A0A087YMD2_POEFO Loading...

Kelch-like protein 17

Substrate-recognition component of some cullin-RING-based BCR (BTB-CUL3-RBX1) E3 ubiquitin-protein ligase complexes. The BCR(KLHL17) complex mediates the ubiquitination and subsequent degradation of GLUR6. May play a role in the actin-based neuronal function.

AlphaFold DB , UniProt , Accession A0A087YMD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 644 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	L	33.9	Very low	29.7	Very low	222 Å²	222	167.6 Å²	167.6	100%	1.162	88%	0.884	S	S	*	*				0	120.6	0	-99.6	148.4	0	0	0	108.8
2	K	30.6	Very low	29.4	Very low	196 Å²	196	163.5 Å²	163.5	85%	0.852	88%	0.88	S	S	*	*			trans	71.3	90.4	167.9	-66.2	-174.3	177.9	179.1	0	119.4
3	T	30.9	Very low	29.4	Very low	137 Å²	137	161.5 Å²	161.5	84%	0.84	88%	0.876	S	S	*	*			trans	-42.4	137.7	140.9	41.1	0	0	0	0	114.7
4	Q	33	Very low	29.4	Very low	198 Å²	198	166.2 Å²	166.2	93%	0.925	88%	0.875	S	S	*	*			trans	-136	122.6	148.3	-81.7	-167	-14.7	0	0	109.4
5	G	27.9	Very low	29.5	Very low	79 Å²	79	163.5 Å²	163.5	81%	0.814	87%	0.87	S	S	*	*			trans	-90.2	148.5	178.7	0	0	0	0	0	112.2
6	I	31.7	Very low	29.5	Very low	162 Å²	162	164.6 Å²	164.6	83%	0.831	87%	0.865	S	S	*	*			trans	-111.7	113.2	169.7	-66.9	169.5	0	0	0	107
7	K	27.9	Very low	29.5	Very low	206 Å²	206	165.5 Å²	165.5	90%	0.896	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-88.1	126.1	168.8	-93.4	177.3	171.7	176.6	0	108.2
8	L	26.9	Very low	29.6	Very low	171 Å²	171	167.1 Å²	167.1	90%	0.895	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-99.8	121.3	164.5	-86.6	156	0	0	0	109.1
9	Q	27.1	Very low	29.5	Very low	188 Å²	188	164.9 Å²	164.9	88%	0.879	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-86.7	139.7	176.1	-101.7	168.9	-35.8	0	0	110.4
10	L	28.1	Very low	29.5	Very low	172 Å²	172	163.6 Å²	163.6	90%	0.901	86%	0.859	S	S	*	*			trans	-130.7	155.1	160.8	-81.9	171.7	0	0	0	109.8
11	P	29.1	Very low	29.7	Very low	113 Å²	113	162.4 Å²	162.4	73%	0.734	86%	0.859	S	S	*	*			trans	-91.2	154	-145.2	34.7	-35.6	0	0	0	115.3
12	S	26.1	Very low	29.3	Very low	118 Å²	118	156.9 Å²	156.9	83%	0.825	85%	0.845	S	S	*	*			trans	-80.1	129	177.5	63.1	0	0	0	0	112.8
13	V	29.4	Very low	29.3	Very low	137 Å²	137	152 Å²	152	83%	0.83	84%	0.841	S	S	*	*			trans	-118.7	123.4	163.9	179.7	0	0	0	0	108.7
14	R	29.4	Very low	29.4	Very low	228 Å²	228	151.8 Å²	151.8	86%	0.86	84%	0.842	S	S	*	*			trans	-78.1	153.5	176.7	-70	178	178	179.2	-1	111.2
15	P	29.9	Very low	29.1	Very low	125 Å²	125	145.6 Å²	145.6	81%	0.812	83%	0.832	S	S	*	*			trans	-118	139.1	142.4	24.2	-7.8	0	0	0	112.2
16	K	29.7	Very low	29.6	Very low	182 Å²	182	150 Å²	150	79%	0.791	84%	0.835	S	S	*	*			trans	-84.3	131.9	166.5	-75.1	174.9	173	176.1	0	108.7
17	H	29.4	Very low	29.3	Very low	179 Å²	179	150.7 Å²	150.7	83%	0.829	84%	0.837	S	S	*	*				167.8	132.8	116.1	-98.5	-74.4	0	0	0	110.8
18	K	31.5	Very low	29.5	Very low	195 Å²	195	149.9 Å²	149.9	85%	0.848	84%	0.839	S	S	*	*			trans	-66.2	159.6	172.4	-73	177.2	172.3	-179.6	0	111
19	P	29	Very low	29.7	Very low	125 Å²	125	151.2 Å²	151.2	81%	0.812	84%	0.84	S	S	*	*				-136.6	173	114.8	24.7	-4.7	0	0	0	114.9
20	T	27.7	Very low	29.8	Very low	138 Å²	138	146 Å²	146	85%	0.847	84%	0.837	S	S	*	*			trans	-73.3	160.6	-164.7	33.6	0	0	0	0	116.9
21	T	34	Very low	30	Very low	140 Å²	140	141.2 Å²	141.2	86%	0.859	83%	0.829	S	S	*	*			trans	-57.8	137.6	172.6	46.7	0	0	0	0	115.3
22	A	26.9	Very low	30.3	Very low	105 Å²	105	145.3 Å²	145.3	87%	0.868	84%	0.841	S	S	*	*			trans	-162	145.5	148.3	0	0	0	0	0	111.4
23	A	29.3	Very low	31.1	Very low	93 Å²	93	146 Å²	146	77%	0.769	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.3	173.8	-175.3	0	0	0	0	0	113.6
24	P	34	Very low	31.6	Very low	133 Å²	133	148.2 Å²	148.2	86%	0.864	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-83.5	125.1	-163.1	32.5	-29.9	0	0	0	112.7
25	G	25.3	Very low	31.9	Very low	69 Å²	69	144.8 Å²	144.8	71%	0.711	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-103.8	125.4	167.4	0	0	0	0	0	110.5	M27	G25-M27 PolarHBondContact O-N 3.38Å
26	I	38.7	Very low	32.3	Very low	170 Å²	170	146.6 Å²	146.6	87%	0.872	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-59.3	121.7	169.2	-64.2	163.2	0	0	0	108.3
27	M	26.3	Very low	33.2	Very low	178 Å²	178	149.3 Å²	149.3	88%	0.877	84%	0.844	S	S	*	*			trans	-126.9	114.6	163.9	-71.6	-160.5	-155.6	0	0	109.9	G25	G25-M27 PolarHBondContact O-N 3.38Å
28	M	30.9	Very low	34.1	Very low	189 Å²	189	148.4 Å²	148.4	93%	0.931	85%	0.845	S	S	*	*			trans	-66.4	122.4	162.7	-80.1	-179	164.2	0	0	109
29	E	30.9	Very low	34.8	Very low	198 Å²	198	142.1 Å²	142.1	93%	0.925	84%	0.836	S	S	*	*			trans	-85.4	111.9	167.2	-87.8	-176.5	152.6	0	0	110.1
30	G	29.9	Very low	36.1	Very low	78 Å²	78	145.9 Å²	145.9	80%	0.804	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-74.4	130	175.2	0	0	0	0	0	112.3
31	G	32.3	Very low	37.3	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-75.6	131.2	168.5	0	0	0	0	0	111.4	Q33	G31-Q33 PolarHBondContact O-N 3.27Å
32	M	35.8	Very low	38.8	Very low	199 Å²	199	144.8 Å²	144.8	98%	0.98	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-72.1	118.7	176.3	-133.7	156.4	68.9	0	0	110.1
33	Q	42.5	Very low	40.5	Very low	133 Å²	133	145.4 Å²	145.4	62%	0.621	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-90.9	128.1	179.6	-75.7	174.5	-14.4	0	0	111	G31	G31-Q33 PolarHBondContact O-N 3.27Å
34	L	39.1	Very low	42.8	Very low	183 Å²	183	149 Å²	149	96%	0.958	83%	0.831	S	S	*	*			trans	-91.2	109.1	161.3	-85.9	156.1	0	0	0	107.8
35	L	37.7	Very low	44.7	Very low	155 Å²	155	147.7 Å²	147.7	81%	0.812	82%	0.817	S	S	*	*			trans	-84.5	112.5	176.1	-80.4	153.9	0	0	0	109.7
36	N	37.6	Very low	47.1	Very low	164 Å²	164	146.7 Å²	146.7	88%	0.877	80%	0.799	S	S	*	*			trans	-91	126.6	157.8	-103.2	-7	0	0	0	108.6	D38	N36-D38 PolarHBondContact O-N 3.25Å
37	R	49.2	Very low	48.8	Very low	239 Å²	239	147.4 Å²	147.4	90%	0.902	80%	0.796	S	S	*	*	S	Bend	trans	-75.8	103.2	174.8	-105.1	178	159.8	179.7	-6	108.8
38	D	46.6	Very low	51.3	Low	159 Å²	159	147.8 Å²	147.8	85%	0.85	79%	0.788	S	S	*	*	S	Bend	trans	175.1	112.9	132.3	-81.2	-22.7	0	0	0	108.7	N36	N36-D38 PolarHBondContact O-N 3.25Å
39	G	47.4	Very low	53.8	Low	64 Å²	64	144.2 Å²	144.2	66%	0.66	77%	0.768	S	S	*	*	S	Bend	trans	75.4	85.1	164.8	0	0	0	0	0	119.1	S41	G39-S41 PolarHBondContact O-N 3.39Å
40	H	56.3	Low	56.2	Low	204 Å²	204	140.8 Å²	140.8	94%	0.944	75%	0.748	S	S	*	*			trans	33.5	63.7	147.8	-56.9	79.2	0	0	0	120.2
41	S	52.2	Low	58.7	Low	113 Å²	113	142.6 Å²	142.6	79%	0.79	74%	0.735	S	S	*	*			trans	-140.4	128.3	155.3	58.4	0	0	0	0	111.3	G39	G39-S41 PolarHBondContact O-N 3.39Å
42	I	64.9	Low	61.1	Low	142 Å²	142	143.6 Å²	143.6	73%	0.728	72%	0.723	S	S	*	*			trans	-104	110	170.7	-61.3	172.6	0	0	0	106.3	H44	I42-H44 PolarHBondContact O-N 3.41Å
43	S	63	Low	63.5	Low	117 Å²	117	135.9 Å²	135.9	82%	0.818	69%	0.689	S	S	*	*			trans	-83.2	106.3	175.1	62.4	0	0	0	0	110.2
44	H	77.9	Confident	65.6	Low	168 Å²	168	133 Å²	133	78%	0.778	68%	0.675	S	S	*	*			trans	-87.7	116.8	169.5	178.4	79	0	0	0	110	I42	I42-H44 PolarHBondContact O-N 3.41Å
45	N	73.9	Confident	67.8	Low	107 Å²	107	126.9 Å²	126.9	57%	0.572	65%	0.645	S	S	*	*			trans	-116.9	99.4	175.4	-172.9	-20.3	0	0	0	109.8	K47 Y50	N45-K47 PolarHBondContact O-N 3.42Å; N45-Y50 PolarHBondContact OD1-OH 2.91Å
46	S	76.9	Confident	70.1	Confident	47 Å²	47	122 Å²	122	33%	0.329	62%	0.623	S	S	.	*			trans	-79.8	102.8	172	176.4	0	0	0	0	109.6	R48 H49 Y50	S46-R48 PolarHBondContact O-N 3.29Å; S46-R48 VanDerWaalsContact O-N 3.11Å; S46-H49 WeakPolarHBondContact O-CB 3.46Å; S46-H49 PolarHBondContact O-N 2.82Å; S46-H49 VanDerWaalsContact O-N 3.09Å; S46-H49 PolarHBondContact OG-N 3.11Å; S46-Y50 WeakPolarHBondContact O-CE2 3.38Å
47	K	73.8	Confident	72.5	Confident	185 Å²	185	116.7 Å²	116.7	80%	0.804	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-23.8	178.4	-66.7	-175.4	-179.7	179.6	0	113.5	N45 Y50	N45-K47 PolarHBondContact O-N 3.42Å; K47-Y50 WeakPolarHBondContact O-CD2 3.27Å
48	R	79	Confident	74.3	Confident	187 Å²	187	106 Å²	106	71%	0.706	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-18.1	178.7	-74.6	-172.2	-179.1	173.3	2.1	114.2	S46 Y50 H51 D52	S46-R48 PolarHBondContact O-N 3.29Å; S46-R48 VanDerWaalsContact O-N 3.11Å; R48-Y50 VanDerWaalsContact C-N 3.25Å; R48-Y50 PolarHBondContact O-N 3.11Å; R48-H51 PolarHBondContact O-N 3.04Å; R48-D52 PolarHBondContact O-N 2.7Å
49	H	83.1	Confident	76.3	Confident	113 Å²	113	106 Å²	106	52%	0.523	54%	0.543	S	S	.	.	H	α-helix	trans	-54.1	-42.6	-177.1	179.1	-84.2	0	0	0	112.6	S46 S53	S46-H49 WeakPolarHBondContact O-CB 3.46Å; S46-H49 PolarHBondContact O-N 2.82Å; S46-H49 VanDerWaalsContact O-N 3.09Å; S46-H49 PolarHBondContact OG-N 3.11Å; H49-S53 VanDerWaalsContact O-CB 3.27Å; H49-S53 WeakPolarHBondContact O-CB 3.36Å; H49-S53 PolarHBondContact O-N 3.09Å; H49-S53 PolarHBondContact O-OG 3.27Å
50	Y	81	Confident	78.2	Confident	126 Å²	126	106.2 Å²	106.2	49%	0.494	53%	0.527	S	S	.	.	H	α-helix	trans	-64	-46.5	178.4	-34.8	-74.1	0	0	0	111.3	N45 S46 K47 R48 S53 F54	N45-Y50 PolarHBondContact OD1-OH 2.91Å; S46-Y50 WeakPolarHBondContact O-CE2 3.38Å; K47-Y50 WeakPolarHBondContact O-CD2 3.27Å; R48-Y50 VanDerWaalsContact C-N 3.25Å; R48-Y50 PolarHBondContact O-N 3.11Å; Y50-S53 PolarHBondContact O-N 3.18Å; Y50-F54 VanDerWaalsContact O-CD2 3.27Å; Y50-F54 WeakPolarHBondContact O-CD2 3.47Å; Y50-F54 PolarHBondContact O-N 3.3Å; Y50-F54 VanDerWaalsContact O-N 3.07Å
51	H	82.4	Confident	79.7	Confident	117 Å²	117	97.7 Å²	97.7	54%	0.542	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-50.9	178.7	-178.2	79.5	0	0	0	111.6	R48 S53 F54 V55	R48-H51 PolarHBondContact O-N 3.04Å; H51-S53 VanDerWaalsContact C-N 3.25Å; H51-S53 PolarHBondContact O-N 3.07Å; H51-F54 PolarHBondContact O-N 3.38Å; H51-V55 WeakPolarHBondContact O-CG2 3.47Å; H51-V55 PolarHBondContact O-N 3.19Å
52	D	82.9	Confident	81.4	Confident	93 Å²	93	98.7 Å²	98.7	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-34.4	-179.3	-64.5	-27	0	0	0	111.8	R48 S56	R48-D52 PolarHBondContact O-N 2.7Å; D52-S56 WeakPolarHBondContact O-CB 3.43Å; D52-S56 PolarHBondContact O-N 3.01Å
53	S	85.5	Confident	82.4	Confident	38 Å²	38	101.3 Å²	101.3	27%	0.266	48%	0.48	S	S	.	.	H	α-helix	trans	-64.9	-46.7	174.6	-61.6	0	0	0	0	112.1	H49 Y50 H51 S56 M57	H49-S53 VanDerWaalsContact O-CB 3.27Å; H49-S53 WeakPolarHBondContact O-CB 3.36Å; H49-S53 PolarHBondContact O-N 3.09Å; H49-S53 PolarHBondContact O-OG 3.27Å; Y50-S53 PolarHBondContact O-N 3.18Å; H51-S53 VanDerWaalsContact C-N 3.25Å; H51-S53 PolarHBondContact O-N 3.07Å; S53-S56 WeakPolarHBondContact O-CB 3.34Å; S53-S56 PolarHBondContact O-N 3.27Å; S53-M57 WeakPolarHBondContact O-CG 3.27Å; S53-M57 PolarHBondContact O-N 2.89Å
54	F	87.3	Confident	83.4	Confident	72 Å²	72	97.4 Å²	97.4	32%	0.316	46%	0.458	S	S	.	.	H	α-helix	trans	-66.8	-35.9	176.9	-84.8	-75.6	0	0	0	112.8	Y50 H51 M57 N58 V84	Y50-F54 VanDerWaalsContact O-CD2 3.27Å; Y50-F54 WeakPolarHBondContact O-CD2 3.47Å; Y50-F54 PolarHBondContact O-N 3.3Å; Y50-F54 VanDerWaalsContact O-N 3.07Å; H51-F54 PolarHBondContact O-N 3.38Å; F54-M57 HydrophobicContact CD1-CE 3.85Å; F54-M57 HydrophobicContact CD2-CE 4.32Å; F54-M57 HydrophobicContact CE1-CE 4.04Å; F54-M57 HydrophobicContact CE2-CE 4.47Å; F54-M57 HydrophobicContact CG-CE 3.99Å; F54-M57 HydrophobicContact CZ-CE 4.34Å; F54-M57 PolarHBondContact O-N 3.25Å; F54-N58 PolarHBondContact O-N 2.96Å; F54-V84 HydrophobicContact CE1-CG1 4.16Å; F54-V84 HydrophobicContact CE1-CG2 4.34Å
55	V	86	Confident	83.6	Confident	54 Å²	54	93.8 Å²	93.8	33%	0.327	44%	0.444	S	S	.	.	H	α-helix	trans	-62	-43.5	171.9	171.7	0	0	0	0	111	H51 N58 R59	H51-V55 WeakPolarHBondContact O-CG2 3.47Å; H51-V55 PolarHBondContact O-N 3.19Å; V55-N58 PolarHBondContact O-N 2.95Å; V55-R59 PolarHBondContact O-N 3.44Å; V55-R59 VanDerWaalsContact O-N 3.13Å
56	S	84.8	Confident	84	Confident	52 Å²	52	95.3 Å²	95.3	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-63.1	-45.9	175.2	-169.2	0	0	0	0	111.9	D52 S53 N58 R59 M60	D52-S56 WeakPolarHBondContact O-CB 3.43Å; D52-S56 PolarHBondContact O-N 3.01Å; S53-S56 WeakPolarHBondContact O-CB 3.34Å; S53-S56 PolarHBondContact O-N 3.27Å; S56-N58 VanDerWaalsContact C-N 3.3Å; S56-N58 PolarHBondContact O-N 3.35Å; S56-R59 WeakPolarHBondContact O-CB 3.48Å; S56-R59 PolarHBondContact O-N 2.95Å; S56-R59 VanDerWaalsContact O-N 3.13Å; S56-M60 WeakPolarHBondContact O-CG 3.46Å; S56-M60 PolarHBondContact O-N 3.09Å
57	M	88.3	Confident	84.4	Confident	53 Å²	53	94.7 Å²	94.7	26%	0.261	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-36.6	175.5	-73.5	-173.9	-92.6	0	0	112.5	S53 F54 M60 R61 V84 Y150	S53-M57 WeakPolarHBondContact O-CG 3.27Å; S53-M57 PolarHBondContact O-N 2.89Å; F54-M57 HydrophobicContact CD1-CE 3.85Å; F54-M57 HydrophobicContact CD2-CE 4.32Å; F54-M57 HydrophobicContact CE1-CE 4.04Å; F54-M57 HydrophobicContact CE2-CE 4.47Å; F54-M57 HydrophobicContact CG-CE 3.99Å; F54-M57 HydrophobicContact CZ-CE 4.34Å; F54-M57 PolarHBondContact O-N 3.25Å; M57-M60 PolarHBondContact O-N 3.13Å; M57-R61 PolarHBondContact O-N 3.13Å; M57-V84 HydrophobicContact SD-CG2 3.96Å; M57-Y150 HydrophobicContact CB-CD1 4.19Å; M57-Y150 HydrophobicContact CB-CE1 4.21Å
58	N	87.9	Confident	85	Confident	16 Å²	16	89.1 Å²	89.1	9%	0.086	43%	0.426	C	S	.	.	H	α-helix	trans	-65.8	-41.1	174.8	-161.5	18.5	0	0	0	112	F54 V55 S56 M60 R61 Q62 Q147 Y150	F54-N58 PolarHBondContact O-N 2.96Å; V55-N58 PolarHBondContact O-N 2.95Å; S56-N58 VanDerWaalsContact C-N 3.3Å; S56-N58 PolarHBondContact O-N 3.35Å; N58-M60 VanDerWaalsContact C-N 3.33Å; N58-M60 PolarHBondContact O-N 3.49Å; N58-R61 WeakPolarHBondContact O-CB 3.17Å; N58-R61 PolarHBondContact O-N 3.21Å; N58-R61 PolarHBondContact OD1-NE 2.98Å; N58-R61 PolarHBondContact OD1-NH2 3.36Å; N58-Q62 WeakPolarHBondContact O-CG 3.46Å; N58-Q62 PolarHBondContact O-N 3.29Å; N58-Q147 PolarHBondContact ND2-NE2 3.36Å; N58-Y150 HydrophobicContact CB-CD1 4.11Å; N58-Y150 HydrophobicContact CB-CG 4.25Å
59	R	87.4	Confident	85.3	Confident	158 Å²	158	80.3 Å²	80.3	60%	0.596	39%	0.393	S	S	*	.	H	α-helix	trans	-63.5	-38.8	174.6	-71.5	-178.5	-171.8	168	4.1	111.8	V55 S56 Q62 R63	V55-R59 PolarHBondContact O-N 3.44Å; V55-R59 VanDerWaalsContact O-N 3.13Å; S56-R59 WeakPolarHBondContact O-CB 3.48Å; S56-R59 PolarHBondContact O-N 2.95Å; S56-R59 VanDerWaalsContact O-N 3.13Å; R59-Q62 PolarHBondContact O-N 3.09Å; R59-R63 WeakPolarHBondContact O-CG 3.45Å; R59-R63 PolarHBondContact O-N 3.11Å
60	M	87.4	Confident	85.4	Confident	68 Å²	68	75.9 Å²	75.9	34%	0.335	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-45.8	174.5	-68.9	176.7	-176.5	0	0	110.9	S56 M57 N58 Q62 R63 G64 L65 L66	S56-M60 WeakPolarHBondContact O-CG 3.46Å; S56-M60 PolarHBondContact O-N 3.09Å; M57-M60 PolarHBondContact O-N 3.13Å; N58-M60 VanDerWaalsContact C-N 3.33Å; N58-M60 PolarHBondContact O-N 3.49Å; M60-Q62 PolarHBondContact O-N 3.49Å; M60-R63 CarbonylContact O-C 3.51Å; M60-R63 PolarHBondContact O-N 3.26Å; M60-R63 VanDerWaalsContact O-N 3.11Å; M60-G64 PolarHBondContact O-N 3.39Å; M60-G64 VanDerWaalsContact O-N 3.09Å; M60-L65 HydrophobicContact CB-CB 4.28Å; M60-L65 PolarHBondContact O-N 2.92Å; M60-L66 HydrophobicContact SD-CD1 4.19Å
61	R	89.3	Confident	85.6	Confident	26 Å²	26	69.9 Å²	69.9	10%	0.098	35%	0.35	C	S	.	.	H	α-helix	trans	-57	-48.6	175.7	-175.6	-173.3	65.9	116.8	1.3	112.4	M57 N58 R63 G64 K79 Y150	M57-R61 PolarHBondContact O-N 3.13Å; N58-R61 WeakPolarHBondContact O-CB 3.17Å; N58-R61 PolarHBondContact O-N 3.21Å; N58-R61 PolarHBondContact OD1-NE 2.98Å; N58-R61 PolarHBondContact OD1-NH2 3.36Å; R61-R63 PolarHBondContact O-N 3.32Å; R61-G64 PolarHBondContact O-N 2.7Å; R61-K79 VanDerWaalsContact CD-O 3.3Å; R61-K79 WeakPolarHBondContact CD-O 3.46Å; R61-K79 WeakPolarHBondContact CG-O 3.49Å; R61-Y150 HydrophobicContact CB-CE1 4.37Å
62	Q	86.8	Confident	85.6	Confident	134 Å²	134	66.5 Å²	66.5	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-60.5	-27.6	179.3	-73.4	177.6	-9.5	0	0	113	N58 R59 M60	N58-Q62 WeakPolarHBondContact O-CG 3.46Å; N58-Q62 PolarHBondContact O-N 3.29Å; R59-Q62 PolarHBondContact O-N 3.09Å; M60-Q62 PolarHBondContact O-N 3.49Å
63	R	87.1	Confident	85.6	Confident	196 Å²	196	62.1 Å²	62.1	74%	0.74	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.4	175.1	-65.4	178.5	-178.6	-171.3	-0.7	113.4	R59 M60 R61 L65	R59-R63 WeakPolarHBondContact O-CG 3.45Å; R59-R63 PolarHBondContact O-N 3.11Å; M60-R63 CarbonylContact O-C 3.51Å; M60-R63 PolarHBondContact O-N 3.26Å; M60-R63 VanDerWaalsContact O-N 3.11Å; R61-R63 PolarHBondContact O-N 3.32Å; R63-L65 HydrophobicContact CB-CD1 3.93Å; R63-L65 HydrophobicContact CB-CG 3.95Å; R63-L65 PolarHBondContact O-N 3.34Å
64	G	83.6	Confident	85.2	Confident	35 Å²	35	65.1 Å²	65.1	36%	0.361	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	20.9	-175.8	0	0	0	0	0	114.3	M60 R61	M60-G64 PolarHBondContact O-N 3.39Å; M60-G64 VanDerWaalsContact O-N 3.09Å; R61-G64 PolarHBondContact O-N 2.7Å
65	L	80.9	Confident	84.9	Confident	93 Å²	93	70 Å²	70	49%	0.487	36%	0.361	S	S	.	.			trans	-87	132.8	-179.6	-64.4	170.9	0	0	0	109.7	M60 R63 C67 H81	M60-L65 HydrophobicContact CB-CB 4.28Å; M60-L65 PolarHBondContact O-N 2.92Å; R63-L65 HydrophobicContact CB-CD1 3.93Å; R63-L65 HydrophobicContact CB-CG 3.95Å; R63-L65 PolarHBondContact O-N 3.34Å; L65-C67 PolarHBondContact O-N 2.89Å; L65-C67 VanDerWaalsContact O-N 3.09Å; L65-H81 PolarHBondContact O-NE2 2.94Å
66	L	83.4	Confident	84.8	Confident	138 Å²	138	70.2 Å²	70.2	72%	0.723	36%	0.358	S	S	*	.	S	Bend	trans	60.4	10.7	178	-54.8	174.2	0	0	0	115.4	M60 D68 H81	M60-L66 HydrophobicContact SD-CD1 4.19Å; L66-D68 PolarHBondContact O-N 2.92Å; L66-H81 PolarHBondContact O-CD2 2.96Å
67	C	84.6	Confident	84.9	Confident	34 Å²	34	73.8 Å²	73.8	23%	0.23	37%	0.369	C	S	.	.			trans	-67.3	118.2	172.8	-61.3	0	0	0	0	110.3	L65 K79 A80	L65-C67 PolarHBondContact O-N 2.89Å; L65-C67 VanDerWaalsContact O-N 3.09Å; C67-K79 HydrophobicContact CB-CB 4.12Å; C67-A80 WeakPolarHBondContact CA-O 3.48Å; C67-A80 WeakPolarHBondContact CB-O 3.22Å
68	D	85.6	Confident	84.8	Confident	69 Å²	69	71.7 Å²	71.7	37%	0.369	36%	0.358	S	S	.	.			trans	-103.9	3.2	-178.2	58	-3.3	0	0	0	112.6	L66 A80 H81 K82	L66-D68 PolarHBondContact O-N 2.92Å; D68-A80 PolarHBondContact N-O 3.35Å; D68-H81 WeakPolarHBondContact OD1-CA 3.47Å; D68-K82 WeakPolarHBondContact O-CE 3.48Å; D68-K82 WeakPolarHBondContact OD1-CG 3.39Å; D68-K82 PolarHBondContact OD1-N 2.92Å; D68-K82 WeakPolarHBondContact OD2-CB 3.38Å
69	I	86	Confident	84.9	Confident	2 Å²	2	76 Å²	76	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	144.7	173.9	-169.8	167	0	0	0	113.1	L71 A80 K82 L85 F96 T130 V132	I69-L71 HydrophobicContact CD1-CD2 3.9Å; I69-L71 HydrophobicContact CG1-CD2 4.19Å; I69-A80 HydrophobicContact CG2-CB 4.06Å; I69-A80 VanDerWaalsContact CG2-O 3.31Å; I69-A80 WeakPolarHBondContact CG2-O 3.46Å; I69-A80 PolarHBondContact N-O 3.29Å; I69-A80 PolarHBondContact O-N 2.99Å; I69-K82 HydrophobicContact CB-CG 3.85Å; I69-K82 HydrophobicContact CD1-CG 4.33Å; I69-K82 HydrophobicContact CG2-CG 3.88Å; I69-L85 HydrophobicContact CG2-CD1 4.35Å; I69-F96 HydrophobicContact CD1-CE1 3.41Å; I69-F96 VanDerWaalsContact CD1-CE1 3.41Å; I69-F96 HydrophobicContact CD1-CE2 4.33Å; I69-F96 HydrophobicContact CD1-CZ 3.31Å; I69-T130 CarbonylContact C-O 3.53Å; I69-T130 WeakPolarHBondContact CA-O 3.21Å; I69-V132 HydrophobicContact CD1-CB 4.42Å; I69-V132 HydrophobicContact CD1-CG2 3.85Å; I69-V132 HydrophobicContact CG1-CG2 4.44Å
70	V	85.7	Confident	85.1	Confident	20 Å²	20	68.5 Å²	68.5	12%	0.121	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.1	169.5	-172.2	0	0	0	0	108.8	E77 I78 K79 T130 H131 V132	V70-E77 HydrophobicContact CG1-CB 4.09Å; V70-I78 WeakPolarHBondContact CA-O 3.15Å; V70-K79 HydrophobicContact CG2-CG 4.24Å; V70-T130 PolarHBondContact N-O 2.85Å; V70-H131 WeakPolarHBondContact O-CA 3.44Å; V70-V132 PolarHBondContact O-N 3.25Å
71	L	85.3	Confident	85.2	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.5	173.8	-56.5	177.5	0	0	0	109	I69 I78 L85 F92 V132 L134 L142 V146	I69-L71 HydrophobicContact CD1-CD2 3.9Å; I69-L71 HydrophobicContact CG1-CD2 4.19Å; L71-I78 HydrophobicContact CB-CB 4.37Å; L71-I78 PolarHBondContact N-O 3.24Å; L71-I78 PolarHBondContact O-N 3.33Å; L71-L85 HydrophobicContact CD1-CD1 4.06Å; L71-F92 HydrophobicContact CD1-CZ 4.18Å; L71-F92 HydrophobicContact CD2-CE1 4.41Å; L71-V132 CarbonylContact C-O 3.57Å; L71-V132 WeakPolarHBondContact CA-O 3.41Å; L71-V132 HydrophobicContact CD2-CB 4.04Å; L71-V132 HydrophobicContact CD2-CG1 4.28Å; L71-L134 HydrophobicContact CD1-CD1 4.43Å; L71-L134 HydrophobicContact CD2-CD1 4.35Å; L71-L142 HydrophobicContact CB-CD2 4.3Å; L71-L142 HydrophobicContact CD1-CD2 4.17Å; L71-V146 HydrophobicContact CD1-CG2 4.09Å
72	H	82.3	Confident	85.1	Confident	46 Å²	46	66.5 Å²	66.5	21%	0.213	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.9	175.2	-71	-77.4	0	0	0	109.4	E77 H131 V132 T133 L134	H72-E77 IonicContact CE1-OE1 3.26Å; H72-E77 PolarHBondContact CE1-OE1 2.99Å; H72-E77 VanDerWaalsContact CE1-OE1 3.26Å; H72-E77 IonicContact ND1-OE1 3.87Å; H72-H131 AromaticContact CD2-ND1 3.9Å; H72-H131 AromaticContact NE2-CG 3.87Å; H72-H131 AromaticContact NE2-ND1 3.14Å; H72-H131 PolarHBondContact NE2-ND1 3.41Å; H72-H131 VanDerWaalsContact NE2-ND1 3.14Å; H72-V132 PolarHBondContact N-O 3.06Å; H72-T133 HydrophobicContact CB-CG2 4.25Å; H72-T133 WeakPolarHBondContact O-CA 3.35Å; H72-L134 PolarHBondContact O-N 3.44Å
73	V	82	Confident	85.1	Confident	1 Å²	1	65 Å²	65	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	115.7	173.5	-178.8	0	0	0	0	109.7	N75 K76 L134 I137 P139 L142	V73-N75 PolarHBondContact O-N 3.29Å; V73-K76 PolarHBondContact N-O 3.41Å; V73-K76 PolarHBondContact O-N 3.18Å; V73-L134 HydrophobicContact CG2-CB 3.88Å; V73-I137 WeakPolarHBondContact CG1-O 3.44Å; V73-P139 HydrophobicContact CG1-CB 4.35Å; V73-P139 HydrophobicContact CG1-CG 4Å; V73-L142 HydrophobicContact CB-CD2 4.31Å; V73-L142 HydrophobicContact CG2-CD2 3.23Å
74	S	78.8	Confident	85.1	Confident	100 Å²	100	55.9 Å²	55.9	70%	0.699	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	-105.5	-171.7	-52	0	0	0	0	110.9
