15Å; N361-Y363 WeakPolarHBondContact OD1-CB 3.43Å; N361-Y363 VanDerWaalsContact OD1-CD2 3.32Å; N361-Y363 WeakPolarHBondContact OD1-CD2 3.22Å; N361-Y363 PolarHBondContact OD1-N 3.21Å; Y363-A367 WeakPolarHBondContact O-CB 3.12Å; Y363-A367 PolarHBondContact O-N 3.2Å
364	V	98.8	Very high	98.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-68.3	-48.1	173.5	174.4	0	0	0	0	109.5	P57 Y358 L359 N361 K366 A367 L368	P57-V364 HydrophobicContact CB-CG2 3.85Å; P57-V364 HydrophobicContact CG-CG2 3.84Å; Y358-V364 HydrophobicContact CD1-CG1 4.1Å; Y358-V364 HydrophobicContact CD2-CG2 4.17Å; Y358-V364 HydrophobicContact CE1-CG1 3.63Å; Y358-V364 HydrophobicContact CE1-CG2 4.17Å; Y358-V364 HydrophobicContact CE2-CG2 3.72Å; Y358-V364 WeakPolarHBondContact O-CB 2.96Å; Y358-V364 WeakPolarHBondContact O-CG2 3.47Å; L359-V364 HydrophobicContact CD2-CG1 4.33Å; N361-V364 HydrophobicContact CB-CB 4.05Å; N361-V364 HydrophobicContact CB-CG2 3.83Å; N361-V364 WeakPolarHBondContact O-CB 3.33Å; N361-V364 PolarHBondContact O-N 2.86Å; V364-K366 VanDerWaalsContact C-N 3.28Å; V364-K366 PolarHBondContact O-N 3.36Å; V364-A367 PolarHBondContact O-N 3.22Å; V364-L368 HydrophobicContact CG1-CD1 3.78Å; V364-L368 HydrophobicContact CG1-CG 4.27Å; V364-L368 WeakPolarHBondContact O-CB 3.14Å; V364-L368 WeakPolarHBondContact O-CG 3.45Å; V364-L368 PolarHBondContact O-N 3.18Å
365	R	98.8	Very high	98.4	Very high	32 Å²	32	57.2 Å²	57.2	12%	0.121	29%	0.293	C	S	.	.	H	α-helix	trans	-54.9	-43.6	174.5	-70.2	-176.3	65.6	140.4	-4.6	112.3	F152 L359 N361 L368 N369 I370 P371 L374 P375	F152-R365 HydrophobicContact CE1-CG 4.16Å; F152-R365 HydrophobicContact CZ-CG 4.08Å; L359-R365 WeakPolarHBondContact O-CG 3.3Å; N361-R365 PolarHBondContact O-N 3.45Å; R365-L368 CarbonylContact O-C 3.53Å; R365-L368 PolarHBondContact O-N 3Å; R365-N369 PolarHBondContact O-N 3.12Å; R365-I370 HydrophobicContact CB-CB 4.04Å; R365-I370 HydrophobicContact CB-CG1 4.25Å; R365-I370 HydrophobicContact CG-CB 4.49Å; R365-I370 WeakPolarHBondContact O-CB 3.34Å; R365-I370 WeakPolarHBondContact O-CG1 3.17Å; R365-I370 PolarHBondContact O-N 3.35Å; R365-P371 PolarHBondContact NH2-O 2.82Å; R365-L374 PolarHBondContact NH2-O 2.7Å; R365-P375 PolarHBondContact NH1-O 2.86Å; R365-P375 PolarHBondContact NH2-O 2.72Å
366	K	98.8	Very high	98.4	Very high	155 Å²	155	62.8 Å²	62.8	67%	0.674	32%	0.318	S	S	*	.	H	α-helix	trans	-64.4	-42.9	175.5	-174.7	173.4	-177.9	171.7	0	112.5	P362 V364 L368 N369	P362-K366 WeakPolarHBondContact O-CB 3.33Å; P362-K366 PolarHBondContact O-N 3.13Å; V364-K366 VanDerWaalsContact C-N 3.28Å; V364-K366 PolarHBondContact O-N 3.36Å; K366-L368 PolarHBondContact O-N 2.94Å; K366-N369 PolarHBondContact O-N 2.72Å
367	A	98.6	Very high	98.4	Very high	18 Å²	18	61.7 Å²	61.7	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-28.2	177.7	0	0	0	0	0	112.9	R55 Y363 V364 N369	R55-A367 WeakPolarHBondContact O-CB 3.29Å; Y363-A367 WeakPolarHBondContact O-CB 3.12Å; Y363-A367 PolarHBondContact O-N 3.2Å; V364-A367 PolarHBondContact O-N 3.22Å; A367-N369 VanDerWaalsContact C-N 3.33Å
368	L	98.8	Very high	98.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	11.9	176.6	-62.4	179.2	0	0	0	113.3	I53 L56 S69 W83 L359 V364 R365 K366 I370	I53-L368 HydrophobicContact CD1-CD2 3.55Å; I53-L368 HydrophobicContact CG1-CD2 4.1Å; L56-L368 HydrophobicContact CD1-CD2 3.99Å; L56-L368 HydrophobicContact CD1-CG 4.48Å; S69-L368 WeakPolarHBondContact CB-O 3.38Å; S69-L368 PolarHBondContact OG-O 2.66Å; W83-L368 HydrophobicContact CD2-CD2 3.9Å; W83-L368 HydrophobicContact CE3-CD1 4.04Å; W83-L368 HydrophobicContact CE3-CD2 3.74Å; W83-L368 HydrophobicContact CH2-CD1 4.18Å; W83-L368 HydrophobicContact CH2-CD2 3.57Å; W83-L368 HydrophobicContact CH2-CG 4.44Å; W83-L368 HydrophobicContact CZ2-CD2 3.66Å; W83-L368 HydrophobicContact CZ3-CD1 3.62Å; W83-L368 HydrophobicContact CZ3-CD2 3.6Å; W83-L368 HydrophobicContact CZ3-CG 4.25Å; L359-L368 HydrophobicContact CD2-CD1 3.88Å; V364-L368 HydrophobicContact CG1-CD1 3.78Å; V364-L368 HydrophobicContact CG1-CG 4.27Å; V364-L368 WeakPolarHBondContact O-CB 3.14Å; V364-L368 WeakPolarHBondContact O-CG 3.45Å; V364-L368 PolarHBondContact O-N 3.18Å; R365-L368 CarbonylContact O-C 3.53Å; R365-L368 PolarHBondContact O-N 3Å; K366-L368 PolarHBondContact O-N 2.94Å; L368-I370 HydrophobicContact CB-CD1 3.98Å; L368-I370 HydrophobicContact CB-CG1 3.84Å; L368-I370 WeakPolarHBondContact O-CD1 3.31Å; L368-I370 PolarHBondContact O-N 3.43Å; L368-I370 VanDerWaalsContact O-N 3.16Å
369	N	98.6	Very high	98.4	Very high	59 Å²	59	60.4 Å²	60.4	32%	0.316	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	33.1	178.6	-51.4	-49.8	0	0	0	113.9	Q50 D51 S69 R365 K366 A367 P371	Q50-N369 PolarHBondContact O-ND2 2.99Å; D51-N369 WeakPolarHBondContact CA-ND2 3.26Å; D51-N369 PolarHBondContact O-ND2 3.09Å; D51-N369 VanDerWaalsContact O-ND2 3.16Å; S69-N369 PolarHBondContact O-ND2 3.36Å; R365-N369 PolarHBondContact O-N 3.12Å; K366-N369 PolarHBondContact O-N 2.72Å; A367-N369 VanDerWaalsContact C-N 3.33Å; N369-P371 WeakPolarHBondContact O-CD 3.34Å
370	I	98.8	Very high	98.3	Very high	10 Å²	10	60.5 Å²	60.5	5%	0.051	30%	0.301	C	S	.	.			trans	-79.1	125.5	-179.7	-51.7	-54.3	0	0	0	109.8	H81 F152 R365 L368 E372 L374	H81-I370 VanDerWaalsContact CD2-CD1 3.4Å; H81-I370 WeakPolarHBondContact CD2-CD1 3.27Å; H81-I370 VanDerWaalsContact NE2-CD1 3.32Å; H81-I370 WeakPolarHBondContact NE2-CD1 3.34Å; F152-I370 HydrophobicContact CB-CD1 3.9Å; F152-I370 HydrophobicContact CB-CG2 4.41Å; F152-I370 HydrophobicContact CD1-CD1 4.25Å; F152-I370 HydrophobicContact CD1-CG1 4.22Å; F152-I370 HydrophobicContact CD1-CG2 3.56Å; F152-I370 HydrophobicContact CD2-CD1 3.56Å; F152-I370 HydrophobicContact CD2-CG1 4.04Å; F152-I370 HydrophobicContact CE1-CG1 4.25Å; F152-I370 HydrophobicContact CE1-CG2 3.9Å; F152-I370 HydrophobicContact CE2-CD1 4.07Å; F152-I370 HydrophobicContact CE2-CG1 4.09Å; F152-I370 HydrophobicContact CG-CD1 3.66Å; F152-I370 HydrophobicContact CG-CG1 4.1Å; F152-I370 HydrophobicContact CG-CG2 4.03Å; F152-I370 HydrophobicContact CZ-CG1 4.2Å; R365-I370 HydrophobicContact CB-CB 4.04Å; R365-I370 HydrophobicContact CB-CG1 4.25Å; R365-I370 HydrophobicContact CG-CB 4.49Å; R365-I370 WeakPolarHBondContact O-CB 3.34Å; R365-I370 WeakPolarHBondContact O-CG1 3.17Å; R365-I370 PolarHBondContact O-N 3.35Å; L368-I370 HydrophobicContact CB-CD1 3.98Å; L368-I370 HydrophobicContact CB-CG1 3.84Å; L368-I370 WeakPolarHBondContact O-CD1 3.31Å; L368-I370 PolarHBondContact O-N 3.43Å; L368-I370 VanDerWaalsContact O-N 3.16Å; I370-E372 PolarHBondContact O-N 2.96Å; I370-L374 HydrophobicContact CG2-CB 4.49Å; I370-L374 HydrophobicContact CG2-CD1 4.06Å
371	P	98.4	Very high	98.3	Very high	31 Å²	31	60.3 Å²	60.3	20%	0.201	30%	0.3	C	S	.	.			trans	-57.5	131.1	173.9	-20.3	27.8	0	0	0	111.9	Y71 R365 N369 Q373 L374	Y71-P371 VanDerWaalsContact CE2-CD 3.48Å; Y71-P371 HydrophobicContact CE2-CG 4.08Å; Y71-P371 WeakPolarHBondContact OH-CD 3.46Å; R365-P371 PolarHBondContact NH2-O 2.82Å; N369-P371 WeakPolarHBondContact O-CD 3.34Å; P371-Q373 VanDerWaalsContact CB-CD 3.4Å; P371-Q373 VanDerWaalsContact CB-NE2 3.32Å; P371-Q373 PolarHBondContact O-N 2.87Å; P371-Q373 VanDerWaalsContact O-N 3.15Å; P371-L374 HydrophobicContact CB-CD1 4.39Å; P371-L374 HydrophobicContact CB-CG 4.17Å; P371-L374 HydrophobicContact CG-CD1 4.13Å; P371-L374 HydrophobicContact CG-CG 4.4Å; P371-L374 WeakPolarHBondContact O-CB 3.17Å; P371-L374 PolarHBondContact O-N 2.83Å; P371-L374 VanDerWaalsContact O-N 3.1Å
372	E	97.8	Very high	98.2	Very high	182 Å²	182	58.3 Å²	58.3	85%	0.85	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.3	-174.3	-65.2	-175.2	-175.4	0	0	112.8	I370 L374	I370-E372 PolarHBondContact O-N 2.96Å; E372-L374 VanDerWaalsContact C-N 3.3Å; E372-L374 PolarHBondContact O-N 2.87Å
373	Q	97.7	Very high	98	Very high	143 Å²	143	57 Å²	57	67%	0.668	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-13	179	73.9	-83.4	16	0	0	114.6	P371	P371-Q373 VanDerWaalsContact CB-CD 3.4Å; P371-Q373 VanDerWaalsContact CB-NE2 3.32Å; P371-Q373 PolarHBondContact O-N 2.87Å; P371-Q373 VanDerWaalsContact O-N 3.15Å
374	L	98.3	Very high	98	Very high	18 Å²	18	48.7 Å²	48.7	9%	0.094	24%	0.244	C	C	.	.	S	Bend	trans	-71	147.6	-179.9	-67.3	-176.7	0	0	0	111.2	Y71 F152 Y154 R365 I370 P371 E372	Y71-L374 HydrophobicContact CE1-CD1 4.45Å; Y71-L374 WeakPolarHBondContact OH-CD1 3.21Å; F152-L374 VanDerWaalsContact O-CD1 3.29Å; F152-L374 WeakPolarHBondContact O-CD1 3.46Å; Y154-L374 HydrophobicContact CD1-CD1 3.78Å; Y154-L374 HydrophobicContact CD1-CD2 3.59Å; Y154-L374 HydrophobicContact CD1-CG 4.32Å; Y154-L374 HydrophobicContact CD2-CD2 4.09Å; Y154-L374 HydrophobicContact CE1-CD1 4.12Å; Y154-L374 HydrophobicContact CE1-CD2 4.15Å; Y154-L374 HydrophobicContact CG-CD2 3.55Å; R365-L374 PolarHBondContact NH2-O 2.7Å; I370-L374 HydrophobicContact CG2-CB 4.49Å; I370-L374 HydrophobicContact CG2-CD1 4.06Å; P371-L374 HydrophobicContact CB-CD1 4.39Å; P371-L374 HydrophobicContact CB-CG 4.17Å; P371-L374 HydrophobicContact CG-CD1 4.13Å; P371-L374 HydrophobicContact CG-CG 4.4Å; P371-L374 WeakPolarHBondContact O-CB 3.17Å; P371-L374 PolarHBondContact O-N 2.83Å; P371-L374 VanDerWaalsContact O-N 3.1Å; E372-L374 VanDerWaalsContact C-N 3.3Å; E372-L374 PolarHBondContact O-N 2.87Å
375	P	97.3	Very high	98	Very high	89 Å²	89	49.2 Å²	49.2	58%	0.578	25%	0.247	S	C	*	.			trans	-63	175.8	177.8	30	-36.6	0	0	0	111.8	R365	R365-P375 PolarHBondContact NH1-O 2.86Å; R365-P375 PolarHBondContact NH2-O 2.72Å
376	Q	97.4	Very high	97.8	Very high	121 Å²	121	49.5 Å²	49.5	57%	0.565	25%	0.25	S	S	*	.			trans	-57.3	149.6	170.7	71.2	-177.3	-2.8	0	0	110.8	N360 D378	N360-Q376 VanDerWaalsContact OD1-CA 3.27Å; N360-Q376 WeakPolarHBondContact OD1-CA 3.44Å; N360-Q376 WeakPolarHBondContact OD1-CB 3.38Å; Q376-D378 PolarHBondContact NE2-OD2 3.1Å
377	W	98.6	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.			trans	-76.4	130.1	169.8	-174.6	94	0	0	0	110.1	S107 L109 E145 F152 A355 L359 N360 M379	S107-W377 WeakPolarHBondContact OG-CZ2 3.3Å; L109-W377 HydrophobicContact CB-CZ2 4.33Å; E145-W377 PolarHBondContact OE1-NE1 3.12Å; F152-W377 HydrophobicContact CD1-CB 4.22Å; F152-W377 AromaticContact CD2-CD1 3.67Å; F152-W377 HydrophobicContact CE1-CB 3.59Å; F152-W377 HydrophobicContact CE1-CG 4.23Å; F152-W377 HydrophobicContact CE2-CB 4.3Å; F152-W377 AromaticContact CE2-CD1 3.59Å; F152-W377 HydrophobicContact CE2-CG 4.14Å; F152-W377 AromaticContact CG-CD1 3.97Å; F152-W377 HydrophobicContact CZ-CB 3.63Å; F152-W377 AromaticContact CZ-CD1 3.82Å; F152-W377 AromaticContact CZ-CG 3.96Å; F152-W377 HydrophobicContact CZ-CG 3.96Å; A355-W377 HydrophobicContact CB-CH2 4.15Å; A355-W377 HydrophobicContact CB-CZ3 4.2Å; L359-W377 HydrophobicContact CB-CB 4.28Å; L359-W377 HydrophobicContact CB-CD2 4.06Å; L359-W377 HydrophobicContact CB-CE3 4.2Å; L359-W377 HydrophobicContact CB-CG 4.09Å; L359-W377 HydrophobicContact CD1-CD2 3.51Å; L359-W377 HydrophobicContact CD1-CE3 3.84Å; L359-W377 HydrophobicContact CD1-CG 4.08Å; L359-W377 HydrophobicContact CD1-CH2 3.77Å; L359-W377 HydrophobicContact CD1-CZ2 3.45Å; L359-W377 VanDerWaalsContact CD1-CZ2 3.45Å; L359-W377 HydrophobicContact CD1-CZ3 3.96Å; L359-W377 HydrophobicContact CG-CD2 4.45Å; N360-W377 PolarHBondContact ND2-O 3.49Å; N360-W377 PolarHBondContact OD1-N 3.4Å; W377-M379 VanDerWaalsContact CH2-CA 3.49Å; W377-M379 HydrophobicContact CH2-CB 3.67Å; W377-M379 HydrophobicContact CH2-CE 4.42Å; W377-M379 HydrophobicContact CH2-CG 4.15Å; W377-M379 HydrophobicContact CZ2-CB 4.42Å; W377-M379 HydrophobicContact CZ3-CB 3.99Å
378	D	97.8	Very high	97.7	Very high	38 Å²	38	45.9 Å²	45.9	20%	0.203	23%	0.233	C	C	.	.			trans	-123.9	142	169.1	-72.4	-55.1	0	0	0	108.1	R344 Q376 C380	R344-D378 WeakPolarHBondContact CD-OD1 3.47Å; Q376-D378 PolarHBondContact NE2-OD2 3.1Å; D378-C380 VanDerWaalsContact C-N 3.28Å; D378-C380 PolarHBondContact O-N 3.05Å
379	M	98.1	Very high	97.7	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.044	26%	0.264	C	S	.	.	S	Bend	trans	-60.3	-39.7	-177.9	-177.6	179.3	-80.1	0	0	111.8	C106 S107 D110 P347 T352 A355 W377	C106-M379 CarbonylContact C-O 3.54Å; C106-M379 VanDerWaalsContact CA-O 3.23Å; C106-M379 WeakPolarHBondContact CA-O 3.39Å; S107-M379 PolarHBondContact N-O 3.49Å; D110-M379 HydrophobicContact CB-CE 4.13Å; D110-M379 HydrophobicContact CB-CG 4.44Å; D110-M379 HydrophobicContact CB-SD 4.48Å; D110-M379 WeakPolarHBondContact OD1-CE 3.32Å; P347-M379 HydrophobicContact CG-CG 4.28Å; P347-M379 HydrophobicContact CG-SD 3.56Å; P347-M379 VanDerWaalsContact CG-SD 3.56Å; T352-M379 HydrophobicContact CG2-CB 3.94Å; T352-M379 HydrophobicContact CG2-CE 3.95Å; T352-M379 HydrophobicContact CG2-CG 4.34Å; T352-M379 HydrophobicContact CG2-SD 3.46Å; T352-M379 WeakPolarHBondContact CG2-SD 3.49Å; A355-M379 HydrophobicContact CB-CE 4.38Å; W377-M379 VanDerWaalsContact CH2-CA 3.49Å; W377-M379 HydrophobicContact CH2-CB 3.67Å; W377-M379 HydrophobicContact CH2-CE 4.42Å; W377-M379 HydrophobicContact CH2-CG 4.15Å; W377-M379 HydrophobicContact CZ2-CB 4.42Å; W377-M379 HydrophobicContact CZ3-CB 3.99Å