75	N	79.6	Confident	85.3	Confident	174 Å²	174	54.4 Å²	54.4	93%	0.93	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	11.7	-178.4	-63.2	-3.3	0	0	0	113.3	V73	V73-N75 PolarHBondContact O-N 3.29Å
76	K	83.3	Confident	85.5	Confident	60 Å²	60	50.8 Å²	50.8	26%	0.261	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	-173.4	-158.6	171.9	-177.5	178.4	0	110.9	V73 P139 E143	V73-K76 PolarHBondContact N-O 3.41Å; V73-K76 PolarHBondContact O-N 3.18Å; K76-P139 HydrophobicContact CB-CB 4.14Å; K76-P139 HydrophobicContact CD-CB 3.99Å; K76-E143 IonicContact NZ-OE1 2.72Å; K76-E143 IonicContact NZ-OE2 3.21Å; K76-E143 PolarHBondContact NZ-OE2 3.08Å
77	E	87.1	Confident	85.6	Confident	127 Å²	127	48.1 Å²	48.1	59%	0.593	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.1	175.4	-57.3	-168	165.6	0	0	110.5	V70 H72	V70-E77 HydrophobicContact CG1-CB 4.09Å; H72-E77 IonicContact CE1-OE1 3.26Å; H72-E77 PolarHBondContact CE1-OE1 2.99Å; H72-E77 VanDerWaalsContact CE1-OE1 3.26Å; H72-E77 IonicContact ND1-OE1 3.87Å
78	I	87.9	Confident	85.7	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	112.1	179.9	-58.5	168.8	0	0	0	109.2	V70 L71 L142 E143 V146	V70-I78 WeakPolarHBondContact CA-O 3.15Å; L71-I78 HydrophobicContact CB-CB 4.37Å; L71-I78 PolarHBondContact N-O 3.24Å; L71-I78 PolarHBondContact O-N 3.33Å; I78-L142 HydrophobicContact CD1-CB 4.27Å; I78-L142 HydrophobicContact CD1-CD2 3.96Å; I78-L142 HydrophobicContact CD1-CG 4.01Å; I78-E143 HydrophobicContact CD1-CB 4.04Å; I78-V146 HydrophobicContact CG2-CB 4.3Å; I78-V146 HydrophobicContact CG2-CG1 4.06Å; I78-V146 HydrophobicContact CG2-CG2 4.18Å
79	K	89.5	Confident	85.7	Confident	107 Å²	107	45.5 Å²	45.5	47%	0.465	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.7	175.8	-59.7	-176.5	178.7	178.1	0	110.8	R61 C67 V70	R61-K79 VanDerWaalsContact CD-O 3.3Å; R61-K79 WeakPolarHBondContact CD-O 3.46Å; R61-K79 WeakPolarHBondContact CG-O 3.49Å; C67-K79 HydrophobicContact CB-CB 4.12Å; V70-K79 HydrophobicContact CG2-CG 4.24Å
80	A	90.3	Very high	85.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	175.7	179	0	0	0	0	0	112.2	C67 D68 I69 L85 V146	C67-A80 WeakPolarHBondContact CA-O 3.48Å; C67-A80 WeakPolarHBondContact CB-O 3.22Å; D68-A80 PolarHBondContact N-O 3.35Å; I69-A80 HydrophobicContact CG2-CB 4.06Å; I69-A80 VanDerWaalsContact CG2-O 3.31Å; I69-A80 WeakPolarHBondContact CG2-O 3.46Å; I69-A80 PolarHBondContact N-O 3.29Å; I69-A80 PolarHBondContact O-N 2.99Å; A80-L85 HydrophobicContact CB-CD1 3.7Å; A80-L85 HydrophobicContact CB-CG 4.16Å; A80-V146 HydrophobicContact CB-CG1 4.28Å
81	H	90.7	Very high	85.4	Confident	16 Å²	16	48.7 Å²	48.7	7%	0.074	27%	0.27	C	S	.	.			trans	-103.7	126.5	171.5	-52.9	90.4	0	0	0	110	L65 L66 D68 V83 V84 L85 Y150	L65-H81 PolarHBondContact O-NE2 2.94Å; L66-H81 PolarHBondContact O-CD2 2.96Å; D68-H81 WeakPolarHBondContact OD1-CA 3.47Å; H81-V83 VanDerWaalsContact C-N 3.25Å; H81-V83 HydrophobicContact CB-CG1 4.32Å; H81-V83 PolarHBondContact O-N 2.88Å; H81-V84 HydrophobicContact CB-CB 4.37Å; H81-V84 HydrophobicContact CB-CG2 4.07Å; H81-V84 PolarHBondContact O-N 3.16Å; H81-L85 PolarHBondContact O-N 3.33Å; H81-Y150 WeakPolarHBondContact CB-OH 3.23Å; H81-Y150 PolarHBondContact N-OH 3.25Å; H81-Y150 AromaticContact ND1-CE1 3.58Å; H81-Y150 AromaticContact ND1-CZ 3.66Å; H81-Y150 PolarHBondContact ND1-OH 3.29Å
82	K	86.4	Confident	85.3	Confident	37 Å²	37	48.9 Å²	48.9	16%	0.161	27%	0.271	C	S	.	.	H	α-helix	trans	-55.2	-42.4	179	-72.1	-178.5	176.7	-173.6	0	111.2	D68 I69 V84 L85 A86 F96 S127 Q129	D68-K82 WeakPolarHBondContact O-CE 3.48Å; D68-K82 WeakPolarHBondContact OD1-CG 3.39Å; D68-K82 PolarHBondContact OD1-N 2.92Å; D68-K82 WeakPolarHBondContact OD2-CB 3.38Å; I69-K82 HydrophobicContact CB-CG 3.85Å; I69-K82 HydrophobicContact CD1-CG 4.33Å; I69-K82 HydrophobicContact CG2-CG 3.88Å; K82-V84 VanDerWaalsContact C-N 3.34Å; K82-V84 PolarHBondContact O-N 3.33Å; K82-L85 PolarHBondContact O-N 2.84Å; K82-A86 WeakPolarHBondContact O-CB 3.31Å; K82-A86 PolarHBondContact O-N 3.39Å; K82-F96 HydrophobicContact CB-CD2 3.87Å; K82-F96 HydrophobicContact CB-CE2 4.1Å; K82-F96 HydrophobicContact CB-CG 4.48Å; K82-F96 HydrophobicContact CG-CD2 4.1Å; K82-F96 HydrophobicContact CG-CE2 4.12Å; K82-F96 HydrophobicContact CG-CG 4.41Å; K82-F96 HydrophobicContact CG-CZ 4.44Å; K82-S127 PolarHBondContact NZ-O 2.85Å; K82-Q129 WeakPolarHBondContact CE-O 3.28Å; K82-Q129 PolarHBondContact NZ-O 3.32Å
83	V	86.4	Confident	85.2	Confident	103 Å²	103	50.2 Å²	50.2	62%	0.624	28%	0.277	S	S	*	.	H	α-helix	trans	-61.7	-40.3	-178.9	71.6	0	0	0	0	112.6	H81 S87	H81-V83 VanDerWaalsContact C-N 3.25Å; H81-V83 HydrophobicContact CB-CG1 4.32Å; H81-V83 PolarHBondContact O-N 2.88Å; V83-S87 VanDerWaalsContact O-CB 3.28Å; V83-S87 WeakPolarHBondContact O-CB 3.43Å; V83-S87 PolarHBondContact O-N 3.19Å; V83-S87 PolarHBondContact O-OG 3.18Å
84	V	87.7	Confident	84.8	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-47	-179.9	175.5	0	0	0	0	109.9	F54 M57 H81 K82 S87 C88 A149 Y150	F54-V84 HydrophobicContact CE1-CG1 4.16Å; F54-V84 HydrophobicContact CE1-CG2 4.34Å; M57-V84 HydrophobicContact SD-CG2 3.96Å; H81-V84 HydrophobicContact CB-CB 4.37Å; H81-V84 HydrophobicContact CB-CG2 4.07Å; H81-V84 PolarHBondContact O-N 3.16Å; K82-V84 VanDerWaalsContact C-N 3.34Å; K82-V84 PolarHBondContact O-N 3.33Å; V84-S87 PolarHBondContact O-N 3.19Å; V84-S87 PolarHBondContact O-OG 2.8Å; V84-C88 PolarHBondContact O-N 2.72Å; V84-A149 HydrophobicContact CG1-CB 4.23Å; V84-Y150 HydrophobicContact CB-CE1 4.03Å; V84-Y150 HydrophobicContact CB-CE2 4.35Å; V84-Y150 HydrophobicContact CG1-CD1 4.08Å; V84-Y150 HydrophobicContact CG1-CD2 4.08Å; V84-Y150 HydrophobicContact CG1-CE1 3.8Å; V84-Y150 HydrophobicContact CG1-CE2 3.77Å; V84-Y150 HydrophobicContact CG1-CG 4.21Å; V84-Y150 HydrophobicContact CG2-CD1 4.48Å; V84-Y150 HydrophobicContact CG2-CE1 3.77Å
85	L	87.2	Confident	84.7	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-44.4	178.6	-67.2	-177.4	0	0	0	112.2	I69 L71 A80 H81 K82 S87 C88 S89 F92 F96 V146 A149	I69-L85 HydrophobicContact CG2-CD1 4.35Å; L71-L85 HydrophobicContact CD1-CD1 4.06Å; A80-L85 HydrophobicContact CB-CD1 3.7Å; A80-L85 HydrophobicContact CB-CG 4.16Å; H81-L85 PolarHBondContact O-N 3.33Å; K82-L85 PolarHBondContact O-N 2.84Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.41Å; L85-C88 PolarHBondContact O-N 2.8Å; L85-S89 WeakPolarHBondContact O-CB 3.3Å; L85-S89 PolarHBondContact O-N 3.37Å; L85-F92 HydrophobicContact CB-CB 4.03Å; L85-F92 HydrophobicContact CB-CD2 3.79Å; L85-F92 HydrophobicContact CB-CE2 4.47Å; L85-F92 HydrophobicContact CB-CG 3.96Å; L85-F92 HydrophobicContact CD1-CD2 4.45Å; L85-F92 HydrophobicContact CD1-CE2 4.43Å; L85-F92 HydrophobicContact CD2-CD2 4.29Å; L85-F92 HydrophobicContact CD2-CE2 4.22Å; L85-F92 HydrophobicContact CG-CD2 4.4Å; L85-F96 HydrophobicContact CB-CE2 4.11Å; L85-V146 HydrophobicContact CD2-CG1 4.42Å; L85-V146 HydrophobicContact CD2-CG2 4.29Å; L85-A149 HydrophobicContact CD2-CB 4.24Å
86	A	85.6	Confident	84.7	Confident	18 Å²	18	39.3 Å²	39.3	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-30.4	175.9	0	0	0	0	0	113.2	K82 H93 F96	K82-A86 WeakPolarHBondContact O-CB 3.31Å; K82-A86 PolarHBondContact O-N 3.39Å; A86-H93 HydrophobicContact CB-CB 4.33Å; A86-H93 WeakPolarHBondContact O-CB 3.49Å; A86-F96 HydrophobicContact CB-CD2 4.14Å
87	S	85.8	Confident	84.1	Confident	82 Å²	82	39.4 Å²	39.4	57%	0.573	22%	0.217	S	C	*	.	H	α-helix	trans	-73.4	-29.7	177.2	72.2	0	0	0	0	113	V83 V84 L85	V83-S87 VanDerWaalsContact O-CB 3.28Å; V83-S87 WeakPolarHBondContact O-CB 3.43Å; V83-S87 PolarHBondContact O-N 3.19Å; V83-S87 PolarHBondContact O-OG 3.18Å; V84-S87 PolarHBondContact O-N 3.19Å; V84-S87 PolarHBondContact O-OG 2.8Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.41Å
88	C	86.2	Confident	82.9	Confident	44 Å²	44	36.5 Å²	36.5	30%	0.297	21%	0.21	S	C	.	.	H	α-helix	trans	-94.9	-31.5	-174.6	-172.3	0	0	0	0	112.7	V84 L85 A149 L173	V84-C88 PolarHBondContact O-N 2.72Å; L85-C88 PolarHBondContact O-N 2.8Å; C88-A149 HydrophobicContact CB-CB 4.08Å; C88-L173 WeakPolarHBondContact O-CD2 3.37Å; C88-L173 VanDerWaalsContact SG-CD2 3.57Å
89	S	86.3	Confident	81.3	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.021	23%	0.233	C	C	.	.			trans	-124.5	120.6	-172.9	168.5	0	0	0	0	111.3	L85 Y91 F92 H93 L171	L85-S89 WeakPolarHBondContact O-CB 3.3Å; L85-S89 PolarHBondContact O-N 3.37Å; S89-Y91 PolarHBondContact O-N 3.12Å; S89-Y91 WeakPolarHBondContact OG-CB 3.4Å; S89-Y91 PolarHBondContact OG-N 2.83Å; S89-F92 PolarHBondContact O-N 2.98Å; S89-F92 PolarHBondContact OG-N 3.14Å; S89-H93 PolarHBondContact O-N 2.95Å; S89-L171 WeakPolarHBondContact CB-O 3.22Å; S89-L171 PolarHBondContact OG-O 2.95Å
90	P	81.9	Confident	79.5	Confident	66 Å²	66	37.9 Å²	37.9	43%	0.429	22%	0.219	S	C	.	.	H	α-helix	trans	-59.1	-29.7	171.8	-23.9	33.3	0	0	0	113.3	H93 A94 Q172	P90-H93 PolarHBondContact O-N 3.31Å; P90-A94 WeakPolarHBondContact O-CB 3.35Å; P90-A94 PolarHBondContact O-N 2.94Å; P90-Q172 HydrophobicContact CB-CB 4.49Å; P90-Q172 HydrophobicContact CG-CB 4.34Å
91	Y	82.4	Confident	77.3	Confident	23 Å²	23	42.7 Å²	42.7	9%	0.09	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-54.4	174.5	173.7	-86.6	0	0	0	110.9	S89 H93 A94 M95 F110 L134 L171	S89-Y91 PolarHBondContact O-N 3.12Å; S89-Y91 WeakPolarHBondContact OG-CB 3.4Å; S89-Y91 PolarHBondContact OG-N 2.83Å; Y91-H93 VanDerWaalsContact C-N 3.29Å; Y91-H93 PolarHBondContact O-N 3.19Å; Y91-A94 PolarHBondContact O-N 3.42Å; Y91-M95 HydrophobicContact CE1-SD 4.17Å; Y91-M95 WeakPolarHBondContact O-CB 3.3Å; Y91-M95 PolarHBondContact O-N 3.04Å; Y91-F110 HydrophobicContact CD2-CE2 4.38Å; Y91-F110 HydrophobicContact CD2-CZ 4.18Å; Y91-F110 HydrophobicContact CE2-CE1 4.41Å; Y91-F110 HydrophobicContact CE2-CE2 4.13Å; Y91-F110 AromaticContact CE2-CZ 3.5Å; Y91-F110 HydrophobicContact CE2-CZ 3.5Å; Y91-L134 HydrophobicContact CE1-CD2 4.35Å; Y91-L171 HydrophobicContact CD1-CD2 3.63Å; Y91-L171 HydrophobicContact CE1-CD2 3.91Å; Y91-L171 HydrophobicContact CG-CD2 4.21Å
92	F	83.2	Confident	74.9	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-32.7	178.5	-71.7	-52.4	0	0	0	112.1	L71 L85 S89 M95 F96 L134 L171	L71-F92 HydrophobicContact CD1-CZ 4.18Å; L71-F92 HydrophobicContact CD2-CE1 4.41Å; L85-F92 HydrophobicContact CB-CB 4.03Å; L85-F92 HydrophobicContact CB-CD2 3.79Å; L85-F92 HydrophobicContact CB-CE2 4.47Å; L85-F92 HydrophobicContact CB-CG 3.96Å; L85-F92 HydrophobicContact CD1-CD2 4.45Å; L85-F92 HydrophobicContact CD1-CE2 4.43Å; L85-F92 HydrophobicContact CD2-CD2 4.29Å; L85-F92 HydrophobicContact CD2-CE2 4.22Å; L85-F92 HydrophobicContact CG-CD2 4.4Å; S89-F92 PolarHBondContact O-N 2.98Å; S89-F92 PolarHBondContact OG-N 3.14Å; F92-M95 HydrophobicContact CD1-SD 4.32Å; F92-M95 PolarHBondContact O-N 3.28Å; F92-F96 HydrophobicContact CB-CD2 4.3Å; F92-F96 HydrophobicContact CB-CE2 3.77Å; F92-F96 HydrophobicContact CB-CZ 4.22Å; F92-F96 HydrophobicContact CD1-CE2 4.16Å; F92-F96 AromaticContact CD1-CZ 3.76Å; F92-F96 HydrophobicContact CD1-CZ 3.76Å; F92-F96 HydrophobicContact CG-CE2 4.24Å; F92-F96 HydrophobicContact CG-CZ 4.3Å; F92-F96 WeakPolarHBondContact O-CB 3.25Å; F92-F96 WeakPolarHBondContact O-CD2 3.32Å; F92-F96 VanDerWaalsContact O-CG 3.23Å; F92-F96 WeakPolarHBondContact O-CG 3.27Å; F92-F96 PolarHBondContact O-N 2.86Å; F92-L134 HydrophobicContact CE1-CD1 4.37Å; F92-L134 HydrophobicContact CZ-CD1 4.33Å; F92-L171 HydrophobicContact CE1-CD2 4.23Å; F92-L171 HydrophobicContact CE2-CD1 4.02Å; F92-L171 HydrophobicContact CE2-CD2 3.84Å; F92-L171 HydrophobicContact CE2-CG 4.43Å; F92-L171 HydrophobicContact CZ-CD1 4.18Å; F92-L171 HydrophobicContact CZ-CD2 3.6Å
93	H	80.4	Confident	72.9	Confident	74 Å²	74	53.2 Å²	53.2	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-57.1	-59	172.7	-171.6	83	0	0	0	110.9	A86 S89 P90 Y91 M95 F96 T97	A86-H93 HydrophobicContact CB-CB 4.33Å; A86-H93 WeakPolarHBondContact O-CB 3.49Å; S89-H93 PolarHBondContact O-N 2.95Å; P90-H93 PolarHBondContact O-N 3.31Å; Y91-H93 VanDerWaalsContact C-N 3.29Å; Y91-H93 PolarHBondContact O-N 3.19Å; H93-M95 PolarHBondContact O-N 3.22Å; H93-F96 PolarHBondContact O-N 3.07Å; H93-F96 VanDerWaalsContact O-N 3.16Å; H93-T97 WeakPolarHBondContact O-CB 3.49Å; H93-T97 WeakPolarHBondContact O-CG2 3.06Å; H93-T97 PolarHBondContact O-N 2.9Å; H93-T97 PolarHBondContact O-OG1 3.29Å
94	A	74.3	Confident	71.1	Confident	10 Å²	10	52.6 Å²	52.6	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-36	-177.9	0	0	0	0	0	112.3	P90 Y91 S98 L100	P90-A94 WeakPolarHBondContact O-CB 3.35Å; P90-A94 PolarHBondContact O-N 2.94Å; Y91-A94 PolarHBondContact O-N 3.42Å; A94-S98 PolarHBondContact O-N 3.3Å; A94-L100 HydrophobicContact CB-CD1 3.72Å; A94-L100 HydrophobicContact CB-CG 4.23Å
95	M	76.9	Confident	69.3	Low	12 Å²	12	57.8 Å²	57.8	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-45	177	-171.8	-174.6	-175.2	0	0	111.8	Y91 F92 H93 E126 V132	Y91-M95 HydrophobicContact CE1-SD 4.17Å; Y91-M95 WeakPolarHBondContact O-CB 3.3Å; Y91-M95 PolarHBondContact O-N 3.04Å; F92-M95 HydrophobicContact CD1-SD 4.32Å; F92-M95 PolarHBondContact O-N 3.28Å; H93-M95 PolarHBondContact O-N 3.22Å; M95-E126 HydrophobicContact CE-CB 4.16Å; M95-E126 HydrophobicContact CE-CG 3.97Å; M95-E126 VanDerWaalsContact CE-OE1 3.27Å; M95-E126 WeakPolarHBondContact CE-OE1 3.48Å; M95-E126 VanDerWaalsContact CE-OE2 3.25Å; M95-E126 WeakPolarHBondContact CE-OE2 3.47Å; M95-V132 HydrophobicContact CE-CB 4.16Å; M95-V132 HydrophobicContact CE-CG1 3.33Å; M95-V132 HydrophobicContact CE-CG2 3.71Å; M95-V132 HydrophobicContact SD-CG1 4.3Å
96	F	78.4	Confident	67.6	Low	25 Å²	25	59.7 Å²	59.7	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-85.9	-25.7	-176.1	-56.1	-29.4	0	0	0	113.7	I69 K82 L85 A86 F92 H93	I69-F96 HydrophobicContact CD1-CE1 3.41Å; I69-F96 VanDerWaalsContact CD1-CE1 3.41Å; I69-F96 HydrophobicContact CD1-CE2 4.33Å; I69-F96 HydrophobicContact CD1-CZ 3.31Å; K82-F96 HydrophobicContact CB-CD2 3.87Å; K82-F96 HydrophobicContact CB-CE2 4.1Å; K82-F96 HydrophobicContact CB-CG 4.48Å; K82-F96 HydrophobicContact CG-CD2 4.1Å; K82-F96 HydrophobicContact CG-CE2 4.12Å; K82-F96 HydrophobicContact CG-CG 4.41Å; K82-F96 HydrophobicContact CG-CZ 4.44Å; L85-F96 HydrophobicContact CB-CE2 4.11Å; A86-F96 HydrophobicContact CB-CD2 4.14Å; F92-F96 HydrophobicContact CB-CD2 4.3Å; F92-F96 HydrophobicContact CB-CE2 3.77Å; F92-F96 HydrophobicContact CB-CZ 4.22Å; F92-F96 HydrophobicContact CD1-CE2 4.16Å; F92-F96 AromaticContact CD1-CZ 3.76Å; F92-F96 HydrophobicContact CD1-CZ 3.76Å; F92-F96 HydrophobicContact CG-CE2 4.24Å; F92-F96 HydrophobicContact CG-CZ 4.3Å; F92-F96 WeakPolarHBondContact O-CB 3.25Å; F92-F96 WeakPolarHBondContact O-CD2 3.32Å; F92-F96 VanDerWaalsContact O-CG 3.23Å; F92-F96 WeakPolarHBondContact O-CG 3.27Å; F92-F96 PolarHBondContact O-N 2.86Å; H93-F96 PolarHBondContact O-N 3.07Å; H93-F96 VanDerWaalsContact O-N 3.16Å
97	T	71.1	Confident	65.9	Low	62 Å²	62	61.9 Å²	61.9	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-93.4	-1.2	-179.4	63.2	0	0	0	0	114.2	H93 E99	H93-T97 WeakPolarHBondContact O-CB 3.49Å; H93-T97 WeakPolarHBondContact O-CG2 3.06Å; H93-T97 PolarHBondContact O-N 2.9Å; H93-T97 PolarHBondContact O-OG1 3.29Å; T97-E99 PolarHBondContact O-N 3.38Å
98	S	62.2	Low	64.2	Low	66 Å²	66	63.8 Å²	63.8	46%	0.462	35%	0.346	S	S	.	.	S	Bend	trans	67.5	10.5	179.2	-30	0	0	0	0	115.1	A94 L100 T101	A94-S98 PolarHBondContact O-N 3.3Å; S98-L100 PolarHBondContact O-N 3.16Å; S98-T101 PolarHBondContact O-OG1 3.27Å; S98-T101 VanDerWaalsContact O-OG1 3.04Å
99	E	54.5	Low	62.5	Low	112 Å²	112	67.6 Å²	67.6	52%	0.523	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-71	-13	-179.8	-74.2	-168.1	159.3	0	0	114.2	T97 T101 R102	T97-E99 PolarHBondContact O-N 3.38Å; E99-T101 PolarHBondContact O-N 3.4Å; E99-R102 PolarHBondContact O-N 3.25Å
100	L	50.9	Low	60.8	Low	31 Å²	31	69.9 Å²	69.9	16%	0.162	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-56.5	-22.1	177.2	-117.7	130.6	0	0	0	113.6	A94 S98 F110	A94-L100 HydrophobicContact CB-CD1 3.72Å; A94-L100 HydrophobicContact CB-CG 4.23Å; S98-L100 PolarHBondContact O-N 3.16Å; L100-F110 HydrophobicContact CD2-CD2 4.02Å; L100-F110 HydrophobicContact CD2-CE2 3.85Å; L100-F110 HydrophobicContact CD2-CZ 4.19Å
101	T	43.8	Very low	59.2	Low	101 Å²	101	76.1 Å²	76.1	62%	0.62	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-80.1	-16.3	177.1	51.1	0	0	0	0	114.5	S98 E99	S98-T101 PolarHBondContact O-OG1 3.27Å; S98-T101 VanDerWaalsContact O-OG1 3.04Å; E99-T101 PolarHBondContact O-N 3.4Å
102	R	41	Very low	57.3	Low	229 Å²	229	83.8 Å²	83.8	86%	0.864	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-15.2	-174.2	-66	180	81.9	118.7	-2.1	114.9	E99	E99-R102 PolarHBondContact O-N 3.25Å
103	S	45.3	Very low	55.6	Low	45 Å²	45	87.5 Å²	87.5	32%	0.315	44%	0.437	S	S	.	.			trans	-99.3	105.4	-177.7	-174.4	0	0	0	0	112.2	T105 L106 M107	S103-T105 VanDerWaalsContact C-N 3.25Å; S103-T105 PolarHBondContact O-N 2.92Å; S103-L106 PolarHBondContact O-N 3.23Å; S103-M107 PolarHBondContact O-N 3Å
104	S	48.5	Very low	54.2	Low	90 Å²	90	86.4 Å²	86.4	63%	0.629	43%	0.431	S	S	*	.	H	α-helix	trans	-61	-29.3	180	38.2	0	0	0	0	113.7	L108	S104-L108 PolarHBondContact O-N 3.47Å
105	T	49.4	Very low	52.6	Low	112 Å²	112	95.3 Å²	95.3	69%	0.687	47%	0.468	S	S	*	.	H	α-helix	trans	-75	-41.2	179.9	-49.6	0	0	0	0	112.8	S103 Y109	S103-T105 VanDerWaalsContact C-N 3.25Å; S103-T105 PolarHBondContact O-N 2.92Å; T105-Y109 PolarHBondContact O-N 3Å
106	L	50.7	Low	50.8	Low	45 Å²	45	100.6 Å²	100.6	24%	0.236	50%	0.501	C	S	.	.	H	α-helix	trans	-69	-36.9	176.2	-96.4	111.4	0	0	0	111.8	S103 L108 Y109 F110	S103-L106 PolarHBondContact O-N 3.23Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.38Å; L106-Y109 PolarHBondContact O-N 2.98Å; L106-F110 PolarHBondContact O-N 3.41Å
107	M	51.6	Low	49	Very low	64 Å²	64	102.5 Å²	102.5	32%	0.315	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-36.7	179.4	-146.7	-166.5	-101.9	0	0	112.2	S103 R111	S103-M107 PolarHBondContact O-N 3Å; M107-R111 PolarHBondContact O-N 3.47Å; M107-R111 VanDerWaalsContact O-N 3.08Å
108	L	48.8	Very low	47.4	Very low	121 Å²	121	108.9 Å²	108.9	63%	0.634	54%	0.538	S	S	*	.	H	α-helix	trans	-66.5	-36.6	174.1	-93.2	156	0	0	0	112.9	S104 L106 K112	S104-L108 PolarHBondContact O-N 3.47Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.38Å; L108-K112 PolarHBondContact O-N 3.28Å
109	Y	49.8	Very low	46.3	Very low	125 Å²	125	111.4 Å²	111.4	49%	0.49	55%	0.551	S	S	.	*	H	α-helix	trans	-68	-45	177.3	-150	-89.9	0	0	0	110.9	T105 L106 R111 K112 V113	T105-Y109 PolarHBondContact O-N 3Å; L106-Y109 PolarHBondContact O-N 2.98Å; Y109-R111 PolarHBondContact O-N 3.05Å; Y109-K112 PolarHBondContact O-N 3.43Å; Y109-V113 HydrophobicContact CD1-CG2 4.22Å; Y109-V113 HydrophobicContact CE1-CG2 4.23Å; Y109-V113 WeakPolarHBondContact O-CG2 3.37Å; Y109-V113 PolarHBondContact O-N 2.95Å
110	F	51.7	Low	45.7	Very low	51 Å²	51	110.7 Å²	110.7	22%	0.224	55%	0.549	C	S	.	.	H	α-helix	trans	-59.5	-45.4	175.1	-99.9	-93.9	0	0	0	112.9	Y91 L100 L106 K112 V113 F114	Y91-F110 HydrophobicContact CD2-CE2 4.38Å; Y91-F110 HydrophobicContact CD2-CZ 4.18Å; Y91-F110 HydrophobicContact CE2-CE1 4.41Å; Y91-F110 HydrophobicContact CE2-CE2 4.13Å; Y91-F110 AromaticContact CE2-CZ 3.5Å; Y91-F110 HydrophobicContact CE2-CZ 3.5Å; L100-F110 HydrophobicContact CD2-CD2 4.02Å; L100-F110 HydrophobicContact CD2-CE2 3.85Å; L100-F110 HydrophobicContact CD2-CZ 4.19Å; L106-F110 PolarHBondContact O-N 3.41Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 3.3Å; F110-V113 PolarHBondContact O-N 2.99Å; F110-F114 HydrophobicContact CD1-CD2 4.02Å; F110-F114 HydrophobicContact CD1-CE2 4.17Å; F110-F114 HydrophobicContact CE1-CD2 4.49Å; F110-F114 HydrophobicContact CE1-CE2 4.2Å; F110-F114 PolarHBondContact O-N 3.31Å; F110-F114 VanDerWaalsContact O-N 3.07Å
111	R	47.5	Very low	45.1	Very low	196 Å²	196	115.6 Å²	115.6	74%	0.74	57%	0.57	S	S	*	*	H	α-helix	trans	-62.7	-28.1	177.6	-106.2	180	149.1	144.8	-3.9	114.1	M107 Y109	M107-R111 PolarHBondContact O-N 3.47Å; M107-R111 VanDerWaalsContact O-N 3.08Å; Y109-R111 PolarHBondContact O-N 3.05Å
112	K	43.1	Very low	44.7	Very low	185 Å²	185	117.5 Å²	117.5	80%	0.804	58%	0.576	S	S	*	*	H	α-helix	trans	-81	-35.3	179.8	-107.4	-178.2	175.8	-179.1	0	113	L108 Y109 F110	L108-K112 PolarHBondContact O-N 3.28Å; Y109-K112 PolarHBondContact O-N 3.43Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 3.3Å
113	V	47	Very low	44.6	Very low	82 Å²	82	114.9 Å²	114.9	50%	0.497	57%	0.574	S	S	.	*	H	α-helix	trans	-83.4	-41.1	-176.3	177.1	0	0	0	0	111.1	Y109 F110 K115	Y109-V113 HydrophobicContact CD1-CG2 4.22Å; Y109-V113 HydrophobicContact CE1-CG2 4.23Å; Y109-V113 WeakPolarHBondContact O-CG2 3.37Å; Y109-V113 PolarHBondContact O-N 2.95Å; F110-V113 PolarHBondContact O-N 2.99Å; V113-K115 PolarHBondContact O-N 3.37Å
114	F	51.1	Low	44.5	Very low	50 Å²	50	121.4 Å²	121.4	22%	0.219	60%	0.601	C	S	.	*			trans	-100.5	76.5	-179.5	-66.9	-79.7	0	0	0	110.9	F110 T116 L117	F110-F114 HydrophobicContact CD1-CD2 4.02Å; F110-F114 HydrophobicContact CD1-CE2 4.17Å; F110-F114 HydrophobicContact CE1-CD2 4.49Å; F110-F114 HydrophobicContact CE1-CE2 4.2Å; F110-F114 PolarHBondContact O-N 3.31Å; F110-F114 VanDerWaalsContact O-N 3.07Å; F114-T116 PolarHBondContact O-N 3.16Å; F114-L117 HydrophobicContact CB-CB 4.45Å; F114-L117 HydrophobicContact CB-CD1 4.28Å; F114-L117 HydrophobicContact CD1-CD1 3.58Å; F114-L117 HydrophobicContact CE1-CD1 4.25Å; F114-L117 HydrophobicContact CG-CD1 4.2Å
115	K	42	Very low	44.4	Very low	197 Å²	197	120 Å²	120	86%	0.857	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-1.3	178.4	-134.5	178.9	-174.5	-177.9	0	113.9	V113	V113-K115 PolarHBondContact O-N 3.37Å
116	T	37.6	Very low	44.5	Very low	124 Å²	124	118.4 Å²	118.4	76%	0.761	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	10.5	-168.5	-8.4	0	0	0	0	114.6	F114	F114-T116 PolarHBondContact O-N 3.16Å