380	C	98.3	Very high	97.7	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-129.3	132.9	171.5	-55.1	0	0	0	0	111.1	G105 C106 M345 D378 F382	G105-C380 CarbonylContact O-C 3.58Å; G105-C380 VanDerWaalsContact O-CA 3.29Å; G105-C380 WeakPolarHBondContact O-CA 3.47Å; C106-C380 HydrophobicContact CB-CB 4.1Å; C106-C380 WeakPolarHBondContact CB-SG 3.35Å; C106-C380 WeakPolarHBondContact SG-CB 3.14Å; C106-C380 CovalentContact SG-SG 2.04Å; C106-C380 PolarHBondContact SG-SG 3.34Å; M345-C380 HydrophobicContact CB-CB 4.1Å; M345-C380 HydrophobicContact CG-CB 3.85Å; M345-C380 WeakPolarHBondContact O-CB 3.33Å; M345-C380 HydrophobicContact SD-CB 4.4Å; D378-C380 VanDerWaalsContact C-N 3.28Å; D378-C380 PolarHBondContact O-N 3.05Å; C380-F382 PolarHBondContact O-N 3.19Å
381	N	97.9	Very high	97.7	Very high	36 Å²	36	56 Å²	56	19%	0.193	27%	0.27	C	S	.	.			trans	-85.3	111.7	175	-172.7	-47.9	0	0	0	110.4	G105 G149 L383 V384 N385	G105-N381 PolarHBondContact O-N 2.83Å; G149-N381 PolarHBondContact O-ND2 2.73Å; N381-L383 VanDerWaalsContact C-N 3.32Å; N381-L383 PolarHBondContact O-N 2.94Å; N381-L383 WeakPolarHBondContact OD1-CA 3.35Å; N381-L383 WeakPolarHBondContact OD1-CB 3.4Å; N381-L383 PolarHBondContact OD1-N 3.06Å; N381-V384 HydrophobicContact CB-CB 3.99Å; N381-V384 HydrophobicContact CB-CG2 3.75Å; N381-V384 PolarHBondContact O-N 3.1Å; N381-V384 PolarHBondContact OD1-N 3.11Å; N381-N385 PolarHBondContact O-N 3.33Å; N381-N385 VanDerWaalsContact O-N 3.09Å
382	F	95.9	Very high	97.7	Very high	12 Å²	12	57.9 Å²	57.9	5%	0.053	27%	0.274	C	S	.	.	H	α-helix	trans	-56.2	-41.9	178.7	171.8	-114.5	0	0	0	113.3	V316 H333 L336 L337 V343 M345 C380 N385 L386	V316-F382 HydrophobicContact CB-CE2 4.5Å; V316-F382 HydrophobicContact CG2-CE2 4.21Å; H333-F382 HydrophobicContact CB-CE2 4.49Å; H333-F382 HydrophobicContact CB-CZ 4.4Å; L336-F382 HydrophobicContact CD1-CZ 4.42Å; L337-F382 HydrophobicContact CD2-CD1 4.29Å; L337-F382 HydrophobicContact CD2-CE1 3.68Å; L337-F382 HydrophobicContact CG-CE1 4.21Å; V343-F382 HydrophobicContact CB-CD1 3.94Å; V343-F382 HydrophobicContact CB-CE1 4.07Å; V343-F382 HydrophobicContact CB-CG 4.49Å; V343-F382 HydrophobicContact CG1-CD1 3.61Å; V343-F382 HydrophobicContact CG1-CD2 4.01Å; V343-F382 HydrophobicContact CG1-CE1 3.66Å; V343-F382 HydrophobicContact CG1-CE2 4.07Å; V343-F382 HydrophobicContact CG1-CG 3.78Å; V343-F382 HydrophobicContact CG1-CZ 3.89Å; V343-F382 HydrophobicContact CG2-CE1 4.47Å; M345-F382 HydrophobicContact CB-CB 3.93Å; M345-F382 HydrophobicContact CE-CD2 4.09Å; C380-F382 PolarHBondContact O-N 3.19Å; F382-N385 PolarHBondContact O-N 2.75Å; F382-L386 HydrophobicContact CE1-CD2 3.95Å; F382-L386 HydrophobicContact CE2-CB 4.46Å; F382-L386 HydrophobicContact CE2-CD2 4.41Å; F382-L386 HydrophobicContact CZ-CD2 3.73Å; F382-L386 VanDerWaalsContact O-CB 3.23Å; F382-L386 WeakPolarHBondContact O-CB 3.38Å; F382-L386 PolarHBondContact O-N 3.28Å
383	L	95.9	Very high	97.6	Very high	68 Å²	68	53.6 Å²	53.6	36%	0.356	25%	0.25	S	C	.	.	H	α-helix	trans	-68.9	-43	-177.9	-66.5	177.1	0	0	0	111.5	L337 N381 N385 L386 Q387	L337-L383 HydrophobicContact CD1-CD2 4.19Å; L337-L383 HydrophobicContact CD2-CD2 3.44Å; L337-L383 VanDerWaalsContact CD2-CD2 3.44Å; L337-L383 HydrophobicContact CG-CD2 4.45Å; N381-L383 VanDerWaalsContact C-N 3.32Å; N381-L383 PolarHBondContact O-N 2.94Å; N381-L383 WeakPolarHBondContact OD1-CA 3.35Å; N381-L383 WeakPolarHBondContact OD1-CB 3.4Å; N381-L383 PolarHBondContact OD1-N 3.06Å; L383-N385 VanDerWaalsContact C-N 3.35Å; L383-N385 PolarHBondContact O-N 3.28Å; L383-L386 PolarHBondContact O-N 3.21Å; L383-Q387 VanDerWaalsContact O-CB 3.29Å; L383-Q387 WeakPolarHBondContact O-CB 3.47Å; L383-Q387 VanDerWaalsContact O-CG 3.3Å; L383-Q387 WeakPolarHBondContact O-CG 3.43Å; L383-Q387 PolarHBondContact O-N 3.41Å
384	V	97.9	Very high	97.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.7	-53.8	174.1	174.2	0	0	0	0	108.9	P147 V150 N381 L386 Q387 Y388	P147-V384 HydrophobicContact CG-CG1 3.76Å; V150-V384 HydrophobicContact CG2-CG1 4.17Å; V150-V384 HydrophobicContact CG2-CG2 4.28Å; N381-V384 HydrophobicContact CB-CB 3.99Å; N381-V384 HydrophobicContact CB-CG2 3.75Å; N381-V384 PolarHBondContact O-N 3.1Å; N381-V384 PolarHBondContact OD1-N 3.11Å; V384-L386 PolarHBondContact O-N 3.13Å; V384-Q387 PolarHBondContact O-N 2.98Å; V384-Y388 VanDerWaalsContact O-CB 3.26Å; V384-Y388 WeakPolarHBondContact O-CB 3.29Å; V384-Y388 PolarHBondContact O-N 3.36Å
385	N	97.6	Very high	97.7	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-47.1	-178.6	-175	-86.9	0	0	0	113	P104 L319 M345 N381 F382 L383 Q387 Y388	P104-N385 WeakPolarHBondContact O-CB 3.45Å; P104-N385 PolarHBondContact O-ND2 3.13Å; L319-N385 PolarHBondContact O-ND2 3.3Å; L319-N385 PolarHBondContact O-OD1 3.42Å; M345-N385 HydrophobicContact CE-CB 4.01Å; M345-N385 WeakPolarHBondContact CE-OD1 3.4Å; M345-N385 HydrophobicContact SD-CB 3.49Å; M345-N385 WeakPolarHBondContact SD-CB 3.2Å; M345-N385 VanDerWaalsContact SD-CG 3.57Å; N381-N385 PolarHBondContact O-N 3.33Å; N381-N385 VanDerWaalsContact O-N 3.09Å; F382-N385 PolarHBondContact O-N 2.75Å; L383-N385 VanDerWaalsContact C-N 3.35Å; L383-N385 PolarHBondContact O-N 3.28Å; N385-Q387 VanDerWaalsContact C-N 3.33Å; N385-Q387 PolarHBondContact O-N 2.77Å; N385-Y388 WeakPolarHBondContact O-CB 3.31Å; N385-Y388 PolarHBondContact O-N 2.85Å
386	L	95.3	Very high	97.7	Very high	37 Å²	37	45.7 Å²	45.7	19%	0.194	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-36.4	-177.4	179.8	63.8	0	0	0	112.6	H333 L337 F382 L383 V384	H333-L386 HydrophobicContact CB-CD1 3.81Å; L337-L386 HydrophobicContact CD1-CD2 3.56Å; L337-L386 HydrophobicContact CG-CD2 4.01Å; F382-L386 HydrophobicContact CE1-CD2 3.95Å; F382-L386 HydrophobicContact CE2-CB 4.46Å; F382-L386 HydrophobicContact CE2-CD2 4.41Å; F382-L386 HydrophobicContact CZ-CD2 3.73Å; F382-L386 VanDerWaalsContact O-CB 3.23Å; F382-L386 WeakPolarHBondContact O-CB 3.38Å; F382-L386 PolarHBondContact O-N 3.28Å; L383-L386 PolarHBondContact O-N 3.21Å; V384-L386 PolarHBondContact O-N 3.13Å
387	Q	96.8	Very high	97.8	Very high	88 Å²	88	43.4 Å²	43.4	41%	0.411	21%	0.207	S	C	.	.	H	α-helix	trans	-89.7	-6.5	180	-63.1	177.9	-38.3	0	0	112.7	A161 L383 V384 N385 R389	A161-Q387 HydrophobicContact CB-CB 3.87Å; L383-Q387 VanDerWaalsContact O-CB 3.29Å; L383-Q387 WeakPolarHBondContact O-CB 3.47Å; L383-Q387 VanDerWaalsContact O-CG 3.3Å; L383-Q387 WeakPolarHBondContact O-CG 3.43Å; L383-Q387 PolarHBondContact O-N 3.41Å; V384-Q387 PolarHBondContact O-N 2.98Å; N385-Q387 VanDerWaalsContact C-N 3.33Å; N385-Q387 PolarHBondContact O-N 2.77Å; Q387-R389 PolarHBondContact O-N 3.28Å
388	Y	98.5	Very high	97.8	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.039	21%	0.21	C	C	.	.			trans	-69	123	-175.9	-160.2	-80.7	0	0	0	112.2	P104 T162 D164 V167 Y197 Y201 V384 N385 R390	P104-Y388 HydrophobicContact CB-CD1 4.05Å; P104-Y388 HydrophobicContact CB-CD2 3.61Å; P104-Y388 HydrophobicContact CB-CE1 4.24Å; P104-Y388 HydrophobicContact CB-CE2 3.79Å; P104-Y388 HydrophobicContact CB-CG 3.75Å; P104-Y388 HydrophobicContact CG-CD1 3.73Å; P104-Y388 HydrophobicContact CG-CD2 4Å; P104-Y388 HydrophobicContact CG-CE1 4.28Å; P104-Y388 HydrophobicContact CG-CE2 4.49Å; P104-Y388 HydrophobicContact CG-CG 3.58Å; T162-Y388 HydrophobicContact CG2-CD2 3.79Å; T162-Y388 HydrophobicContact CG2-CE2 3.75Å; D164-Y388 VanDerWaalsContact CA-OH 3.31Å; D164-Y388 WeakPolarHBondContact CA-OH 3.35Å; D164-Y388 PolarHBondContact N-OH 2.84Å; D164-Y388 WeakPolarHBondContact OD1-CE1 3.27Å; D164-Y388 PolarHBondContact OD1-OH 3.44Å; V167-Y388 HydrophobicContact CG2-CE2 3.84Å; Y197-Y388 AromaticContact CE1-CE1 3.98Å; Y197-Y388 HydrophobicContact CE1-CE1 3.98Å; Y197-Y388 AromaticContact CZ-CE1 3.94Å; Y197-Y388 WeakPolarHBondContact OH-CE1 3.15Å; Y201-Y388 HydrophobicContact CE1-CE2 4.44Å; Y201-Y388 WeakPolarHBondContact CE1-OH 3.41Å; V384-Y388 VanDerWaalsContact O-CB 3.26Å; V384-Y388 WeakPolarHBondContact O-CB 3.29Å; V384-Y388 PolarHBondContact O-N 3.36Å; N385-Y388 WeakPolarHBondContact O-CB 3.31Å; N385-Y388 PolarHBondContact O-N 2.85Å; Y388-R390 HydrophobicContact CD1-CG 4.18Å; Y388-R390 HydrophobicContact CE1-CG 4.48Å; Y388-R390 PolarHBondContact O-NH1 2.83Å
389	R	98.6	Very high	97.9	Very high	175 Å²	175	42.3 Å²	42.3	66%	0.66	20%	0.201	S	C	*	.	B	Isolated β-bridge	trans	-97.1	107.6	176.5	-173.9	-177.5	178.8	-179.1	-0.4	111.6	T162 N163 Q387 L391	T162-R389 PolarHBondContact O-N 3.22Å; N163-R389 VanDerWaalsContact CA-O 3.31Å; N163-R389 WeakPolarHBondContact CA-O 3.43Å; N163-R389 HydrophobicContact CB-CB 3.97Å; N163-R389 VanDerWaalsContact CB-O 3.23Å; N163-R389 WeakPolarHBondContact CB-O 3.42Å; Q387-R389 PolarHBondContact O-N 3.28Å; R389-L391 HydrophobicContact CG-CD2 3.84Å; R389-L391 PolarHBondContact O-N 3.46Å
390	R	98.3	Very high	97.9	Very high	45 Å²	45	45 Å²	45	17%	0.17	22%	0.215	C	C	.	.			trans	-73.1	118.6	172.2	-62.8	155.5	178.6	83.1	-6.4	110.1	P104 Y197 Y229 L319 G320 N321 Y388	P104-R390 VanDerWaalsContact CD-NH2 3.28Å; Y197-R390 HydrophobicContact CE2-CG 4.17Å; Y197-R390 VanDerWaalsContact OH-CG 3.32Å; Y197-R390 WeakPolarHBondContact OH-CG 3.46Å; Y229-R390 VanDerWaalsContact OH-CD 3.27Å; Y229-R390 WeakPolarHBondContact OH-CD 3.46Å; Y229-R390 WeakPolarHBondContact OH-CG 3.19Å; L319-R390 PolarHBondContact O-NH2 3.49Å; G320-R390 PolarHBondContact O-NE 3.42Å; G320-R390 PolarHBondContact O-NH2 3.32Å; N321-R390 PolarHBondContact OD1-NE 3.42Å; N321-R390 PolarHBondContact OD1-NH2 2.82Å; Y388-R390 HydrophobicContact CD1-CG 4.18Å; Y388-R390 HydrophobicContact CE1-CG 4.48Å; Y388-R390 PolarHBondContact O-NH1 2.83Å
391	L	98.4	Very high	97.9	Very high	62 Å²	62	49.4 Å²	49.4	33%	0.325	23%	0.234	S	C	.	.			trans	-103.9	-45.3	-176.4	-61	-179.2	0	0	0	111.6	N163 D164 T165 R389	N163-L391 HydrophobicContact CB-CD1 3.89Å; N163-L391 HydrophobicContact CB-CG 4.12Å; N163-L391 WeakPolarHBondContact OD1-CD1 3.19Å; D164-L391 HydrophobicContact CB-CB 4.45Å; D164-L391 PolarHBondContact OD2-N 2.97Å; T165-L391 HydrophobicContact CG2-CD1 3.96Å; R389-L391 HydrophobicContact CG-CD2 3.84Å; R389-L391 PolarHBondContact O-N 3.46Å
392	Y	98.3	Very high	98	Very high	70 Å²	70	47.7 Å²	47.7	28%	0.275	23%	0.225	S	C	.	.			trans	-85.8	138.3	-176.7	-60.9	-76.6	0	0	0	111.9	D164 T165 T204 Y229 M395 Q398	D164-Y392 HydrophobicContact CB-CD2 3.56Å; D164-Y392 HydrophobicContact CB-CE2 3.71Å; D164-Y392 PolarHBondContact OD2-N 3.07Å; T165-Y392 HydrophobicContact CG2-CE2 4.08Å; T165-Y392 WeakPolarHBondContact CG2-OH 3.33Å; T204-Y392 HydrophobicContact CG2-CD2 3.95Å; T204-Y392 HydrophobicContact CG2-CE2 3.69Å; Y229-Y392 WeakPolarHBondContact CE2-O 3.49Å; Y392-M395 HydrophobicContact CD1-CE 4.29Å; Y392-M395 HydrophobicContact CD2-CE 4.09Å; Y392-M395 HydrophobicContact CG-CE 3.62Å; Y392-Q398 VanDerWaalsContact CE1-NE2 3.29Å
393	R	96.8	Very high	98.1	Very high	91 Å²	91	47.3 Å²	47.3	34%	0.343	22%	0.223	S	C	.	.	S	Bend	trans	-93.3	-27.8	178.1	-62.3	-68.1	161.4	-164.5	-5.6	113.1	Y229 R325	Y229-R393 WeakPolarHBondContact CD2-O 3.21Å; Y229-R393 PolarHBondContact N-O 3.24Å; R325-R393 VanDerWaalsContact CZ-NH1 3.31Å
394	S	98.6	Very high	98.2	Very high	30 Å²	30	48.5 Å²	48.5	21%	0.21	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-156.2	153.4	176.6	174.3	0	0	0	0	108.8	S227 N396 F429	S227-S394 CarbonylContact O-C 3.56Å; S227-S394 VanDerWaalsContact O-CA 3.26Å; S227-S394 WeakPolarHBondContact O-CA 3.29Å; S227-S394 PolarHBondContact O-OG 3.46Å; S394-N396 VanDerWaalsContact C-N 3.31Å; S394-N396 PolarHBondContact OG-N 3.1Å; S394-F429 WeakPolarHBondContact OG-CE2 3.21Å
395	M	98.8	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-88	7.2	175.8	-64.3	-66	96.5	0	0	113.9	G199 I200 P203 T204 S227 Y392 S397 Q398 Y399 F429	G199-M395 VanDerWaalsContact O-CG 3.29Å; G199-M395 WeakPolarHBondContact O-CG 3.28Å; I200-M395 HydrophobicContact CB-SD 4.49Å; I200-M395 HydrophobicContact CD1-CE 3.67Å; I200-M395 HydrophobicContact CD1-CG 3.91Å; I200-M395 HydrophobicContact CD1-SD 4.03Å; I200-M395 HydrophobicContact CG2-CE 4.12Å; I200-M395 HydrophobicContact CG2-SD 4.3Å; P203-M395 HydrophobicContact CB-CB 4.41Å; P203-M395 HydrophobicContact CB-CG 4.4Å; P203-M395 HydrophobicContact CB-SD 4.03Å; P203-M395 HydrophobicContact CG-CB 4.37Å; P203-M395 HydrophobicContact CG-CG 4.18Å; P203-M395 HydrophobicContact CG-SD 4.26Å; T204-M395 HydrophobicContact CG2-CE 4.38Å; T204-M395 HydrophobicContact CG2-SD 4.06Å; S227-M395 PolarHBondContact O-N 2.89Å; Y392-M395 HydrophobicContact CD1-CE 4.29Å; Y392-M395 HydrophobicContact CD2-CE 4.09Å; Y392-M395 HydrophobicContact CG-CE 3.62Å; M395-S397 VanDerWaalsContact C-N 3.29Å; M395-S397 PolarHBondContact O-N 3.39Å; M395-Q398 PolarHBondContact O-N 3.13Å; M395-Q398 PolarHBondContact O-OE1 3.46Å; M395-Q398 HydrophobicContact SD-CG 4.22Å; M395-Y399 HydrophobicContact CB-CD2 3.61Å; M395-Y399 HydrophobicContact CB-CE2 3.65Å; M395-Y399 HydrophobicContact CG-CE2 4.46Å; M395-Y399 WeakPolarHBondContact O-CD2 3.36Å; M395-Y399 PolarHBondContact O-N 2.87Å; M395-F429 HydrophobicContact CB-CZ 4.08Å
396	N	98.8	Very high	98	Very high	55 Å²	55	53.5 Å²	53.5	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-49	-49.1	-176.6	179.7	-82.5	0	0	0	112.1	S394 Q398 Y399 L400 F429	S394-N396 VanDerWaalsContact C-N 3.31Å; S394-N396 PolarHBondContact OG-N 3.1Å; N396-Q398 PolarHBondContact O-N 3.12Å; N396-Y399 PolarHBondContact O-N 3.19Å; N396-L400 WeakPolarHBondContact O-CB 3.03Å; N396-L400 VanDerWaalsContact O-CG 3.31Å; N396-L400 WeakPolarHBondContact O-CG 3.41Å; N396-L400 PolarHBondContact O-N 2.83Å; N396-L400 VanDerWaalsContact OD1-CD1 3.26Å; N396-L400 WeakPolarHBondContact OD1-CD1 3.48Å; N396-F429 HydrophobicContact CB-CE2 4.1Å
397	S	98.8	Very high	98.2	Very high	72 Å²	72	58.8 Å²	58.8	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-37.3	179.2	46.4	0	0	0	0	114	M395 K401	M395-S397 VanDerWaalsContact C-N 3.29Å; M395-S397 PolarHBondContact O-N 3.39Å; S397-K401 VanDerWaalsContact O-CB 3.31Å; S397-K401 WeakPolarHBondContact O-CB 3.45Å; S397-K401 PolarHBondContact O-N 3.48Å
398	Q	98.8	Very high	98.2	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-69.2	-48.7	-179	-71.2	70.3	10.4	0	0	109.7	P203 T204 V207 Y392 M395 N396 K401 L402	P203-Q398 HydrophobicContact CB-CB 3.71Å; P203-Q398 HydrophobicContact CB-CG 4.37Å; T204-Q398 HydrophobicContact CG2-CG 4.22Å; V207-Q398 HydrophobicContact CG2-CB 4.07Å; V207-Q398 HydrophobicContact CG2-CG 4.19Å; Y392-Q398 VanDerWaalsContact CE1-NE2 3.29Å; M395-Q398 PolarHBondContact O-N 3.13Å; M395-Q398 PolarHBondContact O-OE1 3.46Å; M395-Q398 HydrophobicContact SD-CG 4.22Å; N396-Q398 PolarHBondContact O-N 3.12Å; Q398-K401 PolarHBondContact O-N 3.13Å; Q398-L402 WeakPolarHBondContact O-CD1 3.03Å; Q398-L402 WeakPolarHBondContact O-CG 3.4Å; Q398-L402 PolarHBondContact O-N 2.77Å
399	Y	98.9	Very high	98.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-45.1	176.4	-80.4	-81	0	0	0	112	P203 L220 M395 N396 K401 L402 L403 I410 L412 F429 L433 I465	P203-Y399 HydrophobicContact CB-CD2 4.3Å; P203-Y399 HydrophobicContact CB-CE2 4.02Å; P203-Y399 HydrophobicContact CG-CD2 4.2Å; P203-Y399 HydrophobicContact CG-CE1 4.47Å; P203-Y399 HydrophobicContact CG-CE2 3.43Å; P203-Y399 VanDerWaalsContact CG-CE2 3.43Å; L220-Y399 HydrophobicContact CD1-CE1 3.8Å; M395-Y399 HydrophobicContact CB-CD2 3.61Å; M395-Y399 HydrophobicContact CB-CE2 3.65Å; M395-Y399 HydrophobicContact CG-CE2 4.46Å; M395-Y399 WeakPolarHBondContact O-CD2 3.36Å; M395-Y399 PolarHBondContact O-N 2.87Å; N396-Y399 PolarHBondContact O-N 3.19Å; Y399-K401 VanDerWaalsContact C-N 3.29Å; Y399-K401 PolarHBondContact O-N 2.93Å; Y399-L402 PolarHBondContact O-N 3.12Å; Y399-L403 VanDerWaalsContact O-CB 3.29Å; Y399-L403 WeakPolarHBondContact O-CB 3.21Å; Y399-L403 WeakPolarHBondContact O-CD1 3.5Å; Y399-L403 WeakPolarHBondContact O-CG 3.01Å; Y399-L403 PolarHBondContact O-N 2.85Å; Y399-I410 HydrophobicContact CD1-CD1 4.13Å; Y399-I410 HydrophobicContact CD1-CG2 3.84Å; Y399-I410 HydrophobicContact CE1-CG2 3.48Å; Y399-I410 VanDerWaalsContact CE1-CG2 3.48Å; Y399-L412 HydrophobicContact CE1-CD1 3.63Å; Y399-F429 AromaticContact CD2-CE1 3.5Å; Y399-F429 HydrophobicContact CD2-CE1 3.5Å; Y399-F429 AromaticContact CD2-CZ 3.47Å; Y399-F429 HydrophobicContact CD2-CZ 3.47Å; Y399-F429 VanDerWaalsContact CD2-CZ 3.47Å; Y399-F429 AromaticContact CE2-CE1 3.66Å; Y399-F429 HydrophobicContact CE2-CE1 3.66Å; Y399-F429 AromaticContact CE2-CZ 3.95Å; Y399-F429 HydrophobicContact CE2-CZ 3.95Å; Y399-F429 HydrophobicContact CG-CE1 4.09Å; Y399-F429 HydrophobicContact CG-CZ 4.2Å; Y399-L433 HydrophobicContact CG-CD1 4.46Å; Y399-I465 HydrophobicContact CD1-CD1 4.23Å
400	L	98.8	Very high	98.3	Very high	65 Å²	65	48 Å²	48	34%	0.34	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-38.4	175.7	-71.7	179.6	0	0	0	112.2	N396 S404 L433	N396-L400 WeakPolarHBondContact O-CB 3.03Å; N396-L400 VanDerWaalsContact O-CG 3.31Å; N396-L400 WeakPolarHBondContact O-CG 3.41Å; N396-L400 PolarHBondContact O-N 2.83Å; N396-L400 VanDerWaalsContact OD1-CD1 3.26Å; N396-L400 WeakPolarHBondContact OD1-CD1 3.48Å; L400-S404 WeakPolarHBondContact O-CB 3.34Å; L400-S404 PolarHBondContact O-N 3.48Å; L400-L433 HydrophobicContact CD2-CB 4.42Å; L400-L433 HydrophobicContact CD2-CD2 4.18Å; L400-L433 HydrophobicContact CG-CD2 4.12Å
401	K	98.8	Very high	98.3	Very high	93 Å²	93	45.9 Å²	45.9	40%	0.404	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-44.4	175.7	-169.1	174.8	-175.8	-175.2	0	111.7	V207 M210 S397 Q398 Y399 S404	V207-K401 HydrophobicContact CG1-CD 3.9Å; V207-K401 HydrophobicContact CG2-CD 4.27Å; M210-K401 HydrophobicContact SD-CD 4.45Å; M210-K401 HydrophobicContact SD-CG 4.13Å; S397-K401 VanDerWaalsContact O-CB 3.31Å; S397-K401 WeakPolarHBondContact O-CB 3.45Å; S397-K401 PolarHBondContact O-N 3.48Å; Q398-K401 PolarHBondContact O-N 3.13Å; Y399-K401 VanDerWaalsContact C-N 3.29Å; Y399-K401 PolarHBondContact O-N 2.93Å; K401-S404 PolarHBondContact O-N 2.64Å; K401-S404 PolarHBondContact O-OG 2.96Å
402	L	98.7	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-46.3	177	-69.1	160.7	0	0	0	111.3	A206 V207 M210 L220 Q398 Y399 S404 S405 Y408 I410	A206-L402 HydrophobicContact CB-CD1 3.82Å; A206-L402 HydrophobicContact CB-CD2 3.8Å; A206-L402 HydrophobicContact CB-CG 4.46Å; V207-L402 HydrophobicContact CG2-CD1 4.43Å; V207-L402 HydrophobicContact CG2-CG 4.2Å; M210-L402 HydrophobicContact CB-CD2 4.37Å; M210-L402 HydrophobicContact CG-CD2 4.44Å; M210-L402 HydrophobicContact SD-CD2 3.82Å; M210-L402 HydrophobicContact SD-CG 4.47Å; L220-L402 HydrophobicContact CD2-CD1 3.94Å; Q398-L402 WeakPolarHBondContact O-CD1 3.03Å; Q398-L402 WeakPolarHBondContact O-CG 3.4Å; Q398-L402 PolarHBondContact O-N 2.77Å; Y399-L402 PolarHBondContact O-N 3.12Å; L402-S404 VanDerWaalsContact C-N 3.3Å; L402-S404 PolarHBondContact O-N 3.14Å; L402-S405 PolarHBondContact O-N 2.82Å; L402-S405 PolarHBondContact O-OG 3.25Å; L402-Y408 HydrophobicContact CB-CD2 4.27Å; L402-Y408 HydrophobicContact CD2-CD2 3.98Å; L402-Y408 HydrophobicContact CD2-CE2 4.06Å; L402-I410 HydrophobicContact CB-CD1 4.06Å
403	L	98.6	Very high	98.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-32.4	178.2	-72.7	165.2	0	0	0	112.6	Y399 S405 Q406 I410 L433 Q435 H464 I465	Y399-L403 VanDerWaalsContact O-CB 3.29Å; Y399-L403 WeakPolarHBondContact O-CB 3.21Å; Y399-L403 WeakPolarHBondContact O-CD1 3.5Å; Y399-L403 WeakPolarHBondContact O-CG 3.01Å; Y399-L403 PolarHBondContact O-N 2.85Å; L403-S405 PolarHBondContact O-N 2.94Å; L403-Q406 PolarHBondContact O-N 3.23Å; L403-Q406 PolarHBondContact O-NE2 2.83Å; L403-I410 HydrophobicContact CD2-CD1 3.91Å; L403-I410 HydrophobicContact CG-CD1 3.95Å; L403-L433 HydrophobicContact CD1-CD1 4.12Å; L403-Q435 HydrophobicContact CD1-CG 3.83Å; L403-H464 HydrophobicContact CD2-CB 3.92Å; L403-I465 HydrophobicContact CD1-CD1 4.46Å; L403-I465 HydrophobicContact CD1-CG2 4.35Å; L403-I465 HydrophobicContact CD2-CB 4.04Å; L403-I465 HydrophobicContact CD2-CG2 4.1Å
404	S	98.1	Very high	98.4	Very high	93 Å²	93	35.2 Å²	35.2	65%	0.65	19%	0.189	S	C	*	.	H	α-helix	trans	-57.6	-25.7	178.5	75.7	0	0	0	0	113.6	L400 K401 L402	L400-S404 WeakPolarHBondContact O-CB 3.34Å; L400-S404 PolarHBondContact O-N 3.48Å; K401-S404 PolarHBondContact O-N 2.64Å; K401-S404 PolarHBondContact O-OG 2.96Å; L402-S404 VanDerWaalsContact C-N 3.3Å; L402-S404 PolarHBondContact O-N 3.14Å
405	S	96.3	Very high	98.5	Very high	32 Å²	32	33.8 Å²	33.8	22%	0.224	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-25.2	178.1	73.9	0	0	0	0	113.7	L402 L403 K407 Y408	L402-S405 PolarHBondContact O-N 2.82Å; L402-S405 PolarHBondContact O-OG 3.25Å; L403-S405 PolarHBondContact O-N 2.94Å; S405-K407 WeakPolarHBondContact O-CG 3.5Å; S405-K407 PolarHBondContact O-N 2.84Å; S405-K407 VanDerWaalsContact O-N 3.16Å; S405-K407 PolarHBondContact OG-N 3.06Å; S405-Y408 WeakPolarHBondContact OG-CD2 3.28Å; S405-Y408 WeakPolarHBondContact OG-CE2 3.34Å
406	Q	96.1	Very high	98.5	Very high	86 Å²	86	35.5 Å²	35.5	40%	0.402	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	29.1	-171.9	-56.4	-75.8	-73.7	0	0	113.1	L403 H464	L403-Q406 PolarHBondContact O-N 3.23Å; L403-Q406 PolarHBondContact O-NE2 2.83Å; Q406-H464 PolarHBondContact O-CD2 3.06Å; Q406-H464 PolarHBondContact O-NE2 3.28Å; Q406-H464 PolarHBondContact OE1-CE1 3.29Å; Q406-H464 PolarHBondContact OE1-ND1 3.15Å
407	K	97.9	Very high	98.5	Very high	147 Å²	147	33.3 Å²	33.3	64%	0.639	18%	0.177	S	C	*	.			trans	-102.3	-28.2	179.1	-66.1	179.4	-173.6	-179.9	0	113.2	S405	S405-K407 WeakPolarHBondContact O-CG 3.5Å; S405-K407 PolarHBondContact O-N 2.84Å; S405-K407 VanDerWaalsContact O-N 3.16Å; S405-K407 PolarHBondContact OG-N 3.06Å
408	Y	98.6	Very high	98.5	Very high	19 Å²	19	29.9 Å²	29.9	8%	0.075	15%	0.153	C	C	.	.			trans	-104.2	141.7	-166.4	-46.7	-53.5	0	0	0	110.9	M210 L217 Q218 L402 S405	M210-Y408 HydrophobicContact CB-CE2 3.97Å; M210-Y408 WeakPolarHBondContact CB-OH 3.35Å; M210-Y408 HydrophobicContact CE-CE2 4.23Å; L217-Y408 HydrophobicContact CB-CE1 4.14Å; L217-Y408 HydrophobicContact CD2-CD1 4.13Å; L217-Y408 HydrophobicContact CD2-CE1 3.93Å; L217-Y408 HydrophobicContact CG-CD1 3.97Å; L217-Y408 HydrophobicContact CG-CE1 3.98Å; L217-Y408 WeakPolarHBondContact O-CD1 3.22Å; L217-Y408 WeakPolarHBondContact O-CE1 3.25Å; Q218-Y408 WeakPolarHBondContact O-CA 3.31Å; L402-Y408 HydrophobicContact CB-CD2 4.27Å; L402-Y408 HydrophobicContact CD2-CD2 3.98Å; L402-Y408 HydrophobicContact CD2-CE2 4.06Å; S405-Y408 WeakPolarHBondContact OG-CD2 3.28Å; S405-Y408 WeakPolarHBondContact OG-CE2 3.34Å
409	Q	98.4	Very high	98.5	Very high	26 Å²	26	29.1 Å²	29.1	12%	0.121	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.5	169.5	-176.5	179.3	-14.2	0	0	109.7	Q218 G219 L220 F492 K495	Q218-Q409 PolarHBondContact O-N 2.92Å; G219-Q409 CarbonylContact C-O 3.46Å; G219-Q409 WeakPolarHBondContact CA-O 3.31Å; L220-Q409 PolarHBondContact N-O 3.15Å; Q409-F492 HydrophobicContact CB-CE2 4.36Å; Q409-F492 HydrophobicContact CG-CD2 4.07Å; Q409-F492 HydrophobicContact CG-CE2 3.9Å; Q409-F492 PolarHBondContact NE2-O 3.21Å; Q409-F492 PolarHBondContact OE1-O 2.97Å; Q409-K495 VanDerWaalsContact OE1-NZ 3.16Å
410	I	98.9	Very high	98.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.1	-175.5	-54.6	-174.6	0	0	0	109.4	L220 Y399 L402 L403 L412 H464 I465 A466	L220-I410 HydrophobicContact CD1-CG2 4.08Å; L220-I410 HydrophobicContact CD2-CD1 4.14Å; L220-I410 HydrophobicContact CD2-CG1 3.91Å; L220-I410 HydrophobicContact CG-CG1 4.11Å; L220-I410 HydrophobicContact CG-CG2 4.14Å; L220-I410 CarbonylContact O-C 3.48Å; L220-I410 WeakPolarHBondContact O-CA 3.46Å; Y399-I410 HydrophobicContact CD1-CD1 4.13Å; Y399-I410 HydrophobicContact CD1-CG2 3.84Å; Y399-I410 HydrophobicContact CE1-CG2 3.48Å; Y399-I410 VanDerWaalsContact CE1-CG2 3.48Å; L402-I410 HydrophobicContact CB-CD1 4.06Å; L403-I410 HydrophobicContact CD2-CD1 3.91Å; L403-I410 HydrophobicContact CG-CD1 3.95Å; I410-L412 HydrophobicContact CG2-CD1 4.02Å; I410-H464 WeakPolarHBondContact CB-O 3.5Å; I410-H464 PolarHBondContact N-O 2.92Å; I410-I465 HydrophobicContact CB-CB 4.09Å; I410-I465 HydrophobicContact CB-CD1 4.38Å; I410-I465 HydrophobicContact CB-CG1 4Å; I410-I465 HydrophobicContact CG2-CB 4.44Å; I410-I465 HydrophobicContact CG2-CD1 3.83Å; I410-I465 HydrophobicContact CG2-CG1 3.83Å; I410-I465 VanDerWaalsContact O-CA 3.32Å; I410-I465 WeakPolarHBondContact O-CA 3.26Å; I410-A466 PolarHBondContact O-N 3.23Å
411	L	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.4	174.3	175.5	63.8	0	0	0	109.6	L220 A221 V222 Y413 A466 L468 M488 F492 Y498	L220-L411 PolarHBondContact O-N 2.91Å; A221-L411 CarbonylContact C-O 3.48Å; A221-L411 WeakPolarHBondContact CA-O 3.25Å; A221-L411 HydrophobicContact CB-CB 4Å; A221-L411 HydrophobicContact CB-CD2 4.29Å; A221-L411 HydrophobicContact CB-CG 4.46Å; V222-L411 PolarHBondContact N-O 2.86Å; L411-Y413 HydrophobicContact CD2-CD1 3.97Å; L411-Y413 HydrophobicContact CG-CD1 4.08Å; L411-A466 HydrophobicContact CD1-CB 4.13Å; L411-L468 HydrophobicContact CD1-CB 3.95Å; L411-M488 HydrophobicContact CD2-CE 4.17Å; L411-M488 HydrophobicContact CD2-CG 3.9Å; L411-M488 HydrophobicContact CD2-SD 3.9Å; L411-F492 HydrophobicContact CB-CD2 3.82Å; L411-F492 HydrophobicContact CB-CE2 3.95Å; L411-F492 HydrophobicContact CD2-CB 4.19Å; L411-F492 HydrophobicContact CD2-CD2 4.18Å; L411-F492 HydrophobicContact CD2-CG 4.29Å; L411-Y498 HydrophobicContact CD1-CE1 4.33Å; L411-Y498 HydrophobicContact CD1-CE2 4.29Å; L411-Y498 HydrophobicContact CD2-CE1 4.05Å
412	L	98.9	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.4	158.9	-75.5	77	0	0	0	107.3	V222 S227 Y399 I410 D426 F429 V430 I465 A466 F467 L468	V222-L412 WeakPolarHBondContact O-CA 3.29Å; S227-L412 WeakPolarHBondContact OG-CD2 3.22Å; Y399-L412 HydrophobicContact CE1-CD1 3.63Å; I410-L412 HydrophobicContact CG2-CD1 4.02Å; L412-D426 HydrophobicContact CD2-CB 4.42Å; L412-F429 HydrophobicContact CD2-CD1 3.9Å; L412-F429 HydrophobicContact CD2-CE1 4.27Å; L412-V430 HydrophobicContact CB-CG2 4.16Å; L412-V430 HydrophobicContact CD1-CG2 4.05Å; L412-V430 HydrophobicContact CD2-CG2 3.82Å; L412-V430 HydrophobicContact CG-CG2 4.23Å; L412-I465 HydrophobicContact CD1-CD1 3.96Å; L412-I465 HydrophobicContact CD1-CG1 4.39Å; L412-A466 PolarHBondContact N-O 2.99Å; L412-F467 HydrophobicContact CB-CD2 4.42Å; L412-F467 CarbonylContact O-C 3.56Å; L412-F467 WeakPolarHBondContact O-CA 3.46Å; L412-L468 PolarHBondContact O-N 3.18Å
413	Y	98.9	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.1	179.7	69.3	-94.1	0	0	0	111	A221 V222 G223 N224 L411 L468 I470 V477 M488	A221-Y413 HydrophobicContact CB-CD1 4.48Å; A221-Y413 HydrophobicContact CB-CE1 4.18Å; V222-Y413 WeakPolarHBondContact O-CD1 3.37Å; V222-Y413 PolarHBondContact O-N 3.01Å; G223-Y413 CarbonylContact C-O 3.33Å; G223-Y413 VanDerWaalsContact CA-O 3.25Å; G223-Y413 WeakPolarHBondContact CA-O 3.41Å; N224-Y413 PolarHBondContact N-O 2.78Å; L411-Y413 HydrophobicContact CD2-CD1 3.97Å; L411-Y413 HydrophobicContact CG-CD1 4.08Å; Y413-L468 CarbonylContact C-O 2.98Å; Y413-L468 WeakPolarHBondContact CA-O 3.44Å; Y413-I470 HydrophobicContact CD2-CD1 3.71Å; Y413-I470 HydrophobicContact CG-CD1 4.19Å; Y413-V477 HydrophobicContact CD2-CB 4.37Å; Y413-V477 HydrophobicContact CD2-CG1 4.31Å; Y413-V477 HydrophobicContact CD2-CG2 4.21Å; Y413-V477 HydrophobicContact CE2-CB 4.04Å; Y413-V477 HydrophobicContact CE2-CG1 4.25Å; Y413-V477 HydrophobicContact CE2-CG2 4.21Å; Y413-M488 VanDerWaalsContact CB-SD 3.55Å; Y413-M488 HydrophobicContact CD1-CE 3.59Å; Y413-M488 HydrophobicContact CD1-SD 3.83Å; Y413-M488 HydrophobicContact CD2-CE 3.92Å; Y413-M488 HydrophobicContact CD2-SD 3.87Å; Y413-M488 HydrophobicContact CE1-CE 3.68Å; Y413-M488 HydrophobicContact CE2-CE 4.02Å; Y413-M488 HydrophobicContact CG-CE 3.71Å; Y413-M488 HydrophobicContact CG-SD 3.46Å