117	L	40.6	Very low	44.6	Very low	64 Å²	64	118.1 Å²	118.1	34%	0.335	58%	0.578	S	S	.	*			trans	-126.8	61.1	-174.1	-66.9	164.9	0	0	0	112	F114 T119 I120	F114-L117 HydrophobicContact CB-CB 4.45Å; F114-L117 HydrophobicContact CB-CD1 4.28Å; F114-L117 HydrophobicContact CD1-CD1 3.58Å; F114-L117 HydrophobicContact CE1-CD1 4.25Å; F114-L117 HydrophobicContact CG-CD1 4.2Å; L117-T119 PolarHBondContact O-N 2.79Å; L117-I120 HydrophobicContact CB-CD1 4.24Å; L117-I120 HydrophobicContact CB-CG1 4.22Å; L117-I120 HydrophobicContact CD1-CD1 3.67Å; L117-I120 HydrophobicContact CD2-CD1 3.82Å; L117-I120 HydrophobicContact CD2-CG1 3.97Å; L117-I120 HydrophobicContact CG-CD1 4.1Å; L117-I120 HydrophobicContact CG-CG1 4.44Å
118	E	39	Very low	44.7	Very low	196 Å²	196	125.6 Å²	125.6	92%	0.916	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-7.1	156.5	-109.4	176.9	170.4	0	0	112.3
119	T	38.1	Very low	45.5	Very low	120 Å²	120	123.4 Å²	123.4	74%	0.736	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-4.5	-173.7	6.4	0	0	0	0	116	L117	L117-T119 PolarHBondContact O-N 2.79Å
120	I	41.8	Very low	46.5	Very low	96 Å²	96	121.1 Å²	121.1	49%	0.492	59%	0.588	S	S	.	*	S	Bend	trans	-97.2	-14.7	-177.4	-64.4	-173.1	0	0	0	113.7	L117 N122	L117-I120 HydrophobicContact CB-CD1 4.24Å; L117-I120 HydrophobicContact CB-CG1 4.22Å; L117-I120 HydrophobicContact CD1-CD1 3.67Å; L117-I120 HydrophobicContact CD2-CD1 3.82Å; L117-I120 HydrophobicContact CD2-CG1 3.97Å; L117-I120 HydrophobicContact CG-CD1 4.1Å; L117-I120 HydrophobicContact CG-CG1 4.44Å; I120-N122 PolarHBondContact O-N 2.86Å
121	F	39.1	Very low	47.7	Very low	135 Å²	135	123.3 Å²	123.3	59%	0.592	60%	0.599	S	S	*	*			trans	-82.7	41.6	-177.7	-99.2	-87.5	0	0	0	114.2
122	N	35.2	Very low	49.2	Very low	141 Å²	141	114 Å²	114	75%	0.754	56%	0.564	S	S	*	*			trans	-89.9	102	158.2	-98.2	-7.4	0	0	0	108.8	I120	I120-N122 PolarHBondContact O-N 2.86Å
123	E	38.7	Very low	50.9	Low	174 Å²	174	109 Å²	109	81%	0.813	55%	0.549	S	S	*	.	S	Bend	trans	-2.5	127.9	164.6	-59.8	180	154.8	0	0	118.4	S125	E123-S125 PolarHBondContact O-N 3.26Å
124	M	42.7	Very low	52.4	Low	182 Å²	182	105.6 Å²	105.6	90%	0.897	53%	0.528	S	S	*	.	S	Bend	trans	64.9	31.4	148.1	-76	-173	148.9	0	0	119.9
125	S	48	Very low	53.6	Low	61 Å²	61	108.8 Å²	108.8	43%	0.427	54%	0.543	S	S	.	.			trans	-108.3	-22.5	179	64.4	0	0	0	0	116.9	E123 Q129	E123-S125 PolarHBondContact O-N 3.26Å; S125-Q129 WeakPolarHBondContact O-CB 3.49Å; S125-Q129 WeakPolarHBondContact O-CG 3.48Å; S125-Q129 PolarHBondContact O-N 3.2Å; S125-Q129 PolarHBondContact O-NE2 2.87Å; S125-Q129 PolarHBondContact OG-NE2 3.39Å
126	E	51.3	Low	55.1	Low	77 Å²	77	106.4 Å²	106.4	36%	0.36	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-32	-175.3	-79.5	-176.9	152.9	0	0	115.1	M95 R128 Q129	M95-E126 HydrophobicContact CE-CB 4.16Å; M95-E126 HydrophobicContact CE-CG 3.97Å; M95-E126 VanDerWaalsContact CE-OE1 3.27Å; M95-E126 WeakPolarHBondContact CE-OE1 3.48Å; M95-E126 VanDerWaalsContact CE-OE2 3.25Å; M95-E126 WeakPolarHBondContact CE-OE2 3.47Å; E126-R128 PolarHBondContact O-N 2.96Å; E126-Q129 PolarHBondContact O-N 3.45Å; E126-Q129 VanDerWaalsContact O-N 3.16Å
127	S	52.6	Low	57.2	Low	39 Å²	39	101.1 Å²	101.1	27%	0.273	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27	-178.5	61.7	0	0	0	0	112.7	K82	K82-S127 PolarHBondContact NZ-O 2.85Å
128	R	53.6	Low	59.5	Low	222 Å²	222	101.1 Å²	101.1	84%	0.838	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-8.7	177.3	-62.4	-175.3	-176.7	-173.3	1.9	114.1	E126	E126-R128 PolarHBondContact O-N 2.96Å
129	Q	64.6	Low	61.8	Low	74 Å²	74	93.3 Å²	93.3	35%	0.346	47%	0.474	S	S	.	.			trans	-73.3	139.6	178.9	-87.9	162	9	0	0	111.1	K82 S125 E126	K82-Q129 WeakPolarHBondContact CE-O 3.28Å; K82-Q129 PolarHBondContact NZ-O 3.32Å; S125-Q129 WeakPolarHBondContact O-CB 3.49Å; S125-Q129 WeakPolarHBondContact O-CG 3.48Å; S125-Q129 PolarHBondContact O-N 3.2Å; S125-Q129 PolarHBondContact O-NE2 2.87Å; S125-Q129 PolarHBondContact OG-NE2 3.39Å; E126-Q129 PolarHBondContact O-N 3.45Å; E126-Q129 VanDerWaalsContact O-N 3.16Å
130	T	70.5	Confident	64.2	Low	78 Å²	78	92.1 Å²	92.1	48%	0.479	46%	0.46	S	S	.	.	S	Bend	trans	-93.5	-8.2	171.2	52.4	0	0	0	0	111.9	I69 V70	I69-T130 CarbonylContact C-O 3.53Å; I69-T130 WeakPolarHBondContact CA-O 3.21Å; V70-T130 PolarHBondContact N-O 2.85Å
131	H	77.3	Confident	66.5	Low	96 Å²	96	87.6 Å²	87.6	44%	0.444	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.9	179.6	-65.3	-85.8	0	0	0	109.7	V70 H72	V70-H131 WeakPolarHBondContact O-CA 3.44Å; H72-H131 AromaticContact CD2-ND1 3.9Å; H72-H131 AromaticContact NE2-CG 3.87Å; H72-H131 AromaticContact NE2-ND1 3.14Å; H72-H131 PolarHBondContact NE2-ND1 3.41Å; H72-H131 VanDerWaalsContact NE2-ND1 3.14Å
132	V	80.4	Confident	69	Low	2 Å²	2	81.2 Å²	81.2	1%	0.012	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.3	179.7	169.2	0	0	0	0	108.5	I69 V70 L71 H72 M95 L134	I69-V132 HydrophobicContact CD1-CB 4.42Å; I69-V132 HydrophobicContact CD1-CG2 3.85Å; I69-V132 HydrophobicContact CG1-CG2 4.44Å; V70-V132 PolarHBondContact O-N 3.25Å; L71-V132 CarbonylContact C-O 3.57Å; L71-V132 WeakPolarHBondContact CA-O 3.41Å; L71-V132 HydrophobicContact CD2-CB 4.04Å; L71-V132 HydrophobicContact CD2-CG1 4.28Å; H72-V132 PolarHBondContact N-O 3.06Å; M95-V132 HydrophobicContact CE-CB 4.16Å; M95-V132 HydrophobicContact CE-CG1 3.33Å; M95-V132 HydrophobicContact CE-CG2 3.71Å; M95-V132 HydrophobicContact SD-CG1 4.3Å; V132-L134 HydrophobicContact CG1-CD2 4.24Å; V132-L134 HydrophobicContact CG1-CG 4.3Å
133	T	77.6	Confident	71.5	Confident	80 Å²	80	77.8 Å²	77.8	49%	0.491	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.7	176.6	-49.2	0	0	0	0	109.6	H72	H72-T133 HydrophobicContact CB-CG2 4.25Å; H72-T133 WeakPolarHBondContact O-CA 3.35Å
134	L	78.8	Confident	74	Confident	10 Å²	10	72.1 Å²	72.1	5%	0.052	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-100.2	124.6	175	-62.4	167	0	0	0	108.9	L71 H72 V73 Y91 F92 V132 I137 L142	L71-L134 HydrophobicContact CD1-CD1 4.43Å; L71-L134 HydrophobicContact CD2-CD1 4.35Å; H72-L134 PolarHBondContact O-N 3.44Å; V73-L134 HydrophobicContact CG2-CB 3.88Å; Y91-L134 HydrophobicContact CE1-CD2 4.35Å; F92-L134 HydrophobicContact CE1-CD1 4.37Å; F92-L134 HydrophobicContact CZ-CD1 4.33Å; V132-L134 HydrophobicContact CG1-CD2 4.24Å; V132-L134 HydrophobicContact CG1-CG 4.3Å; L134-I137 HydrophobicContact CB-CD1 4.13Å; L134-I137 HydrophobicContact CD1-CD1 4.19Å; L134-L142 HydrophobicContact CD1-CD1 4.27Å; L134-L142 HydrophobicContact CD1-CD2 3.85Å
135	H	75.4	Confident	76.3	Confident	116 Å²	116	63.7 Å²	63.7	54%	0.537	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-96.4	155.5	174.8	-60.5	-71	0	0	0	109.8	I137	H135-I137 VanDerWaalsContact C-N 3.31Å; H135-I137 PolarHBondContact O-N 3.4Å
136	D	73.3	Confident	78.4	Confident	148 Å²	148	60.9 Å²	60.9	79%	0.791	30%	0.3	S	S	*	.	S	Bend	trans	64.1	24.7	174	-49.5	-42.2	0	0	0	116.3
137	I	83.6	Confident	80.2	Confident	13 Å²	13	60.2 Å²	60.2	7%	0.067	30%	0.297	C	S	.	.	S	Bend	trans	-120.5	137.1	171.6	-54.2	177.5	0	0	0	109.3	V73 L134 H135 L142 A167 L170 L171	V73-I137 WeakPolarHBondContact CG1-O 3.44Å; L134-I137 HydrophobicContact CB-CD1 4.13Å; L134-I137 HydrophobicContact CD1-CD1 4.19Å; H135-I137 VanDerWaalsContact C-N 3.31Å; H135-I137 PolarHBondContact O-N 3.4Å; I137-L142 HydrophobicContact CG2-CB 3.94Å; I137-A167 HydrophobicContact CG2-CB 3.79Å; I137-L170 HydrophobicContact CD1-CD2 3.66Å; I137-L170 HydrophobicContact CG1-CD2 3.69Å; I137-L171 HydrophobicContact CD1-CD2 4.46Å
138	D	87.3	Confident	82	Confident	63 Å²	63	60.7 Å²	60.7	34%	0.337	29%	0.293	S	S	.	.			trans	-66.4	130.8	172.5	176.1	-96.2	0	0	0	111.2	Q140 A141 L142 T163	D138-Q140 PolarHBondContact O-N 3.23Å; D138-Q140 WeakPolarHBondContact OD1-CA 3.42Å; D138-Q140 VanDerWaalsContact OD1-CB 3.22Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.37Å; D138-Q140 PolarHBondContact OD1-N 2.91Å; D138-A141 HydrophobicContact CB-CB 3.98Å; D138-A141 PolarHBondContact O-N 3.04Å; D138-A141 PolarHBondContact OD1-N 3.48Å; D138-L142 PolarHBondContact O-N 2.62Å; D138-T163 HydrophobicContact CB-CG2 4.04Å
139	P	87.1	Confident	83.7	Confident	32 Å²	32	50.7 Å²	50.7	21%	0.208	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-32.3	-177.3	-23.1	30.6	0	0	0	114.1	V73 K76 E143	V73-P139 HydrophobicContact CG1-CB 4.35Å; V73-P139 HydrophobicContact CG1-CG 4Å; K76-P139 HydrophobicContact CB-CB 4.14Å; K76-P139 HydrophobicContact CD-CB 3.99Å; P139-E143 PolarHBondContact O-N 3Å
140	Q	89.5	Confident	84.9	Confident	96 Å²	96	47.5 Å²	47.5	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-77.1	-40.4	-179.7	-164.4	62.1	25.8	0	0	110.7	D138 E143 Q144	D138-Q140 PolarHBondContact O-N 3.23Å; D138-Q140 WeakPolarHBondContact OD1-CA 3.42Å; D138-Q140 VanDerWaalsContact OD1-CB 3.22Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.37Å; D138-Q140 PolarHBondContact OD1-N 2.91Å; Q140-E143 PolarHBondContact NE2-OE2 3.2Å; Q140-E143 PolarHBondContact O-N 3.04Å; Q140-Q144 WeakPolarHBondContact O-CG 3.44Å; Q140-Q144 PolarHBondContact O-N 2.86Å
141	A	90.3	Very high	85.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-45.6	173.6	0	0	0	0	0	111.6	D138 E143 Q144 L145 L164 A167	D138-A141 HydrophobicContact CB-CB 3.98Å; D138-A141 PolarHBondContact O-N 3.04Å; D138-A141 PolarHBondContact OD1-N 3.48Å; A141-E143 PolarHBondContact O-N 3.28Å; A141-Q144 PolarHBondContact O-N 3.12Å; A141-L145 VanDerWaalsContact O-CG 3.3Å; A141-L145 WeakPolarHBondContact O-CG 3.43Å; A141-L145 PolarHBondContact O-N 3.29Å; A141-L164 HydrophobicContact CB-CD1 4.49Å; A141-A167 HydrophobicContact CB-CB 4.11Å
142	L	90.4	Very high	86.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-42.7	178.1	-176.3	64.6	0	0	0	111.9	L71 V73 I78 L134 I137 D138 Q144 L145 V146 L171	L71-L142 HydrophobicContact CB-CD2 4.3Å; L71-L142 HydrophobicContact CD1-CD2 4.17Å; V73-L142 HydrophobicContact CB-CD2 4.31Å; V73-L142 HydrophobicContact CG2-CD2 3.23Å; I78-L142 HydrophobicContact CD1-CB 4.27Å; I78-L142 HydrophobicContact CD1-CD2 3.96Å; I78-L142 HydrophobicContact CD1-CG 4.01Å; L134-L142 HydrophobicContact CD1-CD1 4.27Å; L134-L142 HydrophobicContact CD1-CD2 3.85Å; I137-L142 HydrophobicContact CG2-CB 3.94Å; D138-L142 PolarHBondContact O-N 2.62Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 3.03Å; L142-L145 PolarHBondContact O-N 2.61Å; L142-V146 HydrophobicContact CD1-CG2 4.24Å; L142-V146 HydrophobicContact CG-CG2 4.27Å; L142-V146 WeakPolarHBondContact O-CG2 3.5Å; L142-V146 PolarHBondContact O-N 3.11Å; L142-L171 HydrophobicContact CD1-CD1 3.7Å
143	E	89.6	Confident	86.5	Confident	69 Å²	69	52 Å²	52	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-41.7	177	-177.1	175.8	-129.3	0	0	111.8	K76 I78 P139 Q140 A141 V146 Q147	K76-E143 IonicContact NZ-OE1 2.72Å; K76-E143 IonicContact NZ-OE2 3.21Å; K76-E143 PolarHBondContact NZ-OE2 3.08Å; I78-E143 HydrophobicContact CD1-CB 4.04Å; P139-E143 PolarHBondContact O-N 3Å; Q140-E143 PolarHBondContact NE2-OE2 3.2Å; Q140-E143 PolarHBondContact O-N 3.04Å; A141-E143 PolarHBondContact O-N 3.28Å; E143-V146 PolarHBondContact O-N 3.4Å; E143-Q147 WeakPolarHBondContact O-CB 3.35Å; E143-Q147 PolarHBondContact O-N 2.98Å
144	Q	90.6	Very high	87.2	Confident	56 Å²	56	50.3 Å²	50.3	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-40.1	175.2	-72.6	-176	-16.1	0	0	112.3	Q140 A141 L142 Q147 Y148 I154 N160	Q140-Q144 WeakPolarHBondContact O-CG 3.44Å; Q140-Q144 PolarHBondContact O-N 2.86Å; A141-Q144 PolarHBondContact O-N 3.12Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 3.03Å; Q144-Q147 PolarHBondContact O-N 2.92Å; Q144-Y148 WeakPolarHBondContact O-CB 3.37Å; Q144-Y148 PolarHBondContact O-N 2.99Å; Q144-I154 HydrophobicContact CB-CD1 4.33Å; Q144-N160 PolarHBondContact OE1-ND2 3.32Å; Q144-N160 VanDerWaalsContact OE1-ND2 3.07Å
145	L	91.4	Very high	87.7	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-38.9	177.4	-67.1	175.5	0	0	0	112.4	A141 L142 Y148 A149 I154 L164 A167 A168 L171 L173 V176	A141-L145 VanDerWaalsContact O-CG 3.3Å; A141-L145 WeakPolarHBondContact O-CG 3.43Å; A141-L145 PolarHBondContact O-N 3.29Å; L142-L145 PolarHBondContact O-N 2.61Å; L145-Y148 WeakPolarHBondContact O-CB 3.41Å; L145-Y148 PolarHBondContact O-N 3.19Å; L145-A149 PolarHBondContact O-N 2.86Å; L145-I154 HydrophobicContact CD2-CD1 4.1Å; L145-L164 HydrophobicContact CD1-CD1 4.34Å; L145-L164 HydrophobicContact CD2-CD1 3.59Å; L145-L164 HydrophobicContact CG-CD1 3.79Å; L145-A167 HydrophobicContact CD1-CB 3.55Å; L145-A168 HydrophobicContact CD2-CB 4.18Å; L145-L171 HydrophobicContact CB-CD1 4.46Å; L145-L171 HydrophobicContact CD1-CD1 3.84Å; L145-L173 HydrophobicContact CB-CD1 4Å; L145-L173 HydrophobicContact CD1-CD1 4.35Å; L145-L173 HydrophobicContact CD2-CD1 3.8Å; L145-L173 HydrophobicContact CG-CD1 4.26Å; L145-V176 HydrophobicContact CD2-CB 4.23Å; L145-V176 HydrophobicContact CD2-CG1 3.81Å; L145-V176 HydrophobicContact CD2-CG2 4.1Å
146	V	90.3	Very high	88.5	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-43.9	172.7	175.4	0	0	0	0	109.6	L71 I78 A80 L85 L142 E143 Y148 A149 Y150	L71-V146 HydrophobicContact CD1-CG2 4.09Å; I78-V146 HydrophobicContact CG2-CB 4.3Å; I78-V146 HydrophobicContact CG2-CG1 4.06Å; I78-V146 HydrophobicContact CG2-CG2 4.18Å; A80-V146 HydrophobicContact CB-CG1 4.28Å; L85-V146 HydrophobicContact CD2-CG1 4.42Å; L85-V146 HydrophobicContact CD2-CG2 4.29Å; L142-V146 HydrophobicContact CD1-CG2 4.24Å; L142-V146 HydrophobicContact CG-CG2 4.27Å; L142-V146 WeakPolarHBondContact O-CG2 3.5Å; L142-V146 PolarHBondContact O-N 3.11Å; E143-V146 PolarHBondContact O-N 3.4Å; V146-Y148 VanDerWaalsContact C-N 3.31Å; V146-Y148 PolarHBondContact O-N 3.21Å; V146-A149 WeakPolarHBondContact O-CB 3.3Å; V146-A149 PolarHBondContact O-N 3.07Å; V146-A149 VanDerWaalsContact O-N 3.16Å; V146-Y150 HydrophobicContact CG1-CE2 4.15Å; V146-Y150 VanDerWaalsContact O-CD2 3.22Å; V146-Y150 WeakPolarHBondContact O-CD2 3.07Å
147	Q	89.7	Confident	89.3	Confident	63 Å²	63	45.6 Å²	45.6	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-46.2	174.6	-177.4	72.1	22.3	0	0	111.2	N58 E143 Q144 A149 Y150 T151	N58-Q147 PolarHBondContact ND2-NE2 3.36Å; E143-Q147 WeakPolarHBondContact O-CB 3.35Å; E143-Q147 PolarHBondContact O-N 2.98Å; Q144-Q147 PolarHBondContact O-N 2.92Å; Q147-A149 VanDerWaalsContact C-N 3.26Å; Q147-A149 PolarHBondContact O-N 2.92Å; Q147-Y150 PolarHBondContact O-N 2.92Å; Q147-T151 HydrophobicContact CG-CG2 4.22Å; Q147-T151 PolarHBondContact O-N 3.41Å; Q147-T151 PolarHBondContact O-OG1 3.2Å; Q147-T151 VanDerWaalsContact O-OG1 3.07Å
148	Y	91.2	Very high	89.4	Confident	49 Å²	49	52 Å²	52	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-38.6	176.5	169.2	-98.1	0	0	0	112.4	Q144 L145 V146 Y150 T151 A152 I154 V176	Q144-Y148 WeakPolarHBondContact O-CB 3.37Å; Q144-Y148 PolarHBondContact O-N 2.99Å; L145-Y148 WeakPolarHBondContact O-CB 3.41Å; L145-Y148 PolarHBondContact O-N 3.19Å; V146-Y148 VanDerWaalsContact C-N 3.31Å; V146-Y148 PolarHBondContact O-N 3.21Å; Y148-Y150 PolarHBondContact O-N 3.22Å; Y148-Y150 VanDerWaalsContact O-N 3.12Å; Y148-T151 PolarHBondContact O-N 3.22Å; Y148-A152 VanDerWaalsContact O-CA 3.3Å; Y148-A152 WeakPolarHBondContact O-CA 3.49Å; Y148-A152 PolarHBondContact O-N 2.95Å; Y148-I154 HydrophobicContact CD2-CB 3.9Å; Y148-I154 HydrophobicContact CD2-CG2 4Å; Y148-I154 HydrophobicContact CE2-CG2 4.34Å; Y148-I154 HydrophobicContact CG-CB 4.44Å; Y148-V176 HydrophobicContact CD1-CG2 3.55Å; Y148-V176 HydrophobicContact CD2-CG2 4.05Å; Y148-V176 HydrophobicContact CE1-CG2 3.43Å; Y148-V176 VanDerWaalsContact CE1-CG2 3.43Å; Y148-V176 HydrophobicContact CE2-CG2 3.95Å; Y148-V176 HydrophobicContact CG-CG2 3.85Å
149	A	89.4	Confident	89.4	Confident	13 Å²	13	53 Å²	53	11%	0.107	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-22.7	176.6	0	0	0	0	0	113.6	V84 L85 C88 L145 V146 Q147	V84-A149 HydrophobicContact CG1-CB 4.23Å; L85-A149 HydrophobicContact CD2-CB 4.24Å; C88-A149 HydrophobicContact CB-CB 4.08Å; L145-A149 PolarHBondContact O-N 2.86Å; V146-A149 WeakPolarHBondContact O-CB 3.3Å; V146-A149 PolarHBondContact O-N 3.07Å; V146-A149 VanDerWaalsContact O-N 3.16Å; Q147-A149 VanDerWaalsContact C-N 3.26Å; Q147-A149 PolarHBondContact O-N 2.92Å
150	Y	89.1	Confident	89.5	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.027	30%	0.303	C	S	.	.	H	α-helix	trans	-101.9	-31.7	176.9	-68.7	-97.5	0	0	0	113.7	M57 N58 R61 H81 V84 V146 Q147 Y148	M57-Y150 HydrophobicContact CB-CD1 4.19Å; M57-Y150 HydrophobicContact CB-CE1 4.21Å; N58-Y150 HydrophobicContact CB-CD1 4.11Å; N58-Y150 HydrophobicContact CB-CG 4.25Å; R61-Y150 HydrophobicContact CB-CE1 4.37Å; H81-Y150 WeakPolarHBondContact CB-OH 3.23Å; H81-Y150 PolarHBondContact N-OH 3.25Å; H81-Y150 AromaticContact ND1-CE1 3.58Å; H81-Y150 AromaticContact ND1-CZ 3.66Å; H81-Y150 PolarHBondContact ND1-OH 3.29Å; V84-Y150 HydrophobicContact CB-CE1 4.03Å; V84-Y150 HydrophobicContact CB-CE2 4.35Å; V84-Y150 HydrophobicContact CG1-CD1 4.08Å; V84-Y150 HydrophobicContact CG1-CD2 4.08Å; V84-Y150 HydrophobicContact CG1-CE1 3.8Å; V84-Y150 HydrophobicContact CG1-CE2 3.77Å; V84-Y150 HydrophobicContact CG1-CG 4.21Å; V84-Y150 HydrophobicContact CG2-CD1 4.48Å; V84-Y150 HydrophobicContact CG2-CE1 3.77Å; V146-Y150 HydrophobicContact CG1-CE2 4.15Å; V146-Y150 VanDerWaalsContact O-CD2 3.22Å; V146-Y150 WeakPolarHBondContact O-CD2 3.07Å; Q147-Y150 PolarHBondContact O-N 2.92Å; Y148-Y150 PolarHBondContact O-N 3.22Å; Y148-Y150 VanDerWaalsContact O-N 3.12Å
151	T	88.1	Confident	89.5	Confident	41 Å²	41	48.3 Å²	48.3	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-98.8	-20.1	-175.8	57.4	0	0	0	0	114	Q147 Y148 E153	Q147-T151 HydrophobicContact CG-CG2 4.22Å; Q147-T151 PolarHBondContact O-N 3.41Å; Q147-T151 PolarHBondContact O-OG1 3.2Å; Q147-T151 VanDerWaalsContact O-OG1 3.07Å; Y148-T151 PolarHBondContact O-N 3.22Å; T151-E153 PolarHBondContact O-N 3.07Å; T151-E153 PolarHBondContact OG1-N 2.92Å; T151-E153 PolarHBondContact OG1-O 3.43Å
152	A	85.8	Confident	89.4	Confident	77 Å²	77	55.2 Å²	55.2	64%	0.636	32%	0.316	S	S	*	.	S	Bend	trans	56.6	17.2	-166.5	0	0	0	0	0	114.3	Y148	Y148-A152 VanDerWaalsContact O-CA 3.3Å; Y148-A152 WeakPolarHBondContact O-CA 3.49Å; Y148-A152 PolarHBondContact O-N 2.95Å
153	E	87.7	Confident	89.4	Confident	152 Å²	152	57.8 Å²	57.8	71%	0.71	33%	0.331	S	S	*	.			trans	-123.1	133.4	-179.2	-71.5	-177.2	174.2	0	0	110.3	T151	T151-E153 PolarHBondContact O-N 3.07Å; T151-E153 PolarHBondContact OG1-N 2.92Å; T151-E153 PolarHBondContact OG1-O 3.43Å
154	I	92.1	Very high	89.4	Confident	44 Å²	44	54.5 Å²	54.5	23%	0.226	32%	0.316	C	S	.	.			trans	-143.2	139.4	175	-166	159	0	0	0	110.5	Q144 L145 Y148 V156 L164 V176	Q144-I154 HydrophobicContact CB-CD1 4.33Å; L145-I154 HydrophobicContact CD2-CD1 4.1Å; Y148-I154 HydrophobicContact CD2-CB 3.9Å; Y148-I154 HydrophobicContact CD2-CG2 4Å; Y148-I154 HydrophobicContact CE2-CG2 4.34Å; Y148-I154 HydrophobicContact CG-CB 4.44Å; I154-V156 HydrophobicContact CG2-CG2 4.48Å; I154-L164 HydrophobicContact CD1-CD1 3.76Å; I154-L164 HydrophobicContact CD1-CD2 3.72Å; I154-L164 HydrophobicContact CD1-CG 4.3Å; I154-L164 HydrophobicContact CG1-CD2 4.22Å; I154-V176 HydrophobicContact CD1-CG1 3.86Å; I154-V176 HydrophobicContact CD1-CG2 4.39Å; I154-V176 HydrophobicContact CG2-CG1 4.37Å; I154-V176 HydrophobicContact CG2-CG2 4.28Å
155	V	90.6	Very high	89.4	Confident	123 Å²	123	51.8 Å²	51.8	75%	0.745	30%	0.303	S	S	*	.			trans	-100.8	119.6	176.8	-179	0	0	0	0	108.1	N160	V155-N160 PolarHBondContact O-ND2 3.24Å
156	V	91.4	Very high	89.1	Confident	29 Å²	29	53.2 Å²	53.2	18%	0.176	31%	0.313	C	S	.	.			trans	-105.4	129.9	176.4	-174.3	0	0	0	0	108.7	I154 V161 L164 F183	I154-V156 HydrophobicContact CG2-CG2 4.48Å; V156-V161 HydrophobicContact CG1-CB 4.09Å; V156-V161 HydrophobicContact CG1-CG2 4.05Å; V156-L164 HydrophobicContact CG2-CD2 4.04Å; V156-F183 HydrophobicContact CG1-CB 3.91Å; V156-F183 HydrophobicContact CG1-CD1 4.03Å; V156-F183 HydrophobicContact CG1-CG 3.92Å
157	G	90	Very high	89.1	Confident	23 Å²	23	53.3 Å²	53.3	24%	0.237	31%	0.314	C	S	.	.			trans	-149.1	-178.7	176.6	0	0	0	0	0	111.9	G159 N160 V161	G157-G159 VanDerWaalsContact C-N 3.31Å; G157-G159 PolarHBondContact O-N 2.97Å; G157-N160 PolarHBondContact N-OD1 2.96Å; G157-N160 PolarHBondContact O-N 3.45Å; G157-N160 PolarHBondContact O-OD1 2.87Å; G157-V161 WeakPolarHBondContact O-CB 3.39Å; G157-V161 PolarHBondContact O-N 3.24Å
158	E	85.8	Confident	89	Confident	148 Å²	148	50.3 Å²	50.3	69%	0.692	30%	0.3	S	S	*	.	H	α-helix	trans	-60.7	-39.2	-174.7	-63	175.7	-173	0	0	112.8	N160 F183	E158-N160 VanDerWaalsContact C-N 3.35Å; E158-N160 PolarHBondContact O-N 2.91Å; E158-F183 HydrophobicContact CG-CE1 4.42Å; E158-F183 HydrophobicContact CG-CZ 3.97Å
159	G	86.6	Confident	88.8	Confident	85 Å²	85	49.1 Å²	49.1	88%	0.876	30%	0.299	S	S	*	.	H	α-helix	trans	-76.3	-14.3	-176.4	0	0	0	0	0	115.5	G157	G157-G159 VanDerWaalsContact C-N 3.31Å; G157-G159 PolarHBondContact O-N 2.97Å
160	N	90.4	Very high	88.5	Confident	23 Å²	23	50.8 Å²	50.8	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-121.4	-18.3	-178.3	73.1	-13	0	0	0	114.5	Q144 V155 G157 E158 Q162 T163 L164	Q144-N160 PolarHBondContact OE1-ND2 3.32Å; Q144-N160 VanDerWaalsContact OE1-ND2 3.07Å; V155-N160 PolarHBondContact O-ND2 3.24Å; G157-N160 PolarHBondContact N-OD1 2.96Å; G157-N160 PolarHBondContact O-N 3.45Å; G157-N160 PolarHBondContact O-OD1 2.87Å; E158-N160 VanDerWaalsContact C-N 3.35Å; E158-N160 PolarHBondContact O-N 2.91Å; N160-Q162 VanDerWaalsContact C-N 3.26Å; N160-Q162 PolarHBondContact O-N 2.84Å; N160-T163 PolarHBondContact O-N 3.39Å; N160-T163 VanDerWaalsContact O-N 3.17Å; N160-T163 PolarHBondContact O-OG1 3.29Å; N160-L164 WeakPolarHBondContact O-CB 3.22Å; N160-L164 PolarHBondContact O-N 3.31Å