414	N	98.9	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130	-175.7	-67.2	73.6	0	0	0	111.2	N224 D416 C421 F423 D426 F467 L468 T469 I470	N224-N414 WeakPolarHBondContact CA-ND2 3.32Å; N224-N414 WeakPolarHBondContact OD1-CA 3.25Å; N414-D416 PolarHBondContact O-N 3.29Å; N414-C421 PolarHBondContact ND2-O 2.97Å; N414-F423 HydrophobicContact CB-CB 3.57Å; N414-D426 PolarHBondContact ND2-OD2 3.26Å; N414-D426 WeakPolarHBondContact OD1-CB 3.38Å; N414-D426 PolarHBondContact OD1-OD2 3.4Å; N414-F467 HydrophobicContact CB-CE2 4.49Å; N414-F467 WeakPolarHBondContact OD1-CE2 3.34Å; N414-L468 PolarHBondContact N-O 2.65Å; N414-T469 CarbonylContact O-C 3.58Å; N414-T469 VanDerWaalsContact O-CA 3.25Å; N414-T469 WeakPolarHBondContact O-CA 3.38Å; N414-I470 PolarHBondContact O-N 3.24Å
415	G	98.9	Very high	98.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	127.5	159.6	0	0	0	0	0	110.6	N224 V417 D418 A473 G474	N224-G415 PolarHBondContact ND2-N 3.35Å; N224-G415 PolarHBondContact ND2-O 3.43Å; N224-G415 PolarHBondContact OD1-N 2.97Å; G415-V417 VanDerWaalsContact C-N 3.26Å; G415-V417 PolarHBondContact O-N 3.29Å; G415-D418 PolarHBondContact O-N 3.43Å; G415-A473 CarbonylContact C-O 3.49Å; G415-A473 WeakPolarHBondContact CA-O 3.01Å; G415-G474 WeakPolarHBondContact CA-O 3.33Å
416	D	98.8	Very high	98.6	Very high	35 Å²	35	20.4 Å²	20.4	19%	0.187	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.6	-170.6	68.7	0.2	0	0	0	115	F239 N414 F423 I470 K471 G472 A473	F239-D416 WeakPolarHBondContact CE2-O 3.19Å; N414-D416 PolarHBondContact O-N 3.29Å; D416-F423 HydrophobicContact CB-CB 4.49Å; D416-F423 HydrophobicContact CB-CD1 3.79Å; D416-F423 HydrophobicContact CB-CE1 4.25Å; D416-F423 HydrophobicContact CB-CG 4.14Å; D416-I470 PolarHBondContact N-O 2.9Å; D416-K471 WeakPolarHBondContact OD1-CA 3.32Å; D416-K471 WeakPolarHBondContact OD2-CA 3.01Å; D416-G472 PolarHBondContact OD1-N 2.96Å; D416-A473 PolarHBondContact N-O 2.98Å; D416-A473 VanDerWaalsContact N-O 3.11Å
417	V	98.8	Very high	98.7	Very high	9 Å²	9	17.5 Å²	17.5	6%	0.055	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	7.3	175.4	-47.5	0	0	0	0	113.5	N294 L295 Y296 G415 A473	N294-V417 HydrophobicContact CB-CG2 4.5Å; N294-V417 WeakPolarHBondContact OD1-CG2 3.36Å; L295-V417 PolarHBondContact N-O 3.02Å; Y296-V417 HydrophobicContact CD2-CB 3.71Å; Y296-V417 HydrophobicContact CD2-CG1 3.56Å; Y296-V417 HydrophobicContact CD2-CG2 4.19Å; Y296-V417 HydrophobicContact CE2-CB 3.82Å; Y296-V417 HydrophobicContact CE2-CG1 3.41Å; Y296-V417 VanDerWaalsContact CE2-CG1 3.41Å; G415-V417 VanDerWaalsContact C-N 3.26Å; G415-V417 PolarHBondContact O-N 3.29Å; V417-A473 VanDerWaalsContact CG2-C 3.49Å; V417-A473 WeakPolarHBondContact CG2-O 3.41Å; V417-A473 PolarHBondContact N-O 2.96Å
418	D	98.8	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.			trans	-76.2	137.8	171.3	178.8	29.8	0	0	0	111.7	N224 G415 A420 C421 N422 H475	N224-D418 WeakPolarHBondContact ND2-CB 3.29Å; N224-D418 PolarHBondContact ND2-OD2 3.24Å; G415-D418 PolarHBondContact O-N 3.43Å; D418-A420 WeakPolarHBondContact OD1-CB 3.49Å; D418-A420 PolarHBondContact OD1-N 3.41Å; D418-C421 VanDerWaalsContact OD2-CA 3.31Å; D418-C421 WeakPolarHBondContact OD2-CA 3.18Å; D418-C421 PolarHBondContact OD2-N 2.87Å; D418-C421 VanDerWaalsContact OD2-O 3.11Å; D418-N422 VanDerWaalsContact O-CA 3.26Å; D418-N422 WeakPolarHBondContact O-CA 3.21Å; D418-N422 WeakPolarHBondContact O-CB 3.44Å; D418-H475 HydrophobicContact CB-CB 4.44Å; D418-H475 VanDerWaalsContact CG-ND1 3.26Å; D418-H475 IonicContact OD1-CG 3.56Å; D418-H475 IonicContact OD1-ND1 2.72Å; D418-H475 PolarHBondContact OD1-ND1 3.43Å; D418-H475 IonicContact OD2-CE1 3.98Å; D418-H475 IonicContact OD2-CG 2.92Å; D418-H475 IonicContact OD2-ND1 2.66Å; D418-H475 PolarHBondContact OD2-ND1 3.4Å
419	M	98.8	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-107.4	-18.4	174	-60.4	-169.6	-67.4	0	0	112.7	L236 F239 L245 V285 L290 I292 L295	L236-M419 HydrophobicContact CD1-CB 3.9Å; L236-M419 WeakPolarHBondContact CD1-O 3.49Å; F239-M419 HydrophobicContact CD1-CG 3.89Å; F239-M419 HydrophobicContact CD1-SD 4.32Å; F239-M419 HydrophobicContact CE1-CG 3.5Å; F239-M419 HydrophobicContact CE1-SD 4.07Å; F239-M419 HydrophobicContact CZ-CG 4.27Å; L245-M419 HydrophobicContact CD1-CE 4.39Å; L245-M419 HydrophobicContact CD1-SD 3.47Å; L245-M419 WeakPolarHBondContact CD1-SD 3.24Å; V285-M419 HydrophobicContact CG1-CB 4.27Å; V285-M419 HydrophobicContact CG1-CE 4.32Å; V285-M419 HydrophobicContact CG1-SD 4.34Å; L290-M419 HydrophobicContact CB-CE 4.29Å; I292-M419 HydrophobicContact CG1-CB 3.77Å; I292-M419 WeakPolarHBondContact O-CA 3.27Å; I292-M419 VanDerWaalsContact O-CB 3.3Å; I292-M419 WeakPolarHBondContact O-CB 3.33Å; I292-M419 PolarHBondContact O-N 2.97Å; L295-M419 HydrophobicContact CB-CE 4.3Å; L295-M419 HydrophobicContact CB-CG 4.43Å; L295-M419 HydrophobicContact CB-SD 4.27Å; L295-M419 HydrophobicContact CD1-CE 3.85Å; L295-M419 HydrophobicContact CD1-SD 3.94Å; L295-M419 HydrophobicContact CG-SD 4.45Å
420	A	98.2	Very high	98.8	Very high	9 Å²	9	12.8 Å²	12.8	7%	0.074	6%	0.061	C	C	.	.	S	Bend	trans	-71.8	-46.7	179.7	0	0	0	0	0	111.3	N232 I292 Y293 I322 D418	N232-A420 PolarHBondContact ND2-O 2.75Å; N232-A420 VanDerWaalsContact ND2-O 3.13Å; N232-A420 PolarHBondContact OD1-O 3.2Å; I292-A420 HydrophobicContact CG1-CB 4.3Å; I292-A420 PolarHBondContact O-N 3.2Å; Y293-A420 HydrophobicContact CD1-CB 3.62Å; Y293-A420 HydrophobicContact CE1-CB 3.56Å; I322-A420 HydrophobicContact CD1-CB 4.46Å; D418-A420 WeakPolarHBondContact OD1-CB 3.49Å; D418-A420 PolarHBondContact OD1-N 3.41Å
421	C	98.6	Very high	98.8	Very high	8 Å²	8	15.2 Å²	15.2	5%	0.054	7%	0.074	C	C	.	.	S	Bend	trans	-132.1	63.6	175.2	-68.2	0	0	0	0	109.6	N224 N232 N414 D418	N224-C421 HydrophobicContact CB-CB 4.2Å; N224-C421 PolarHBondContact ND2-O 2.89Å; N224-C421 WeakPolarHBondContact O-CB 3.42Å; N224-C421 PolarHBondContact O-SG 3.35Å; N232-C421 WeakPolarHBondContact ND2-CA 3.31Å; N414-C421 PolarHBondContact ND2-O 2.97Å; D418-C421 VanDerWaalsContact OD2-CA 3.31Å; D418-C421 WeakPolarHBondContact OD2-CA 3.18Å; D418-C421 PolarHBondContact OD2-N 2.87Å; D418-C421 VanDerWaalsContact OD2-O 3.11Å
422	N	98.9	Very high	98.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.			trans	-56.9	145.6	-173.3	79.4	85	0	0	0	112.7	S235 L236 F239 D418 M424 G425	S235-N422 WeakPolarHBondContact CB-OD1 3.42Å; S235-N422 PolarHBondContact OG-ND2 3.37Å; S235-N422 PolarHBondContact OG-OD1 3.21Å; L236-N422 PolarHBondContact N-ND2 2.91Å; F239-N422 HydrophobicContact CD2-CB 3.9Å; F239-N422 HydrophobicContact CE2-CB 4.31Å; F239-N422 HydrophobicContact CG-CB 4.39Å; D418-N422 VanDerWaalsContact O-CA 3.26Å; D418-N422 WeakPolarHBondContact O-CA 3.21Å; D418-N422 WeakPolarHBondContact O-CB 3.44Å; N422-M424 PolarHBondContact O-N 3.01Å; N422-M424 VanDerWaalsContact O-N 3.12Å; N422-M424 WeakPolarHBondContact OD1-CB 3.48Å; N422-M424 PolarHBondContact OD1-N 2.99Å; N422-M424 VanDerWaalsContact OD1-N 3.13Å; N422-G425 PolarHBondContact O-N 2.97Å; N422-G425 PolarHBondContact OD1-N 3.25Å
423	F	98.9	Very high	98.8	Very high	34 Å²	34	18.1 Å²	18.1	15%	0.149	9%	0.094	C	C	.	.	H	α-helix	trans	-57.5	-30.9	-174.1	81.1	-85.5	0	0	0	114.2	F239 N414 D416 D426 E427 F467 T469	F239-F423 HydrophobicContact CD2-CE1 4.3Å; F239-F423 HydrophobicContact CE2-CD1 4.24Å; F239-F423 HydrophobicContact CE2-CE1 4.09Å; N414-F423 HydrophobicContact CB-CB 3.57Å; D416-F423 HydrophobicContact CB-CB 4.49Å; D416-F423 HydrophobicContact CB-CD1 3.79Å; D416-F423 HydrophobicContact CB-CE1 4.25Å; D416-F423 HydrophobicContact CB-CG 4.14Å; F423-D426 PolarHBondContact O-N 2.66Å; F423-E427 WeakPolarHBondContact O-CB 3.21Å; F423-E427 PolarHBondContact O-N 3.26Å; F423-F467 HydrophobicContact CB-CZ 4.19Å; F423-F467 HydrophobicContact CD2-CZ 4.33Å; F423-F467 VanDerWaalsContact O-CZ 3.25Å; F423-F467 WeakPolarHBondContact O-CZ 3.17Å; F423-T469 HydrophobicContact CB-CG2 4.13Å; F423-T469 HydrophobicContact CD2-CG2 3.72Å; F423-T469 HydrophobicContact CG-CG2 4.14Å
424	M	98.9	Very high	98.7	Very high	45 Å²	45	25.1 Å²	25.1	22%	0.222	13%	0.132	C	C	.	.	H	α-helix	trans	-70.2	-37.4	-176	-174.7	-175.7	-58.1	0	0	111.2	N422 E427 W428	N422-M424 PolarHBondContact O-N 3.01Å; N422-M424 VanDerWaalsContact O-N 3.12Å; N422-M424 WeakPolarHBondContact OD1-CB 3.48Å; N422-M424 PolarHBondContact OD1-N 2.99Å; N422-M424 VanDerWaalsContact OD1-N 3.13Å; M424-E427 PolarHBondContact O-N 2.79Å; M424-W428 HydrophobicContact CG-CD2 4.17Å; M424-W428 HydrophobicContact CG-CH2 4.47Å; M424-W428 HydrophobicContact CG-CZ2 3.7Å; M424-W428 WeakPolarHBondContact O-CB 3.5Å; M424-W428 PolarHBondContact O-N 3.44Å; M424-W428 HydrophobicContact SD-CH2 4.03Å; M424-W428 HydrophobicContact SD-CZ2 3.39Å; M424-W428 WeakPolarHBondContact SD-CZ2 3.34Å
425	G	98.8	Very high	98.5	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-41.7	175.9	0	0	0	0	0	112.9	S235 N422 F429	S235-G425 WeakPolarHBondContact OG-CA 3.3Å; S235-G425 PolarHBondContact OG-N 3.36Å; N422-G425 PolarHBondContact O-N 2.97Å; N422-G425 PolarHBondContact OD1-N 3.25Å; G425-F429 WeakPolarHBondContact O-CB 3.35Å; G425-F429 PolarHBondContact O-N 3.34Å
426	D	98.9	Very high	98.2	Very high	5 Å²	5	35 Å²	35	3%	0.027	18%	0.175	C	C	.	.	H	α-helix	trans	-76.6	-33.1	175.8	-80.6	-42.9	0	0	0	112.9	G225 S227 L412 N414 F423 F429 V430 F467	G225-D426 PolarHBondContact N-OD2 3Å; S227-D426 WeakPolarHBondContact CB-OD1 3.18Å; S227-D426 PolarHBondContact OG-OD1 2.93Å; L412-D426 HydrophobicContact CD2-CB 4.42Å; N414-D426 PolarHBondContact ND2-OD2 3.26Å; N414-D426 WeakPolarHBondContact OD1-CB 3.38Å; N414-D426 PolarHBondContact OD1-OD2 3.4Å; F423-D426 PolarHBondContact O-N 2.66Å; D426-F429 WeakPolarHBondContact O-CB 3.31Å; D426-F429 PolarHBondContact O-N 3.12Å; D426-V430 WeakPolarHBondContact O-CG2 3.26Å; D426-V430 PolarHBondContact O-N 2.72Å; D426-F467 HydrophobicContact CB-CD2 4.48Å; D426-F467 HydrophobicContact CB-CE2 3.99Å
427	E	98.9	Very high	97.9	Very high	24 Å²	24	37.8 Å²	37.8	11%	0.112	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-47.6	172.1	-168.8	160	-174	0	0	110.4	F423 M424 F429 V430 D431 R441 F467	F423-E427 WeakPolarHBondContact O-CB 3.21Å; F423-E427 PolarHBondContact O-N 3.26Å; M424-E427 PolarHBondContact O-N 2.79Å; E427-F429 VanDerWaalsContact C-N 3.26Å; E427-F429 PolarHBondContact O-N 3.04Å; E427-V430 PolarHBondContact O-N 3.34Å; E427-D431 WeakPolarHBondContact O-CB 3.26Å; E427-D431 VanDerWaalsContact O-CG 3.29Å; E427-D431 PolarHBondContact O-N 3.44Å; E427-R441 IonicContact OE1-CZ 3.18Å; E427-R441 IonicContact OE1-NE 2.72Å; E427-R441 PolarHBondContact OE1-NE 3.12Å; E427-R441 IonicContact OE1-NH2 3.41Å; E427-R441 PolarHBondContact OE1-NH2 2.94Å; E427-R441 IonicContact OE2-CZ 3.92Å; E427-R441 IonicContact OE2-NE 3.37Å; E427-R441 IonicContact OE2-NH2 2.81Å; E427-R441 PolarHBondContact OE2-NH2 3.32Å; E427-F467 HydrophobicContact CB-CD1 3.89Å; E427-F467 HydrophobicContact CB-CD2 4.37Å; E427-F467 HydrophobicContact CB-CE1 3.46Å; E427-F467 VanDerWaalsContact CB-CE1 3.46Å; E427-F467 HydrophobicContact CB-CE2 3.98Å; E427-F467 HydrophobicContact CB-CG 4.32Å; E427-F467 HydrophobicContact CB-CZ 3.51Å; E427-F467 VanDerWaalsContact CD-CE1 3.46Å; E427-F467 HydrophobicContact CG-CD1 3.64Å; E427-F467 HydrophobicContact CG-CE1 3.54Å; E427-F467 HydrophobicContact CG-CG 4.33Å; E427-F467 HydrophobicContact CG-CZ 4.15Å; E427-F467 WeakPolarHBondContact OE2-CE1 3.23Å
428	W	98.8	Very high	97.4	Very high	93 Å²	93	43 Å²	43	35%	0.352	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-38.2	174.1	-66.7	-5.6	0	0	0	111.7	Q231 N234 Y238 M424 D431 S432	Q231-W428 PolarHBondContact OE1-O 2.99Å; N234-W428 HydrophobicContact CB-CZ3 4.2Å; Y238-W428 AromaticContact CD2-CH2 3.85Å; Y238-W428 HydrophobicContact CD2-CH2 3.85Å; Y238-W428 HydrophobicContact CE2-CH2 4.13Å; M424-W428 HydrophobicContact CG-CD2 4.17Å; M424-W428 HydrophobicContact CG-CH2 4.47Å; M424-W428 HydrophobicContact CG-CZ2 3.7Å; M424-W428 WeakPolarHBondContact O-CB 3.5Å; M424-W428 PolarHBondContact O-N 3.44Å; M424-W428 HydrophobicContact SD-CH2 4.03Å; M424-W428 HydrophobicContact SD-CZ2 3.39Å; M424-W428 WeakPolarHBondContact SD-CZ2 3.34Å; W428-D431 PolarHBondContact O-N 2.86Å; W428-S432 WeakPolarHBondContact O-CB 3.24Å; W428-S432 PolarHBondContact O-N 3.42Å
429	F	98.9	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-50.4	179.9	172.7	-98.6	0	0	0	111.1	S227 Q231 S394 M395 N396 Y399 L412 G425 D426 E427 D431 S432 L433	S227-F429 VanDerWaalsContact CB-CD1 3.45Å; Q231-F429 VanDerWaalsContact OE1-CA 3.25Å; S394-F429 WeakPolarHBondContact OG-CE2 3.21Å; M395-F429 HydrophobicContact CB-CZ 4.08Å; N396-F429 HydrophobicContact CB-CE2 4.1Å; Y399-F429 AromaticContact CD2-CE1 3.5Å; Y399-F429 HydrophobicContact CD2-CE1 3.5Å; Y399-F429 AromaticContact CD2-CZ 3.47Å; Y399-F429 HydrophobicContact CD2-CZ 3.47Å; Y399-F429 VanDerWaalsContact CD2-CZ 3.47Å; Y399-F429 AromaticContact CE2-CE1 3.66Å; Y399-F429 HydrophobicContact CE2-CE1 3.66Å; Y399-F429 AromaticContact CE2-CZ 3.95Å; Y399-F429 HydrophobicContact CE2-CZ 3.95Å; Y399-F429 HydrophobicContact CG-CE1 4.09Å; Y399-F429 HydrophobicContact CG-CZ 4.2Å; L412-F429 HydrophobicContact CD2-CD1 3.9Å; L412-F429 HydrophobicContact CD2-CE1 4.27Å; G425-F429 WeakPolarHBondContact O-CB 3.35Å; G425-F429 PolarHBondContact O-N 3.34Å; D426-F429 WeakPolarHBondContact O-CB 3.31Å; D426-F429 PolarHBondContact O-N 3.12Å; E427-F429 VanDerWaalsContact C-N 3.26Å; E427-F429 PolarHBondContact O-N 3.04Å; F429-D431 VanDerWaalsContact C-N 3.32Å; F429-D431 PolarHBondContact O-N 3.44Å; F429-S432 WeakPolarHBondContact O-CB 3.39Å; F429-S432 PolarHBondContact O-N 2.81Å; F429-S432 VanDerWaalsContact O-N 3.13Å; F429-S432 PolarHBondContact O-OG 3.09Å; F429-L433 HydrophobicContact CE1-CD1 4.17Å; F429-L433 HydrophobicContact CE1-CD2 4.5Å; F429-L433 HydrophobicContact CZ-CD2 4.12Å; F429-L433 PolarHBondContact O-N 2.04Å
430	V	98.8	Very high	96.9	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-42.5	178.9	175.7	0	0	0	0	110.5	L412 D426 E427 S432 L433 F462 I465 F467	L412-V430 HydrophobicContact CB-CG2 4.16Å; L412-V430 HydrophobicContact CD1-CG2 4.05Å; L412-V430 HydrophobicContact CD2-CG2 3.82Å; L412-V430 HydrophobicContact CG-CG2 4.23Å; D426-V430 WeakPolarHBondContact O-CG2 3.26Å; D426-V430 PolarHBondContact O-N 2.72Å; E427-V430 PolarHBondContact O-N 3.34Å; V430-S432 VanDerWaalsContact C-N 3.29Å; V430-S432 PolarHBondContact O-N 2.76Å; V430-L433 VanDerWaalsContact O-CB 3.32Å; V430-L433 WeakPolarHBondContact O-CB 3.27Å; V430-L433 PolarHBondContact O-N 2.97Å; V430-L433 VanDerWaalsContact O-N 3.14Å; V430-F462 HydrophobicContact CG1-CD2 4.03Å; V430-F462 HydrophobicContact CG1-CE2 3.9Å; V430-I465 HydrophobicContact CG1-CD1 4.12Å; V430-I465 HydrophobicContact CG1-CG1 4.19Å; V430-I465 HydrophobicContact CG2-CD1 4.26Å; V430-F467 HydrophobicContact CB-CB 4.16Å; V430-F467 HydrophobicContact CG1-CB 4.12Å; V430-F467 HydrophobicContact CG2-CB 4.12Å; V430-F467 HydrophobicContact CG2-CD2 4.4Å
431	D	98.5	Very high	96.8	Very high	53 Å²	53	56.8 Å²	56.8	28%	0.283	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-39	175.5	-76.3	-5.1	0	0	0	112.2	E427 W428 F429 L433 N434 K460 F462	E427-D431 WeakPolarHBondContact O-CB 3.26Å; E427-D431 VanDerWaalsContact O-CG 3.29Å; E427-D431 PolarHBondContact O-N 3.44Å; W428-D431 PolarHBondContact O-N 2.86Å; F429-D431 VanDerWaalsContact C-N 3.32Å; F429-D431 PolarHBondContact O-N 3.44Å; D431-L433 PolarHBondContact O-N 3.27Å; D431-N434 PolarHBondContact O-N 2.86Å; D431-K460 WeakPolarHBondContact OD1-CD 3.34Å; D431-K460 VanDerWaalsContact OD1-CE 3.3Å; D431-K460 WeakPolarHBondContact OD1-CE 3.49Å; D431-K460 IonicContact OD1-NZ 3.28Å; D431-K460 PolarHBondContact OD1-NZ 3.38Å; D431-K460 IonicContact OD2-NZ 2.76Å; D431-K460 PolarHBondContact OD2-NZ 2.03Å; D431-F462 WeakPolarHBondContact OD1-CZ 3.47Å
432	S	98.5	Very high	96.8	Very high	55 Å²	55	60 Å²	60	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-16.6	179.2	80	0	0	0	0	113.8	Q231 W428 F429 V430 N434	Q231-S432 PolarHBondContact NE2-OG 3.39Å; W428-S432 WeakPolarHBondContact O-CB 3.24Å; W428-S432 PolarHBondContact O-N 3.42Å; F429-S432 WeakPolarHBondContact O-CB 3.39Å; F429-S432 PolarHBondContact O-N 2.81Å; F429-S432 VanDerWaalsContact O-N 3.13Å; F429-S432 PolarHBondContact O-OG 3.09Å; V430-S432 VanDerWaalsContact C-N 3.29Å; V430-S432 PolarHBondContact O-N 2.76Å; S432-N434 PolarHBondContact O-N 2.87Å
433	L	98.4	Very high	96.8	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.031	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.5	172	-59.1	171.8	0	0	0	112.1	Y399 L400 L403 F429 V430 D431 Q435 I465	Y399-L433 HydrophobicContact CG-CD1 4.46Å; L400-L433 HydrophobicContact CD2-CB 4.42Å; L400-L433 HydrophobicContact CD2-CD2 4.18Å; L400-L433 HydrophobicContact CG-CD2 4.12Å; L403-L433 HydrophobicContact CD1-CD1 4.12Å; F429-L433 HydrophobicContact CE1-CD1 4.17Å; F429-L433 HydrophobicContact CE1-CD2 4.5Å; F429-L433 HydrophobicContact CZ-CD2 4.12Å; F429-L433 PolarHBondContact O-N 2.04Å; V430-L433 VanDerWaalsContact O-CB 3.32Å; V430-L433 WeakPolarHBondContact O-CB 3.27Å; V430-L433 PolarHBondContact O-N 2.97Å; V430-L433 VanDerWaalsContact O-N 3.14Å; D431-L433 PolarHBondContact O-N 3.27Å; L433-Q435 HydrophobicContact CB-CG 4.1Å; L433-Q435 PolarHBondContact O-N 3.34Å; L433-Q435 PolarHBondContact O-NE2 3.01Å; L433-I465 HydrophobicContact CD1-CD1 3.6Å
434	N	96.9	Very high	96.8	Very high	147 Å²	147	61.1 Å²	61.1	79%	0.786	30%	0.295	S	S	*	.			trans	50.6	42.3	173.7	-165.5	42.7	0	0	0	113.3	D431 S432	D431-N434 PolarHBondContact O-N 2.86Å; S432-N434 PolarHBondContact O-N 2.87Å
435	Q	96.4	Very high	96.8	Very high	44 Å²	44	61.9 Å²	61.9	21%	0.206	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-77.5	163.7	176.2	-60.8	-55.6	-67.8	0	0	110.9	L403 L433 M437 F462 I465	L403-Q435 HydrophobicContact CD1-CG 3.83Å; L433-Q435 HydrophobicContact CB-CG 4.1Å; L433-Q435 PolarHBondContact O-N 3.34Å; L433-Q435 PolarHBondContact O-NE2 3.01Å; Q435-M437 PolarHBondContact O-N 3.39Å; Q435-F462 HydrophobicContact CB-CB 3.91Å; Q435-F462 HydrophobicContact CB-CD1 4.21Å; Q435-F462 HydrophobicContact CB-CG 4.31Å; Q435-F462 VanDerWaalsContact O-CD1 3.27Å; Q435-F462 WeakPolarHBondContact O-CD1 3.35Å; Q435-I465 HydrophobicContact CB-CG2 4.43Å; Q435-I465 HydrophobicContact CG-CG2 4.15Å
436	K	92.4	Very high	96.8	Very high	163 Å²	163	61.8 Å²	61.8	71%	0.709	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-67.2	118.7	176	-176.2	-175.6	176.5	-170.4	0	109.7	E438 F462 S463	K436-E438 PolarHBondContact O-N 3.22Å; K436-F462 CarbonylContact O-C 3.53Å; K436-F462 VanDerWaalsContact O-CA 3.3Å; K436-F462 WeakPolarHBondContact O-CA 3.26Å; K436-F462 WeakPolarHBondContact O-CB 3.47Å; K436-S463 PolarHBondContact O-N 3.25Å
437	M	92.8	Very high	96.8	Very high	94 Å²	94	67.8 Å²	67.8	46%	0.463	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.4	175.3	-170.4	178.5	-62.1	0	0	109.9	Q435 F462	Q435-M437 PolarHBondContact O-N 3.39Å; M437-F462 HydrophobicContact CB-CD1 3.96Å; M437-F462 HydrophobicContact CB-CE1 4.06Å; M437-F462 HydrophobicContact CE-CE1 4.07Å; M437-F462 HydrophobicContact CE-CZ 4.32Å; M437-F462 HydrophobicContact CG-CD1 4.46Å; M437-F462 HydrophobicContact CG-CE1 4.42Å
438	E	87.8	Confident	96.7	Very high	117 Å²	117	70.5 Å²	70.5	55%	0.547	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-37.4	175.6	-71.7	-174.1	174.1	0	0	110.8	K436 E461 S463	K436-E438 PolarHBondContact O-N 3.22Å; E438-E461 PolarHBondContact N-O 3.45Å; E438-S463 VanDerWaalsContact CD-CA 3.46Å; E438-S463 WeakPolarHBondContact OE1-CA 3.43Å; E438-S463 WeakPolarHBondContact OE1-CB 3.39Å; E438-S463 PolarHBondContact OE1-OG 2.9Å
439	V	90.2	Very high	96.5	Very high	46 Å²	46	68.3 Å²	68.3	28%	0.279	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.6	-178.5	-169.5	0	0	0	0	110.1	R442 E461	V439-R442 HydrophobicContact CG1-CG 4.39Å; V439-E461 HydrophobicContact CB-CB 3.85Å; V439-E461 HydrophobicContact CB-CG 4.2Å; V439-E461 HydrophobicContact CG2-CB 3.97Å; V439-E461 HydrophobicContact CG2-CG 4.39Å; V439-E461 WeakPolarHBondContact CG2-OE2 3.4Å; V439-E461 PolarHBondContact N-O 2.97Å; V439-E461 PolarHBondContact O-N 3.1Å
440	Q	95.6	Very high	96.4	Very high	161 Å²	161	76.7 Å²	76.7	75%	0.752	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	147.2	172	-170.3	176.8	25.8	0	0	110	R442	Q440-R442 PolarHBondContact O-N 2.96Å; Q440-R442 VanDerWaalsContact O-N 3.17Å
441	R	98.1	Very high	96.3	Very high	92 Å²	92	80.9 Å²	80.9	35%	0.347	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	123.3	179.2	-163.6	179.8	-161.1	-90.3	6.3	111.1	E427 F458 V459 K460	E427-R441 IonicContact OE1-CZ 3.18Å; E427-R441 IonicContact OE1-NE 2.72Å; E427-R441 PolarHBondContact OE1-NE 3.12Å; E427-R441 IonicContact OE1-NH2 3.41Å; E427-R441 PolarHBondContact OE1-NH2 2.94Å; E427-R441 IonicContact OE2-CZ 3.92Å; E427-R441 IonicContact OE2-NE 3.37Å; E427-R441 IonicContact OE2-NH2 2.81Å; E427-R441 PolarHBondContact OE2-NH2 3.32Å; R441-F458 HydrophobicContact CG-CB 4.47Å; R441-F458 VanDerWaalsContact NH1-CB 3.27Å; R441-V459 CarbonylContact C-O 3.59Å; R441-V459 VanDerWaalsContact CA-O 3.26Å; R441-V459 WeakPolarHBondContact CA-O 3.21Å; R441-K460 HydrophobicContact CB-CB 4.49Å; R441-K460 HydrophobicContact CG-CB 4.4Å
442	R	98.3	Very high	96.3	Very high	76 Å²	76	79.7 Å²	79.7	29%	0.287	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.2	-176.6	63.7	178.2	178.4	89	3	111	V439 Q440 F458 V459 E461 Y498	V439-R442 HydrophobicContact CG1-CG 4.39Å; Q440-R442 PolarHBondContact O-N 2.96Å; Q440-R442 VanDerWaalsContact O-N 3.17Å; R442-F458 CarbonylContact O-C 3.47Å; R442-F458 WeakPolarHBondContact O-CA 3.3Å; R442-V459 HydrophobicContact CG-CG1 3.67Å; R442-V459 PolarHBondContact N-O 3.34Å; R442-V459 PolarHBondContact O-N 2.87Å; R442-E461 IonicContact CZ-OE2 3.12Å; R442-E461 IonicContact NE-OE2 3.71Å; R442-E461 IonicContact NH2-OE2 3.5Å; R442-E461 PolarHBondContact NH2-OE2 2.89Å; R442-Y498 VanDerWaalsContact CZ-O 3.29Å; R442-Y498 PolarHBondContact NH1-O 2.72Å; R442-Y498 PolarHBondContact NH2-O 3.05Å
443	P	98.6	Very high	96.2	Very high	56 Å²	56	83 Å²	83	36%	0.364	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	151.3	169.3	29.6	-34.3	0	0	0	110.8	I455 G457 F458	P443-I455 HydrophobicContact CB-CD1 4.11Å; P443-I455 HydrophobicContact CB-CG1 4.08Å; P443-I455 HydrophobicContact CB-CG2 3.89Å; P443-G457 VanDerWaalsContact CA-O 3.26Å; P443-G457 WeakPolarHBondContact CA-O 3.07Å; P443-F458 HydrophobicContact CB-CD1 4.41Å; P443-F458 HydrophobicContact CB-CE1 4.31Å
444	W	98.8	Very high	96.3	Very high	1 Å²	1	87.5 Å²	87.5	0%	0.004	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.5	168.3	71.3	-81.7	0	0	0	110.2	V446 A456 G457 V459 L468 T469 I470 A484 M488 Y498	W444-V446 HydrophobicContact CE3-CG2 4.04Å; W444-V446 HydrophobicContact CH2-CG2 3.97Å; W444-V446 HydrophobicContact CZ3-CG2 3.4Å; W444-V446 VanDerWaalsContact CZ3-CG2 3.4Å; W444-A456 HydrophobicContact CD2-CB 3.84Å; W444-A456 HydrophobicContact CE3-CB 3.86Å; W444-A456 HydrophobicContact CH2-CB 3.5Å; W444-A456 HydrophobicContact CZ2-CB 3.41Å; W444-A456 VanDerWaalsContact CZ2-CB 3.41Å; W444-A456 HydrophobicContact CZ3-CB 3.73Å; W444-A456 PolarHBondContact O-N 3.25Å; W444-G457 VanDerWaalsContact CD1-O 3.27Å; W444-G457 PolarHBondContact N-O 3.49Å; W444-G457 VanDerWaalsContact NE1-CA 3.35Å; W444-V459 HydrophobicContact CB-CG1 4.24Å; W444-L468 HydrophobicContact CD2-CD1 4.23Å; W444-L468 HydrophobicContact CD2-CD2 4.3Å; W444-L468 HydrophobicContact CG-CD1 4.15Å; W444-L468 HydrophobicContact CH2-CD2 4.34Å; W444-L468 HydrophobicContact CZ2-CD2 3.57Å; W444-T469 PolarHBondContact NE1-O 3.05Å; W444-I470 HydrophobicContact CZ2-CG1 4.05Å; W444-A484 HydrophobicContact CH2-CB 3.93Å; W444-M488 HydrophobicContact CH2-CB 4.08Å; W444-M488 HydrophobicContact CZ3-CB 4.29Å; W444-Y498 WeakPolarHBondContact CB-OXT 3.37Å
445	L	98.8	Very high	96.4	Very high	61 Å²	61	83.9 Å²	83.9	32%	0.319	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145	-164.6	-54.7	-179.2	0	0	0	112.4	E453 Q454 I455 R491	L445-E453 HydrophobicContact CD1-CB 4.45Å; L445-Q454 WeakPolarHBondContact CA-O 2.96Å; L445-I455 HydrophobicContact CD2-CB 4.43Å; L445-I455 HydrophobicContact CD2-CG1 3.8Å; L445-R491 PolarHBondContact O-NH1 2.83Å; L445-R491 PolarHBondContact O-NH2 2.95Å; L445-R491 VanDerWaalsContact O-NH2 3.16Å
446	V	98.7	Very high	96.5	Very high	2 Å²	2	82 Å²	82	1%	0.012	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.7	171.4	174.2	0	0	0	0	108.6	W444 Y448 Q454 A456 L483 A484 T487	W444-V446 HydrophobicContact CE3-CG2 4.04Å; W444-V446 HydrophobicContact CH2-CG2 3.97Å; W444-V446 HydrophobicContact CZ3-CG2 3.4Å; W444-V446 VanDerWaalsContact CZ3-CG2 3.4Å; V446-Y448 HydrophobicContact CB-CD2 4.43Å; V446-Y448 HydrophobicContact CB-CE2 3.87Å; V446-Y448 HydrophobicContact CG1-CD2 4.11Å; V446-Y448 HydrophobicContact CG1-CE2 3.67Å; V446-Q454 PolarHBondContact N-O 3.35Å; V446-Q454 PolarHBondContact O-N 2.9Å; V446-A456 HydrophobicContact CB-CB 4Å; V446-A456 HydrophobicContact CG2-CB 3.45Å; V446-A456 VanDerWaalsContact CG2-CB 3.45Å; V446-L483 HydrophobicContact CG1-CD2 4.02Å; V446-L483 HydrophobicContact CG1-CG 3.9Å; V446-A484 HydrophobicContact CG2-CB 4.2Å; V446-T487 HydrophobicContact CG2-CG2 4.05Å
447	K	98.3	Very high	96.8	Very high	132 Å²	132	74.3 Å²	74.3	57%	0.574	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.2	176.8	-171.6	172	-174.7	-86.7	0	110.7	G449 G452 E453	K447-G449 PolarHBondContact NZ-O 3.41Å; K447-G449 PolarHBondContact O-N 2.85Å; K447-G452 WeakPolarHBondContact CA-O 3.43Å; K447-E453 HydrophobicContact CB-CG 4.23Å; K447-E453 HydrophobicContact CG-CG 4.49Å
448	Y	97.1	Very high	97.1	Very high	80 Å²	80	73.4 Å²	73.4	31%	0.314	38%	0.377	S	S	.	.			trans	-101.8	72.6	179.6	-76.4	-92.9	0	0	0	111.1	V446 D450 S451 G452 Q454 L483	V446-Y448 HydrophobicContact CB-CD2 4.43Å; V446-Y448 HydrophobicContact CB-CE2 3.87Å; V446-Y448 HydrophobicContact CG1-CD2 4.11Å; V446-Y448 HydrophobicContact CG1-CE2 3.67Å; Y448-D450 PolarHBondContact O-N 3.31Å; Y448-S451 WeakPolarHBondContact O-CB 3.46Å; Y448-S451 PolarHBondContact O-N 2.92Å; Y448-G452 PolarHBondContact N-O 3.19Å; Y448-Q454 HydrophobicContact CD2-CB 4.06Å; Y448-Q454 HydrophobicContact CD2-CG 4.17Å; Y448-Q454 HydrophobicContact CE2-CB 4.31Å; Y448-L483 HydrophobicContact CD1-CD2 3.79Å; Y448-L483 HydrophobicContact CE1-CB 4.41Å; Y448-L483 HydrophobicContact CE1-CD2 3.83Å; Y448-L483 HydrophobicContact CG-CD2 4.32Å