161	V	89.3	Confident	88.3	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-34.8	-174.7	67.9	0	0	0	0	113.3	V156 G157 T163 L165 C180 F183 L184	V156-V161 HydrophobicContact CG1-CB 4.09Å; V156-V161 HydrophobicContact CG1-CG2 4.05Å; G157-V161 WeakPolarHBondContact O-CB 3.39Å; G157-V161 PolarHBondContact O-N 3.24Å; V161-T163 PolarHBondContact O-N 3.44Å; V161-L165 WeakPolarHBondContact O-CB 3.37Å; V161-L165 PolarHBondContact O-N 2.9Å; V161-C180 HydrophobicContact CG2-CB 4.07Å; V161-F183 HydrophobicContact CB-CD1 4.21Å; V161-F183 HydrophobicContact CB-CE1 4.41Å; V161-F183 HydrophobicContact CG1-CD1 4.34Å; V161-F183 HydrophobicContact CG1-CE1 4.18Å; V161-F183 HydrophobicContact CG2-CD1 4.12Å; V161-L184 HydrophobicContact CG1-CD2 4.05Å; V161-L184 HydrophobicContact CG2-CD1 4.11Å; V161-L184 HydrophobicContact CG2-CD2 3.97Å; V161-L184 HydrophobicContact CG2-CG 3.87Å
162	Q	87.4	Confident	88.2	Confident	145 Å²	145	51.5 Å²	51.5	68%	0.678	31%	0.306	S	S	*	.	H	α-helix	trans	-66.6	-34.2	179.9	-68.3	-176.4	-7.8	0	0	112.9	N160 P166	N160-Q162 VanDerWaalsContact C-N 3.26Å; N160-Q162 PolarHBondContact O-N 2.84Å; Q162-P166 WeakPolarHBondContact O-CD 3.37Å; Q162-P166 WeakPolarHBondContact O-CG 3.39Å
163	T	90.1	Very high	88.3	Confident	54 Å²	54	48.3 Å²	48.3	33%	0.331	28%	0.279	S	S	.	.	H	α-helix	trans	-92.8	-28	177.6	56	0	0	0	0	112.3	D138 N160 V161 A167	D138-T163 HydrophobicContact CB-CG2 4.04Å; N160-T163 PolarHBondContact O-N 3.39Å; N160-T163 VanDerWaalsContact O-N 3.17Å; N160-T163 PolarHBondContact O-OG1 3.29Å; V161-T163 PolarHBondContact O-N 3.44Å; T163-A167 WeakPolarHBondContact O-CB 3.49Å
164	L	91.3	Very high	88.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-77.9	-42.4	-176.9	-173.5	65.7	0	0	0	113.1	A141 L145 I154 V156 N160 A167 A168 V176	A141-L164 HydrophobicContact CB-CD1 4.49Å; L145-L164 HydrophobicContact CD1-CD1 4.34Å; L145-L164 HydrophobicContact CD2-CD1 3.59Å; L145-L164 HydrophobicContact CG-CD1 3.79Å; I154-L164 HydrophobicContact CD1-CD1 3.76Å; I154-L164 HydrophobicContact CD1-CD2 3.72Å; I154-L164 HydrophobicContact CD1-CG 4.3Å; I154-L164 HydrophobicContact CG1-CD2 4.22Å; V156-L164 HydrophobicContact CG2-CD2 4.04Å; N160-L164 WeakPolarHBondContact O-CB 3.22Å; N160-L164 PolarHBondContact O-N 3.31Å; L164-A167 PolarHBondContact O-N 2.86Å; L164-A168 VanDerWaalsContact O-CB 3.28Å; L164-A168 WeakPolarHBondContact O-CB 3.37Å; L164-A168 PolarHBondContact O-N 3.47Å; L164-V176 HydrophobicContact CD1-CG1 4.4Å; L164-V176 HydrophobicContact CD2-CG1 4.16Å; L164-V176 HydrophobicContact CG-CG1 4.14Å
165	L	88.9	Confident	88.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-46.8	-180	-175.9	76.3	0	0	0	112.6	V161 A167 A168 S169 R177 C180 L184 F199	V161-L165 WeakPolarHBondContact O-CB 3.37Å; V161-L165 PolarHBondContact O-N 2.9Å; L165-A167 VanDerWaalsContact C-N 3.34Å; L165-A167 PolarHBondContact O-N 3.37Å; L165-A168 PolarHBondContact O-N 3.42Å; L165-S169 WeakPolarHBondContact O-CB 3.28Å; L165-S169 PolarHBondContact O-N 3.29Å; L165-R177 HydrophobicContact CD1-CB 4.41Å; L165-R177 HydrophobicContact CD1-CG 3.76Å; L165-C180 HydrophobicContact CB-CB 4.11Å; L165-C180 HydrophobicContact CD1-CB 3.47Å; L165-C180 VanDerWaalsContact CD1-CB 3.47Å; L165-C180 HydrophobicContact CG-CB 4.36Å; L165-L184 HydrophobicContact CD2-CD1 4.22Å; L165-F199 HydrophobicContact CB-CE1 4Å; L165-F199 HydrophobicContact CB-CZ 4.09Å; L165-F199 HydrophobicContact CD2-CD1 3.93Å; L165-F199 HydrophobicContact CD2-CE1 3.28Å; L165-F199 HydrophobicContact CD2-CZ 4.03Å; L165-F199 HydrophobicContact CG-CE1 4.21Å
166	P	86.8	Confident	88	Confident	34 Å²	34	39 Å²	39	22%	0.221	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-43.8	178.2	-21.9	34.9	0	0	0	111.5	Q162 S169 L170 F199 H203	Q162-P166 WeakPolarHBondContact O-CD 3.37Å; Q162-P166 WeakPolarHBondContact O-CG 3.39Å; P166-S169 PolarHBondContact O-N 2.89Å; P166-L170 WeakPolarHBondContact O-CB 3.29Å; P166-L170 PolarHBondContact O-N 3.32Å; P166-F199 HydrophobicContact CG-CE2 4.09Å; P166-F199 HydrophobicContact CG-CZ 3.97Å; P166-H203 VanDerWaalsContact CB-CE1 3.48Å; P166-H203 WeakPolarHBondContact CB-CE1 3.4Å; P166-H203 VanDerWaalsContact CG-CE1 3.47Å; P166-H203 WeakPolarHBondContact CG-CE1 3.47Å; P166-H203 WeakPolarHBondContact CG-NE2 3.28Å
167	A	88.2	Confident	87.9	Confident	3 Å²	3	41.3 Å²	41.3	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-43.5	178.2	0	0	0	0	0	112	I137 A141 L145 T163 L164 L165 L170 L171	I137-A167 HydrophobicContact CG2-CB 3.79Å; A141-A167 HydrophobicContact CB-CB 4.11Å; L145-A167 HydrophobicContact CD1-CB 3.55Å; T163-A167 WeakPolarHBondContact O-CB 3.49Å; L164-A167 PolarHBondContact O-N 2.86Å; L165-A167 VanDerWaalsContact C-N 3.34Å; L165-A167 PolarHBondContact O-N 3.37Å; A167-L170 PolarHBondContact O-N 2.97Å; A167-L171 WeakPolarHBondContact O-CB 3.46Å; A167-L171 WeakPolarHBondContact O-CG 3.07Å; A167-L171 PolarHBondContact O-N 3.19Å
168	A	89.1	Confident	87.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-38.1	176.4	0	0	0	0	0	112.3	L145 L164 L165 Q172 L173 V176	L145-A168 HydrophobicContact CD2-CB 4.18Å; L164-A168 VanDerWaalsContact O-CB 3.28Å; L164-A168 WeakPolarHBondContact O-CB 3.37Å; L164-A168 PolarHBondContact O-N 3.47Å; L165-A168 PolarHBondContact O-N 3.42Å; A168-Q172 PolarHBondContact O-N 3.39Å; A168-L173 HydrophobicContact CB-CB 4.44Å; A168-L173 PolarHBondContact O-N 2.81Å; A168-V176 HydrophobicContact CB-CB 4.02Å; A168-V176 HydrophobicContact CB-CG1 3.9Å
169	S	85.6	Confident	88.1	Confident	25 Å²	25	38.3 Å²	38.3	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-45.2	176.3	-167.6	0	0	0	0	111.3	L165 P166 Q172	L165-S169 WeakPolarHBondContact O-CB 3.28Å; L165-S169 PolarHBondContact O-N 3.29Å; P166-S169 PolarHBondContact O-N 2.89Å; S169-Q172 PolarHBondContact O-N 3.04Å; S169-Q172 VanDerWaalsContact O-N 3.12Å
170	L	84.2	Confident	88.3	Confident	47 Å²	47	34.3 Å²	34.3	25%	0.246	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-46.1	177.1	-177.7	65.7	0	0	0	111.9	I137 P166 A167 Q172	I137-L170 HydrophobicContact CD1-CD2 3.66Å; I137-L170 HydrophobicContact CG1-CD2 3.69Å; P166-L170 WeakPolarHBondContact O-CB 3.29Å; P166-L170 PolarHBondContact O-N 3.32Å; A167-L170 PolarHBondContact O-N 2.97Å; L170-Q172 PolarHBondContact O-N 2.83Å
171	L	85.3	Confident	88.3	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	3.6	177.4	-61.2	-179.4	0	0	0	113.3	S89 Y91 F92 I137 L142 L145 A167 L173	S89-L171 WeakPolarHBondContact CB-O 3.22Å; S89-L171 PolarHBondContact OG-O 2.95Å; Y91-L171 HydrophobicContact CD1-CD2 3.63Å; Y91-L171 HydrophobicContact CE1-CD2 3.91Å; Y91-L171 HydrophobicContact CG-CD2 4.21Å; F92-L171 HydrophobicContact CE1-CD2 4.23Å; F92-L171 HydrophobicContact CE2-CD1 4.02Å; F92-L171 HydrophobicContact CE2-CD2 3.84Å; F92-L171 HydrophobicContact CE2-CG 4.43Å; F92-L171 HydrophobicContact CZ-CD1 4.18Å; F92-L171 HydrophobicContact CZ-CD2 3.6Å; I137-L171 HydrophobicContact CD1-CD2 4.46Å; L142-L171 HydrophobicContact CD1-CD1 3.7Å; L145-L171 HydrophobicContact CB-CD1 4.46Å; L145-L171 HydrophobicContact CD1-CD1 3.84Å; A167-L171 WeakPolarHBondContact O-CB 3.46Å; A167-L171 WeakPolarHBondContact O-CG 3.07Å; A167-L171 PolarHBondContact O-N 3.19Å; L171-L173 HydrophobicContact CB-CD1 4.19Å; L171-L173 HydrophobicContact CB-CG 4.17Å; L171-L173 PolarHBondContact O-N 3.04Å
172	Q	85.4	Confident	88.4	Confident	62 Å²	62	40.9 Å²	40.9	29%	0.29	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	33.7	179.7	-56.5	-175.5	15.3	0	0	114.2	P90 A168 S169 L170 N174	P90-Q172 HydrophobicContact CB-CB 4.49Å; P90-Q172 HydrophobicContact CG-CB 4.34Å; A168-Q172 PolarHBondContact O-N 3.39Å; S169-Q172 PolarHBondContact O-N 3.04Å; S169-Q172 VanDerWaalsContact O-N 3.12Å; L170-Q172 PolarHBondContact O-N 2.83Å; Q172-N174 VanDerWaalsContact C-N 3.33Å; Q172-N174 PolarHBondContact O-N 3.17Å; Q172-N174 VanDerWaalsContact O-N 3.08Å
173	L	88.1	Confident	88.6	Confident	11 Å²	11	36 Å²	36	6%	0.058	20%	0.198	C	C	.	.			trans	-84	76.4	175.9	-68	173.2	0	0	0	109.9	C88 L145 A168 L171 G175 V176 R177	C88-L173 WeakPolarHBondContact O-CD2 3.37Å; C88-L173 VanDerWaalsContact SG-CD2 3.57Å; L145-L173 HydrophobicContact CB-CD1 4Å; L145-L173 HydrophobicContact CD1-CD1 4.35Å; L145-L173 HydrophobicContact CD2-CD1 3.8Å; L145-L173 HydrophobicContact CG-CD1 4.26Å; A168-L173 HydrophobicContact CB-CB 4.44Å; A168-L173 PolarHBondContact O-N 2.81Å; L171-L173 HydrophobicContact CB-CD1 4.19Å; L171-L173 HydrophobicContact CB-CG 4.17Å; L171-L173 PolarHBondContact O-N 3.04Å; L173-G175 VanDerWaalsContact C-N 3.27Å; L173-G175 PolarHBondContact O-N 3.15Å; L173-V176 HydrophobicContact CB-CB 4.38Å; L173-V176 HydrophobicContact CB-CG2 4.33Å; L173-V176 PolarHBondContact O-N 3.33Å; L173-V176 VanDerWaalsContact O-N 3.11Å; L173-R177 PolarHBondContact O-N 2.91Å
174	N	87	Confident	88.6	Confident	78 Å²	78	34.1 Å²	34.1	42%	0.417	19%	0.186	S	C	.	.	H	α-helix	trans	-55	-38.7	-174.2	-66.2	-39	0	0	0	113.2	Q172 V176 R177 D178	Q172-N174 VanDerWaalsContact C-N 3.33Å; Q172-N174 PolarHBondContact O-N 3.17Å; Q172-N174 VanDerWaalsContact O-N 3.08Å; N174-V176 PolarHBondContact O-N 3.42Å; N174-R177 PolarHBondContact O-N 3.21Å; N174-R177 PolarHBondContact OD1-NH1 3.49Å; N174-R177 PolarHBondContact OD1-NH2 3.24Å; N174-D178 WeakPolarHBondContact O-CB 3.45Å; N174-D178 PolarHBondContact O-N 3.24Å
175	G	87.8	Confident	88.6	Confident	43 Å²	43	37.3 Å²	37.3	44%	0.443	20%	0.203	S	C	.	.	H	α-helix	trans	-61.4	-40.5	178.7	0	0	0	0	0	113.5	L173 A179	L173-G175 VanDerWaalsContact C-N 3.27Å; L173-G175 PolarHBondContact O-N 3.15Å; G175-A179 WeakPolarHBondContact O-CB 3.44Å; G175-A179 PolarHBondContact O-N 3.32Å
176	V	90.1	Very high	88.7	Confident	1 Å²	1	41 Å²	41	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-73.6	-42.5	175.9	-178	0	0	0	0	110.5	L145 Y148 I154 L164 A168 L173 N174 D178 A179 C180	L145-V176 HydrophobicContact CD2-CB 4.23Å; L145-V176 HydrophobicContact CD2-CG1 3.81Å; L145-V176 HydrophobicContact CD2-CG2 4.1Å; Y148-V176 HydrophobicContact CD1-CG2 3.55Å; Y148-V176 HydrophobicContact CD2-CG2 4.05Å; Y148-V176 HydrophobicContact CE1-CG2 3.43Å; Y148-V176 VanDerWaalsContact CE1-CG2 3.43Å; Y148-V176 HydrophobicContact CE2-CG2 3.95Å; Y148-V176 HydrophobicContact CG-CG2 3.85Å; I154-V176 HydrophobicContact CD1-CG1 3.86Å; I154-V176 HydrophobicContact CD1-CG2 4.39Å; I154-V176 HydrophobicContact CG2-CG1 4.37Å; I154-V176 HydrophobicContact CG2-CG2 4.28Å; L164-V176 HydrophobicContact CD1-CG1 4.4Å; L164-V176 HydrophobicContact CD2-CG1 4.16Å; L164-V176 HydrophobicContact CG-CG1 4.14Å; A168-V176 HydrophobicContact CB-CB 4.02Å; A168-V176 HydrophobicContact CB-CG1 3.9Å; L173-V176 HydrophobicContact CB-CB 4.38Å; L173-V176 HydrophobicContact CB-CG2 4.33Å; L173-V176 PolarHBondContact O-N 3.33Å; L173-V176 VanDerWaalsContact O-N 3.11Å; N174-V176 PolarHBondContact O-N 3.42Å; V176-D178 VanDerWaalsContact C-N 3.31Å; V176-D178 PolarHBondContact O-N 3.07Å; V176-A179 WeakPolarHBondContact O-CB 3.47Å; V176-A179 PolarHBondContact O-N 3.31Å; V176-C180 PolarHBondContact O-N 3.14Å; V176-C180 PolarHBondContact O-SG 3.34Å; V176-C180 VanDerWaalsContact O-SG 3.39Å
177	R	88.8	Confident	88.8	Confident	79 Å²	79	43.4 Å²	43.4	30%	0.298	24%	0.237	S	C	.	.	H	α-helix	trans	-55.2	-48.6	175.9	-175.1	-165.4	65.7	-161.2	-5.7	111.1	L165 L173 N174 A179 C180 C181	L165-R177 HydrophobicContact CD1-CB 4.41Å; L165-R177 HydrophobicContact CD1-CG 3.76Å; L173-R177 PolarHBondContact O-N 2.91Å; N174-R177 PolarHBondContact O-N 3.21Å; N174-R177 PolarHBondContact OD1-NH1 3.49Å; N174-R177 PolarHBondContact OD1-NH2 3.24Å; R177-A179 VanDerWaalsContact C-N 3.32Å; R177-A179 PolarHBondContact O-N 3.36Å; R177-C180 WeakPolarHBondContact O-CB 3.4Å; R177-C180 PolarHBondContact O-N 3.38Å; R177-C181 PolarHBondContact O-N 3.29Å; R177-C181 PolarHBondContact O-SG 3.08Å; R177-C181 VanDerWaalsContact O-SG 3.32Å
178	D	89.4	Confident	89	Confident	70 Å²	70	44.7 Å²	44.7	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-67.7	-34	-178.4	-61.4	-9.1	0	0	0	111.4	N174 V176 K182	N174-D178 WeakPolarHBondContact O-CB 3.45Å; N174-D178 PolarHBondContact O-N 3.24Å; V176-D178 VanDerWaalsContact C-N 3.31Å; V176-D178 PolarHBondContact O-N 3.07Å; D178-K182 WeakPolarHBondContact O-CB 3.26Å; D178-K182 VanDerWaalsContact O-CG 3.29Å; D178-K182 WeakPolarHBondContact O-CG 3.42Å; D178-K182 PolarHBondContact O-N 3.39Å
179	A	90.3	Very high	89.1	Confident	38 Å²	38	48.1 Å²	48.1	31%	0.314	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-44.4	172.1	0	0	0	0	0	112.1	G175 V176 R177 K182 F183	G175-A179 WeakPolarHBondContact O-CB 3.44Å; G175-A179 PolarHBondContact O-N 3.32Å; V176-A179 WeakPolarHBondContact O-CB 3.47Å; V176-A179 PolarHBondContact O-N 3.31Å; R177-A179 VanDerWaalsContact C-N 3.32Å; R177-A179 PolarHBondContact O-N 3.36Å; A179-K182 PolarHBondContact O-N 3.26Å; A179-F183 PolarHBondContact O-N 3.07Å
180	C	91	Very high	89.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-44	173.7	-70	0	0	0	0	111.9	V161 L165 V176 R177 K182 F183 L184	V161-C180 HydrophobicContact CG2-CB 4.07Å; L165-C180 HydrophobicContact CB-CB 4.11Å; L165-C180 HydrophobicContact CD1-CB 3.47Å; L165-C180 VanDerWaalsContact CD1-CB 3.47Å; L165-C180 HydrophobicContact CG-CB 4.36Å; V176-C180 PolarHBondContact O-N 3.14Å; V176-C180 PolarHBondContact O-SG 3.34Å; V176-C180 VanDerWaalsContact O-SG 3.39Å; R177-C180 WeakPolarHBondContact O-CB 3.4Å; R177-C180 PolarHBondContact O-N 3.38Å; C180-K182 PolarHBondContact O-N 3.48Å; C180-F183 PolarHBondContact O-N 3.49Å; C180-L184 WeakPolarHBondContact O-CG 3.48Å; C180-L184 PolarHBondContact O-N 2.92Å
181	C	90.1	Very high	89.7	Confident	18 Å²	18	48.5 Å²	48.5	12%	0.122	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-43	175.4	-68.4	0	0	0	0	111.9	R177 F183 L184 L185	R177-C181 PolarHBondContact O-N 3.29Å; R177-C181 PolarHBondContact O-SG 3.08Å; R177-C181 VanDerWaalsContact O-SG 3.32Å; C181-F183 VanDerWaalsContact C-N 3.35Å; C181-F183 PolarHBondContact O-N 3.48Å; C181-L184 PolarHBondContact O-N 2.98Å; C181-L185 VanDerWaalsContact O-CG 3.26Å; C181-L185 WeakPolarHBondContact O-CG 3.1Å; C181-L185 PolarHBondContact O-N 3.29Å
182	K	90.8	Very high	90	Very high	150 Å²	150	50.6 Å²	50.6	65%	0.652	28%	0.279	S	S	*	.	H	α-helix	trans	-61.6	-41.3	175.5	-76.8	172.4	-176.5	174.4	0	112.4	D178 A179 C180 L185 S186	D178-K182 WeakPolarHBondContact O-CB 3.26Å; D178-K182 VanDerWaalsContact O-CG 3.29Å; D178-K182 WeakPolarHBondContact O-CG 3.42Å; D178-K182 PolarHBondContact O-N 3.39Å; A179-K182 PolarHBondContact O-N 3.26Å; C180-K182 PolarHBondContact O-N 3.48Å; K182-L185 PolarHBondContact O-N 2.67Å; K182-S186 PolarHBondContact O-N 3.42Å; K182-S186 VanDerWaalsContact O-N 3.1Å
183	F	92.3	Very high	90.3	Very high	43 Å²	43	47.7 Å²	47.7	19%	0.189	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-49.9	175.1	178.2	-98.8	0	0	0	111	V156 E158 V161 A179 C180 C181 L185 S186 Q187	V156-F183 HydrophobicContact CG1-CB 3.91Å; V156-F183 HydrophobicContact CG1-CD1 4.03Å; V156-F183 HydrophobicContact CG1-CG 3.92Å; E158-F183 HydrophobicContact CG-CE1 4.42Å; E158-F183 HydrophobicContact CG-CZ 3.97Å; V161-F183 HydrophobicContact CB-CD1 4.21Å; V161-F183 HydrophobicContact CB-CE1 4.41Å; V161-F183 HydrophobicContact CG1-CD1 4.34Å; V161-F183 HydrophobicContact CG1-CE1 4.18Å; V161-F183 HydrophobicContact CG2-CD1 4.12Å; A179-F183 PolarHBondContact O-N 3.07Å; C180-F183 PolarHBondContact O-N 3.49Å; C181-F183 VanDerWaalsContact C-N 3.35Å; C181-F183 PolarHBondContact O-N 3.48Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 3.1Å; F183-S186 PolarHBondContact O-N 3.07Å; F183-S186 VanDerWaalsContact O-N 3.07Å; F183-S186 PolarHBondContact O-OG 3.28Å; F183-Q187 HydrophobicContact CE1-CG 4.2Å; F183-Q187 HydrophobicContact CE2-CG 4.24Å; F183-Q187 HydrophobicContact CZ-CG 3.98Å; F183-Q187 PolarHBondContact O-N 3.18Å
184	L	90.8	Very high	90.5	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.073	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-39.3	178.3	-69.2	172.3	0	0	0	112.6	V161 L165 C180 C181 S186 Q187 L188 I196 F199 L208	V161-L184 HydrophobicContact CG1-CD2 4.05Å; V161-L184 HydrophobicContact CG2-CD1 4.11Å; V161-L184 HydrophobicContact CG2-CD2 3.97Å; V161-L184 HydrophobicContact CG2-CG 3.87Å; L165-L184 HydrophobicContact CD2-CD1 4.22Å; C180-L184 WeakPolarHBondContact O-CG 3.48Å; C180-L184 PolarHBondContact O-N 2.92Å; C181-L184 PolarHBondContact O-N 2.98Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 3.44Å; L184-Q187 PolarHBondContact O-N 3.4Å; L184-L188 PolarHBondContact O-N 2.85Å; L184-I196 HydrophobicContact CB-CG2 4.38Å; L184-I196 HydrophobicContact CD2-CD1 4.42Å; L184-I196 HydrophobicContact CD2-CG1 4.42Å; L184-F199 HydrophobicContact CD1-CD1 4.14Å; L184-F199 HydrophobicContact CD1-CE1 4.09Å; L184-L208 HydrophobicContact CB-CD1 4.03Å; L184-L208 HydrophobicContact CB-CD2 4.28Å; L184-L208 HydrophobicContact CD1-CD2 3.65Å
185	L	90.6	Very high	90.7	Very high	66 Å²	66	45.6 Å²	45.6	35%	0.346	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-36.8	174.7	-72.5	172.1	0	0	0	112.5	C181 K182 F183 Q187 L188 L208 S211	C181-L185 VanDerWaalsContact O-CG 3.26Å; C181-L185 WeakPolarHBondContact O-CG 3.1Å; C181-L185 PolarHBondContact O-N 3.29Å; K182-L185 PolarHBondContact O-N 2.67Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 3.1Å; L185-Q187 PolarHBondContact O-N 3.37Å; L185-L188 HydrophobicContact CD2-CD1 3.98Å; L185-L208 HydrophobicContact CD2-CD1 3.67Å; L185-L208 HydrophobicContact CG-CD1 3.79Å; L185-S211 VanDerWaalsContact CD2-CB 3.43Å
186	S	90.3	Very high	90.8	Very high	79 Å²	79	44.3 Å²	44.3	55%	0.552	25%	0.246	S	C	*	.	H	α-helix	trans	-72.9	-15.1	178.2	75	0	0	0	0	114.1	K182 F183 L184	K182-S186 PolarHBondContact O-N 3.42Å; K182-S186 VanDerWaalsContact O-N 3.1Å; F183-S186 PolarHBondContact O-N 3.07Å; F183-S186 VanDerWaalsContact O-N 3.07Å; F183-S186 PolarHBondContact O-OG 3.28Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 3.44Å
187	Q	90.4	Very high	90.9	Very high	83 Å²	83	45.7 Å²	45.7	39%	0.388	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	14.1	-177.5	-61.9	-57	-53	0	0	112.7	F183 L184 L185 D189 N192	F183-Q187 HydrophobicContact CE1-CG 4.2Å; F183-Q187 HydrophobicContact CE2-CG 4.24Å; F183-Q187 HydrophobicContact CZ-CG 3.98Å; F183-Q187 PolarHBondContact O-N 3.18Å; L184-Q187 PolarHBondContact O-N 3.4Å; L185-Q187 PolarHBondContact O-N 3.37Å; Q187-D189 PolarHBondContact O-N 3.21Å; Q187-N192 PolarHBondContact O-ND2 3.49Å; Q187-N192 PolarHBondContact O-OD1 3.14Å
188	L	91.6	Very high	90.8	Very high	31 Å²	31	43.2 Å²	43.2	16%	0.162	25%	0.25	C	C	.	.			trans	-63.5	123.4	176.2	-78.3	171.9	0	0	0	110.5	L184 L185 C193 I196 A212 Y215	L184-L188 PolarHBondContact O-N 2.85Å; L185-L188 HydrophobicContact CD2-CD1 3.98Å; L188-C193 HydrophobicContact CD2-CB 4.25Å; L188-I196 HydrophobicContact CD2-CB 4.36Å; L188-I196 HydrophobicContact CD2-CD1 3.95Å; L188-I196 HydrophobicContact CD2-CG2 4.11Å; L188-A212 HydrophobicContact CD2-CB 4.17Å; L188-Y215 HydrophobicContact CB-CD1 4.48Å; L188-Y215 HydrophobicContact CB-CD2 4.3Å; L188-Y215 HydrophobicContact CB-CE2 4.33Å; L188-Y215 HydrophobicContact CB-CG 4.37Å; L188-Y215 HydrophobicContact CD1-CD2 4.41Å; L188-Y215 HydrophobicContact CD1-CG 4.33Å
189	D	92	Very high	90.7	Very high	71 Å²	71	41.9 Å²	41.9	38%	0.38	24%	0.241	S	C	.	.			trans	-137.4	151.6	178.8	-177.5	-92.9	0	0	0	109.3	Q187 S191 N192 C193	Q187-D189 PolarHBondContact O-N 3.21Å; D189-S191 PolarHBondContact O-N 3.41Å; D189-S191 VanDerWaalsContact O-N 3.08Å; D189-S191 VanDerWaalsContact OD1-CB 3.26Å; D189-S191 WeakPolarHBondContact OD1-CB 3.18Å; D189-S191 PolarHBondContact OD1-N 3.28Å; D189-S191 PolarHBondContact OD1-OG 2.95Å; D189-N192 PolarHBondContact N-OD1 2.91Å; D189-N192 PolarHBondContact O-N 2.99Å; D189-N192 VanDerWaalsContact O-N 3.11Å; D189-N192 PolarHBondContact O-OD1 3.16Å; D189-C193 VanDerWaalsContact O-CB 3.27Å; D189-C193 WeakPolarHBondContact O-CB 3.43Å; D189-C193 PolarHBondContact O-N 3.08Å
190	P	91.2	Very high	90.6	Very high	15 Å²	15	40.1 Å²	40.1	10%	0.097	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.1	177.7	-26.3	36.5	0	0	0	113.7	C193 Y215 E222 V223	P190-C193 PolarHBondContact O-SG 3.29Å; P190-Y215 WeakPolarHBondContact CD-OH 3.27Å; P190-Y215 HydrophobicContact CG-CE1 4.5Å; P190-E222 HydrophobicContact CB-CB 3.88Å; P190-E222 HydrophobicContact CG-CB 4.13Å; P190-E222 WeakPolarHBondContact CG-OE2 3.5Å; P190-V223 HydrophobicContact CB-CG2 4.07Å
191	S	90.8	Very high	90.5	Very high	66 Å²	66	44.8 Å²	44.8	46%	0.462	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-22	180	65.2	0	0	0	0	115.6	D189	D189-S191 PolarHBondContact O-N 3.41Å; D189-S191 VanDerWaalsContact O-N 3.08Å; D189-S191 VanDerWaalsContact OD1-CB 3.26Å; D189-S191 WeakPolarHBondContact OD1-CB 3.18Å; D189-S191 PolarHBondContact OD1-N 3.28Å; D189-S191 PolarHBondContact OD1-OG 2.95Å
192	N	91.1	Very high	90.2	Very high	45 Å²	45	48.9 Å²	48.9	24%	0.241	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-9.2	-173.5	70.9	19.3	0	0	0	114.1	Q187 D189 L194 G195 I196	Q187-N192 PolarHBondContact O-ND2 3.49Å; Q187-N192 PolarHBondContact O-OD1 3.14Å; D189-N192 PolarHBondContact N-OD1 2.91Å; D189-N192 PolarHBondContact O-N 2.99Å; D189-N192 VanDerWaalsContact O-N 3.11Å; D189-N192 PolarHBondContact O-OD1 3.16Å; N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 2.74Å; N192-G195 PolarHBondContact O-N 2.9Å; N192-I196 HydrophobicContact CB-CD1 4.46Å; N192-I196 WeakPolarHBondContact O-CG1 3.45Å; N192-I196 PolarHBondContact O-N 3.31Å; N192-I196 WeakPolarHBondContact OD1-CD1 3.25Å
193	C	92.9	Very high	89.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-29.6	-170.7	62.4	0	0	0	0	113.4	L188 D189 P190 R197 Y215 V216 V223	L188-C193 HydrophobicContact CD2-CB 4.25Å; D189-C193 VanDerWaalsContact O-CB 3.27Å; D189-C193 WeakPolarHBondContact O-CB 3.43Å; D189-C193 PolarHBondContact O-N 3.08Å; P190-C193 PolarHBondContact O-SG 3.29Å; C193-R197 WeakPolarHBondContact O-CB 3.33Å; C193-R197 PolarHBondContact O-N 3.03Å; C193-Y215 HydrophobicContact CB-CD1 3.77Å; C193-Y215 HydrophobicContact CB-CE1 4.19Å; C193-V216 HydrophobicContact CB-CG2 4.02Å; C193-V216 VanDerWaalsContact SG-CG2 3.59Å; C193-V223 WeakPolarHBondContact SG-CG2 3.25Å