449	G	95.1	Very high	97.6	Very high	47 Å²	47	67.9 Å²	67.9	49%	0.485	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	56	-122.4	178.9	0	0	0	0	0	112.4	K447	K447-G449 PolarHBondContact NZ-O 3.41Å; K447-G449 PolarHBondContact O-N 2.85Å
450	D	96.1	Very high	97.9	Very high	177 Å²	177	67 Å²	67	95%	0.947	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-80.8	-13.2	178.9	-61.1	-34.9	0	0	0	113.5	Y448 G452	Y448-D450 PolarHBondContact O-N 3.31Å; D450-G452 PolarHBondContact O-N 2.78Å
451	S	96.9	Very high	98	Very high	89 Å²	89	60.7 Å²	60.7	62%	0.622	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-75.8	1.9	175.2	-56.9	0	0	0	0	113.6	Y448 Q454	Y448-S451 WeakPolarHBondContact O-CB 3.46Å; Y448-S451 PolarHBondContact O-N 2.92Å; S451-Q454 PolarHBondContact O-NE2 3.29Å
452	G	97.8	Very high	97.9	Very high	27 Å²	27	57 Å²	57	28%	0.278	30%	0.301	S	S	.	.			trans	73.5	-165.7	176.8	0	0	0	0	0	113.8	K447 Y448 D450	K447-G452 WeakPolarHBondContact CA-O 3.43Å; Y448-G452 PolarHBondContact N-O 3.19Å; D450-G452 PolarHBondContact O-N 2.78Å
453	E	98.3	Very high	97.7	Very high	124 Å²	124	54.1 Å²	54.1	58%	0.579	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.6	175.4	-65.4	-167.3	136.2	0	0	111.2	L445 K447	L445-E453 HydrophobicContact CD1-CB 4.45Å; K447-E453 HydrophobicContact CB-CG 4.23Å; K447-E453 HydrophobicContact CG-CG 4.49Å
454	Q	98.7	Very high	97.6	Very high	102 Å²	102	54.5 Å²	54.5	48%	0.477	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.9	176.6	-64.2	-64	-33.4	0	0	109.3	L445 V446 Y448 S451 A456	L445-Q454 WeakPolarHBondContact CA-O 2.96Å; V446-Q454 PolarHBondContact N-O 3.35Å; V446-Q454 PolarHBondContact O-N 2.9Å; Y448-Q454 HydrophobicContact CD2-CB 4.06Å; Y448-Q454 HydrophobicContact CD2-CG 4.17Å; Y448-Q454 HydrophobicContact CE2-CB 4.31Å; S451-Q454 PolarHBondContact O-NE2 3.29Å; Q454-A456 PolarHBondContact O-N 3.32Å; Q454-A456 VanDerWaalsContact O-N 3.1Å
455	I	98.8	Very high	97.6	Very high	70 Å²	70	54.6 Å²	54.6	36%	0.359	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	114.3	171.2	-62.9	174.3	0	0	0	108	P443 L445 G457 K471	P443-I455 HydrophobicContact CB-CD1 4.11Å; P443-I455 HydrophobicContact CB-CG1 4.08Å; P443-I455 HydrophobicContact CB-CG2 3.89Å; L445-I455 HydrophobicContact CD2-CB 4.43Å; L445-I455 HydrophobicContact CD2-CG1 3.8Å; I455-G457 WeakPolarHBondContact CG2-O 3.06Å; I455-K471 WeakPolarHBondContact O-CE 3.32Å; I455-K471 PolarHBondContact O-NZ 3.28Å
456	A	98.8	Very high	97.6	Very high	6 Å²	6	52 Å²	52	5%	0.05	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-16.2	176.5	0	0	0	0	0	112.1	W444 V446 Q454 I470 K471 A484	W444-A456 HydrophobicContact CD2-CB 3.84Å; W444-A456 HydrophobicContact CE3-CB 3.86Å; W444-A456 HydrophobicContact CH2-CB 3.5Å; W444-A456 HydrophobicContact CZ2-CB 3.41Å; W444-A456 VanDerWaalsContact CZ2-CB 3.41Å; W444-A456 HydrophobicContact CZ3-CB 3.73Å; W444-A456 PolarHBondContact O-N 3.25Å; V446-A456 HydrophobicContact CB-CB 4Å; V446-A456 HydrophobicContact CG2-CB 3.45Å; V446-A456 VanDerWaalsContact CG2-CB 3.45Å; Q454-A456 PolarHBondContact O-N 3.32Å; Q454-A456 VanDerWaalsContact O-N 3.1Å; A456-I470 CarbonylContact O-C 3.52Å; A456-I470 WeakPolarHBondContact O-CA 3.46Å; A456-K471 WeakPolarHBondContact O-CB 3.47Å; A456-K471 PolarHBondContact O-N 3.25Å; A456-A484 HydrophobicContact CB-CB 4.36Å
457	G	98.8	Very high	97.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159	-152.9	171.4	0	0	0	0	0	111.1	P443 W444 I455 T469	P443-G457 VanDerWaalsContact CA-O 3.26Å; P443-G457 WeakPolarHBondContact CA-O 3.07Å; W444-G457 VanDerWaalsContact CD1-O 3.27Å; W444-G457 PolarHBondContact N-O 3.49Å; W444-G457 VanDerWaalsContact NE1-CA 3.35Å; I455-G457 WeakPolarHBondContact CG2-O 3.06Å; G457-T469 WeakPolarHBondContact CA-O 3.45Å
458	F	98.9	Very high	97.6	Very high	75 Å²	75	45.6 Å²	45.6	33%	0.329	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.2	178.8	-69.1	-95.2	0	0	0	111.4	R441 R442 P443 L468 T469	R441-F458 HydrophobicContact CG-CB 4.47Å; R441-F458 VanDerWaalsContact NH1-CB 3.27Å; R442-F458 CarbonylContact O-C 3.47Å; R442-F458 WeakPolarHBondContact O-CA 3.3Å; P443-F458 HydrophobicContact CB-CD1 4.41Å; P443-F458 HydrophobicContact CB-CE1 4.31Å; F458-L468 CarbonylContact O-C 3.55Å; F458-L468 VanDerWaalsContact O-CA 3.3Å; F458-L468 WeakPolarHBondContact O-CA 3.24Å; F458-T469 PolarHBondContact N-OG1 3.43Å; F458-T469 PolarHBondContact O-N 3.37Å
459	V	98.7	Very high	97.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.7	177	63.1	0	0	0	0	110.3	R441 R442 W444 E461 A466 F467 L468 Y498	R441-V459 CarbonylContact C-O 3.59Å; R441-V459 VanDerWaalsContact CA-O 3.26Å; R441-V459 WeakPolarHBondContact CA-O 3.21Å; R442-V459 HydrophobicContact CG-CG1 3.67Å; R442-V459 PolarHBondContact N-O 3.34Å; R442-V459 PolarHBondContact O-N 2.87Å; W444-V459 HydrophobicContact CB-CG1 4.24Å; V459-E461 HydrophobicContact CG2-CG 3.59Å; V459-A466 HydrophobicContact CG2-CB 4.44Å; V459-F467 CarbonylContact C-O 3.56Å; V459-F467 WeakPolarHBondContact CA-O 3.46Å; V459-L468 HydrophobicContact CB-CD1 3.79Å; V459-L468 HydrophobicContact CB-CG 4.3Å; V459-L468 HydrophobicContact CG2-CD1 3.77Å; V459-L468 HydrophobicContact CG2-CG 4.48Å; V459-Y498 HydrophobicContact CG2-CD2 3.88Å; V459-Y498 HydrophobicContact CG2-CG 4.32Å
460	K	97.3	Very high	97.9	Very high	29 Å²	29	39.7 Å²	39.7	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.1	170.5	-169.9	178.8	-172.3	178.3	0	108.3	D431 R441 F462 A466 F467	D431-K460 WeakPolarHBondContact OD1-CD 3.34Å; D431-K460 VanDerWaalsContact OD1-CE 3.3Å; D431-K460 WeakPolarHBondContact OD1-CE 3.49Å; D431-K460 IonicContact OD1-NZ 3.28Å; D431-K460 PolarHBondContact OD1-NZ 3.38Å; D431-K460 IonicContact OD2-NZ 2.76Å; D431-K460 PolarHBondContact OD2-NZ 2.03Å; R441-K460 HydrophobicContact CB-CB 4.49Å; R441-K460 HydrophobicContact CG-CB 4.4Å; K460-F462 HydrophobicContact CD-CE2 3.77Å; K460-F462 HydrophobicContact CD-CZ 3.91Å; K460-F462 VanDerWaalsContact CE-CZ 3.46Å; K460-F462 HydrophobicContact CG-CD2 4.5Å; K460-F462 HydrophobicContact CG-CE2 3.75Å; K460-F462 HydrophobicContact CG-CZ 4.18Å; K460-A466 WeakPolarHBondContact O-CA 3.35Å; K460-F467 PolarHBondContact N-O 2.81Å; K460-F467 PolarHBondContact O-N 2.89Å
461	E	96.9	Very high	98	Very high	27 Å²	27	36.1 Å²	36.1	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.7	-172.1	-47.5	177.1	100.3	0	0	110.3	E438 V439 R442 V459 A466 Y498	E438-E461 PolarHBondContact N-O 3.45Å; V439-E461 HydrophobicContact CB-CB 3.85Å; V439-E461 HydrophobicContact CB-CG 4.2Å; V439-E461 HydrophobicContact CG2-CB 3.97Å; V439-E461 HydrophobicContact CG2-CG 4.39Å; V439-E461 WeakPolarHBondContact CG2-OE2 3.4Å; V439-E461 PolarHBondContact N-O 2.97Å; V439-E461 PolarHBondContact O-N 3.1Å; R442-E461 IonicContact CZ-OE2 3.12Å; R442-E461 IonicContact NE-OE2 3.71Å; R442-E461 IonicContact NH2-OE2 3.5Å; R442-E461 PolarHBondContact NH2-OE2 2.89Å; V459-E461 HydrophobicContact CG2-CG 3.59Å; E461-A466 HydrophobicContact CG-CB 4.26Å; E461-Y498 WeakPolarHBondContact OE1-CD2 3.3Å
462	F	97	Very high	98.1	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.066	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	168.9	169	-57.8	-97.6	0	0	0	108.3	V430 D431 Q435 K436 M437 K460 H464 I465	V430-F462 HydrophobicContact CG1-CD2 4.03Å; V430-F462 HydrophobicContact CG1-CE2 3.9Å; D431-F462 WeakPolarHBondContact OD1-CZ 3.47Å; Q435-F462 HydrophobicContact CB-CB 3.91Å; Q435-F462 HydrophobicContact CB-CD1 4.21Å; Q435-F462 HydrophobicContact CB-CG 4.31Å; Q435-F462 VanDerWaalsContact O-CD1 3.27Å; Q435-F462 WeakPolarHBondContact O-CD1 3.35Å; K436-F462 CarbonylContact O-C 3.53Å; K436-F462 VanDerWaalsContact O-CA 3.3Å; K436-F462 WeakPolarHBondContact O-CA 3.26Å; K436-F462 WeakPolarHBondContact O-CB 3.47Å; M437-F462 HydrophobicContact CB-CD1 3.96Å; M437-F462 HydrophobicContact CB-CE1 4.06Å; M437-F462 HydrophobicContact CE-CE1 4.07Å; M437-F462 HydrophobicContact CE-CZ 4.32Å; M437-F462 HydrophobicContact CG-CD1 4.46Å; M437-F462 HydrophobicContact CG-CE1 4.42Å; K460-F462 HydrophobicContact CD-CE2 3.77Å; K460-F462 HydrophobicContact CD-CZ 3.91Å; K460-F462 VanDerWaalsContact CE-CZ 3.46Å; K460-F462 HydrophobicContact CG-CD2 4.5Å; K460-F462 HydrophobicContact CG-CE2 3.75Å; K460-F462 HydrophobicContact CG-CZ 4.18Å; F462-H464 PolarHBondContact O-N 2.02Å; F462-I465 CarbonylContact C-O 3.55Å; F462-I465 WeakPolarHBondContact CA-O 3.38Å; F462-I465 HydrophobicContact CB-CG2 3.82Å; F462-I465 WeakPolarHBondContact CB-O 3.44Å; F462-I465 PolarHBondContact N-O 3.49Å; F462-I465 PolarHBondContact O-N 3.16Å
463	S	92.9	Very high	98.2	Very high	15 Å²	15	32 Å²	32	11%	0.105	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	117.8	175.5	-153	0	0	0	0	110.7	K436 E438 I465	K436-S463 PolarHBondContact O-N 3.25Å; E438-S463 VanDerWaalsContact CD-CA 3.46Å; E438-S463 WeakPolarHBondContact OE1-CA 3.43Å; E438-S463 WeakPolarHBondContact OE1-CB 3.39Å; E438-S463 PolarHBondContact OE1-OG 2.9Å; S463-I465 PolarHBondContact O-N 2.58Å; S463-I465 VanDerWaalsContact O-N 3.17Å
464	H	96.9	Very high	98.2	Very high	64 Å²	64	26.1 Å²	26.1	30%	0.296	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	-1.2	178.7	-58.1	77.6	0	0	0	116.9	L403 Q406 I410 F462	L403-H464 HydrophobicContact CD2-CB 3.92Å; Q406-H464 PolarHBondContact O-CD2 3.06Å; Q406-H464 PolarHBondContact O-NE2 3.28Å; Q406-H464 PolarHBondContact OE1-CE1 3.29Å; Q406-H464 PolarHBondContact OE1-ND1 3.15Å; I410-H464 WeakPolarHBondContact CB-O 3.5Å; I410-H464 PolarHBondContact N-O 2.92Å; F462-H464 PolarHBondContact O-N 2.02Å
465	I	98.6	Very high	98.2	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132	175.9	-172.9	167.1	0	0	0	112.1	Y399 L403 I410 L412 V430 L433 Q435 F462 S463	Y399-I465 HydrophobicContact CD1-CD1 4.23Å; L403-I465 HydrophobicContact CD1-CD1 4.46Å; L403-I465 HydrophobicContact CD1-CG2 4.35Å; L403-I465 HydrophobicContact CD2-CB 4.04Å; L403-I465 HydrophobicContact CD2-CG2 4.1Å; I410-I465 HydrophobicContact CB-CB 4.09Å; I410-I465 HydrophobicContact CB-CD1 4.38Å; I410-I465 HydrophobicContact CB-CG1 4Å; I410-I465 HydrophobicContact CG2-CB 4.44Å; I410-I465 HydrophobicContact CG2-CD1 3.83Å; I410-I465 HydrophobicContact CG2-CG1 3.83Å; I410-I465 VanDerWaalsContact O-CA 3.32Å; I410-I465 WeakPolarHBondContact O-CA 3.26Å; L412-I465 HydrophobicContact CD1-CD1 3.96Å; L412-I465 HydrophobicContact CD1-CG1 4.39Å; V430-I465 HydrophobicContact CG1-CD1 4.12Å; V430-I465 HydrophobicContact CG1-CG1 4.19Å; V430-I465 HydrophobicContact CG2-CD1 4.26Å; L433-I465 HydrophobicContact CD1-CD1 3.6Å; Q435-I465 HydrophobicContact CB-CG2 4.43Å; Q435-I465 HydrophobicContact CG-CG2 4.15Å; F462-I465 CarbonylContact C-O 3.55Å; F462-I465 WeakPolarHBondContact CA-O 3.38Å; F462-I465 HydrophobicContact CB-CG2 3.82Å; F462-I465 WeakPolarHBondContact CB-O 3.44Å; F462-I465 PolarHBondContact N-O 3.49Å; F462-I465 PolarHBondContact O-N 3.16Å; S463-I465 PolarHBondContact O-N 2.58Å; S463-I465 VanDerWaalsContact O-N 3.17Å
466	A	98.8	Very high	98.2	Very high	6 Å²	6	19.9 Å²	19.9	5%	0.05	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.6	172.3	0	0	0	0	0	110.8	I410 L411 L412 V459 K460 E461 Y498	I410-A466 PolarHBondContact O-N 3.23Å; L411-A466 HydrophobicContact CD1-CB 4.13Å; L412-A466 PolarHBondContact N-O 2.99Å; V459-A466 HydrophobicContact CG2-CB 4.44Å; K460-A466 WeakPolarHBondContact O-CA 3.35Å; E461-A466 HydrophobicContact CG-CB 4.26Å; A466-Y498 HydrophobicContact CB-CD2 4.25Å; A466-Y498 HydrophobicContact CB-CE2 3.66Å
467	F	98.9	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.1	164.2	172.2	-100.2	0	0	0	109.2	L412 N414 F423 D426 E427 V430 V459 K460 T469	L412-F467 HydrophobicContact CB-CD2 4.42Å; L412-F467 CarbonylContact O-C 3.56Å; L412-F467 WeakPolarHBondContact O-CA 3.46Å; N414-F467 HydrophobicContact CB-CE2 4.49Å; N414-F467 WeakPolarHBondContact OD1-CE2 3.34Å; F423-F467 HydrophobicContact CB-CZ 4.19Å; F423-F467 HydrophobicContact CD2-CZ 4.33Å; F423-F467 VanDerWaalsContact O-CZ 3.25Å; F423-F467 WeakPolarHBondContact O-CZ 3.17Å; D426-F467 HydrophobicContact CB-CD2 4.48Å; D426-F467 HydrophobicContact CB-CE2 3.99Å; E427-F467 HydrophobicContact CB-CD1 3.89Å; E427-F467 HydrophobicContact CB-CD2 4.37Å; E427-F467 HydrophobicContact CB-CE1 3.46Å; E427-F467 VanDerWaalsContact CB-CE1 3.46Å; E427-F467 HydrophobicContact CB-CE2 3.98Å; E427-F467 HydrophobicContact CB-CG 4.32Å; E427-F467 HydrophobicContact CB-CZ 3.51Å; E427-F467 VanDerWaalsContact CD-CE1 3.46Å; E427-F467 HydrophobicContact CG-CD1 3.64Å; E427-F467 HydrophobicContact CG-CE1 3.54Å; E427-F467 HydrophobicContact CG-CG 4.33Å; E427-F467 HydrophobicContact CG-CZ 4.15Å; E427-F467 WeakPolarHBondContact OE2-CE1 3.23Å; V430-F467 HydrophobicContact CB-CB 4.16Å; V430-F467 HydrophobicContact CG1-CB 4.12Å; V430-F467 HydrophobicContact CG2-CB 4.12Å; V430-F467 HydrophobicContact CG2-CD2 4.4Å; V459-F467 CarbonylContact C-O 3.56Å; V459-F467 WeakPolarHBondContact CA-O 3.46Å; K460-F467 PolarHBondContact N-O 2.81Å; K460-F467 PolarHBondContact O-N 2.89Å; F467-T469 HydrophobicContact CE1-CG2 3.64Å; F467-T469 HydrophobicContact CZ-CG2 3.77Å