194	L	91.9	Very high	89.3	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-73.5	-42.7	176.2	-65.6	171.9	0	0	0	110.7	N192 R197 G198 V216 V223 E228 F229 L232 L240	N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 2.74Å; L194-R197 WeakPolarHBondContact O-CB 3.3Å; L194-R197 PolarHBondContact O-N 3.01Å; L194-G198 PolarHBondContact O-N 3.12Å; L194-V216 HydrophobicContact CD2-CG1 3.91Å; L194-V216 HydrophobicContact CD2-CG2 3.85Å; L194-V223 HydrophobicContact CD1-CG1 3.57Å; L194-V223 HydrophobicContact CD2-CG1 4.13Å; L194-V223 HydrophobicContact CG-CG1 3.74Å; L194-E228 HydrophobicContact CB-CB 4.24Å; L194-E228 WeakPolarHBondContact CB-OE2 3.44Å; L194-E228 HydrophobicContact CD1-CB 4.02Å; L194-F229 HydrophobicContact CD1-CB 3.84Å; L194-F229 HydrophobicContact CD1-CD2 4.3Å; L194-L232 HydrophobicContact CD1-CD1 3.86Å; L194-L232 HydrophobicContact CD1-CG 4.25Å; L194-L232 HydrophobicContact CD2-CD1 4.03Å; L194-L240 HydrophobicContact CD2-CD1 4.15Å
195	G	89.7	Confident	88.9	Confident	37 Å²	37	45.8 Å²	45.8	38%	0.381	27%	0.274	S	S	.	.	H	α-helix	trans	-56.8	-49.9	170.3	0	0	0	0	0	112.5	N192 R197 G198 F199 E228	N192-G195 PolarHBondContact O-N 2.9Å; G195-R197 VanDerWaalsContact C-N 3.32Å; G195-R197 PolarHBondContact O-N 3.4Å; G195-G198 PolarHBondContact O-N 3.36Å; G195-F199 VanDerWaalsContact O-CB 3.28Å; G195-F199 WeakPolarHBondContact O-CB 3.32Å; G195-F199 PolarHBondContact O-N 2.82Å; G195-E228 PolarHBondContact N-OE2 2.88Å
196	I	90.3	Very high	88.7	Confident	16 Å²	16	45.6 Å²	45.6	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-40	177.3	-67	171.9	0	0	0	111.2	L184 L188 N192 F199 A200 L208 A212	L184-I196 HydrophobicContact CB-CG2 4.38Å; L184-I196 HydrophobicContact CD2-CD1 4.42Å; L184-I196 HydrophobicContact CD2-CG1 4.42Å; L188-I196 HydrophobicContact CD2-CB 4.36Å; L188-I196 HydrophobicContact CD2-CD1 3.95Å; L188-I196 HydrophobicContact CD2-CG2 4.11Å; N192-I196 HydrophobicContact CB-CD1 4.46Å; N192-I196 WeakPolarHBondContact O-CG1 3.45Å; N192-I196 PolarHBondContact O-N 3.31Å; N192-I196 WeakPolarHBondContact OD1-CD1 3.25Å; I196-F199 PolarHBondContact O-N 3.38Å; I196-A200 WeakPolarHBondContact O-CB 3.25Å; I196-A200 PolarHBondContact O-N 3.02Å; I196-L208 HydrophobicContact CG2-CD1 4.05Å; I196-L208 HydrophobicContact CG2-CD2 4.33Å; I196-L208 HydrophobicContact CG2-CG 4.28Å; I196-A212 HydrophobicContact CG2-CB 4.31Å
197	R	91.9	Very high	88.6	Confident	30 Å²	30	47.2 Å²	47.2	11%	0.113	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-48.6	175.5	-180	-171.3	165.4	-138.5	-1.3	111.5	C193 L194 G195 F199 A200 D201 L209 A212 H213	C193-R197 WeakPolarHBondContact O-CB 3.33Å; C193-R197 PolarHBondContact O-N 3.03Å; L194-R197 WeakPolarHBondContact O-CB 3.3Å; L194-R197 PolarHBondContact O-N 3.01Å; G195-R197 VanDerWaalsContact C-N 3.32Å; G195-R197 PolarHBondContact O-N 3.4Å; R197-F199 VanDerWaalsContact C-N 3.33Å; R197-F199 PolarHBondContact O-N 3.47Å; R197-A200 PolarHBondContact O-N 3.18Å; R197-D201 PolarHBondContact O-N 3.33Å; R197-L209 HydrophobicContact CG-CD1 3.72Å; R197-L209 VanDerWaalsContact O-CD1 3.29Å; R197-L209 WeakPolarHBondContact O-CD1 3.36Å; R197-A212 HydrophobicContact CB-CB 4.05Å; R197-H213 PolarHBondContact NE-ND1 2.91Å
198	G	87.9	Confident	88.6	Confident	26 Å²	26	43.3 Å²	43.3	27%	0.268	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-37.9	177.9	0	0	0	0	0	112.8	L194 G195 D201 T202	L194-G198 PolarHBondContact O-N 3.12Å; G195-G198 PolarHBondContact O-N 3.36Å; G198-D201 PolarHBondContact O-N 3.42Å; G198-T202 PolarHBondContact O-N 3.03Å; G198-T202 PolarHBondContact O-OG1 3.48Å
199	F	87.1	Confident	88.6	Confident	43 Å²	43	44 Å²	44	19%	0.189	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-44.2	173.9	-174.2	-113.2	0	0	0	111.7	L165 P166 L184 G195 I196 R197 D201 T202 H203	L165-F199 HydrophobicContact CB-CE1 4Å; L165-F199 HydrophobicContact CB-CZ 4.09Å; L165-F199 HydrophobicContact CD2-CD1 3.93Å; L165-F199 HydrophobicContact CD2-CE1 3.28Å; L165-F199 HydrophobicContact CD2-CZ 4.03Å; L165-F199 HydrophobicContact CG-CE1 4.21Å; P166-F199 HydrophobicContact CG-CE2 4.09Å; P166-F199 HydrophobicContact CG-CZ 3.97Å; L184-F199 HydrophobicContact CD1-CD1 4.14Å; L184-F199 HydrophobicContact CD1-CE1 4.09Å; G195-F199 VanDerWaalsContact O-CB 3.28Å; G195-F199 WeakPolarHBondContact O-CB 3.32Å; G195-F199 PolarHBondContact O-N 2.82Å; I196-F199 PolarHBondContact O-N 3.38Å; R197-F199 VanDerWaalsContact C-N 3.33Å; R197-F199 PolarHBondContact O-N 3.47Å; F199-D201 PolarHBondContact O-N 2.87Å; F199-T202 PolarHBondContact O-N 2.89Å; F199-H203 AromaticContact CD2-CD2 3.58Å; F199-H203 AromaticContact CD2-NE2 3.62Å; F199-H203 AromaticContact CE2-CD2 3.4Å; F199-H203 WeakPolarHBondContact CE2-CD2 3.45Å; F199-H203 AromaticContact CE2-NE2 3.25Å; F199-H203 VanDerWaalsContact CE2-NE2 3.25Å; F199-H203 WeakPolarHBondContact CE2-NE2 3.24Å; F199-H203 AromaticContact CZ-CD2 3.72Å; F199-H203 AromaticContact CZ-NE2 3.91Å; F199-H203 PolarHBondContact O-CD2 3.28Å; F199-H203 PolarHBondContact O-N 3.32Å; F199-H203 VanDerWaalsContact O-N 3.12Å
200	A	88.9	Confident	88.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-38.1	176.6	0	0	0	0	0	112.8	I196 R197 S204 C205 L208 L209	I196-A200 WeakPolarHBondContact O-CB 3.25Å; I196-A200 PolarHBondContact O-N 3.02Å; R197-A200 PolarHBondContact O-N 3.18Å; A200-S204 PolarHBondContact O-N 3Å; A200-S204 VanDerWaalsContact O-N 3.08Å; A200-C205 HydrophobicContact CB-CB 4.32Å; A200-C205 PolarHBondContact O-N 2.87Å; A200-L208 HydrophobicContact CB-CB 4.11Å; A200-L208 HydrophobicContact CB-CD2 3.84Å; A200-L208 HydrophobicContact CB-CG 3.81Å; A200-L209 HydrophobicContact CB-CB 3.93Å; A200-L209 HydrophobicContact CB-CD1 4.36Å
201	D	87.3	Confident	88.5	Confident	98 Å²	98	49 Å²	49	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-46.9	175.5	-166.7	37.9	0	0	0	111	R197 G198 F199 H203 S204 L209	R197-D201 PolarHBondContact O-N 3.33Å; G198-D201 PolarHBondContact O-N 3.42Å; F199-D201 PolarHBondContact O-N 2.87Å; D201-H203 VanDerWaalsContact C-N 3.29Å; D201-H203 PolarHBondContact O-N 3.45Å; D201-S204 PolarHBondContact O-N 2.88Å; D201-S204 VanDerWaalsContact O-N 3.16Å; D201-L209 HydrophobicContact CB-CD1 3.95Å; D201-L209 HydrophobicContact CB-CD2 4.49Å
202	T	85.4	Confident	88.6	Confident	105 Å²	105	45.8 Å²	45.8	64%	0.644	27%	0.267	S	S	*	.	H	α-helix	trans	-59.4	-38.9	179.1	-55.5	0	0	0	0	112.2	G198 F199	G198-T202 PolarHBondContact O-N 3.03Å; G198-T202 PolarHBondContact O-OG1 3.48Å; F199-T202 PolarHBondContact O-N 2.89Å
203	H	82.3	Confident	88.7	Confident	42 Å²	42	46.3 Å²	46.3	19%	0.194	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13.6	-178.9	-60.6	-57.4	0	0	0	114.2	P166 F199 D201 C205	P166-H203 VanDerWaalsContact CB-CE1 3.48Å; P166-H203 WeakPolarHBondContact CB-CE1 3.4Å; P166-H203 VanDerWaalsContact CG-CE1 3.47Å; P166-H203 WeakPolarHBondContact CG-CE1 3.47Å; P166-H203 WeakPolarHBondContact CG-NE2 3.28Å; F199-H203 AromaticContact CD2-CD2 3.58Å; F199-H203 AromaticContact CD2-NE2 3.62Å; F199-H203 AromaticContact CE2-CD2 3.4Å; F199-H203 WeakPolarHBondContact CE2-CD2 3.45Å; F199-H203 AromaticContact CE2-NE2 3.25Å; F199-H203 VanDerWaalsContact CE2-NE2 3.25Å; F199-H203 WeakPolarHBondContact CE2-NE2 3.24Å; F199-H203 AromaticContact CZ-CD2 3.72Å; F199-H203 AromaticContact CZ-NE2 3.91Å; F199-H203 PolarHBondContact O-CD2 3.28Å; F199-H203 PolarHBondContact O-N 3.32Å; F199-H203 VanDerWaalsContact O-N 3.12Å; D201-H203 VanDerWaalsContact C-N 3.29Å; D201-H203 PolarHBondContact O-N 3.45Å; H203-C205 PolarHBondContact O-N 2.84Å; H203-C205 VanDerWaalsContact O-N 3.14Å
204	S	80.1	Confident	88.6	Confident	87 Å²	87	50.6 Å²	50.6	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	31.7	177.7	-60.3	0	0	0	0	114.2	A200 D201 S206	A200-S204 PolarHBondContact O-N 3Å; A200-S204 VanDerWaalsContact O-N 3.08Å; D201-S204 PolarHBondContact O-N 2.88Å; D201-S204 VanDerWaalsContact O-N 3.16Å; S204-S206 PolarHBondContact O-N 2.86Å; S204-S206 VanDerWaalsContact O-N 3.14Å
205	C	84.1	Confident	88.5	Confident	12 Å²	12	52.4 Å²	52.4	8%	0.081	29%	0.293	C	S	.	.			trans	-84.4	83	177.6	-68.4	0	0	0	0	109.8	A200 H203 D207 L208 L209	A200-C205 HydrophobicContact CB-CB 4.32Å; A200-C205 PolarHBondContact O-N 2.87Å; H203-C205 PolarHBondContact O-N 2.84Å; H203-C205 VanDerWaalsContact O-N 3.14Å; C205-D207 VanDerWaalsContact C-N 3.34Å; C205-D207 PolarHBondContact O-N 3.45Å; C205-L208 HydrophobicContact CB-CB 4.1Å; C205-L208 PolarHBondContact O-N 2.85Å; C205-L209 VanDerWaalsContact O-CB 3.3Å; C205-L209 WeakPolarHBondContact O-CB 3.48Å; C205-L209 PolarHBondContact O-N 2.84Å
206	S	85.7	Confident	88.7	Confident	63 Å²	63	50.7 Å²	50.7	44%	0.441	28%	0.275	S	S	.	.	H	α-helix	trans	-58.3	-39.6	-170.6	58.2	0	0	0	0	114.5	S204 L209 K210	S204-S206 PolarHBondContact O-N 2.86Å; S204-S206 VanDerWaalsContact O-N 3.14Å; S206-L209 PolarHBondContact O-N 3.18Å; S206-K210 WeakPolarHBondContact O-CB 3.46Å; S206-K210 VanDerWaalsContact O-CG 3.25Å; S206-K210 WeakPolarHBondContact O-CG 3.42Å; S206-K210 PolarHBondContact O-N 2.78Å
207	D	88.1	Confident	88.7	Confident	112 Å²	112	50.3 Å²	50.3	60%	0.599	27%	0.274	S	S	*	.	H	α-helix	trans	-76.1	-39.8	-174.5	-62.1	-21	0	0	0	111.3	C205 S211	C205-D207 VanDerWaalsContact C-N 3.34Å; C205-D207 PolarHBondContact O-N 3.45Å; D207-S211 WeakPolarHBondContact O-CB 3.46Å; D207-S211 PolarHBondContact O-N 2.9Å; D207-S211 PolarHBondContact O-OG 3.08Å
208	L	90.8	Very high	88.6	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-44.1	171.6	179.9	63.2	0	0	0	110.5	L184 L185 I196 A200 C205 S211 A212	L184-L208 HydrophobicContact CB-CD1 4.03Å; L184-L208 HydrophobicContact CB-CD2 4.28Å; L184-L208 HydrophobicContact CD1-CD2 3.65Å; L185-L208 HydrophobicContact CD2-CD1 3.67Å; L185-L208 HydrophobicContact CG-CD1 3.79Å; I196-L208 HydrophobicContact CG2-CD1 4.05Å; I196-L208 HydrophobicContact CG2-CD2 4.33Å; I196-L208 HydrophobicContact CG2-CG 4.28Å; A200-L208 HydrophobicContact CB-CB 4.11Å; A200-L208 HydrophobicContact CB-CD2 3.84Å; A200-L208 HydrophobicContact CB-CG 3.81Å; C205-L208 HydrophobicContact CB-CB 4.1Å; C205-L208 PolarHBondContact O-N 2.85Å; L208-S211 PolarHBondContact O-N 3.31Å; L208-A212 VanDerWaalsContact O-CB 3.25Å; L208-A212 WeakPolarHBondContact O-CB 3.34Å; L208-A212 PolarHBondContact O-N 3.5Å
209	L	91.1	Very high	88.6	Confident	45 Å²	45	51.7 Å²	51.7	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-49.1	177.9	179.9	66.7	0	0	0	111.8	R197 A200 D201 C205 S206 S211 H213	R197-L209 HydrophobicContact CG-CD1 3.72Å; R197-L209 VanDerWaalsContact O-CD1 3.29Å; R197-L209 WeakPolarHBondContact O-CD1 3.36Å; A200-L209 HydrophobicContact CB-CB 3.93Å; A200-L209 HydrophobicContact CB-CD1 4.36Å; D201-L209 HydrophobicContact CB-CD1 3.95Å; D201-L209 HydrophobicContact CB-CD2 4.49Å; C205-L209 VanDerWaalsContact O-CB 3.3Å; C205-L209 WeakPolarHBondContact O-CB 3.48Å; C205-L209 PolarHBondContact O-N 2.84Å; S206-L209 PolarHBondContact O-N 3.18Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 2.91Å; L209-H213 WeakPolarHBondContact O-CB 3.38Å; L209-H213 PolarHBondContact O-N 3.37Å
210	K	90.9	Very high	88.9	Confident	141 Å²	141	49.6 Å²	49.6	61%	0.613	27%	0.265	S	S	*	.	H	α-helix	trans	-60.1	-43.7	177.5	-75.3	171.3	-175.5	174.4	0	111.6	S206 K214	S206-K210 WeakPolarHBondContact O-CB 3.46Å; S206-K210 VanDerWaalsContact O-CG 3.25Å; S206-K210 WeakPolarHBondContact O-CG 3.42Å; S206-K210 PolarHBondContact O-N 2.78Å; K210-K214 WeakPolarHBondContact O-CB 3.33Å; K210-K214 PolarHBondContact O-N 2.97Å
211	S	90.3	Very high	89	Confident	49 Å²	49	51 Å²	51	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-70	-44.5	-177.5	-55.8	0	0	0	0	111.8	L185 D207 L208 L209 K214 Y215	L185-S211 VanDerWaalsContact CD2-CB 3.43Å; D207-S211 WeakPolarHBondContact O-CB 3.46Å; D207-S211 PolarHBondContact O-N 2.9Å; D207-S211 PolarHBondContact O-OG 3.08Å; L208-S211 PolarHBondContact O-N 3.31Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 2.91Å; S211-K214 PolarHBondContact O-N 3.42Å; S211-Y215 WeakPolarHBondContact O-CB 3.17Å; S211-Y215 PolarHBondContact O-N 2.94Å
212	A	93	Very high	89.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-41.9	174.6	0	0	0	0	0	111.3	L188 I196 R197 L208 Y215 V216	L188-A212 HydrophobicContact CD2-CB 4.17Å; I196-A212 HydrophobicContact CG2-CB 4.31Å; R197-A212 HydrophobicContact CB-CB 4.05Å; L208-A212 VanDerWaalsContact O-CB 3.25Å; L208-A212 WeakPolarHBondContact O-CB 3.34Å; L208-A212 PolarHBondContact O-N 3.5Å; A212-Y215 WeakPolarHBondContact O-CB 3.29Å; A212-Y215 PolarHBondContact O-N 3.33Å; A212-V216 VanDerWaalsContact O-CG2 3.3Å; A212-V216 WeakPolarHBondContact O-CG2 3.43Å; A212-V216 PolarHBondContact O-N 2.5Å
213	H	92.1	Very high	89.6	Confident	55 Å²	55	46.5 Å²	46.5	26%	0.255	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-43.5	175.5	-174.3	68.4	0	0	0	112	R197 L209 Y215 V216 L217	R197-H213 PolarHBondContact NE-ND1 2.91Å; L209-H213 WeakPolarHBondContact O-CB 3.38Å; L209-H213 PolarHBondContact O-N 3.37Å; H213-Y215 VanDerWaalsContact C-N 3.32Å; H213-Y215 PolarHBondContact O-N 3.35Å; H213-V216 PolarHBondContact O-N 2.94Å; H213-L217 WeakPolarHBondContact O-CG 3.3Å; H213-L217 PolarHBondContact O-N 3.37Å; H213-L217 VanDerWaalsContact O-N 3.07Å
214	K	90.9	Very high	90.1	Very high	91 Å²	91	44.9 Å²	44.9	40%	0.396	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-44.2	173.9	-177.3	174.4	179.3	173.4	0	111.4	K210 S211 V216 L217 Q218	K210-K214 WeakPolarHBondContact O-CB 3.33Å; K210-K214 PolarHBondContact O-N 2.97Å; S211-K214 PolarHBondContact O-N 3.42Å; K214-V216 PolarHBondContact O-N 3.45Å; K214-L217 PolarHBondContact O-N 2.96Å; K214-Q218 VanDerWaalsContact CE-NE2 3.27Å; K214-Q218 HydrophobicContact CG-CG 4.48Å; K214-Q218 VanDerWaalsContact O-CG 3.28Å; K214-Q218 WeakPolarHBondContact O-CG 3.46Å; K214-Q218 PolarHBondContact O-N 2.91Å
215	Y	91.3	Very high	90.7	Very high	47 Å²	47	47.8 Å²	47.8	18%	0.184	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-45.4	176.5	-171.8	-89.1	0	0	0	112.1	L188 P190 C193 S211 A212 H213 L217 Q218 H219	L188-Y215 HydrophobicContact CB-CD1 4.48Å; L188-Y215 HydrophobicContact CB-CD2 4.3Å; L188-Y215 HydrophobicContact CB-CE2 4.33Å; L188-Y215 HydrophobicContact CB-CG 4.37Å; L188-Y215 HydrophobicContact CD1-CD2 4.41Å; L188-Y215 HydrophobicContact CD1-CG 4.33Å; P190-Y215 WeakPolarHBondContact CD-OH 3.27Å; P190-Y215 HydrophobicContact CG-CE1 4.5Å; C193-Y215 HydrophobicContact CB-CD1 3.77Å; C193-Y215 HydrophobicContact CB-CE1 4.19Å; S211-Y215 WeakPolarHBondContact O-CB 3.17Å; S211-Y215 PolarHBondContact O-N 2.94Å; A212-Y215 WeakPolarHBondContact O-CB 3.29Å; A212-Y215 PolarHBondContact O-N 3.33Å; H213-Y215 VanDerWaalsContact C-N 3.32Å; H213-Y215 PolarHBondContact O-N 3.35Å; Y215-L217 VanDerWaalsContact C-N 3.32Å; Y215-L217 PolarHBondContact O-N 3.27Å; Y215-Q218 PolarHBondContact O-N 3.4Å; Y215-Q218 VanDerWaalsContact O-N 3.14Å; Y215-H219 AromaticContact CD2-CD2 3.87Å; Y215-H219 HydrophobicContact CE1-CB 4.34Å; Y215-H219 AromaticContact CE1-CD2 3.97Å; Y215-H219 AromaticContact CE2-CD2 3.6Å; Y215-H219 AromaticContact CE2-NE2 3.75Å; Y215-H219 AromaticContact CZ-CD2 3.65Å; Y215-H219 PolarHBondContact O-N 2.86Å
216	V	92.7	Very high	91.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.5	-44.4	175.9	171.8	0	0	0	0	111.5	C193 L194 A212 H213 K214 Q218 F220 V223 L240	C193-V216 HydrophobicContact CB-CG2 4.02Å; C193-V216 VanDerWaalsContact SG-CG2 3.59Å; L194-V216 HydrophobicContact CD2-CG1 3.91Å; L194-V216 HydrophobicContact CD2-CG2 3.85Å; A212-V216 VanDerWaalsContact O-CG2 3.3Å; A212-V216 WeakPolarHBondContact O-CG2 3.43Å; A212-V216 PolarHBondContact O-N 2.5Å; H213-V216 PolarHBondContact O-N 2.94Å; K214-V216 PolarHBondContact O-N 3.45Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 3.31Å; V216-F220 VanDerWaalsContact O-CA 3.29Å; V216-F220 WeakPolarHBondContact O-CA 3.32Å; V216-F220 PolarHBondContact O-N 3.27Å; V216-F220 VanDerWaalsContact O-N 3.08Å; V216-V223 HydrophobicContact CG1-CG1 4.34Å; V216-L240 HydrophobicContact CG1-CD1 4.22Å; V216-L240 HydrophobicContact CG1-CD2 3.64Å
217	L	91.3	Very high	91.4	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-34.8	178.8	-65.4	176.5	0	0	0	112.3	H213 K214 Y215 L240 N245 L246 N247	H213-L217 WeakPolarHBondContact O-CG 3.3Å; H213-L217 PolarHBondContact O-N 3.37Å; H213-L217 VanDerWaalsContact O-N 3.07Å; K214-L217 PolarHBondContact O-N 2.96Å; Y215-L217 VanDerWaalsContact C-N 3.32Å; Y215-L217 PolarHBondContact O-N 3.27Å; L217-L240 HydrophobicContact CD2-CD2 4.27Å; L217-N245 HydrophobicContact CD1-CB 4.1Å; L217-L246 HydrophobicContact CD2-CD1 3.61Å; L217-N247 WeakPolarHBondContact O-CB 3.4Å; L217-N247 PolarHBondContact O-N 3.14Å
218	Q	88.6	Confident	91.6	Very high	32 Å²	32	50.1 Å²	50.1	15%	0.15	24%	0.238	C	C	.	.	H	α-helix	trans	-74.3	-32.9	179.7	-71.7	-178	-17.4	0	0	113.5	K214 Y215 V216 N247 L627	K214-Q218 VanDerWaalsContact CE-NE2 3.27Å; K214-Q218 HydrophobicContact CG-CG 4.48Å; K214-Q218 VanDerWaalsContact O-CG 3.28Å; K214-Q218 WeakPolarHBondContact O-CG 3.46Å; K214-Q218 PolarHBondContact O-N 2.91Å; Y215-Q218 PolarHBondContact O-N 3.4Å; Y215-Q218 VanDerWaalsContact O-N 3.14Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 3.31Å; Q218-N247 WeakPolarHBondContact O-CB 3.5Å; Q218-N247 PolarHBondContact O-ND2 2.94Å; Q218-L627 HydrophobicContact CG-CD1 4.06Å
219	H	89.3	Confident	91.8	Very high	52 Å²	52	50 Å²	50	24%	0.241	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	24.7	-177.3	-67.1	-87.2	0	0	0	112.9	Y215 V221 E222 V223	Y215-H219 AromaticContact CD2-CD2 3.87Å; Y215-H219 HydrophobicContact CE1-CB 4.34Å; Y215-H219 AromaticContact CE1-CD2 3.97Å; Y215-H219 AromaticContact CE2-CD2 3.6Å; Y215-H219 AromaticContact CE2-NE2 3.75Å; Y215-H219 AromaticContact CZ-CD2 3.65Å; Y215-H219 PolarHBondContact O-N 2.86Å; H219-V221 VanDerWaalsContact C-N 3.27Å; H219-V221 PolarHBondContact O-N 3.47Å; H219-V221 VanDerWaalsContact O-N 3.11Å; H219-E222 IonicContact ND1-OE2 3.43Å; H219-E222 PolarHBondContact O-N 2.86Å; H219-V223 HydrophobicContact CB-CG2 4.35Å; H219-V223 WeakPolarHBondContact O-CG2 3.3Å; H219-V223 PolarHBondContact O-N 2.91Å
220	F	92.3	Very high	91.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-53.9	-39.1	-170	179.1	-100.5	0	0	0	114.1	V216 E222 V223 S224 F229 I241 L246 V248 A257	V216-F220 VanDerWaalsContact O-CA 3.29Å; V216-F220 WeakPolarHBondContact O-CA 3.32Å; V216-F220 PolarHBondContact O-N 3.27Å; V216-F220 VanDerWaalsContact O-N 3.08Å; F220-E222 VanDerWaalsContact C-N 3.3Å; F220-E222 PolarHBondContact O-N 2.72Å; F220-V223 PolarHBondContact O-N 3.42Å; F220-S224 VanDerWaalsContact O-CB 3.23Å; F220-S224 WeakPolarHBondContact O-CB 3.21Å; F220-S224 PolarHBondContact O-N 3Å; F220-S224 PolarHBondContact O-OG 2.9Å; F220-F229 AromaticContact CE2-CE2 3.99Å; F220-F229 HydrophobicContact CE2-CE2 3.99Å; F220-F229 HydrophobicContact CE2-CZ 4.33Å; F220-F229 HydrophobicContact CZ-CE2 4.43Å; F220-F229 HydrophobicContact CZ-CZ 4.31Å; F220-I241 HydrophobicContact CE2-CG2 4.49Å; F220-I241 HydrophobicContact CZ-CG2 4.11Å; F220-L246 HydrophobicContact CB-CD1 3.71Å; F220-L246 HydrophobicContact CB-CG 3.97Å; F220-L246 HydrophobicContact CD1-CD1 4.13Å; F220-L246 HydrophobicContact CD1-CD2 3.67Å; F220-L246 HydrophobicContact CD1-CG 3.96Å; F220-L246 HydrophobicContact CD2-CD1 3.56Å; F220-L246 HydrophobicContact CD2-CD2 4.38Å; F220-L246 HydrophobicContact CD2-CG 4.3Å; F220-L246 HydrophobicContact CE1-CD2 3.81Å; F220-L246 HydrophobicContact CE2-CD1 4.18Å; F220-L246 HydrophobicContact CE2-CD2 4.49Å; F220-L246 HydrophobicContact CG-CD1 3.51Å; F220-L246 HydrophobicContact CG-CD2 3.96Å; F220-L246 HydrophobicContact CG-CG 3.8Å; F220-L246 HydrophobicContact CZ-CD2 4.22Å; F220-V248 HydrophobicContact CD1-CG1 3.69Å; F220-V248 HydrophobicContact CE1-CG1 4.43Å; F220-A257 HydrophobicContact CE1-CB 3.97Å; F220-A257 HydrophobicContact CZ-CB 4Å
221	V	90.8	Very high	91.9	Very high	30 Å²	30	47.3 Å²	47.3	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-40.2	-179.3	179.9	0	0	0	0	111.8	H219 S224 V248 E253	H219-V221 VanDerWaalsContact C-N 3.27Å; H219-V221 PolarHBondContact O-N 3.47Å; H219-V221 VanDerWaalsContact O-N 3.11Å; V221-S224 PolarHBondContact O-OG 2.9Å; V221-V248 HydrophobicContact CG2-CG1 4.13Å; V221-E253 HydrophobicContact CG2-CB 4.4Å; V221-E253 HydrophobicContact CG2-CG 4.45Å
222	E	91.8	Very high	92	Very high	108 Å²	108	45.7 Å²	45.7	51%	0.505	22%	0.216	S	C	.	.	H	α-helix	trans	-75.3	-45.7	177.6	-67.8	167.6	-165.4	0	0	110.8	P190 H219 F220 S224 K225	P190-E222 HydrophobicContact CB-CB 3.88Å; P190-E222 HydrophobicContact CG-CB 4.13Å; P190-E222 WeakPolarHBondContact CG-OE2 3.5Å; H219-E222 IonicContact ND1-OE2 3.43Å; H219-E222 PolarHBondContact O-N 2.86Å; F220-E222 VanDerWaalsContact C-N 3.3Å; F220-E222 PolarHBondContact O-N 2.72Å; E222-S224 VanDerWaalsContact C-N 3.27Å; E222-S224 PolarHBondContact O-N 3.29Å; E222-K225 PolarHBondContact O-N 2.92Å; E222-K225 VanDerWaalsContact O-N 3.11Å
223	V	93.8	Very high	92	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-40.3	178.6	177	0	0	0	0	111.2	P190 C193 L194 V216 H219 F220 K225 T226 F229	P190-V223 HydrophobicContact CB-CG2 4.07Å; C193-V223 WeakPolarHBondContact SG-CG2 3.25Å; L194-V223 HydrophobicContact CD1-CG1 3.57Å; L194-V223 HydrophobicContact CD2-CG1 4.13Å; L194-V223 HydrophobicContact CG-CG1 3.74Å; V216-V223 HydrophobicContact CG1-CG1 4.34Å; H219-V223 HydrophobicContact CB-CG2 4.35Å; H219-V223 WeakPolarHBondContact O-CG2 3.3Å; H219-V223 PolarHBondContact O-N 2.91Å; F220-V223 PolarHBondContact O-N 3.42Å; V223-K225 PolarHBondContact O-N 2.74Å; V223-K225 VanDerWaalsContact O-N 3.1Å; V223-T226 WeakPolarHBondContact O-CB 3.37Å; V223-T226 WeakPolarHBondContact O-CG2 3.36Å; V223-T226 PolarHBondContact O-N 3.22Å; V223-T226 PolarHBondContact O-OG1 2.85Å; V223-F229 WeakPolarHBondContact O-CB 3.48Å
224	S	93.8	Very high	92.1	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.9	-179	70.6	0	0	0	0	114.3	F220 V221 E222 F229 M230	F220-S224 VanDerWaalsContact O-CB 3.23Å; F220-S224 WeakPolarHBondContact O-CB 3.21Å; F220-S224 PolarHBondContact O-N 3Å; F220-S224 PolarHBondContact O-OG 2.9Å; V221-S224 PolarHBondContact O-OG 2.9Å; E222-S224 VanDerWaalsContact C-N 3.27Å; E222-S224 PolarHBondContact O-N 3.29Å; S224-F229 WeakPolarHBondContact O-CD1 3.27Å; S224-M230 WeakPolarHBondContact O-CE 2.92Å
225	K	93.1	Very high	92.2	Very high	148 Å²	148	51.3 Å²	51.3	64%	0.643	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-8.6	177.8	-63.2	171	-174.6	173.9	0	113.1	E222 V223	E222-K225 PolarHBondContact O-N 2.92Å; E222-K225 VanDerWaalsContact O-N 3.11Å; V223-K225 PolarHBondContact O-N 2.74Å; V223-K225 VanDerWaalsContact O-N 3.1Å
226	T	94.3	Very high	92.2	Very high	25 Å²	25	52 Å²	52	15%	0.153	25%	0.254	C	S	.	.	S	Bend	trans	-80.4	156.6	-177.3	68	0	0	0	0	112	V223 E228 F229	V223-T226 WeakPolarHBondContact O-CB 3.37Å; V223-T226 WeakPolarHBondContact O-CG2 3.36Å; V223-T226 PolarHBondContact O-N 3.22Å; V223-T226 PolarHBondContact O-OG1 2.85Å; T226-E228 VanDerWaalsContact C-N 3.33Å; T226-F229 PolarHBondContact O-N 3.08Å; T226-F229 PolarHBondContact OG1-N 3.11Å
227	E	90.1	Very high	92.3	Very high	144 Å²	144	52 Å²	52	67%	0.673	25%	0.254	S	S	*	.	H	α-helix	trans	-65.7	-36.1	174.9	-169.8	175.7	-176.3	0	0	111.9	F229 M230 L231	E227-F229 PolarHBondContact O-N 2.86Å; E227-M230 WeakPolarHBondContact O-CB 3.4Å; E227-M230 PolarHBondContact O-N 2.89Å; E227-L231 HydrophobicContact CG-CD1 4.23Å; E227-L231 PolarHBondContact O-N 2.99Å; E227-L231 VanDerWaalsContact O-N 3.16Å
228	E	91.4	Very high	92.5	Very high	68 Å²	68	53.3 Å²	53.3	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-55.4	-40.6	176.4	-68.3	-162.5	163.2	0	0	111.7	L194 G195 T226 L231 L232	L194-E228 HydrophobicContact CB-CB 4.24Å; L194-E228 WeakPolarHBondContact CB-OE2 3.44Å; L194-E228 HydrophobicContact CD1-CB 4.02Å; G195-E228 PolarHBondContact N-OE2 2.88Å; T226-E228 VanDerWaalsContact C-N 3.33Å; E228-L231 PolarHBondContact O-N 2.98Å; E228-L232 WeakPolarHBondContact O-CG 3.48Å; E228-L232 PolarHBondContact O-N 2.57Å
229	F	94.2	Very high	92.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-41.9	176.7	-177.8	-100.5	0	0	0	112.2	L194 F220 V223 S224 T226 E227 L231 L232 V237 L240 A257 W261	L194-F229 HydrophobicContact CD1-CB 3.84Å; L194-F229 HydrophobicContact CD1-CD2 4.3Å; F220-F229 AromaticContact CE2-CE2 3.99Å; F220-F229 HydrophobicContact CE2-CE2 3.99Å; F220-F229 HydrophobicContact CE2-CZ 4.33Å; F220-F229 HydrophobicContact CZ-CE2 4.43Å; F220-F229 HydrophobicContact CZ-CZ 4.31Å; V223-F229 WeakPolarHBondContact O-CB 3.48Å; S224-F229 WeakPolarHBondContact O-CD1 3.27Å; T226-F229 PolarHBondContact O-N 3.08Å; T226-F229 PolarHBondContact OG1-N 3.11Å; E227-F229 PolarHBondContact O-N 2.86Å; F229-L231 PolarHBondContact O-N 3.4Å; F229-L232 HydrophobicContact CD2-CD1 3.83Å; F229-L232 HydrophobicContact CE2-CD1 4.34Å; F229-L232 WeakPolarHBondContact O-CB 3.07Å; F229-L232 PolarHBondContact O-N 3.46Å; F229-L232 VanDerWaalsContact O-N 3.17Å; F229-V237 HydrophobicContact CZ-CG1 4.35Å; F229-L240 HydrophobicContact CE2-CD1 4.45Å; F229-A257 HydrophobicContact CE1-CB 4.41Å; F229-W261 HydrophobicContact CE1-CB 4Å; F229-W261 HydrophobicContact CE1-CG 4.44Å
230	M	92.8	Very high	92.9	Very high	19 Å²	19	53 Å²	53	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-28.4	-179.7	-57.4	-55.4	166	0	0	112.7	S224 E227 T260 W261 H264 R269	S224-M230 WeakPolarHBondContact O-CE 2.92Å; E227-M230 WeakPolarHBondContact O-CB 3.4Å; E227-M230 PolarHBondContact O-N 2.89Å; M230-T260 HydrophobicContact CE-CG2 3.35Å; M230-T260 HydrophobicContact SD-CG2 3.96Å; M230-W261 PolarHBondContact O-NE1 3.44Å; M230-W261 HydrophobicContact SD-CB 4.38Å; M230-H264 HydrophobicContact CB-CB 4.43Å; M230-R269 PolarHBondContact O-NH1 2.91Å; M230-R269 PolarHBondContact O-NH2 3.3Å
231	L	92.5	Very high	93	Very high	109 Å²	109	53 Å²	53	57%	0.571	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.8	179.1	-63.4	175.4	0	0	0	113.6	E227 E228 F229	E227-L231 HydrophobicContact CG-CD1 4.23Å; E227-L231 PolarHBondContact O-N 2.99Å; E227-L231 VanDerWaalsContact O-N 3.16Å; E228-L231 PolarHBondContact O-N 2.98Å; F229-L231 PolarHBondContact O-N 3.4Å
232	L	92.7	Very high	93.1	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.079	27%	0.273	C	S	.	.			trans	-63.6	142.2	-178.9	-72.6	-178.5	0	0	0	112.9	L194 E228 F229 V237 L240 W261	L194-L232 HydrophobicContact CD1-CD1 3.86Å; L194-L232 HydrophobicContact CD1-CG 4.25Å; L194-L232 HydrophobicContact CD2-CD1 4.03Å; E228-L232 WeakPolarHBondContact O-CG 3.48Å; E228-L232 PolarHBondContact O-N 2.57Å; F229-L232 HydrophobicContact CD2-CD1 3.83Å; F229-L232 HydrophobicContact CE2-CD1 4.34Å; F229-L232 WeakPolarHBondContact O-CB 3.07Å; F229-L232 PolarHBondContact O-N 3.46Å; F229-L232 VanDerWaalsContact O-N 3.17Å; L232-V237 HydrophobicContact CB-CG2 3.68Å; L232-V237 HydrophobicContact CD1-CG2 4.29Å; L232-L240 HydrophobicContact CD1-CD1 3.95Å; L232-W261 VanDerWaalsContact O-CZ2 3.3Å; L232-W261 WeakPolarHBondContact O-CZ2 3.47Å; L232-W261 PolarHBondContact O-NE1 2.96Å; L232-W261 VanDerWaalsContact O-NE1 3.14Å
233	P	92.9	Very high	93.2	Very high	74 Å²	74	50.4 Å²	50.4	48%	0.481	26%	0.257	S	S	.	.			trans	-65.3	150.6	169.9	-19.6	31.7	0	0	0	112.7	K235 Q236 V237	P233-K235 VanDerWaalsContact C-N 3.29Å; P233-K235 PolarHBondContact O-N 2.79Å; P233-K235 VanDerWaalsContact O-N 3.13Å; P233-Q236 PolarHBondContact O-N 3.04Å; P233-V237 PolarHBondContact O-N 2.77Å
234	L	92.8	Very high	93	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.183	28%	0.277	C	S	.	.	H	α-helix	trans	-47.6	-46.4	-179	176.2	66.6	0	0	0	113.9	Q236 V237 L238 W261 H272 W275 L276	L234-Q236 VanDerWaalsContact C-N 3.33Å; L234-Q236 PolarHBondContact O-N 3.26Å; L234-V237 PolarHBondContact O-N 3.18Å; L234-L238 HydrophobicContact CD1-CD1 4Å; L234-L238 HydrophobicContact CD1-CG 4.12Å; L234-L238 HydrophobicContact CD2-CD1 4.42Å; L234-L238 HydrophobicContact CG-CD1 3.86Å; L234-L238 HydrophobicContact CG-CG 4.38Å; L234-L238 WeakPolarHBondContact O-CG 3.33Å; L234-L238 PolarHBondContact O-N 2.85Å; L234-W261 HydrophobicContact CB-CH2 4.21Å; L234-W261 HydrophobicContact CD1-CH2 4.03Å; L234-W261 HydrophobicContact CD1-CZ3 4.29Å; L234-H272 HydrophobicContact CD1-CB 3.75Å; L234-H272 HydrophobicContact CD2-CB 4.02Å; L234-H272 VanDerWaalsContact CD2-CG 3.49Å; L234-H272 WeakPolarHBondContact CD2-ND1 3.23Å; L234-W275 HydrophobicContact CD2-CE3 4Å; L234-W275 HydrophobicContact CD2-CZ3 4.04Å; L234-L276 HydrophobicContact CD1-CD1 4.43Å; L234-L276 HydrophobicContact CD1-CD2 4.03Å; L234-L276 HydrophobicContact CD1-CG 4.24Å
235	K	93.1	Very high	92.8	Very high	155 Å²	155	56.3 Å²	56.3	67%	0.674	29%	0.288	S	S	*	.	H	α-helix	trans	-58.9	-45.2	-178.2	-175.4	-179.8	176.7	-175.2	0	111.5	P233 V237 L238 D239	P233-K235 VanDerWaalsContact C-N 3.29Å; P233-K235 PolarHBondContact O-N 2.79Å; P233-K235 VanDerWaalsContact O-N 3.13Å; K235-V237 VanDerWaalsContact C-N 3.33Å; K235-V237 PolarHBondContact O-N 2.89Å; K235-L238 PolarHBondContact O-N 3.07Å; K235-D239 WeakPolarHBondContact O-CB 3.25Å; K235-D239 PolarHBondContact O-N 3.49Å
236	Q	92.3	Very high	92.7	Very high	63 Å²	63	49.3 Å²	49.3	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-69	-34.4	-179.1	-63	-168.5	16.3	0	0	112.1	P233 L234 L240	P233-Q236 PolarHBondContact O-N 3.04Å; L234-Q236 VanDerWaalsContact C-N 3.33Å; L234-Q236 PolarHBondContact O-N 3.26Å; Q236-L240 WeakPolarHBondContact O-CG 3.49Å; Q236-L240 PolarHBondContact O-N 2.82Å; Q236-L240 VanDerWaalsContact O-N 3.15Å
237	V	94.9	Very high	92.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-48.2	174.4	177.5	0	0	0	0	110.5	F229 L232 P233 L234 K235 D239 L240 I241 W261 L276	F229-V237 HydrophobicContact CZ-CG1 4.35Å; L232-V237 HydrophobicContact CB-CG2 3.68Å; L232-V237 HydrophobicContact CD1-CG2 4.29Å; P233-V237 PolarHBondContact O-N 2.77Å; L234-V237 PolarHBondContact O-N 3.18Å; K235-V237 VanDerWaalsContact C-N 3.33Å; K235-V237 PolarHBondContact O-N 2.89Å; V237-D239 VanDerWaalsContact C-N 3.32Å; V237-D239 PolarHBondContact O-N 3.1Å; V237-L240 PolarHBondContact O-N 3.29Å; V237-L240 VanDerWaalsContact O-N 3.09Å; V237-I241 HydrophobicContact CG1-CG2 4.32Å; V237-I241 WeakPolarHBondContact O-CG1 3.26Å; V237-I241 PolarHBondContact O-N 2.83Å; V237-W261 HydrophobicContact CG2-CD2 4.3Å; V237-W261 HydrophobicContact CG2-CG 4.47Å; V237-W261 HydrophobicContact CG2-CZ2 4.13Å; V237-L276 HydrophobicContact CG1-CD2 3.95Å
238	L	95.1	Very high	92.2	Very high	35 Å²	35	44.5 Å²	44.5	18%	0.183	24%	0.236	C	C	.	.	H	α-helix	trans	-57.1	-44.6	176.4	-75.5	170.3	0	0	0	111.7	L234 K235 L240 I241 S242 W275 L276	L234-L238 HydrophobicContact CD1-CD1 4Å; L234-L238 HydrophobicContact CD1-CG 4.12Å; L234-L238 HydrophobicContact CD2-CD1 4.42Å; L234-L238 HydrophobicContact CG-CD1 3.86Å; L234-L238 HydrophobicContact CG-CG 4.38Å; L234-L238 WeakPolarHBondContact O-CG 3.33Å; L234-L238 PolarHBondContact O-N 2.85Å; K235-L238 PolarHBondContact O-N 3.07Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 3.11Å; L238-I241 HydrophobicContact CD2-CD1 4.4Å; L238-I241 PolarHBondContact O-N 2.82Å; L238-S242 WeakPolarHBondContact O-CB 3.48Å; L238-S242 PolarHBondContact O-N 3.41Å; L238-S242 PolarHBondContact O-OG 2.79Å; L238-W275 HydrophobicContact CD2-CB 4.38Å; L238-L276 HydrophobicContact CD2-CD2 3.79Å; L238-L276 HydrophobicContact CD2-CG 4.37Å; L238-L276 HydrophobicContact CG-CD2 4.16Å
239	D	92.7	Very high	91.8	Very high	79 Å²	79	43.4 Å²	43.4	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-60.9	-35.1	177.3	-67.5	-16.7	0	0	0	111.9	K235 V237 S242	K235-D239 WeakPolarHBondContact O-CB 3.25Å; K235-D239 PolarHBondContact O-N 3.49Å; V237-D239 VanDerWaalsContact C-N 3.32Å; V237-D239 PolarHBondContact O-N 3.1Å; D239-S242 PolarHBondContact O-OG 3.32Å
240	L	93.3	Very high	91.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-74.6	-51.2	177	-72	172.4	0	0	0	112.4	L194 V216 L217 F229 L232 Q236 V237 L238 S242 S243	L194-L240 HydrophobicContact CD2-CD1 4.15Å; V216-L240 HydrophobicContact CG1-CD1 4.22Å; V216-L240 HydrophobicContact CG1-CD2 3.64Å; L217-L240 HydrophobicContact CD2-CD2 4.27Å; F229-L240 HydrophobicContact CE2-CD1 4.45Å; L232-L240 HydrophobicContact CD1-CD1 3.95Å; Q236-L240 WeakPolarHBondContact O-CG 3.49Å; Q236-L240 PolarHBondContact O-N 2.82Å; Q236-L240 VanDerWaalsContact O-N 3.15Å; V237-L240 PolarHBondContact O-N 3.29Å; V237-L240 VanDerWaalsContact O-N 3.09Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 3.11Å; L240-S242 VanDerWaalsContact C-N 3.33Å; L240-S242 PolarHBondContact O-N 3.16Å; L240-S243 VanDerWaalsContact O-CB 3.31Å; L240-S243 WeakPolarHBondContact O-CB 3.31Å; L240-S243 PolarHBondContact O-N 3.46Å
241	I	94.6	Very high	91.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-75.9	-20.5	-173.5	66.6	173.6	0	0	0	113.3	F220 V237 L238 S243 V254 V258 L276 C279 R334	F220-I241 HydrophobicContact CE2-CG2 4.49Å; F220-I241 HydrophobicContact CZ-CG2 4.11Å; V237-I241 HydrophobicContact CG1-CG2 4.32Å; V237-I241 WeakPolarHBondContact O-CG1 3.26Å; V237-I241 PolarHBondContact O-N 2.83Å; L238-I241 HydrophobicContact CD2-CD1 4.4Å; L238-I241 PolarHBondContact O-N 2.82Å; I241-S243 VanDerWaalsContact C-N 3.28Å; I241-V254 HydrophobicContact CB-CG1 4.34Å; I241-V254 HydrophobicContact CG2-CG1 4.39Å; I241-V258 HydrophobicContact CD1-CG2 3.72Å; I241-V258 HydrophobicContact CG2-CG2 4.11Å; I241-L276 HydrophobicContact CD1-CB 4.28Å; I241-L276 HydrophobicContact CD1-CD2 3.64Å; I241-C279 HydrophobicContact CB-CB 4.42Å; I241-C279 HydrophobicContact CD1-CB 3.62Å; I241-C279 HydrophobicContact CG1-CB 3.57Å; I241-R334 PolarHBondContact O-NH1 3.21Å; I241-R334 PolarHBondContact O-NH2 3.23Å
242	S	93.7	Very high	91.5	Very high	60 Å²	60	41.1 Å²	41.1	42%	0.42	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.8	174	60.7	0	0	0	0	112.9	L238 D239 L240 D244	L238-S242 WeakPolarHBondContact O-CB 3.48Å; L238-S242 PolarHBondContact O-N 3.41Å; L238-S242 PolarHBondContact O-OG 2.79Å; D239-S242 PolarHBondContact O-OG 3.32Å; L240-S242 VanDerWaalsContact C-N 3.33Å; L240-S242 PolarHBondContact O-N 3.16Å; S242-D244 PolarHBondContact O-N 2.91Å
243	S	92.7	Very high	91.5	Very high	22 Å²	22	42.4 Å²	42.4	15%	0.154	23%	0.231	C	C	.	.			trans	-66.5	127.3	-177.6	-176.8	0	0	0	0	112.8	L240 I241 N245 R334	L240-S243 VanDerWaalsContact O-CB 3.31Å; L240-S243 WeakPolarHBondContact O-CB 3.31Å; L240-S243 PolarHBondContact O-N 3.46Å; I241-S243 VanDerWaalsContact C-N 3.28Å; S243-N245 PolarHBondContact O-N 3.05Å; S243-N245 PolarHBondContact OG-N 3.02Å; S243-R334 PolarHBondContact O-NH1 3.2Å
244	D	90.3	Very high	91.6	Very high	80 Å²	80	38.9 Å²	38.9	43%	0.428	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.7	174	-72.1	2.4	0	0	0	112.6	S242 L246 R281 R334 R335	S242-D244 PolarHBondContact O-N 2.91Å; D244-L246 VanDerWaalsContact C-N 3.33Å; D244-L246 PolarHBondContact O-N 2.93Å; D244-R281 IonicContact OD1-CZ 3.78Å; D244-R281 IonicContact OD1-NH2 3.68Å; D244-R281 PolarHBondContact OD1-NH2 3.44Å; D244-R281 IonicContact OD2-NH2 2.87Å; D244-R334 WeakPolarHBondContact O-CB 3.19Å; D244-R335 CarbonylContact O-C 3.59Å; D244-R335 PolarHBondContact O-N 3.39Å
245	N	89.9	Confident	91.8	Very high	51 Å²	51	37.4 Å²	37.4	27%	0.273	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.9	-175.1	-63.3	-11.3	0	0	0	113.3	L217 S243 N247 R335 C336 E337	L217-N245 HydrophobicContact CD1-CB 4.1Å; S243-N245 PolarHBondContact O-N 3.05Å; S243-N245 PolarHBondContact OG-N 3.02Å; N245-N247 PolarHBondContact O-N 3.25Å; N245-R335 WeakPolarHBondContact CA-O 3.48Å; N245-R335 PolarHBondContact OD1-O 3.48Å; N245-C336 PolarHBondContact O-SG 3.2Å; N245-E337 HydrophobicContact CB-CB 4.19Å; N245-E337 PolarHBondContact ND2-OE2 2.92Å; N245-E337 VanDerWaalsContact ND2-OE2 3.1Å
246	L	90.3	Very high	91.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.184	C	C	.	.			trans	-66.9	126.6	179.3	-152	70	0	0	0	110.9	L217 F220 D244 V248 V254	L217-L246 HydrophobicContact CD2-CD1 3.61Å; F220-L246 HydrophobicContact CB-CD1 3.71Å; F220-L246 HydrophobicContact CB-CG 3.97Å; F220-L246 HydrophobicContact CD1-CD1 4.13Å; F220-L246 HydrophobicContact CD1-CD2 3.67Å; F220-L246 HydrophobicContact CD1-CG 3.96Å; F220-L246 HydrophobicContact CD2-CD1 3.56Å; F220-L246 HydrophobicContact CD2-CD2 4.38Å; F220-L246 HydrophobicContact CD2-CG 4.3Å; F220-L246 HydrophobicContact CE1-CD2 3.81Å; F220-L246 HydrophobicContact CE2-CD1 4.18Å; F220-L246 HydrophobicContact CE2-CD2 4.49Å; F220-L246 HydrophobicContact CG-CD1 3.51Å; F220-L246 HydrophobicContact CG-CD2 3.96Å; F220-L246 HydrophobicContact CG-CG 3.8Å; F220-L246 HydrophobicContact CZ-CD2 4.22Å; D244-L246 VanDerWaalsContact C-N 3.33Å; D244-L246 PolarHBondContact O-N 2.93Å; L246-V248 HydrophobicContact CD2-CG1 3.85Å; L246-V248 HydrophobicContact CG-CG1 4.02Å; L246-V248 PolarHBondContact O-N 3.48Å; L246-V254 HydrophobicContact CD2-CG1 4.47Å; L246-V254 HydrophobicContact CD2-CG2 3.73Å
247	N	88.3	Confident	92	Very high	55 Å²	55	31.4 Å²	31.4	29%	0.294	17%	0.172	S	C	.	.			trans	-87.4	96.2	174.2	-174.2	31.3	0	0	0	110.1	L217 Q218 N245 C336 L627	L217-N247 WeakPolarHBondContact O-CB 3.4Å; L217-N247 PolarHBondContact O-N 3.14Å; Q218-N247 WeakPolarHBondContact O-CB 3.5Å; Q218-N247 PolarHBondContact O-ND2 2.94Å; N245-N247 PolarHBondContact O-N 3.25Å; N247-C336 HydrophobicContact CB-CB 4.14Å; N247-L627 HydrophobicContact CB-CD1 3.84Å
248	V	86.8	Confident	92	Very high	12 Å²	12	31.5 Å²	31.5	7%	0.073	17%	0.172	C	C	.	.			trans	-130.6	143	176.8	-69.7	0	0	0	0	110.8	F220 V221 L246 S250 V254	F220-V248 HydrophobicContact CD1-CG1 3.69Å; F220-V248 HydrophobicContact CE1-CG1 4.43Å; V221-V248 HydrophobicContact CG2-CG1 4.13Å; L246-V248 HydrophobicContact CD2-CG1 3.85Å; L246-V248 HydrophobicContact CG-CG1 4.02Å; L246-V248 PolarHBondContact O-N 3.48Å; V248-S250 VanDerWaalsContact C-N 3.28Å; V248-S250 PolarHBondContact O-N 3.07Å; V248-V254 HydrophobicContact CB-CG2 4.32Å; V248-V254 HydrophobicContact CG1-CG2 3.91Å; V248-V254 HydrophobicContact CG2-CG2 3.9Å
249	P	82.4	Confident	92	Very high	46 Å²	46	30.4 Å²	30.4	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	-68.1	-30.2	175.9	27.3	-34.2	0	0	0	112.1	E253 I411	P249-E253 HydrophobicContact CG-CG 3.81Å; P249-I411 HydrophobicContact CB-CD1 3.73Å
250	S	88.1	Confident	92.1	Very high	42 Å²	42	30 Å²	30	29%	0.294	17%	0.167	S	C	.	.			trans	-155.9	158.7	176.9	69.7	0	0	0	0	110.8	V248 E252 E253	V248-S250 VanDerWaalsContact C-N 3.28Å; V248-S250 PolarHBondContact O-N 3.07Å; S250-E252 PolarHBondContact O-N 3.38Å; S250-E252 PolarHBondContact OG-N 3.28Å; S250-E253 PolarHBondContact O-N 3.48Å
251	E	92.3	Very high	92.2	Very high	11 Å²	11	30.3 Å²	30.3	5%	0.051	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-15	173.3	-74.4	-71.7	150.4	0	0	112.9	E253 V254 Y255 R281 L284 L285 R334	E251-E253 VanDerWaalsContact C-N 3.26Å; E251-E253 PolarHBondContact O-N 3.2Å; E251-V254 PolarHBondContact O-N 3.11Å; E251-Y255 PolarHBondContact O-N 2.88Å; E251-R281 HydrophobicContact CG-CB 3.87Å; E251-R281 WeakPolarHBondContact OE2-CB 3.4Å; E251-R281 PolarHBondContact OE2-N 3.45Å; E251-R281 VanDerWaalsContact OE2-N 3.13Å; E251-L284 HydrophobicContact CG-CB 4.12Å; E251-L284 HydrophobicContact CG-CD1 4.41Å; E251-L285 HydrophobicContact CB-CD1 3.41Å; E251-L285 VanDerWaalsContact CB-CD1 3.41Å; E251-R334 WeakPolarHBondContact OE1-CD 3.45Å; E251-R334 WeakPolarHBondContact OE1-CG 3.34Å; E251-R334 IonicContact OE1-CZ 3.9Å; E251-R334 IonicContact OE1-NE 2.62Å; E251-R334 PolarHBondContact OE1-NE 2.87Å; E251-R334 IonicContact OE1-NH2 3.7Å; E251-R334 PolarHBondContact OE1-NH2 3.13Å; E251-R334 IonicContact OE2-CZ 2.94Å; E251-R334 IonicContact OE2-NE 3.37Å; E251-R334 IonicContact OE2-NH2 3.97Å; E251-R334 PolarHBondContact OE2-NH2 3.2Å
252	E	93.1	Very high	92.2	Very high	27 Å²	27	30.3 Å²	30.3	13%	0.126	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-35.1	172.8	-57.3	-179.3	-172.1	0	0	111.5	S250 V254 Y255 R256 L285 F289	S250-E252 PolarHBondContact O-N 3.38Å; S250-E252 PolarHBondContact OG-N 3.28Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 3.05Å; E252-Y255 PolarHBondContact O-N 2.74Å; E252-R256 VanDerWaalsContact CB-NH1 3.25Å; E252-R256 WeakPolarHBondContact O-CB 3.12Å; E252-R256 VanDerWaalsContact O-CG 3.29Å; E252-R256 WeakPolarHBondContact O-CG 3.35Å; E252-R256 PolarHBondContact O-N 2.77Å; E252-R256 IonicContact OE2-CZ 2.71Å; E252-R256 IonicContact OE2-NH1 3.77Å; E252-R256 PolarHBondContact OE2-NH1 3.38Å; E252-R256 IonicContact OE2-NH2 2.66Å; E252-R256 PolarHBondContact OE2-NH2 3.24Å; E252-L285 HydrophobicContact CG-CG 4.21Å; E252-F289 HydrophobicContact CB-CD1 4.43Å; E252-F289 HydrophobicContact CB-CE1 4.22Å; E252-F289 HydrophobicContact CB-CZ 4.28Å; E252-F289 HydrophobicContact CG-CD1 3.88Å; E252-F289 HydrophobicContact CG-CD2 4.39Å; E252-F289 HydrophobicContact CG-CE1 4.17Å; E252-F289 HydrophobicContact CG-CG 3.99Å
253	E	92.4	Very high	92.2	Very high	41 Å²	41	32.1 Å²	32.1	19%	0.192	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-37.8	174.9	-67.2	-55.7	117.3	0	0	111.6	V221 P249 S250 E251 R256 A257	V221-E253 HydrophobicContact CG2-CB 4.4Å; V221-E253 HydrophobicContact CG2-CG 4.45Å; P249-E253 HydrophobicContact CG-CG 3.81Å; S250-E253 PolarHBondContact O-N 3.48Å; E251-E253 VanDerWaalsContact C-N 3.26Å; E251-E253 PolarHBondContact O-N 3.2Å; E253-R256 PolarHBondContact O-N 2.92Å; E253-R256 IonicContact OE1-CZ 3.11Å; E253-R256 IonicContact OE1-NH1 2.83Å; E253-R256 PolarHBondContact OE1-NH1 3.42Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 3.39Å
254	V	95.1	Very high	92.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-43.9	175.6	-171.8	0	0	0	0	110.3	I241 L246 V248 E251 E252 A257 V258 V280	I241-V254 HydrophobicContact CB-CG1 4.34Å; I241-V254 HydrophobicContact CG2-CG1 4.39Å; L246-V254 HydrophobicContact CD2-CG1 4.47Å; L246-V254 HydrophobicContact CD2-CG2 3.73Å; V248-V254 HydrophobicContact CB-CG2 4.32Å; V248-V254 HydrophobicContact CG1-CG2 3.91Å; V248-V254 HydrophobicContact CG2-CG2 3.9Å; E251-V254 PolarHBondContact O-N 3.11Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 3.05Å; V254-A257 PolarHBondContact O-N 3.38Å; V254-V258 WeakPolarHBondContact O-CG2 3.39Å; V254-V258 PolarHBondContact O-N 2.94Å; V254-V280 HydrophobicContact CG1-CG2 4.27Å
255	Y	95.6	Very high	92.3	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-46.9	175.3	179.4	-95.3	0	0	0	112.1	E251 E252 A257 V258 L259 M277 V280 L282 F289 N293 V294	E251-Y255 PolarHBondContact O-N 2.88Å; E252-Y255 PolarHBondContact O-N 2.74Å; Y255-A257 PolarHBondContact O-N 3.2Å; Y255-V258 PolarHBondContact O-N 2.81Å; Y255-L259 HydrophobicContact CD1-CD1 4.07Å; Y255-L259 HydrophobicContact CD1-CG 4.37Å; Y255-L259 HydrophobicContact CE1-CD1 3.26Å; Y255-L259 HydrophobicContact CE1-CG 3.91Å; Y255-L259 HydrophobicContact CE2-CD1 4.32Å; Y255-L259 HydrophobicContact CE2-CG 4.31Å; Y255-L259 VanDerWaalsContact CZ-CD1 3.41Å; Y255-L259 PolarHBondContact O-N 3.06Å; Y255-L259 WeakPolarHBondContact OH-CD1 3.41Å; Y255-M277 HydrophobicContact CD2-CE 4Å; Y255-M277 HydrophobicContact CD2-SD 3.9Å; Y255-M277 HydrophobicContact CE2-CE 3.6Å; Y255-M277 HydrophobicContact CE2-SD 3.75Å; Y255-V280 HydrophobicContact CD2-CG1 4.37Å; Y255-L282 HydrophobicContact CD2-CD2 4.28Å; Y255-F289 AromaticContact CD1-CE1 3.54Å; Y255-F289 HydrophobicContact CD1-CE1 3.54Å; Y255-F289 AromaticContact CD1-CZ 3.61Å; Y255-F289 HydrophobicContact CD1-CZ 3.61Å; Y255-F289 AromaticContact CE1-CE1 3.99Å; Y255-F289 HydrophobicContact CE1-CE1 3.99Å; Y255-F289 HydrophobicContact CE1-CZ 4.03Å; Y255-F289 HydrophobicContact CG-CE1 4.09Å; Y255-N293 PolarHBondContact OH-O 2.96Å; Y255-V294 HydrophobicContact CD2-CG2 4.31Å; Y255-V294 HydrophobicContact CE1-CG2 4.09Å; Y255-V294 HydrophobicContact CE2-CB 4.45Å; Y255-V294 HydrophobicContact CE2-CG1 4.11Å; Y255-V294 HydrophobicContact CE2-CG2 3.79Å; Y255-V294 WeakPolarHBondContact OH-CA 3.48Å