468	L	98.8	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.6	-174.8	-164	131.2	0	0	0	111.5	L411 L412 Y413 N414 W444 F458 V459 I470 M488 Y498	L411-L468 HydrophobicContact CD1-CB 3.95Å; L412-L468 PolarHBondContact O-N 3.18Å; Y413-L468 CarbonylContact C-O 2.98Å; Y413-L468 WeakPolarHBondContact CA-O 3.44Å; N414-L468 PolarHBondContact N-O 2.65Å; W444-L468 HydrophobicContact CD2-CD1 4.23Å; W444-L468 HydrophobicContact CD2-CD2 4.3Å; W444-L468 HydrophobicContact CG-CD1 4.15Å; W444-L468 HydrophobicContact CH2-CD2 4.34Å; W444-L468 HydrophobicContact CZ2-CD2 3.57Å; F458-L468 CarbonylContact O-C 3.55Å; F458-L468 VanDerWaalsContact O-CA 3.3Å; F458-L468 WeakPolarHBondContact O-CA 3.24Å; V459-L468 HydrophobicContact CB-CD1 3.79Å; V459-L468 HydrophobicContact CB-CG 4.3Å; V459-L468 HydrophobicContact CG2-CD1 3.77Å; V459-L468 HydrophobicContact CG2-CG 4.48Å; L468-I470 HydrophobicContact CD2-CD1 3.94Å; L468-I470 HydrophobicContact CD2-CG1 4.13Å; L468-M488 HydrophobicContact CD2-CG 4.01Å; L468-M488 HydrophobicContact CD2-SD 3.9Å; L468-Y498 HydrophobicContact CD1-CD1 3.73Å; L468-Y498 HydrophobicContact CD1-CD2 4.12Å; L468-Y498 HydrophobicContact CD1-CE1 4.49Å; L468-Y498 HydrophobicContact CD1-CG 3.51Å
469	T	98.9	Very high	98.2	Very high	3 Å²	3	19 Å²	19	2%	0.018	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.1	168	72	0	0	0	0	110.9	N414 F423 W444 G457 F458 F467	N414-T469 CarbonylContact O-C 3.58Å; N414-T469 VanDerWaalsContact O-CA 3.25Å; N414-T469 WeakPolarHBondContact O-CA 3.38Å; F423-T469 HydrophobicContact CB-CG2 4.13Å; F423-T469 HydrophobicContact CD2-CG2 3.72Å; F423-T469 HydrophobicContact CG-CG2 4.14Å; W444-T469 PolarHBondContact NE1-O 3.05Å; G457-T469 WeakPolarHBondContact CA-O 3.45Å; F458-T469 PolarHBondContact N-OG1 3.43Å; F458-T469 PolarHBondContact O-N 3.37Å; F467-T469 HydrophobicContact CE1-CG2 3.64Å; F467-T469 HydrophobicContact CZ-CG2 3.77Å
470	I	98.9	Very high	98.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107.8	168.6	-57.8	84	0	0	0	108	Y413 N414 D416 W444 A456 L468 G472 A473 V477 K481 A484 M488	Y413-I470 HydrophobicContact CD2-CD1 3.71Å; Y413-I470 HydrophobicContact CG-CD1 4.19Å; N414-I470 PolarHBondContact O-N 3.24Å; D416-I470 PolarHBondContact N-O 2.9Å; W444-I470 HydrophobicContact CZ2-CG1 4.05Å; A456-I470 CarbonylContact O-C 3.52Å; A456-I470 WeakPolarHBondContact O-CA 3.46Å; L468-I470 HydrophobicContact CD2-CD1 3.94Å; L468-I470 HydrophobicContact CD2-CG1 4.13Å; I470-G472 PolarHBondContact O-N 3.22Å; I470-A473 HydrophobicContact CB-CB 3.98Å; I470-A473 HydrophobicContact CG2-CB 3.72Å; I470-A473 PolarHBondContact O-N 3.24Å; I470-V477 HydrophobicContact CB-CG1 4.04Å; I470-V477 HydrophobicContact CD1-CG1 3.85Å; I470-V477 HydrophobicContact CD1-CG2 4.2Å; I470-V477 HydrophobicContact CG1-CG1 3.71Å; I470-V477 HydrophobicContact CG2-CG1 4.12Å; I470-K481 HydrophobicContact CG2-CB 3.85Å; I470-K481 HydrophobicContact CG2-CG 3.85Å; I470-A484 HydrophobicContact CG2-CB 4.36Å; I470-M488 HydrophobicContact CD1-SD 4.27Å
471	K	98.9	Very high	98.3	Very high	101 Å²	101	23.5 Å²	23.5	44%	0.439	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	119.1	-171.6	-175.1	-179.5	55.7	55.1	0	112	D416 I455 A456 A473 K481	D416-K471 WeakPolarHBondContact OD1-CA 3.32Å; D416-K471 WeakPolarHBondContact OD2-CA 3.01Å; I455-K471 WeakPolarHBondContact O-CE 3.32Å; I455-K471 PolarHBondContact O-NZ 3.28Å; A456-K471 WeakPolarHBondContact O-CB 3.47Å; A456-K471 PolarHBondContact O-N 3.25Å; K471-A473 VanDerWaalsContact C-N 3.32Å; K471-K481 WeakPolarHBondContact O-CE 3.24Å
472	G	98.7	Very high	98.3	Very high	30 Å²	30	24.3 Å²	24.3	31%	0.309	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	15.5	179.6	0	0	0	0	0	114.1	D416 I470 K481	D416-G472 PolarHBondContact OD1-N 2.96Å; I470-G472 PolarHBondContact O-N 3.22Å; G472-K481 WeakPolarHBondContact O-CE 3.47Å
473	A	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.			trans	-94.5	145.5	167	0	0	0	0	0	110.3	G415 D416 V417 I470 K471 V477 D480 K481	G415-A473 CarbonylContact C-O 3.49Å; G415-A473 WeakPolarHBondContact CA-O 3.01Å; D416-A473 PolarHBondContact N-O 2.98Å; D416-A473 VanDerWaalsContact N-O 3.11Å; V417-A473 VanDerWaalsContact CG2-C 3.49Å; V417-A473 WeakPolarHBondContact CG2-O 3.41Å; V417-A473 PolarHBondContact N-O 2.96Å; I470-A473 HydrophobicContact CB-CB 3.98Å; I470-A473 HydrophobicContact CG2-CB 3.72Å; I470-A473 PolarHBondContact O-N 3.24Å; K471-A473 VanDerWaalsContact C-N 3.32Å; A473-V477 HydrophobicContact CB-CB 4.46Å; A473-V477 HydrophobicContact CB-CG1 4.36Å; A473-V477 HydrophobicContact CB-CG2 4.11Å; A473-D480 HydrophobicContact CB-CB 4.1Å; A473-K481 HydrophobicContact CB-CB 4.35Å; A473-K481 HydrophobicContact CB-CG 3.7Å
474	G	98.8	Very high	98.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.			trans	-88.3	-147.3	169.4	0	0	0	0	0	112.3	Y293 G415 D480	Y293-G474 CarbonylContact O-C 3.18Å; Y293-G474 WeakPolarHBondContact O-CA 3.41Å; G415-G474 WeakPolarHBondContact CA-O 3.33Å; G474-D480 VanDerWaalsContact CA-OD2 3.29Å; G474-D480 WeakPolarHBondContact CA-OD2 3.41Å; G474-D480 PolarHBondContact N-OD2 3Å
475	H	98.8	Very high	98.8	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.023	12%	0.119	C	C	.	.	S	Bend	trans	-65.9	-50.6	-174.2	-159.4	67.1	0	0	0	111.8	E195 S196 N224 Y293 D418 V477	E195-H475 IonicContact OE1-CD2 2.77Å; E195-H475 VanDerWaalsContact OE2-O 3.08Å; S196-H475 WeakPolarHBondContact CB-NE2 3.5Å; S196-H475 PolarHBondContact OG-CE1 3.3Å; S196-H475 PolarHBondContact OG-NE2 2.87Å; N224-H475 PolarHBondContact OD1-O 3.28Å; Y293-H475 HydrophobicContact CD1-CB 3.46Å; Y293-H475 VanDerWaalsContact CD1-CB 3.46Å; Y293-H475 AromaticContact CD1-CD2 3.54Å; Y293-H475 AromaticContact CD1-CG 3.38Å; Y293-H475 AromaticContact CD1-ND1 3.93Å; Y293-H475 HydrophobicContact CE1-CB 4.27Å; Y293-H475 AromaticContact CE1-CD2 3.41Å; Y293-H475 VanDerWaalsContact CE1-CD2 3.41Å; Y293-H475 WeakPolarHBondContact CE1-CD2 3.04Å; Y293-H475 AromaticContact CE1-CG 3.73Å; Y293-H475 AromaticContact CE1-NE2 3.65Å; Y293-H475 HydrophobicContact CG-CB 3.76Å; Y293-H475 PolarHBondContact O-N 3.08Å; D418-H475 HydrophobicContact CB-CB 4.44Å; D418-H475 VanDerWaalsContact CG-ND1 3.26Å; D418-H475 IonicContact OD1-CG 3.56Å; D418-H475 IonicContact OD1-ND1 2.72Å; D418-H475 PolarHBondContact OD1-ND1 3.43Å; D418-H475 IonicContact OD2-CE1 3.98Å; D418-H475 IonicContact OD2-CG 2.92Å; D418-H475 IonicContact OD2-ND1 2.66Å; D418-H475 PolarHBondContact OD2-ND1 3.4Å; H475-V477 PolarHBondContact O-N 2.75Å; H475-V477 VanDerWaalsContact O-N 3.14Å
476	M	98.7	Very high	98.8	Very high	37 Å²	37	23.3 Å²	23.3	18%	0.182	13%	0.127	C	C	.	.	S	Bend	trans	-85.7	78.3	176	-63.7	171.4	-69.2	0	0	109.4	E115 E195 T350 P478 T479 D480	E115-M476 HydrophobicContact CG-CB 4.43Å; E195-M476 WeakPolarHBondContact OE1-CA 3.27Å; E195-M476 WeakPolarHBondContact OE1-CG 3.29Å; T350-M476 HydrophobicContact CG2-CE 4.39Å; M476-P478 VanDerWaalsContact C-N 3.34Å; M476-T479 WeakPolarHBondContact O-CB 3.36Å; M476-T479 PolarHBondContact O-N 3.36Å; M476-T479 VanDerWaalsContact O-N 3.12Å; M476-D480 PolarHBondContact O-N 2.87Å
477	V	98.9	Very high	98.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-52.8	-43.6	-176.9	170.6	0	0	0	0	113.2	N224 Y413 I470 A473 H475 T479 D480 K481 A485	N224-V477 WeakPolarHBondContact OD1-CG2 3.4Å; Y413-V477 HydrophobicContact CD2-CB 4.37Å; Y413-V477 HydrophobicContact CD2-CG1 4.31Å; Y413-V477 HydrophobicContact CD2-CG2 4.21Å; Y413-V477 HydrophobicContact CE2-CB 4.04Å; Y413-V477 HydrophobicContact CE2-CG1 4.25Å; Y413-V477 HydrophobicContact CE2-CG2 4.21Å; I470-V477 HydrophobicContact CB-CG1 4.04Å; I470-V477 HydrophobicContact CD1-CG1 3.85Å; I470-V477 HydrophobicContact CD1-CG2 4.2Å; I470-V477 HydrophobicContact CG1-CG1 3.71Å; I470-V477 HydrophobicContact CG2-CG1 4.12Å; A473-V477 HydrophobicContact CB-CB 4.46Å; A473-V477 HydrophobicContact CB-CG1 4.36Å; A473-V477 HydrophobicContact CB-CG2 4.11Å; H475-V477 PolarHBondContact O-N 2.75Å; H475-V477 VanDerWaalsContact O-N 3.14Å; V477-T479 VanDerWaalsContact C-N 3.28Å; V477-T479 PolarHBondContact O-N 3.4Å; V477-D480 PolarHBondContact O-N 3.22Å; V477-K481 PolarHBondContact O-N 2.89Å; V477-A485 HydrophobicContact CG1-CB 4.13Å
478	P	98.8	Very high	98.8	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.013	13%	0.132	C	C	.	.	H	α-helix	trans	-67.6	-28.8	-178.7	-11.9	26.2	0	0	0	112.9	E115 H116 W135 M476 P482 A485	E115-P478 HydrophobicContact CB-CB 3.95Å; E115-P478 HydrophobicContact CB-CG 4.11Å; H116-P478 HydrophobicContact CB-CB 3.89Å; H116-P478 HydrophobicContact CB-CG 4.48Å; W135-P478 HydrophobicContact CZ2-CG 4.42Å; M476-P478 VanDerWaalsContact C-N 3.34Å; P478-P482 WeakPolarHBondContact O-CA 3.33Å; P478-P482 VanDerWaalsContact O-CB 3.27Å; P478-P482 WeakPolarHBondContact O-CB 3.44Å; P478-A485 HydrophobicContact CB-CB 4.05Å; P478-A485 HydrophobicContact CG-CB 4.42Å
479	T	98.8	Very high	98.8	Very high	59 Å²	59	24.3 Å²	24.3	36%	0.362	13%	0.132	S	C	.	.	H	α-helix	trans	-68.2	-47.3	173.8	-53.2	0	0	0	0	111.5	T114 M476 V477	T114-T479 PolarHBondContact O-OG1 3.47Å; T114-T479 VanDerWaalsContact O-OG1 3.09Å; M476-T479 WeakPolarHBondContact O-CB 3.36Å; M476-T479 PolarHBondContact O-N 3.36Å; M476-T479 VanDerWaalsContact O-N 3.12Å; V477-T479 VanDerWaalsContact C-N 3.28Å; V477-T479 PolarHBondContact O-N 3.4Å
480	D	98.8	Very high	98.8	Very high	55 Å²	55	25.5 Å²	25.5	29%	0.294	14%	0.14	S	C	.	.	H	α-helix	trans	-80.5	-32.6	-172.8	-73.7	-20.9	0	0	0	113.6	N294 A473 G474 M476 V477	N294-D480 PolarHBondContact ND2-OD2 3.28Å; A473-D480 HydrophobicContact CB-CB 4.1Å; G474-D480 VanDerWaalsContact CA-OD2 3.29Å; G474-D480 WeakPolarHBondContact CA-OD2 3.41Å; G474-D480 PolarHBondContact N-OD2 3Å; M476-D480 PolarHBondContact O-N 2.87Å; V477-D480 PolarHBondContact O-N 3.22Å
481	K	98.8	Very high	98.8	Very high	71 Å²	71	27.9 Å²	27.9	31%	0.309	15%	0.149	S	C	.	.	S	Bend	trans	-137.9	63.8	-176.4	-61.4	-65.2	174.3	-148.4	0	111.7	I470 K471 G472 A473 V477 L483 A484 A485	I470-K481 HydrophobicContact CG2-CB 3.85Å; I470-K481 HydrophobicContact CG2-CG 3.85Å; K471-K481 WeakPolarHBondContact O-CE 3.24Å; G472-K481 WeakPolarHBondContact O-CE 3.47Å; A473-K481 HydrophobicContact CB-CB 4.35Å; A473-K481 HydrophobicContact CB-CG 3.7Å; V477-K481 PolarHBondContact O-N 2.89Å; K481-L483 PolarHBondContact O-N 3.5Å; K481-A484 HydrophobicContact CB-CB 4.04Å; K481-A484 PolarHBondContact O-N 2.91Å; K481-A484 VanDerWaalsContact O-N 3.09Å; K481-A485 WeakPolarHBondContact O-CB 3.4Å; K481-A485 PolarHBondContact O-N 3.29Å
482	P	98.8	Very high	98.8	Very high	43 Å²	43	23.1 Å²	23.1	28%	0.279	13%	0.128	S	C	.	.	H	α-helix	trans	-60.6	-43.8	-168.6	23.1	-35.3	0	0	0	113.9	Y133 P478 A484 A485 F486	Y133-P482 HydrophobicContact CD2-CB 3.52Å; Y133-P482 HydrophobicContact CD2-CG 3.81Å; Y133-P482 HydrophobicContact CE2-CB 4.32Å; Y133-P482 HydrophobicContact CE2-CG 4.13Å; Y133-P482 HydrophobicContact CG-CB 3.94Å; P478-P482 WeakPolarHBondContact O-CA 3.33Å; P478-P482 VanDerWaalsContact O-CB 3.27Å; P478-P482 WeakPolarHBondContact O-CB 3.44Å; P482-A484 PolarHBondContact O-N 3.17Å; P482-A485 PolarHBondContact O-N 3.21Å; P482-F486 WeakPolarHBondContact O-CB 3.38Å; P482-F486 PolarHBondContact O-N 2.88Å
483	L	98.9	Very high	98.8	Very high	38 Å²	38	22.1 Å²	22.1	20%	0.199	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-40.2	176.9	175.7	60	0	0	0	112.5	Y133 V446 Y448 K481 T487	Y133-L483 HydrophobicContact CD1-CB 4.03Å; Y133-L483 HydrophobicContact CD1-CD1 3.99Å; Y133-L483 HydrophobicContact CE1-CB 3.76Å; Y133-L483 HydrophobicContact CE1-CD1 3.7Å; Y133-L483 HydrophobicContact CE1-CG 4.21Å; V446-L483 HydrophobicContact CG1-CD2 4.02Å; V446-L483 HydrophobicContact CG1-CG 3.9Å; Y448-L483 HydrophobicContact CD1-CD2 3.79Å; Y448-L483 HydrophobicContact CE1-CB 4.41Å; Y448-L483 HydrophobicContact CE1-CD2 3.83Å; Y448-L483 HydrophobicContact CG-CD2 4.32Å; K481-L483 PolarHBondContact O-N 3.5Å; L483-T487 WeakPolarHBondContact O-CB 3.42Å; L483-T487 PolarHBondContact O-N 2.85Å; L483-T487 PolarHBondContact O-OG1 3.42Å
484	A	98.9	Very high	98.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-70	-42.3	179.3	0	0	0	0	0	110.9	W444 V446 A456 I470 K481 P482 T487 M488	W444-A484 HydrophobicContact CH2-CB 3.93Å; V446-A484 HydrophobicContact CG2-CB 4.2Å; A456-A484 HydrophobicContact CB-CB 4.36Å; I470-A484 HydrophobicContact CG2-CB 4.36Å; K481-A484 HydrophobicContact CB-CB 4.04Å; K481-A484 PolarHBondContact O-N 2.91Å; K481-A484 VanDerWaalsContact O-N 3.09Å; P482-A484 PolarHBondContact O-N 3.17Å; A484-T487 PolarHBondContact O-N 3.46Å; A484-M488 WeakPolarHBondContact O-CB 3.36Å; A484-M488 PolarHBondContact O-N 2.88Å
485	A	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-47.2	174.2	0	0	0	0	0	111.4	V477 P478 K481 P482 T487 M488 F489	V477-A485 HydrophobicContact CG1-CB 4.13Å; P478-A485 HydrophobicContact CB-CB 4.05Å; P478-A485 HydrophobicContact CG-CB 4.42Å; K481-A485 WeakPolarHBondContact O-CB 3.4Å; K481-A485 PolarHBondContact O-N 3.29Å; P482-A485 PolarHBondContact O-N 3.21Å; A485-T487 PolarHBondContact O-N 2.84Å; A485-M488 PolarHBondContact O-N 3.31Å; A485-F489 VanDerWaalsContact O-CB 3.25Å; A485-F489 WeakPolarHBondContact O-CB 3.46Å; A485-F489 PolarHBondContact O-N 3.29Å