256	R	95.1	Very high	92.4	Very high	89 Å²	89	36.5 Å²	36.5	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-61	-43.2	177.4	-72.3	175.8	-170.4	107.4	11.6	111.5	E252 E253 L259 T260 F289	E252-R256 VanDerWaalsContact CB-NH1 3.25Å; E252-R256 WeakPolarHBondContact O-CB 3.12Å; E252-R256 VanDerWaalsContact O-CG 3.29Å; E252-R256 WeakPolarHBondContact O-CG 3.35Å; E252-R256 PolarHBondContact O-N 2.77Å; E252-R256 IonicContact OE2-CZ 2.71Å; E252-R256 IonicContact OE2-NH1 3.77Å; E252-R256 PolarHBondContact OE2-NH1 3.38Å; E252-R256 IonicContact OE2-NH2 2.66Å; E252-R256 PolarHBondContact OE2-NH2 3.24Å; E253-R256 PolarHBondContact O-N 2.92Å; E253-R256 IonicContact OE1-CZ 3.11Å; E253-R256 IonicContact OE1-NH1 2.83Å; E253-R256 PolarHBondContact OE1-NH1 3.42Å; R256-L259 PolarHBondContact O-N 3.25Å; R256-T260 WeakPolarHBondContact O-CB 3.46Å; R256-T260 PolarHBondContact O-N 3.08Å; R256-T260 PolarHBondContact O-OG1 2.85Å; R256-F289 HydrophobicContact CG-CZ 4.47Å
257	A	95.5	Very high	92.3	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-48.9	176.3	0	0	0	0	0	111.6	F220 F229 E253 V254 Y255 L259 T260 W261	F220-A257 HydrophobicContact CE1-CB 3.97Å; F220-A257 HydrophobicContact CZ-CB 4Å; F229-A257 HydrophobicContact CE1-CB 4.41Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 3.39Å; V254-A257 PolarHBondContact O-N 3.38Å; Y255-A257 PolarHBondContact O-N 3.2Å; A257-L259 PolarHBondContact O-N 3.22Å; A257-T260 PolarHBondContact O-N 2.76Å; A257-W261 PolarHBondContact O-N 2.71Å
258	V	95.7	Very high	92.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-47.3	178.2	166.7	0	0	0	0	111.4	I241 V254 Y255 W261 V262 L276 M277 V280	I241-V258 HydrophobicContact CD1-CG2 3.72Å; I241-V258 HydrophobicContact CG2-CG2 4.11Å; V254-V258 WeakPolarHBondContact O-CG2 3.39Å; V254-V258 PolarHBondContact O-N 2.94Å; Y255-V258 PolarHBondContact O-N 2.81Å; V258-W261 PolarHBondContact O-N 2.67Å; V258-V262 WeakPolarHBondContact O-CG2 3.43Å; V258-V262 PolarHBondContact O-N 3.37Å; V258-L276 HydrophobicContact CG1-CB 3.65Å; V258-L276 HydrophobicContact CG1-CD1 4.14Å; V258-L276 HydrophobicContact CG1-CG 4.37Å; V258-M277 HydrophobicContact CG1-CE 4.04Å; V258-V280 HydrophobicContact CB-CG2 4.41Å; V258-V280 HydrophobicContact CG2-CG2 3.94Å
259	L	94.3	Very high	92.7	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-40.6	179	-81.4	-167.2	0	0	0	112.6	Y255 R256 A257 W261 V262 K263 M277 E297	Y255-L259 HydrophobicContact CD1-CD1 4.07Å; Y255-L259 HydrophobicContact CD1-CG 4.37Å; Y255-L259 HydrophobicContact CE1-CD1 3.26Å; Y255-L259 HydrophobicContact CE1-CG 3.91Å; Y255-L259 HydrophobicContact CE2-CD1 4.32Å; Y255-L259 HydrophobicContact CE2-CG 4.31Å; Y255-L259 VanDerWaalsContact CZ-CD1 3.41Å; Y255-L259 PolarHBondContact O-N 3.06Å; Y255-L259 WeakPolarHBondContact OH-CD1 3.41Å; R256-L259 PolarHBondContact O-N 3.25Å; A257-L259 PolarHBondContact O-N 3.22Å; L259-W261 VanDerWaalsContact C-N 3.29Å; L259-W261 PolarHBondContact O-N 2.91Å; L259-V262 PolarHBondContact O-N 3.09Å; L259-K263 WeakPolarHBondContact O-CB 3.25Å; L259-K263 VanDerWaalsContact O-CG 3.29Å; L259-K263 WeakPolarHBondContact O-CG 3.16Å; L259-K263 PolarHBondContact O-N 2.91Å; L259-M277 HydrophobicContact CD2-CE 3.78Å; L259-M277 HydrophobicContact CG-CE 4.3Å; L259-E297 HydrophobicContact CD1-CG 4.09Å; L259-E297 HydrophobicContact CD2-CG 4.3Å
260	T	94.4	Very high	93.1	Very high	71 Å²	71	46.3 Å²	46.3	44%	0.436	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-41.6	177.8	-51.5	0	0	0	0	110.6	M230 R256 A257 K263 H264	M230-T260 HydrophobicContact CE-CG2 3.35Å; M230-T260 HydrophobicContact SD-CG2 3.96Å; R256-T260 WeakPolarHBondContact O-CB 3.46Å; R256-T260 PolarHBondContact O-N 3.08Å; R256-T260 PolarHBondContact O-OG1 2.85Å; A257-T260 PolarHBondContact O-N 2.76Å; T260-K263 PolarHBondContact O-N 2.87Å; T260-H264 PolarHBondContact O-N 2.82Å; T260-H264 VanDerWaalsContact O-N 3.13Å
261	W	96	Very high	93.2	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.019	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-42.8	174.7	-177	90.5	0	0	0	112.7	F229 M230 L232 L234 V237 A257 V258 L259 R269 L276	F229-W261 HydrophobicContact CE1-CB 4Å; F229-W261 HydrophobicContact CE1-CG 4.44Å; M230-W261 PolarHBondContact O-NE1 3.44Å; M230-W261 HydrophobicContact SD-CB 4.38Å; L232-W261 VanDerWaalsContact O-CZ2 3.3Å; L232-W261 WeakPolarHBondContact O-CZ2 3.47Å; L232-W261 PolarHBondContact O-NE1 2.96Å; L232-W261 VanDerWaalsContact O-NE1 3.14Å; L234-W261 HydrophobicContact CB-CH2 4.21Å; L234-W261 HydrophobicContact CD1-CH2 4.03Å; L234-W261 HydrophobicContact CD1-CZ3 4.29Å; V237-W261 HydrophobicContact CG2-CD2 4.3Å; V237-W261 HydrophobicContact CG2-CG 4.47Å; V237-W261 HydrophobicContact CG2-CZ2 4.13Å; A257-W261 PolarHBondContact O-N 2.71Å; V258-W261 PolarHBondContact O-N 2.67Å; L259-W261 VanDerWaalsContact C-N 3.29Å; L259-W261 PolarHBondContact O-N 2.91Å; W261-R269 VanDerWaalsContact CE2-NH1 3.29Å; W261-R269 HydrophobicContact CH2-CB 4.34Å; W261-R269 HydrophobicContact CH2-CG 3.79Å; W261-R269 HydrophobicContact CZ2-CG 4.46Å; W261-R269 HydrophobicContact CZ3-CB 3.91Å; W261-R269 HydrophobicContact CZ3-CG 3.82Å; W261-R269 WeakPolarHBondContact O-CD 3.18Å; W261-R269 PolarHBondContact O-NH1 3.15Å; W261-L276 HydrophobicContact CE3-CD1 3.93Å; W261-L276 HydrophobicContact CZ3-CD1 3.74Å
262	V	94.3	Very high	93.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-41.4	176.4	175.7	0	0	0	0	111.3	V258 L259 H264 D265 I266 R269 V273 L276 L299	V258-V262 WeakPolarHBondContact O-CG2 3.43Å; V258-V262 PolarHBondContact O-N 3.37Å; L259-V262 PolarHBondContact O-N 3.09Å; V262-H264 PolarHBondContact O-N 2.8Å; V262-D265 CarbonylContact O-C 3.53Å; V262-D265 VanDerWaalsContact O-C 3.22Å; V262-D265 PolarHBondContact O-N 3.31Å; V262-I266 PolarHBondContact O-N 3.34Å; V262-R269 HydrophobicContact CG1-CB 4.27Å; V262-V273 HydrophobicContact CG1-CG2 3.82Å; V262-V273 HydrophobicContact CG2-CG2 4.16Å; V262-L276 HydrophobicContact CG2-CD1 3.62Å; V262-L299 HydrophobicContact CG1-CD1 4.04Å
263	K	93.3	Very high	93.2	Very high	97 Å²	97	50.6 Å²	50.6	42%	0.422	25%	0.249	S	C	.	.	H	α-helix	trans	-67.4	-20	-178.4	-74.4	178.9	-178.7	-177.4	0	113.4	L259 T260 D265 E297 L299	L259-K263 WeakPolarHBondContact O-CB 3.25Å; L259-K263 VanDerWaalsContact O-CG 3.29Å; L259-K263 WeakPolarHBondContact O-CG 3.16Å; L259-K263 PolarHBondContact O-N 2.91Å; T260-K263 PolarHBondContact O-N 2.87Å; K263-D265 VanDerWaalsContact C-N 3.33Å; K263-E297 WeakPolarHBondContact CE-OE1 3.21Å; K263-E297 VanDerWaalsContact NZ-CD 3.34Å; K263-E297 IonicContact NZ-OE1 3.52Å; K263-E297 PolarHBondContact NZ-OE1 2.79Å; K263-E297 IonicContact NZ-OE2 2.67Å; K263-E297 PolarHBondContact NZ-OE2 3.41Å; K263-L299 HydrophobicContact CG-CD1 4.06Å
264	H	93.4	Very high	93.3	Very high	102 Å²	102	48.8 Å²	48.8	47%	0.472	24%	0.24	S	C	.	.	H	α-helix	trans	-66.9	-32.2	174.7	-171.5	77.9	0	0	0	113.2	M230 T260 V262	M230-H264 HydrophobicContact CB-CB 4.43Å; T260-H264 PolarHBondContact O-N 2.82Å; T260-H264 VanDerWaalsContact O-N 3.13Å; V262-H264 PolarHBondContact O-N 2.8Å
265	D	92.4	Very high	93.2	Very high	66 Å²	66	55.1 Å²	55.1	35%	0.353	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	81	175.5	165.7	26.2	0	0	0	108.9	V262 K263 D267 G268 R269	V262-D265 CarbonylContact O-C 3.53Å; V262-D265 VanDerWaalsContact O-C 3.22Å; V262-D265 PolarHBondContact O-N 3.31Å; K263-D265 VanDerWaalsContact C-N 3.33Å; D265-D267 VanDerWaalsContact C-N 3.35Å; D265-D267 PolarHBondContact O-N 3.29Å; D265-G268 PolarHBondContact OD1-N 3.29Å; D265-R269 HydrophobicContact CB-CG 4.23Å; D265-R269 WeakPolarHBondContact O-CB 3.43Å; D265-R269 WeakPolarHBondContact O-CD 3.31Å; D265-R269 VanDerWaalsContact O-CG 3.24Å; D265-R269 WeakPolarHBondContact O-CG 3.17Å; D265-R269 PolarHBondContact O-N 3.34Å; D265-R269 IonicContact OD2-NE 3.41Å
266	I	91	Very high	93.1	Very high	77 Å²	77	54.9 Å²	54.9	40%	0.395	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-42.6	-173.5	-65	172	0	0	0	110.6	V262 R270 L299	V262-I266 PolarHBondContact O-N 3.34Å; I266-R270 WeakPolarHBondContact O-CB 3.09Å; I266-R270 PolarHBondContact O-N 3.43Å; I266-L299 HydrophobicContact CG2-CD2 4.31Å
267	D	88.9	Confident	93.1	Very high	157 Å²	157	50.7 Å²	50.7	84%	0.84	25%	0.248	S	C	*	.	H	α-helix	trans	-67.2	-42.2	-172.5	-63.5	-44.3	0	0	0	111.6	D265	D265-D267 VanDerWaalsContact C-N 3.35Å; D265-D267 PolarHBondContact O-N 3.29Å
268	G	90.3	Very high	93	Very high	33 Å²	33	55 Å²	55	34%	0.34	27%	0.265	S	S	.	.	H	α-helix	trans	-78.1	-34.2	177.1	0	0	0	0	0	114.2	D265 Q271	D265-G268 PolarHBondContact OD1-N 3.29Å; G268-Q271 PolarHBondContact O-NE2 2.96Å
269	R	92.8	Very high	92.9	Very high	28 Å²	28	56.2 Å²	56.2	11%	0.106	27%	0.274	C	S	.	.	H	α-helix	trans	-101.4	-14.1	-166	-57.7	170.9	-178.1	-171.8	-2.2	114.8	M230 W261 V262 D265 Q271 H272	M230-R269 PolarHBondContact O-NH1 2.91Å; M230-R269 PolarHBondContact O-NH2 3.3Å; W261-R269 VanDerWaalsContact CE2-NH1 3.29Å; W261-R269 HydrophobicContact CH2-CB 4.34Å; W261-R269 HydrophobicContact CH2-CG 3.79Å; W261-R269 HydrophobicContact CZ2-CG 4.46Å; W261-R269 HydrophobicContact CZ3-CB 3.91Å; W261-R269 HydrophobicContact CZ3-CG 3.82Å; W261-R269 WeakPolarHBondContact O-CD 3.18Å; W261-R269 PolarHBondContact O-NH1 3.15Å; V262-R269 HydrophobicContact CG1-CB 4.27Å; D265-R269 HydrophobicContact CB-CG 4.23Å; D265-R269 WeakPolarHBondContact O-CB 3.43Å; D265-R269 WeakPolarHBondContact O-CD 3.31Å; D265-R269 VanDerWaalsContact O-CG 3.24Å; D265-R269 WeakPolarHBondContact O-CG 3.17Å; D265-R269 PolarHBondContact O-N 3.34Å; D265-R269 IonicContact OD2-NE 3.41Å; R269-Q271 PolarHBondContact O-N 3.09Å; R269-Q271 VanDerWaalsContact O-N 3.13Å; R269-H272 PolarHBondContact O-N 3.41Å
270	R	90.8	Very high	92.9	Very high	104 Å²	104	55.6 Å²	55.6	39%	0.392	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-54.9	-34.5	-178.6	177.9	176.4	178.7	-171.1	-0.6	113.7	I266 H272 V273 L299 H302 H303	I266-R270 WeakPolarHBondContact O-CB 3.09Å; I266-R270 PolarHBondContact O-N 3.43Å; R270-H272 PolarHBondContact O-N 3.38Å; R270-V273 WeakPolarHBondContact O-CG2 3.44Å; R270-L299 HydrophobicContact CG-CD2 4.16Å; R270-H302 PolarHBondContact NH2-CE1 3.29Å; R270-H302 VanDerWaalsContact NH2-CE1 3.28Å; R270-H302 PolarHBondContact NH2-ND1 3.31Å; R270-H303 PolarHBondContact O-NE2 3.41Å
271	Q	91.2	Very high	92.9	Very high	132 Å²	132	52.8 Å²	52.8	62%	0.617	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-67.9	-21.4	177.8	61	-178.9	-9.7	0	0	113.7	G268 R269	G268-Q271 PolarHBondContact O-NE2 2.96Å; R269-Q271 PolarHBondContact O-N 3.09Å; R269-Q271 VanDerWaalsContact O-N 3.13Å
272	H	92.3	Very high	92.8	Very high	37 Å²	37	52.6 Å²	52.6	17%	0.171	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-93.2	-6.5	-176.1	-57.2	-50.3	0	0	0	113.8	L234 R269 R270 P274 W275 L276	L234-H272 HydrophobicContact CD1-CB 3.75Å; L234-H272 HydrophobicContact CD2-CB 4.02Å; L234-H272 VanDerWaalsContact CD2-CG 3.49Å; L234-H272 WeakPolarHBondContact CD2-ND1 3.23Å; R269-H272 PolarHBondContact O-N 3.41Å; R270-H272 PolarHBondContact O-N 3.38Å; H272-P274 VanDerWaalsContact C-CD 3.44Å; H272-P274 VanDerWaalsContact C-N 3.34Å; H272-W275 AromaticContact ND1-CE3 3.82Å; H272-W275 AromaticContact ND1-CZ3 3.55Å; H272-W275 PolarHBondContact O-N 3.47Å; H272-W275 VanDerWaalsContact O-N 3.11Å; H272-L276 PolarHBondContact O-N 3.13Å
273	V	93.4	Very high	92.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-50.4	-45.3	179.7	174.7	0	0	0	0	112.7	V262 R270 W275 L276 M277	V262-V273 HydrophobicContact CG1-CG2 3.82Å; V262-V273 HydrophobicContact CG2-CG2 4.16Å; R270-V273 WeakPolarHBondContact O-CG2 3.44Å; V273-W275 VanDerWaalsContact C-N 3.31Å; V273-W275 PolarHBondContact O-N 3.41Å; V273-L276 PolarHBondContact O-N 3.49Å; V273-M277 HydrophobicContact CG1-CE 4.31Å; V273-M277 HydrophobicContact CG1-CG 3.96Å; V273-M277 WeakPolarHBondContact O-CB 3.24Å; V273-M277 VanDerWaalsContact O-CG 3.3Å; V273-M277 WeakPolarHBondContact O-CG 3.28Å; V273-M277 PolarHBondContact O-N 2.84Å
274	P	93.3	Very high	92.7	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-39.4	180	-25.9	36.6	0	0	0	113.9	H272 K278 H303 E305	H272-P274 VanDerWaalsContact C-CD 3.44Å; H272-P274 VanDerWaalsContact C-N 3.34Å; P274-K278 WeakPolarHBondContact O-CG 3.43Å; P274-K278 PolarHBondContact O-N 2.91Å; P274-K278 VanDerWaalsContact O-N 3.15Å; P274-H303 HydrophobicContact CG-CB 3.89Å; P274-E305 HydrophobicContact CB-CB 4.13Å; P274-E305 WeakPolarHBondContact CB-OE2 3.37Å; P274-E305 WeakPolarHBondContact CG-OE2 3.38Å
275	W	93	Very high	92.7	Very high	133 Å²	133	44.7 Å²	44.7	50%	0.504	22%	0.217	S	C	.	.	H	α-helix	trans	-70.3	-38.4	179.8	-59.7	-16	0	0	0	112	L234 L238 H272 V273 K278 C279	L234-W275 HydrophobicContact CD2-CE3 4Å; L234-W275 HydrophobicContact CD2-CZ3 4.04Å; L238-W275 HydrophobicContact CD2-CB 4.38Å; H272-W275 AromaticContact ND1-CE3 3.82Å; H272-W275 AromaticContact ND1-CZ3 3.55Å; H272-W275 PolarHBondContact O-N 3.47Å; H272-W275 VanDerWaalsContact O-N 3.11Å; V273-W275 VanDerWaalsContact C-N 3.31Å; V273-W275 PolarHBondContact O-N 3.41Å; W275-K278 PolarHBondContact O-N 3.02Å; W275-C279 PolarHBondContact O-SG 3.14Å
276	L	94	Very high	92.7	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-43.5	175.8	-64.7	164.3	0	0	0	111.2	L234 V237 L238 I241 V258 W261 V262 H272 V273 K278 C279 V280	L234-L276 HydrophobicContact CD1-CD1 4.43Å; L234-L276 HydrophobicContact CD1-CD2 4.03Å; L234-L276 HydrophobicContact CD1-CG 4.24Å; V237-L276 HydrophobicContact CG1-CD2 3.95Å; L238-L276 HydrophobicContact CD2-CD2 3.79Å; L238-L276 HydrophobicContact CD2-CG 4.37Å; L238-L276 HydrophobicContact CG-CD2 4.16Å; I241-L276 HydrophobicContact CD1-CB 4.28Å; I241-L276 HydrophobicContact CD1-CD2 3.64Å; V258-L276 HydrophobicContact CG1-CB 3.65Å; V258-L276 HydrophobicContact CG1-CD1 4.14Å; V258-L276 HydrophobicContact CG1-CG 4.37Å; W261-L276 HydrophobicContact CE3-CD1 3.93Å; W261-L276 HydrophobicContact CZ3-CD1 3.74Å; V262-L276 HydrophobicContact CG2-CD1 3.62Å; H272-L276 PolarHBondContact O-N 3.13Å; V273-L276 PolarHBondContact O-N 3.49Å; L276-K278 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 2.82Å; L276-C279 WeakPolarHBondContact O-CB 3.27Å; L276-C279 PolarHBondContact O-N 2.88Å; L276-V280 PolarHBondContact O-N 3.3Å
277	M	93.9	Very high	92.7	Very high	1 Å²	1	48 Å²	48	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-28	179.7	-68.3	-61.8	161.5	0	0	113.1	Y255 V258 L259 V273 C279 V280 V300 L309 R330	Y255-M277 HydrophobicContact CD2-CE 4Å; Y255-M277 HydrophobicContact CD2-SD 3.9Å; Y255-M277 HydrophobicContact CE2-CE 3.6Å; Y255-M277 HydrophobicContact CE2-SD 3.75Å; V258-M277 HydrophobicContact CG1-CE 4.04Å; L259-M277 HydrophobicContact CD2-CE 3.78Å; L259-M277 HydrophobicContact CG-CE 4.3Å; V273-M277 HydrophobicContact CG1-CE 4.31Å; V273-M277 HydrophobicContact CG1-CG 3.96Å; V273-M277 WeakPolarHBondContact O-CB 3.24Å; V273-M277 VanDerWaalsContact O-CG 3.3Å; V273-M277 WeakPolarHBondContact O-CG 3.28Å; V273-M277 PolarHBondContact O-N 2.84Å; M277-C279 PolarHBondContact O-N 3.33Å; M277-V280 PolarHBondContact O-N 3.26Å; M277-V280 VanDerWaalsContact O-O 3.09Å; M277-V280 HydrophobicContact SD-CG2 4.42Å; M277-V300 HydrophobicContact CE-CG2 4.16Å; M277-L309 HydrophobicContact CB-CD1 3.97Å; M277-R330 PolarHBondContact O-NH1 3.07Å
278	K	93.3	Very high	92.8	Very high	93 Å²	93	45 Å²	45	40%	0.404	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-22.7	170	-74.2	174.7	-171.2	171.6	0	112.8	P274 W275 L276 E305 L309 R330	P274-K278 WeakPolarHBondContact O-CG 3.43Å; P274-K278 PolarHBondContact O-N 2.91Å; P274-K278 VanDerWaalsContact O-N 3.15Å; W275-K278 PolarHBondContact O-N 3.02Å; L276-K278 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 2.82Å; K278-E305 IonicContact NZ-OE1 3.89Å; K278-E305 PolarHBondContact NZ-OE1 3.4Å; K278-L309 HydrophobicContact CG-CD1 3.81Å; K278-L309 HydrophobicContact CG-CD2 4.31Å; K278-R330 PolarHBondContact O-NH1 3Å
279	C	94.1	Very high	92.9	Very high	28 Å²	28	44.1 Å²	44.1	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-91.7	-21.8	177.1	-56.2	0	0	0	0	113.5	I241 W275 L276 M277 R334	I241-C279 HydrophobicContact CB-CB 4.42Å; I241-C279 HydrophobicContact CD1-CB 3.62Å; I241-C279 HydrophobicContact CG1-CB 3.57Å; W275-C279 PolarHBondContact O-SG 3.14Å; L276-C279 WeakPolarHBondContact O-CB 3.27Å; L276-C279 PolarHBondContact O-N 2.88Å; M277-C279 PolarHBondContact O-N 3.33Å; C279-R334 PolarHBondContact O-NH2 3.18Å
280	V	94.7	Very high	92.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-80	126.5	173.7	-176.1	0	0	0	0	109.4	V254 Y255 V258 L276 M277 L282 R330	V254-V280 HydrophobicContact CG1-CG2 4.27Å; Y255-V280 HydrophobicContact CD2-CG1 4.37Å; V258-V280 HydrophobicContact CB-CG2 4.41Å; V258-V280 HydrophobicContact CG2-CG2 3.94Å; L276-V280 PolarHBondContact O-N 3.3Å; M277-V280 PolarHBondContact O-N 3.26Å; M277-V280 VanDerWaalsContact O-O 3.09Å; M277-V280 HydrophobicContact SD-CG2 4.42Å; V280-L282 HydrophobicContact CB-CD2 4.37Å; V280-L282 HydrophobicContact CG1-CD2 3.91Å; V280-L282 PolarHBondContact O-N 2.77Å; V280-R330 PolarHBondContact O-NH1 3.15Å; V280-R330 PolarHBondContact O-NH2 2.78Å
281	R	94.4	Very high	92.9	Very high	11 Å²	11	42.1 Å²	42.1	4%	0.042	19%	0.188	C	C	.	.			trans	-81.9	69.1	-175.9	-58.8	-175.7	-176.2	175.1	2.2	111.1	D244 E251 P283 L284 R330 R332 P333 R334	D244-R281 IonicContact OD1-CZ 3.78Å; D244-R281 IonicContact OD1-NH2 3.68Å; D244-R281 PolarHBondContact OD1-NH2 3.44Å; D244-R281 IonicContact OD2-NH2 2.87Å; E251-R281 HydrophobicContact CG-CB 3.87Å; E251-R281 WeakPolarHBondContact OE2-CB 3.4Å; E251-R281 PolarHBondContact OE2-N 3.45Å; E251-R281 VanDerWaalsContact OE2-N 3.13Å; R281-P283 VanDerWaalsContact C-N 3.28Å; R281-P283 VanDerWaalsContact O-N 3.15Å; R281-L284 HydrophobicContact CB-CD1 4.04Å; R281-L284 HydrophobicContact CB-CG 4.39Å; R281-L284 WeakPolarHBondContact O-CB 3.48Å; R281-L284 PolarHBondContact O-N 2.87Å; R281-R330 VanDerWaalsContact CB-O 3.31Å; R281-R330 WeakPolarHBondContact CB-O 3.41Å; R281-R332 VanDerWaalsContact CD-O 3.3Å; R281-R332 WeakPolarHBondContact CD-O 3.3Å; R281-R332 PolarHBondContact NH1-O 3.23Å; R281-P333 PolarHBondContact NH1-O 2.81Å; R281-R334 VanDerWaalsContact NH1-CA 3.31Å; R281-R334 VanDerWaalsContact NH1-CG 3.25Å
282	L	94	Very high	92.9	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-47.4	-39	-177.8	-60.7	-177.6	0	0	0	114.7	Y255 V280 L284 L285 L290 L309 A313	Y255-L282 HydrophobicContact CD2-CD2 4.28Å; V280-L282 HydrophobicContact CB-CD2 4.37Å; V280-L282 HydrophobicContact CG1-CD2 3.91Å; V280-L282 PolarHBondContact O-N 2.77Å; L282-L284 PolarHBondContact O-N 3.16Å; L282-L285 HydrophobicContact CD2-CD2 3.8Å; L282-L285 WeakPolarHBondContact O-CB 3.38Å; L282-L285 PolarHBondContact O-N 2.8Å; L282-L285 VanDerWaalsContact O-N 3.1Å; L282-L290 HydrophobicContact CB-CD2 4.45Å; L282-L309 HydrophobicContact CD1-CB 3.87Å; L282-A313 HydrophobicContact CB-CB 3.88Å
283	P	93.4	Very high	92.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.3	-12.7	177.2	-25.1	35.8	0	0	0	115.7	R281 A313 Y316 T331 L458	R281-P283 VanDerWaalsContact C-N 3.28Å; R281-P283 VanDerWaalsContact O-N 3.15Å; P283-A313 HydrophobicContact CG-CB 4.22Å; P283-Y316 HydrophobicContact CB-CD1 3.83Å; P283-Y316 HydrophobicContact CB-CD2 4.48Å; P283-Y316 HydrophobicContact CB-CE1 4.4Å; P283-Y316 HydrophobicContact CB-CG 3.87Å; P283-Y316 VanDerWaalsContact O-CD1 3.25Å; P283-Y316 WeakPolarHBondContact O-CD1 3.31Å; P283-Y316 WeakPolarHBondContact O-CE1 3.49Å; P283-T331 HydrophobicContact CB-CG2 3.75Å; P283-T331 HydrophobicContact CG-CG2 3.93Å; P283-L458 WeakPolarHBondContact O-CD1 3.29Å
284	L	92.3	Very high	92.6	Very high	33 Å²	33	41.2 Å²	41.2	17%	0.173	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-103.6	1.4	179.5	-58.1	178.9	0	0	0	113.1	E251 R281 L282 R332 P333	E251-L284 HydrophobicContact CG-CB 4.12Å; E251-L284 HydrophobicContact CG-CD1 4.41Å; R281-L284 HydrophobicContact CB-CD1 4.04Å; R281-L284 HydrophobicContact CB-CG 4.39Å; R281-L284 WeakPolarHBondContact O-CB 3.48Å; R281-L284 PolarHBondContact O-N 2.87Å; L282-L284 PolarHBondContact O-N 3.16Å; L284-R332 VanDerWaalsContact CD1-O 3.31Å; L284-R332 WeakPolarHBondContact CD1-O 3.39Å; L284-P333 HydrophobicContact CD1-CB 4.47Å; L284-P333 HydrophobicContact CD1-CG 4.32Å
285	L	93.6	Very high	92.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-75.1	150.9	171.5	-83.7	52	0	0	0	109.1	E251 E252 L282 F289 L290 V294 H317	E251-L285 HydrophobicContact CB-CD1 3.41Å; E251-L285 VanDerWaalsContact CB-CD1 3.41Å; E252-L285 HydrophobicContact CG-CG 4.21Å; L282-L285 HydrophobicContact CD2-CD2 3.8Å; L282-L285 WeakPolarHBondContact O-CB 3.38Å; L282-L285 PolarHBondContact O-N 2.8Å; L282-L285 VanDerWaalsContact O-N 3.1Å; L285-F289 HydrophobicContact CB-CD1 4.37Å; L285-F289 HydrophobicContact CD2-CD1 3.74Å; L285-F289 HydrophobicContact CD2-CE1 3.88Å; L285-F289 HydrophobicContact CG-CD1 4.02Å; L285-F289 HydrophobicContact CG-CE1 4.4Å; L285-L290 HydrophobicContact CB-CD1 4.39Å; L285-L290 HydrophobicContact CB-CD2 3.85Å; L285-L290 HydrophobicContact CB-CG 3.8Å; L285-L290 HydrophobicContact CD2-CD2 3.78Å; L285-L290 HydrophobicContact CG-CD2 4.46Å; L285-V294 HydrophobicContact CD2-CG2 3.91Å; L285-H317 PolarHBondContact O-CE1 2.97Å; L285-H317 PolarHBondContact O-NE2 2.94Å; L285-H317 VanDerWaalsContact O-NE2 3.14Å
286	R	91.5	Very high	92.2	Very high	115 Å²	115	40.8 Å²	40.8	43%	0.434	21%	0.205	S	C	.	.			trans	-64.3	146.2	172.6	-70.3	178.5	172.9	-175	-3.4	110.5	D288 F289 L290	R286-D288 VanDerWaalsContact C-N 3.26Å; R286-D288 PolarHBondContact O-N 2.82Å; R286-F289 HydrophobicContact CB-CB 4.41Å; R286-F289 PolarHBondContact O-N 2.81Å; R286-F289 VanDerWaalsContact O-N 3.09Å; R286-L290 PolarHBondContact O-N 2.95Å
287	R	91.6	Very high	92.1	Very high	98 Å²	98	42.7 Å²	42.7	37%	0.37	21%	0.214	S	C	.	.	H	α-helix	trans	-54	-45.4	-179.7	-176.5	-169.1	65	-166.3	-5.4	111.6	F289 L290 M291 L458 T459	R287-F289 VanDerWaalsContact C-N 3.3Å; R287-F289 PolarHBondContact O-N 2.79Å; R287-L290 PolarHBondContact O-N 3.26Å; R287-M291 WeakPolarHBondContact O-CG 3.46Å; R287-M291 PolarHBondContact O-N 2.8Å; R287-L458 WeakPolarHBondContact CB-O 3.44Å; R287-L458 PolarHBondContact N-O 2.97Å; R287-T459 HydrophobicContact CB-CG2 4.39Å
288	D	91.4	Very high	91.7	Very high	93 Å²	93	48 Å²	48	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-66.2	-37.1	-176.8	-58.4	-13.6	0	0	0	110.7	R286 M291 S292	R286-D288 VanDerWaalsContact C-N 3.26Å; R286-D288 PolarHBondContact O-N 2.82Å; D288-M291 PolarHBondContact O-N 2.82Å; D288-S292 VanDerWaalsContact O-CB 3.22Å; D288-S292 WeakPolarHBondContact O-CB 3.4Å; D288-S292 PolarHBondContact O-N 2.9Å; D288-S292 PolarHBondContact O-OG 3.35Å; D288-S292 VanDerWaalsContact O-OG 3.13Å