486	F	98.9	Very high	98.8	Very high	38 Å²	38	36.1 Å²	36.1	17%	0.167	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-42	175.5	179.9	-99	0	0	0	112.5	S134 L137 I138 P482 F489 S490	S134-F486 WeakPolarHBondContact O-CE2 3.34Å; L137-F486 HydrophobicContact CB-CE2 3.91Å; L137-F486 HydrophobicContact CB-CZ 4.14Å; L137-F486 HydrophobicContact CD1-CE2 3.94Å; L137-F486 HydrophobicContact CD1-CZ 4.1Å; I138-F486 HydrophobicContact CD1-CE2 4.25Å; I138-F486 HydrophobicContact CD1-CZ 4.3Å; I138-F486 HydrophobicContact CG1-CE2 4.22Å; I138-F486 HydrophobicContact CG1-CZ 4.48Å; I138-F486 HydrophobicContact CG2-CZ 4.24Å; P482-F486 WeakPolarHBondContact O-CB 3.38Å; P482-F486 PolarHBondContact O-N 2.88Å; F486-F489 PolarHBondContact O-N 3.4Å; F486-S490 VanDerWaalsContact O-CB 3.28Å; F486-S490 WeakPolarHBondContact O-CB 3.48Å; F486-S490 PolarHBondContact O-N 3.4Å
487	T	98.9	Very high	98.7	Very high	25 Å²	25	38.9 Å²	38.9	15%	0.153	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-44.8	178.5	-57.4	0	0	0	0	111.4	V446 L483 A484 A485 S490 R491	V446-T487 HydrophobicContact CG2-CG2 4.05Å; L483-T487 WeakPolarHBondContact O-CB 3.42Å; L483-T487 PolarHBondContact O-N 2.85Å; L483-T487 PolarHBondContact O-OG1 3.42Å; A484-T487 PolarHBondContact O-N 3.46Å; A485-T487 PolarHBondContact O-N 2.84Å; T487-S490 PolarHBondContact O-N 3.48Å; T487-R491 WeakPolarHBondContact O-CG 3.32Å; T487-R491 PolarHBondContact O-N 3.05Å
488	M	98.9	Very high	98.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-49.9	174	175.7	-155.4	76.4	0	0	111	W135 L411 Y413 W444 L468 I470 A484 A485 S490 R491 F492 Y498	W135-M488 HydrophobicContact CZ2-CE 4.44Å; L411-M488 HydrophobicContact CD2-CE 4.17Å; L411-M488 HydrophobicContact CD2-CG 3.9Å; L411-M488 HydrophobicContact CD2-SD 3.9Å; Y413-M488 VanDerWaalsContact CB-SD 3.55Å; Y413-M488 HydrophobicContact CD1-CE 3.59Å; Y413-M488 HydrophobicContact CD1-SD 3.83Å; Y413-M488 HydrophobicContact CD2-CE 3.92Å; Y413-M488 HydrophobicContact CD2-SD 3.87Å; Y413-M488 HydrophobicContact CE1-CE 3.68Å; Y413-M488 HydrophobicContact CE2-CE 4.02Å; Y413-M488 HydrophobicContact CG-CE 3.71Å; Y413-M488 HydrophobicContact CG-SD 3.46Å; W444-M488 HydrophobicContact CH2-CB 4.08Å; W444-M488 HydrophobicContact CZ3-CB 4.29Å; L468-M488 HydrophobicContact CD2-CG 4.01Å; L468-M488 HydrophobicContact CD2-SD 3.9Å; I470-M488 HydrophobicContact CD1-SD 4.27Å; A484-M488 WeakPolarHBondContact O-CB 3.36Å; A484-M488 PolarHBondContact O-N 2.88Å; A485-M488 PolarHBondContact O-N 3.31Å; M488-S490 PolarHBondContact O-N 2.69Å; M488-R491 PolarHBondContact O-N 3.48Å; M488-F492 WeakPolarHBondContact O-CB 3.47Å; M488-F492 PolarHBondContact O-N 2.8Å; M488-Y498 HydrophobicContact CG-CD1 4.37Å; M488-Y498 HydrophobicContact CG-CE1 4.27Å
489	F	98.9	Very high	98.6	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-44.8	178.8	175.2	-109.4	0	0	0	112.2	V97 W135 I138 A139 A485 F486 F492 L493	V97-F489 HydrophobicContact CG1-CE2 4.1Å; V97-F489 HydrophobicContact CG1-CZ 4.31Å; V97-F489 HydrophobicContact CG2-CE2 4.31Å; V97-F489 HydrophobicContact CG2-CZ 4.04Å; W135-F489 HydrophobicContact CB-CD1 3.96Å; W135-F489 HydrophobicContact CB-CE1 3.57Å; W135-F489 HydrophobicContact CB-CZ 3.9Å; W135-F489 AromaticContact CD1-CD1 3.93Å; W135-F489 HydrophobicContact CD2-CB 4.18Å; W135-F489 AromaticContact CD2-CD1 3.87Å; W135-F489 HydrophobicContact CD2-CD1 3.87Å; W135-F489 AromaticContact CD2-CD2 3.65Å; W135-F489 HydrophobicContact CD2-CD2 3.65Å; W135-F489 HydrophobicContact CD2-CE1 4.07Å; W135-F489 AromaticContact CD2-CE2 3.87Å; W135-F489 HydrophobicContact CD2-CE2 3.87Å; W135-F489 AromaticContact CD2-CG 3.63Å; W135-F489 HydrophobicContact CD2-CG 3.63Å; W135-F489 HydrophobicContact CD2-CZ 4.04Å; W135-F489 AromaticContact CE2-CD2 3.97Å; W135-F489 AromaticContact CE2-CG 3.75Å; W135-F489 HydrophobicContact CE3-CD1 4.43Å; W135-F489 AromaticContact CE3-CD2 3.51Å; W135-F489 HydrophobicContact CE3-CD2 3.51Å; W135-F489 HydrophobicContact CE3-CE1 4.36Å; W135-F489 AromaticContact CE3-CE2 3.43Å; W135-F489 HydrophobicContact CE3-CE2 3.43Å; W135-F489 VanDerWaalsContact CE3-CE2 3.43Å; W135-F489 HydrophobicContact CE3-CG 4.01Å; W135-F489 AromaticContact CE3-CZ 3.85Å; W135-F489 HydrophobicContact CE3-CZ 3.85Å; W135-F489 AromaticContact CG-CD1 3.65Å; W135-F489 HydrophobicContact CG-CD1 3.65Å; W135-F489 HydrophobicContact CG-CD2 4.32Å; W135-F489 AromaticContact CG-CE1 3.75Å; W135-F489 HydrophobicContact CG-CE1 3.75Å; W135-F489 HydrophobicContact CG-CE2 4.41Å; W135-F489 AromaticContact CG-CG 3.92Å; W135-F489 HydrophobicContact CG-CG 3.92Å; W135-F489 HydrophobicContact CG-CZ 4.11Å; W135-F489 HydrophobicContact CH2-CD2 4.02Å; W135-F489 HydrophobicContact CZ2-CB 4Å; W135-F489 HydrophobicContact CZ2-CD2 4.15Å; W135-F489 HydrophobicContact CZ2-CG 4.22Å; W135-F489 AromaticContact CZ3-CD2 3.71Å; W135-F489 HydrophobicContact CZ3-CD2 3.71Å; W135-F489 AromaticContact CZ3-CE2 3.85Å; W135-F489 HydrophobicContact CZ3-CE2 3.85Å; W135-F489 HydrophobicContact CZ3-CG 4.45Å; W135-F489 WeakPolarHBondContact O-CE1 3.37Å; I138-F489 HydrophobicContact CD1-CD1 4.02Å; I138-F489 HydrophobicContact CD1-CE1 4.08Å; I138-F489 HydrophobicContact CG1-CD1 4.29Å; I138-F489 HydrophobicContact CG1-CE1 3.91Å; A139-F489 HydrophobicContact CB-CE1 4.24Å; A139-F489 HydrophobicContact CB-CZ 3.98Å; A485-F489 VanDerWaalsContact O-CB 3.25Å; A485-F489 WeakPolarHBondContact O-CB 3.46Å; A485-F489 PolarHBondContact O-N 3.29Å; F486-F489 PolarHBondContact O-N 3.4Å; F489-F492 WeakPolarHBondContact O-CB 3.03Å; F489-F492 PolarHBondContact O-N 2.95Å; F489-L493 HydrophobicContact CD1-CD1 4.2Å; F489-L493 HydrophobicContact CD2-CD1 4.5Å; F489-L493 HydrophobicContact CD2-CG 4.32Å; F489-L493 HydrophobicContact CE1-CD1 3.5Å; F489-L493 VanDerWaalsContact CE1-CD1 3.5Å; F489-L493 HydrophobicContact CE1-CG 4.29Å; F489-L493 HydrophobicContact CE2-CD1 3.86Å; F489-L493 HydrophobicContact CE2-CD2 4.16Å; F489-L493 HydrophobicContact CE2-CG 3.94Å; F489-L493 HydrophobicContact CZ-CD1 3.33Å; F489-L493 HydrophobicContact CZ-CD2 4.39Å; F489-L493 HydrophobicContact CZ-CG 3.96Å; F489-L493 PolarHBondContact O-N 3.18Å
490	S	98.9	Very high	98.6	Very high	28 Å²	28	40.6 Å²	40.6	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-46.7	175.9	-178.8	0	0	0	0	111.9	F486 T487 M488 F492 L493 N494	F486-S490 VanDerWaalsContact O-CB 3.28Å; F486-S490 WeakPolarHBondContact O-CB 3.48Å; F486-S490 PolarHBondContact O-N 3.4Å; T487-S490 PolarHBondContact O-N 3.48Å; M488-S490 PolarHBondContact O-N 2.69Å; S490-F492 VanDerWaalsContact C-N 3.34Å; S490-F492 PolarHBondContact O-N 3.43Å; S490-L493 PolarHBondContact O-N 3.28Å; S490-N494 VanDerWaalsContact O-CB 3.31Å; S490-N494 WeakPolarHBondContact O-CB 3.43Å; S490-N494 PolarHBondContact O-N 3.18Å; S490-N494 PolarHBondContact O-ND2 3.39Å
491	R	98.9	Very high	98.6	Very high	50 Å²	50	39.8 Å²	39.8	19%	0.189	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-41.3	176.7	-71.3	174.3	178.3	157.1	4.7	111.7	L445 T487 M488 N494 K495 Q496 P497 Y498	L445-R491 PolarHBondContact O-NH1 2.83Å; L445-R491 PolarHBondContact O-NH2 2.95Å; L445-R491 VanDerWaalsContact O-NH2 3.16Å; T487-R491 WeakPolarHBondContact O-CG 3.32Å; T487-R491 PolarHBondContact O-N 3.05Å; M488-R491 PolarHBondContact O-N 3.48Å; R491-N494 CarbonylContact O-C 3.52Å; R491-N494 PolarHBondContact O-N 3.4Å; R491-K495 PolarHBondContact O-N 3.05Å; R491-K495 VanDerWaalsContact O-N 3.08Å; R491-Q496 HydrophobicContact CB-CB 4.11Å; R491-Q496 HydrophobicContact CG-CB 4.16Å; R491-Q496 PolarHBondContact O-N 2.99Å; R491-P497 WeakPolarHBondContact CD-O 3.13Å; R491-Y498 HydrophobicContact CB-CD1 4.16Å; R491-Y498 HydrophobicContact CB-CE1 4.39Å; R491-Y498 PolarHBondContact NH1-OXT 3.03Å
492	F	98.9	Very high	98.6	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-57.3	174.9	169	-106.1	0	0	0	111.7	F191 T193 L220 A221 Q409 L411 M488 F489 S490 N494 K495 Y498	F191-F492 HydrophobicContact CB-CE1 4.35Å; F191-F492 HydrophobicContact CD1-CD1 4.41Å; F191-F492 AromaticContact CD1-CE1 3.39Å; F191-F492 HydrophobicContact CD1-CE1 3.39Å; F191-F492 AromaticContact CD1-CZ 3.48Å; F191-F492 HydrophobicContact CD1-CZ 3.48Å; F191-F492 VanDerWaalsContact CD1-CZ 3.48Å; F191-F492 AromaticContact CE1-CE1 3.89Å; F191-F492 HydrophobicContact CE1-CE1 3.89Å; F191-F492 AromaticContact CE1-CZ 3.89Å; F191-F492 HydrophobicContact CE1-CZ 3.89Å; F191-F492 HydrophobicContact CG-CE1 4.1Å; T193-F492 HydrophobicContact CG2-CE1 4.48Å; L220-F492 WeakPolarHBondContact O-CZ 3.12Å; A221-F492 HydrophobicContact CB-CD1 4.32Å; A221-F492 HydrophobicContact CB-CE1 3.92Å; A221-F492 HydrophobicContact CB-CE2 4.21Å; A221-F492 HydrophobicContact CB-CZ 3.85Å; Q409-F492 HydrophobicContact CB-CE2 4.36Å; Q409-F492 HydrophobicContact CG-CD2 4.07Å; Q409-F492 HydrophobicContact CG-CE2 3.9Å; Q409-F492 PolarHBondContact NE2-O 3.21Å; Q409-F492 PolarHBondContact OE1-O 2.97Å; L411-F492 HydrophobicContact CB-CD2 3.82Å; L411-F492 HydrophobicContact CB-CE2 3.95Å; L411-F492 HydrophobicContact CD2-CB 4.19Å; L411-F492 HydrophobicContact CD2-CD2 4.18Å; L411-F492 HydrophobicContact CD2-CG 4.29Å; M488-F492 WeakPolarHBondContact O-CB 3.47Å; M488-F492 PolarHBondContact O-N 2.8Å; F489-F492 WeakPolarHBondContact O-CB 3.03Å; F489-F492 PolarHBondContact O-N 2.95Å; S490-F492 VanDerWaalsContact C-N 3.34Å; S490-F492 PolarHBondContact O-N 3.43Å; F492-N494 PolarHBondContact O-N 3Å; F492-K495 PolarHBondContact O-N 3Å; F492-K495 VanDerWaalsContact O-N 3.13Å; F492-Y498 HydrophobicContact CB-CE1 4.14Å; F492-Y498 WeakPolarHBondContact CD2-OH 3.34Å
493	L	98.8	Very high	98.5	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-34.7	-179.1	-69.6	-172.6	0	0	0	113.1	P95 V97 I138 A139 F191 F489 S490 K495	P95-L493 HydrophobicContact CB-CD2 4.5Å; P95-L493 HydrophobicContact CG-CD1 4.37Å; V97-L493 HydrophobicContact CG2-CD1 4.39Å; V97-L493 HydrophobicContact CG2-CD2 4.1Å; I138-L493 HydrophobicContact CD1-CD1 4.19Å; I138-L493 HydrophobicContact CG1-CD1 4.31Å; A139-L493 HydrophobicContact CB-CD1 3.99Å; F191-L493 HydrophobicContact CB-CD2 4.31Å; F191-L493 HydrophobicContact CD1-CD2 4.05Å; F191-L493 HydrophobicContact CD2-CD2 3.46Å; F191-L493 VanDerWaalsContact CD2-CD2 3.46Å; F191-L493 HydrophobicContact CE1-CD2 4.17Å; F191-L493 HydrophobicContact CE2-CD2 3.61Å; F191-L493 HydrophobicContact CG-CD2 3.68Å; F191-L493 HydrophobicContact CZ-CD2 3.96Å; F489-L493 HydrophobicContact CD1-CD1 4.2Å; F489-L493 HydrophobicContact CD2-CD1 4.5Å; F489-L493 HydrophobicContact CD2-CG 4.32Å; F489-L493 HydrophobicContact CE1-CD1 3.5Å; F489-L493 VanDerWaalsContact CE1-CD1 3.5Å; F489-L493 HydrophobicContact CE1-CG 4.29Å; F489-L493 HydrophobicContact CE2-CD1 3.86Å; F489-L493 HydrophobicContact CE2-CD2 4.16Å; F489-L493 HydrophobicContact CE2-CG 3.94Å; F489-L493 HydrophobicContact CZ-CD1 3.33Å; F489-L493 HydrophobicContact CZ-CD2 4.39Å; F489-L493 HydrophobicContact CZ-CG 3.96Å; F489-L493 PolarHBondContact O-N 3.18Å; S490-L493 PolarHBondContact O-N 3.28Å; L493-K495 VanDerWaalsContact C-N 3.35Å
494	N	98.5	Very high	98.5	Very high	93 Å²	93	37.6 Å²	37.6	50%	0.497	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.1	-178.4	-70.1	-65.4	0	0	0	114.3	S490 R491 F492 Q496	S490-N494 VanDerWaalsContact O-CB 3.31Å; S490-N494 WeakPolarHBondContact O-CB 3.43Å; S490-N494 PolarHBondContact O-N 3.18Å; S490-N494 PolarHBondContact O-ND2 3.39Å; R491-N494 CarbonylContact O-C 3.52Å; R491-N494 PolarHBondContact O-N 3.4Å; F492-N494 PolarHBondContact O-N 3Å; N494-Q496 HydrophobicContact CB-CG 3.88Å; N494-Q496 PolarHBondContact O-N 2.93Å
495	K	98.1	Very high	98.5	Very high	108 Å²	108	40.2 Å²	40.2	47%	0.47	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	33.9	-175.8	-70.3	168	-171.7	-56.6	0	112.4	Q409 R491 F492 L493	Q409-K495 VanDerWaalsContact OE1-NZ 3.16Å; R491-K495 PolarHBondContact O-N 3.05Å; R491-K495 VanDerWaalsContact O-N 3.08Å; F492-K495 PolarHBondContact O-N 3Å; F492-K495 VanDerWaalsContact O-N 3.13Å; L493-K495 VanDerWaalsContact C-N 3.35Å
496	Q	98.2	Very high	98.5	Very high	98 Å²	98	43.3 Å²	43.3	46%	0.458	22%	0.221	S	C	.	.			trans	-91.4	148.3	177.5	-67	178.4	-11.9	0	0	110.5	R491 N494	R491-Q496 HydrophobicContact CB-CB 4.11Å; R491-Q496 HydrophobicContact CG-CB 4.16Å; R491-Q496 PolarHBondContact O-N 2.99Å; N494-Q496 HydrophobicContact CB-CG 3.88Å; N494-Q496 PolarHBondContact O-N 2.93Å
497	P	97.2	Very high	98.4	Very high	95 Å²	95	43.8 Å²	43.8	62%	0.617	23%	0.225	S	C	*	.			trans	-57.3	141.9	170	-22.2	33.2	0	0	0	111.3	R491	R491-P497 WeakPolarHBondContact CD-O 3.13Å
498	Y	96.9	Very high	98.4	Very high	15 Å²	15	45.5 Å²	45.5	6%	0.059	23%	0.232	C	C	.	.			trans	-72.3	0	178.9	-58.5	-77.9	0	0	0	113.4	L411 R442 W444 V459 E461 A466 L468 M488 R491 F492	L411-Y498 HydrophobicContact CD1-CE1 4.33Å; L411-Y498 HydrophobicContact CD1-CE2 4.29Å; L411-Y498 HydrophobicContact CD2-CE1 4.05Å; R442-Y498 VanDerWaalsContact CZ-O 3.29Å; R442-Y498 PolarHBondContact NH1-O 2.72Å; R442-Y498 PolarHBondContact NH2-O 3.05Å; W444-Y498 WeakPolarHBondContact CB-OXT 3.37Å; V459-Y498 HydrophobicContact CG2-CD2 3.88Å; V459-Y498 HydrophobicContact CG2-CG 4.32Å; E461-Y498 WeakPolarHBondContact OE1-CD2 3.3Å; A466-Y498 HydrophobicContact CB-CD2 4.25Å; A466-Y498 HydrophobicContact CB-CE2 3.66Å; L468-Y498 HydrophobicContact CD1-CD1 3.73Å; L468-Y498 HydrophobicContact CD1-CD2 4.12Å; L468-Y498 HydrophobicContact CD1-CE1 4.49Å; L468-Y498 HydrophobicContact CD1-CG 3.51Å; M488-Y498 HydrophobicContact CG-CD1 4.37Å; M488-Y498 HydrophobicContact CG-CE1 4.27Å; R491-Y498 HydrophobicContact CB-CD1 4.16Å; R491-Y498 HydrophobicContact CB-CE1 4.39Å; R491-Y498 PolarHBondContact NH1-OXT 3.03Å; F492-Y498 HydrophobicContact CB-CE1 4.14Å; F492-Y498 WeakPolarHBondContact CD2-OH 3.34Å

Retrieved 498 of 498 residues in 602.2 ms (Link to these results)

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