289	F	92.9	Very high	91.4	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.066	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-40.4	174.8	-171.6	-94.9	0	0	0	112.3	E252 Y255 R256 L285 R286 R287 M291 N293 V294	E252-F289 HydrophobicContact CB-CD1 4.43Å; E252-F289 HydrophobicContact CB-CE1 4.22Å; E252-F289 HydrophobicContact CB-CZ 4.28Å; E252-F289 HydrophobicContact CG-CD1 3.88Å; E252-F289 HydrophobicContact CG-CD2 4.39Å; E252-F289 HydrophobicContact CG-CE1 4.17Å; E252-F289 HydrophobicContact CG-CG 3.99Å; Y255-F289 AromaticContact CD1-CE1 3.54Å; Y255-F289 HydrophobicContact CD1-CE1 3.54Å; Y255-F289 AromaticContact CD1-CZ 3.61Å; Y255-F289 HydrophobicContact CD1-CZ 3.61Å; Y255-F289 AromaticContact CE1-CE1 3.99Å; Y255-F289 HydrophobicContact CE1-CE1 3.99Å; Y255-F289 HydrophobicContact CE1-CZ 4.03Å; Y255-F289 HydrophobicContact CG-CE1 4.09Å; R256-F289 HydrophobicContact CG-CZ 4.47Å; L285-F289 HydrophobicContact CB-CD1 4.37Å; L285-F289 HydrophobicContact CD2-CD1 3.74Å; L285-F289 HydrophobicContact CD2-CE1 3.88Å; L285-F289 HydrophobicContact CG-CD1 4.02Å; L285-F289 HydrophobicContact CG-CE1 4.4Å; R286-F289 HydrophobicContact CB-CB 4.41Å; R286-F289 PolarHBondContact O-N 2.81Å; R286-F289 VanDerWaalsContact O-N 3.09Å; R287-F289 VanDerWaalsContact C-N 3.3Å; R287-F289 PolarHBondContact O-N 2.79Å; F289-M291 VanDerWaalsContact C-N 3.33Å; F289-M291 PolarHBondContact O-N 3.48Å; F289-N293 HydrophobicContact CD1-CB 4.39Å; F289-N293 HydrophobicContact CD2-CB 4Å; F289-N293 WeakPolarHBondContact CD2-OD1 3.41Å; F289-N293 HydrophobicContact CE1-CB 4.16Å; F289-N293 HydrophobicContact CE2-CB 3.72Å; F289-N293 VanDerWaalsContact CE2-CG 3.47Å; F289-N293 HydrophobicContact CG-CB 4.33Å; F289-N293 HydrophobicContact CZ-CB 3.83Å; F289-N293 WeakPolarHBondContact O-CA 3.29Å; F289-N293 VanDerWaalsContact O-CB 3.31Å; F289-N293 WeakPolarHBondContact O-CB 3.31Å; F289-N293 PolarHBondContact O-N 3.36Å; F289-V294 HydrophobicContact CD1-CG2 4.25Å; F289-V294 HydrophobicContact CE1-CG2 4.15Å; F289-V294 PolarHBondContact O-N 3.17Å
290	L	92.3	Very high	91	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-57.9	-46.1	173.9	-74.2	172.2	0	0	0	111.6	L282 L285 R286 R287 V294 D295 L310 A313 H317	L282-L290 HydrophobicContact CB-CD2 4.45Å; L285-L290 HydrophobicContact CB-CD1 4.39Å; L285-L290 HydrophobicContact CB-CD2 3.85Å; L285-L290 HydrophobicContact CB-CG 3.8Å; L285-L290 HydrophobicContact CD2-CD2 3.78Å; L285-L290 HydrophobicContact CG-CD2 4.46Å; R286-L290 PolarHBondContact O-N 2.95Å; R287-L290 PolarHBondContact O-N 3.26Å; L290-V294 HydrophobicContact CD2-CB 4.28Å; L290-V294 HydrophobicContact CD2-CG2 3.99Å; L290-V294 WeakPolarHBondContact O-CA 3.23Å; L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 PolarHBondContact O-N 3.3Å; L290-V294 VanDerWaalsContact O-N 3.17Å; L290-D295 PolarHBondContact O-N 3.16Å; L290-L310 HydrophobicContact CD2-CD1 4.14Å; L290-A313 HydrophobicContact CD1-CB 4.17Å; L290-H317 WeakPolarHBondContact CD1-NE2 3.44Å
291	M	90.2	Very high	90.6	Very high	91 Å²	91	48.6 Å²	48.6	45%	0.448	24%	0.239	S	C	.	.	I	π-helix	trans	-75	-40.3	-177.8	-64.7	-58.9	-171.8	0	0	113	R287 D288 F289 L314	R287-M291 WeakPolarHBondContact O-CG 3.46Å; R287-M291 PolarHBondContact O-N 2.8Å; D288-M291 PolarHBondContact O-N 2.82Å; F289-M291 VanDerWaalsContact C-N 3.33Å; F289-M291 PolarHBondContact O-N 3.48Å; M291-L314 HydrophobicContact CE-CD1 4.39Å; M291-L314 HydrophobicContact CE-CD2 3.35Å; M291-L314 HydrophobicContact SD-CD2 4.22Å
292	S	91.3	Very high	90.3	Very high	78 Å²	78	53.1 Å²	53.1	55%	0.545	26%	0.261	S	S	.	.	I	π-helix	trans	-84.8	-28.7	-174.8	-62.7	0	0	0	0	113.9	D288 T296	D288-S292 VanDerWaalsContact O-CB 3.22Å; D288-S292 WeakPolarHBondContact O-CB 3.4Å; D288-S292 PolarHBondContact O-N 2.9Å; D288-S292 PolarHBondContact O-OG 3.35Å; D288-S292 VanDerWaalsContact O-OG 3.13Å; S292-T296 WeakPolarHBondContact O-CG2 3.33Å; S292-T296 PolarHBondContact O-OG1 2.62Å
293	N	90	Very high	90.1	Very high	71 Å²	71	55.1 Å²	55.1	38%	0.38	27%	0.27	S	S	.	.	I	π-helix	trans	-119.1	-34.1	-172.7	-62.2	74.6	0	0	0	113.9	Y255 F289 E297	Y255-N293 PolarHBondContact OH-O 2.96Å; F289-N293 HydrophobicContact CD1-CB 4.39Å; F289-N293 HydrophobicContact CD2-CB 4Å; F289-N293 WeakPolarHBondContact CD2-OD1 3.41Å; F289-N293 HydrophobicContact CE1-CB 4.16Å; F289-N293 HydrophobicContact CE2-CB 3.72Å; F289-N293 VanDerWaalsContact CE2-CG 3.47Å; F289-N293 HydrophobicContact CG-CB 4.33Å; F289-N293 HydrophobicContact CZ-CB 3.83Å; F289-N293 WeakPolarHBondContact O-CA 3.29Å; F289-N293 VanDerWaalsContact O-CB 3.31Å; F289-N293 WeakPolarHBondContact O-CB 3.31Å; F289-N293 PolarHBondContact O-N 3.36Å; N293-E297 WeakPolarHBondContact O-CB 3.37Å
294	V	90.3	Very high	89.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-89.4	-48.3	-176.3	-172.2	0	0	0	0	111.7	Y255 L285 F289 L290 T296 V300 L310	Y255-V294 HydrophobicContact CD2-CG2 4.31Å; Y255-V294 HydrophobicContact CE1-CG2 4.09Å; Y255-V294 HydrophobicContact CE2-CB 4.45Å; Y255-V294 HydrophobicContact CE2-CG1 4.11Å; Y255-V294 HydrophobicContact CE2-CG2 3.79Å; Y255-V294 WeakPolarHBondContact OH-CA 3.48Å; L285-V294 HydrophobicContact CD2-CG2 3.91Å; F289-V294 HydrophobicContact CD1-CG2 4.25Å; F289-V294 HydrophobicContact CE1-CG2 4.15Å; F289-V294 PolarHBondContact O-N 3.17Å; L290-V294 HydrophobicContact CD2-CB 4.28Å; L290-V294 HydrophobicContact CD2-CG2 3.99Å; L290-V294 WeakPolarHBondContact O-CA 3.23Å; L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 PolarHBondContact O-N 3.3Å; L290-V294 VanDerWaalsContact O-N 3.17Å; V294-T296 VanDerWaalsContact C-N 3.32Å; V294-T296 PolarHBondContact O-N 3.02Å; V294-V300 HydrophobicContact CG1-CG1 4.14Å; V294-L310 HydrophobicContact CG1-CD1 4.15Å
295	D	88.1	Confident	89.9	Confident	51 Å²	51	61.1 Å²	61.1	27%	0.273	31%	0.306	S	S	.	.	S	Bend	trans	-68.1	-30.2	177.5	-178	58.5	0	0	0	112.8	L290 R301 L310	L290-D295 PolarHBondContact O-N 3.16Å; D295-R301 WeakPolarHBondContact O-CD 3.41Å; D295-R301 WeakPolarHBondContact O-CG 3.49Å; D295-R301 VanDerWaalsContact O-CZ 3.27Å; D295-R301 PolarHBondContact O-NE 3.1Å; D295-R301 IonicContact OD1-CZ 3.52Å; D295-R301 IonicContact OD1-NE 3.68Å; D295-R301 IonicContact OD1-NH2 2.84Å; D295-R301 PolarHBondContact OD1-NH2 3.48Å; D295-R301 IonicContact OD2-CZ 3.63Å; D295-R301 IonicContact OD2-NH2 2.92Å; D295-R301 PolarHBondContact OD2-NH2 3.3Å; D295-L310 HydrophobicContact CB-CD2 4.08Å
296	T	89.2	Confident	89.8	Confident	77 Å²	77	61.2 Å²	61.2	47%	0.472	31%	0.307	S	S	.	.	S	Bend	trans	-80.2	-22	-178.5	57.8	0	0	0	0	113.5	S292 V294 L298	S292-T296 WeakPolarHBondContact O-CG2 3.33Å; S292-T296 PolarHBondContact O-OG1 2.62Å; V294-T296 VanDerWaalsContact C-N 3.32Å; V294-T296 PolarHBondContact O-N 3.02Å; T296-L298 PolarHBondContact O-N 2.82Å
297	E	90.9	Very high	89.7	Confident	40 Å²	40	60.9 Å²	60.9	19%	0.187	31%	0.308	C	S	.	.			trans	-74.7	117.6	-173.4	-176.8	70.3	-135.4	0	0	111.6	L259 K263 N293 L299 V300 R301	L259-E297 HydrophobicContact CD1-CG 4.09Å; L259-E297 HydrophobicContact CD2-CG 4.3Å; K263-E297 WeakPolarHBondContact CE-OE1 3.21Å; K263-E297 VanDerWaalsContact NZ-CD 3.34Å; K263-E297 IonicContact NZ-OE1 3.52Å; K263-E297 PolarHBondContact NZ-OE1 2.79Å; K263-E297 IonicContact NZ-OE2 2.67Å; K263-E297 PolarHBondContact NZ-OE2 3.41Å; N293-E297 WeakPolarHBondContact O-CB 3.37Å; E297-L299 VanDerWaalsContact C-N 3.25Å; E297-L299 HydrophobicContact CG-CB 4.24Å; E297-L299 PolarHBondContact O-N 3.39Å; E297-V300 HydrophobicContact CB-CG2 4.14Å; E297-V300 HydrophobicContact CG-CG2 4.14Å; E297-V300 PolarHBondContact O-N 2.96Å; E297-R301 PolarHBondContact O-N 3.35Å; E297-R301 VanDerWaalsContact O-N 3.1Å
298	L	87.2	Confident	89.7	Confident	112 Å²	112	61.1 Å²	61.1	59%	0.586	32%	0.317	S	S	*	.	H	α-helix	trans	-58.7	-35.6	-176.4	-67.1	175.1	0	0	0	112.8	T296 V300 R301 H302	T296-L298 PolarHBondContact O-N 2.82Å; L298-V300 PolarHBondContact O-N 3.05Å; L298-R301 PolarHBondContact O-N 2.91Å; L298-H302 PolarHBondContact O-N 3.11Å; L298-H302 VanDerWaalsContact O-N 3.14Å; L298-H302 PolarHBondContact O-ND1 3.03Å
299	L	86.1	Confident	89.8	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-31.7	178.1	-66.7	172.5	0	0	0	112.6	V262 K263 I266 R270 E297 H303	V262-L299 HydrophobicContact CG1-CD1 4.04Å; K263-L299 HydrophobicContact CG-CD1 4.06Å; I266-L299 HydrophobicContact CG2-CD2 4.31Å; R270-L299 HydrophobicContact CG-CD2 4.16Å; E297-L299 VanDerWaalsContact C-N 3.25Å; E297-L299 HydrophobicContact CG-CB 4.24Å; E297-L299 PolarHBondContact O-N 3.39Å; L299-H303 PolarHBondContact O-CD2 3.41Å
300	V	86.5	Confident	89.8	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-81.8	-45.3	177.9	-177.4	0	0	0	0	110	M277 V294 E297 L298 H302 H303 C306	M277-V300 HydrophobicContact CE-CG2 4.16Å; V294-V300 HydrophobicContact CG1-CG1 4.14Å; E297-V300 HydrophobicContact CB-CG2 4.14Å; E297-V300 HydrophobicContact CG-CG2 4.14Å; E297-V300 PolarHBondContact O-N 2.96Å; L298-V300 PolarHBondContact O-N 3.05Å; V300-H302 VanDerWaalsContact C-N 3.29Å; V300-H302 PolarHBondContact O-N 2.67Å; V300-H303 PolarHBondContact O-N 2.88Å; V300-C306 HydrophobicContact CG1-CB 3.73Å; V300-C306 WeakPolarHBondContact O-CB 3.42Å
301	R	86.3	Confident	89.7	Confident	114 Å²	114	62.8 Å²	62.8	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-26.7	-176.7	-62.6	-163.7	106.6	150.3	18.2	114.9	D295 E297 L298 H303 K307	D295-R301 WeakPolarHBondContact O-CD 3.41Å; D295-R301 WeakPolarHBondContact O-CG 3.49Å; D295-R301 VanDerWaalsContact O-CZ 3.27Å; D295-R301 PolarHBondContact O-NE 3.1Å; D295-R301 IonicContact OD1-CZ 3.52Å; D295-R301 IonicContact OD1-NE 3.68Å; D295-R301 IonicContact OD1-NH2 2.84Å; D295-R301 PolarHBondContact OD1-NH2 3.48Å; D295-R301 IonicContact OD2-CZ 3.63Å; D295-R301 IonicContact OD2-NH2 2.92Å; D295-R301 PolarHBondContact OD2-NH2 3.3Å; E297-R301 PolarHBondContact O-N 3.35Å; E297-R301 VanDerWaalsContact O-N 3.1Å; L298-R301 PolarHBondContact O-N 2.91Å; R301-H303 PolarHBondContact O-N 2.94Å; R301-K307 WeakPolarHBondContact O-CE 3.32Å; R301-K307 PolarHBondContact O-NZ 3.4Å
302	H	86.8	Confident	89.8	Confident	106 Å²	106	61 Å²	61	49%	0.491	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.3	-179.2	-74.1	135.2	0	0	0	113.6	R270 L298 V300	R270-H302 PolarHBondContact NH2-CE1 3.29Å; R270-H302 VanDerWaalsContact NH2-CE1 3.28Å; R270-H302 PolarHBondContact NH2-ND1 3.31Å; L298-H302 PolarHBondContact O-N 3.11Å; L298-H302 VanDerWaalsContact O-N 3.14Å; L298-H302 PolarHBondContact O-ND1 3.03Å; V300-H302 VanDerWaalsContact C-N 3.29Å; V300-H302 PolarHBondContact O-N 2.67Å
303	H	89.9	Confident	89.8	Confident	44 Å²	44	57.2 Å²	57.2	20%	0.204	29%	0.29	C	S	.	.			trans	-105.7	129.3	-177.6	-68.2	-67	0	0	0	111.1	R270 P274 L299 V300 R301 C306	R270-H303 PolarHBondContact O-NE2 3.41Å; P274-H303 HydrophobicContact CG-CB 3.89Å; L299-H303 PolarHBondContact O-CD2 3.41Å; V300-H303 PolarHBondContact O-N 2.88Å; R301-H303 PolarHBondContact O-N 2.94Å; H303-C306 HydrophobicContact CB-CB 4.25Å; H303-C306 PolarHBondContact O-N 2.71Å
304	S	89.6	Confident	89.9	Confident	85 Å²	85	56 Å²	56	59%	0.594	28%	0.283	S	S	*	.	H	α-helix	trans	-64.7	-41.1	178.2	50.3	0	0	0	0	112.3	C306 K307 D308	S304-C306 PolarHBondContact O-N 2.66Å; S304-K307 WeakPolarHBondContact O-CA 3.45Å; S304-K307 VanDerWaalsContact O-CB 3.3Å; S304-K307 WeakPolarHBondContact O-CB 3.44Å; S304-K307 PolarHBondContact O-N 2.97Å; S304-D308 PolarHBondContact O-N 2.93Å; S304-D308 VanDerWaalsContact O-N 3.16Å
305	E	91.8	Very high	90	Very high	74 Å²	74	60.5 Å²	60.5	35%	0.346	30%	0.302	S	S	.	.	H	α-helix	trans	-58.6	-36.1	179.3	-62.2	179.8	104	0	0	112.5	P274 K278 K307 D308 L309	P274-E305 HydrophobicContact CB-CB 4.13Å; P274-E305 WeakPolarHBondContact CB-OE2 3.37Å; P274-E305 WeakPolarHBondContact CG-OE2 3.38Å; K278-E305 IonicContact NZ-OE1 3.89Å; K278-E305 PolarHBondContact NZ-OE1 3.4Å; E305-K307 VanDerWaalsContact C-N 3.31Å; E305-K307 PolarHBondContact O-N 2.81Å; E305-D308 PolarHBondContact O-N 3.4Å; E305-L309 WeakPolarHBondContact O-CG 3.4Å; E305-L309 PolarHBondContact O-N 2.82Å
306	C	91.7	Very high	90.1	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-68	-32.1	176.1	-69.4	0	0	0	0	112.2	V300 H303 S304 L309 L310	V300-C306 HydrophobicContact CG1-CB 3.73Å; V300-C306 WeakPolarHBondContact O-CB 3.42Å; H303-C306 HydrophobicContact CB-CB 4.25Å; H303-C306 PolarHBondContact O-N 2.71Å; S304-C306 PolarHBondContact O-N 2.66Å; C306-L309 PolarHBondContact O-N 3.01Å; C306-L310 PolarHBondContact O-N 3.18Å
307	K	89.9	Confident	90.2	Very high	108 Å²	108	55.8 Å²	55.8	47%	0.47	27%	0.273	S	S	.	.	H	α-helix	trans	-67.4	-39.5	174.4	-62.9	179.2	-178.4	174.2	0	111	R301 S304 E305 L309 L310 I311	R301-K307 WeakPolarHBondContact O-CE 3.32Å; R301-K307 PolarHBondContact O-NZ 3.4Å; S304-K307 WeakPolarHBondContact O-CA 3.45Å; S304-K307 VanDerWaalsContact O-CB 3.3Å; S304-K307 WeakPolarHBondContact O-CB 3.44Å; S304-K307 PolarHBondContact O-N 2.97Å; E305-K307 VanDerWaalsContact C-N 3.31Å; E305-K307 PolarHBondContact O-N 2.81Å; K307-L309 VanDerWaalsContact C-N 3.32Å; K307-L309 PolarHBondContact O-N 3Å; K307-L310 WeakPolarHBondContact O-CB 3.36Å; K307-L310 PolarHBondContact O-N 2.86Å; K307-L310 VanDerWaalsContact O-N 3.14Å; K307-I311 VanDerWaalsContact O-CG1 3.24Å; K307-I311 WeakPolarHBondContact O-CG1 3Å; K307-I311 PolarHBondContact O-N 2.86Å
308	D	92.4	Very high	90.2	Very high	104 Å²	104	60.6 Å²	60.6	56%	0.556	30%	0.299	S	S	*	.	H	α-helix	trans	-61.9	-41.6	176.3	-62.5	-28.7	0	0	0	111.3	S304 E305 L310 I311 E312	S304-D308 PolarHBondContact O-N 2.93Å; S304-D308 VanDerWaalsContact O-N 3.16Å; E305-D308 PolarHBondContact O-N 3.4Å; D308-L310 VanDerWaalsContact C-N 3.34Å; D308-L310 PolarHBondContact O-N 2.98Å; D308-I311 PolarHBondContact O-N 2.85Å; D308-E312 PolarHBondContact O-N 3.03Å
309	L	92.7	Very high	90.2	Very high	20 Å²	20	58.7 Å²	58.7	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-34.7	174.1	-61.7	174.6	0	0	0	112.8	M277 K278 L282 E305 C306 K307 E312 A313	M277-L309 HydrophobicContact CB-CD1 3.97Å; K278-L309 HydrophobicContact CG-CD1 3.81Å; K278-L309 HydrophobicContact CG-CD2 4.31Å; L282-L309 HydrophobicContact CD1-CB 3.87Å; E305-L309 WeakPolarHBondContact O-CG 3.4Å; E305-L309 PolarHBondContact O-N 2.82Å; C306-L309 PolarHBondContact O-N 3.01Å; K307-L309 VanDerWaalsContact C-N 3.32Å; K307-L309 PolarHBondContact O-N 3Å; L309-E312 WeakPolarHBondContact O-CB 3.37Å; L309-A313 PolarHBondContact O-N 2.89Å; L309-A313 VanDerWaalsContact O-N 3.08Å
310	L	92.1	Very high	90.2	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-69	-41.4	174.5	-176.3	63.1	0	0	0	110.8	L290 V294 D295 C306 K307 D308 E312 A313 L314	L290-L310 HydrophobicContact CD2-CD1 4.14Å; V294-L310 HydrophobicContact CG1-CD1 4.15Å; D295-L310 HydrophobicContact CB-CD2 4.08Å; C306-L310 PolarHBondContact O-N 3.18Å; K307-L310 WeakPolarHBondContact O-CB 3.36Å; K307-L310 PolarHBondContact O-N 2.86Å; K307-L310 VanDerWaalsContact O-N 3.14Å; D308-L310 VanDerWaalsContact C-N 3.34Å; D308-L310 PolarHBondContact O-N 2.98Å; L310-E312 VanDerWaalsContact C-N 3.34Å; L310-A313 PolarHBondContact O-N 3.08Å; L310-L314 HydrophobicContact CD1-CG 4.46Å; L310-L314 HydrophobicContact CG-CD1 4.21Å; L310-L314 HydrophobicContact CG-CG 4.41Å; L310-L314 WeakPolarHBondContact O-CB 3.48Å; L310-L314 VanDerWaalsContact O-CG 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.36Å; L310-L314 PolarHBondContact O-N 2.99Å
311	I	90.8	Very high	90	Very high	107 Å²	107	61.3 Å²	61.3	55%	0.549	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-41.7	175.7	-67.6	162.6	0	0	0	110.5	K307 D308 A313 L314 K315	K307-I311 VanDerWaalsContact O-CG1 3.24Å; K307-I311 WeakPolarHBondContact O-CG1 3Å; K307-I311 PolarHBondContact O-N 2.86Å; D308-I311 PolarHBondContact O-N 2.85Å; I311-A313 PolarHBondContact O-N 2.8Å; I311-L314 PolarHBondContact O-N 3.27Å; I311-K315 WeakPolarHBondContact O-CB 3.36Å; I311-K315 PolarHBondContact O-N 2.86Å
312	E	92.3	Very high	89.9	Confident	53 Å²	53	60.1 Å²	60.1	25%	0.248	30%	0.3	C	S	.	.	H	α-helix	trans	-53.9	-52.3	171.5	-180	-162.3	-166.5	0	0	110.8	D308 L309 L310 K315 Y316 N328 R330	D308-E312 PolarHBondContact O-N 3.03Å; L309-E312 WeakPolarHBondContact O-CB 3.37Å; L310-E312 VanDerWaalsContact C-N 3.34Å; E312-K315 PolarHBondContact O-N 2.83Å; E312-Y316 PolarHBondContact O-N 2.77Å; E312-N328 PolarHBondContact OE1-ND2 3.29Å; E312-R330 IonicContact OE1-NE 3.56Å; E312-R330 IonicContact OE2-CZ 3.83Å; E312-R330 IonicContact OE2-NE 3.81Å; E312-R330 PolarHBondContact OE2-NE 3.02Å; E312-R330 IonicContact OE2-NH2 2.58Å
313	A	92.3	Very high	89.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-48.6	178.8	0	0	0	0	0	111.5	L282 P283 L290 L309 L310 I311 K315 Y316 H317	L282-A313 HydrophobicContact CB-CB 3.88Å; P283-A313 HydrophobicContact CG-CB 4.22Å; L290-A313 HydrophobicContact CD1-CB 4.17Å; L309-A313 PolarHBondContact O-N 2.89Å; L309-A313 VanDerWaalsContact O-N 3.08Å; L310-A313 PolarHBondContact O-N 3.08Å; I311-A313 PolarHBondContact O-N 2.8Å; A313-K315 VanDerWaalsContact C-N 3.3Å; A313-K315 PolarHBondContact O-N 3.37Å; A313-Y316 WeakPolarHBondContact O-CB 3.42Å; A313-Y316 PolarHBondContact O-N 3.24Å; A313-H317 PolarHBondContact O-CD2 3.16Å; A313-H317 PolarHBondContact O-N 2.58Å; A313-H317 VanDerWaalsContact O-N 3.11Å
314	L	91.5	Very high	89.4	Confident	44 Å²	44	54.3 Å²	54.3	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-39.9	178.4	-68.6	177.5	0	0	0	112.1	M291 L310 I311 Y316 H317 L318	M291-L314 HydrophobicContact CE-CD1 4.39Å; M291-L314 HydrophobicContact CE-CD2 3.35Å; M291-L314 HydrophobicContact SD-CD2 4.22Å; L310-L314 HydrophobicContact CD1-CG 4.46Å; L310-L314 HydrophobicContact CG-CD1 4.21Å; L310-L314 HydrophobicContact CG-CG 4.41Å; L310-L314 WeakPolarHBondContact O-CB 3.48Å; L310-L314 VanDerWaalsContact O-CG 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.36Å; L310-L314 PolarHBondContact O-N 2.99Å; I311-L314 PolarHBondContact O-N 3.27Å; L314-Y316 VanDerWaalsContact C-N 3.32Å; L314-Y316 PolarHBondContact O-N 3.42Å; L314-H317 PolarHBondContact O-N 3.36Å; L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.5Å; L314-L318 PolarHBondContact O-N 3.05Å
315	K	91.3	Very high	89.1	Confident	95 Å²	95	55.3 Å²	55.3	41%	0.413	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-41.2	174	-174.3	179.5	177.8	-177.2	0	111.7	I311 E312 A313 H317 L318 M319	I311-K315 WeakPolarHBondContact O-CB 3.36Å; I311-K315 PolarHBondContact O-N 2.86Å; E312-K315 PolarHBondContact O-N 2.83Å; A313-K315 VanDerWaalsContact C-N 3.3Å; A313-K315 PolarHBondContact O-N 3.37Å; K315-H317 VanDerWaalsContact C-N 3.29Å; K315-H317 PolarHBondContact O-N 3.33Å; K315-L318 PolarHBondContact O-N 2.78Å; K315-M319 HydrophobicContact CD-SD 4.5Å; K315-M319 HydrophobicContact CG-CE 4.49Å; K315-M319 HydrophobicContact CG-SD 3.92Å; K315-M319 PolarHBondContact O-N 3.49Å
316	Y	91.6	Very high	88.6	Confident	17 Å²	17	53.8 Å²	53.8	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-32.3	176.7	-173.4	-95.5	0	0	0	113.4	P283 E312 A313 L314 R323 L326 T331 L458	P283-Y316 HydrophobicContact CB-CD1 3.83Å; P283-Y316 HydrophobicContact CB-CD2 4.48Å; P283-Y316 HydrophobicContact CB-CE1 4.4Å; P283-Y316 HydrophobicContact CB-CG 3.87Å; P283-Y316 VanDerWaalsContact O-CD1 3.25Å; P283-Y316 WeakPolarHBondContact O-CD1 3.31Å; P283-Y316 WeakPolarHBondContact O-CE1 3.49Å; E312-Y316 PolarHBondContact O-N 2.77Å; A313-Y316 WeakPolarHBondContact O-CB 3.42Å; A313-Y316 PolarHBondContact O-N 3.24Å; L314-Y316 VanDerWaalsContact C-N 3.32Å; L314-Y316 PolarHBondContact O-N 3.42Å; Y316-R323 HydrophobicContact CD2-CG 4.03Å; Y316-R323 HydrophobicContact CE1-CG 4.17Å; Y316-R323 HydrophobicContact CE2-CB 3.88Å; Y316-R323 HydrophobicContact CE2-CG 3.53Å; Y316-R323 PolarHBondContact O-NE 3.03Å; Y316-L326 HydrophobicContact CD2-CB 4.28Å; Y316-T331 HydrophobicContact CD2-CG2 3.51Å; Y316-T331 HydrophobicContact CE2-CG2 3.49Å; Y316-T331 VanDerWaalsContact CE2-CG2 3.49Å; Y316-T331 HydrophobicContact CG-CG2 4.21Å; Y316-L458 HydrophobicContact CD1-CD1 4.24Å; Y316-L458 HydrophobicContact CE1-CD1 3.85Å
317	H	90.6	Very high	88.1	Confident	13 Å²	13	57.1 Å²	57.1	6%	0.06	30%	0.299	C	S	.	.	H	α-helix	trans	-77.8	-36.2	173.5	-76.3	-114.7	0	0	0	112.9	L285 L290 A313 L314 K315	L285-H317 PolarHBondContact O-CE1 2.97Å; L285-H317 PolarHBondContact O-NE2 2.94Å; L285-H317 VanDerWaalsContact O-NE2 3.14Å; L290-H317 WeakPolarHBondContact CD1-NE2 3.44Å; A313-H317 PolarHBondContact O-CD2 3.16Å; A313-H317 PolarHBondContact O-N 2.58Å; A313-H317 VanDerWaalsContact O-N 3.11Å; L314-H317 PolarHBondContact O-N 3.36Å; K315-H317 VanDerWaalsContact C-N 3.29Å; K315-H317 PolarHBondContact O-N 3.33Å
318	L	90.8	Very high	87.9	Confident	140 Å²	140	54.7 Å²	54.7	73%	0.733	29%	0.291	S	S	*	.	H	α-helix	trans	-75.9	-23.7	-178.4	-71.8	169.1	0	0	0	113.3	L314 K315 P320	L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.5Å; L314-L318 PolarHBondContact O-N 3.05Å; K315-L318 PolarHBondContact O-N 2.78Å; L318-P320 VanDerWaalsContact C-CD 3.43Å; L318-P320 WeakPolarHBondContact O-CD 3.34Å
319	M	88.3	Confident	87.6	Confident	73 Å²	73	53.9 Å²	53.9	36%	0.36	29%	0.293	S	S	.	.			trans	-122.8	66.7	-175.2	-60.1	178.5	178.4	0	0	112.1	K315 E321 Q322	K315-M319 HydrophobicContact CD-SD 4.5Å; K315-M319 HydrophobicContact CG-CE 4.49Å; K315-M319 HydrophobicContact CG-SD 3.92Å; K315-M319 PolarHBondContact O-N 3.49Å; M319-E321 VanDerWaalsContact C-N 3.28Å; M319-E321 PolarHBondContact O-N 2.76Å; M319-Q322 HydrophobicContact CB-CB 4.13Å; M319-Q322 HydrophobicContact CB-CG 4.34Å; M319-Q322 PolarHBondContact O-N 3.43Å; M319-Q322 VanDerWaalsContact O-N 3.09Å; M319-Q322 PolarHBondContact SD-OE1 2.7Å
320	P	85.3	Confident	87.4	Confident	18 Å²	18	54.2 Å²	54.2	12%	0.117	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.9	-32.4	-177.5	24.5	-33.3	0	0	0	113.4	L318 Q322 R323 L436	L318-P320 VanDerWaalsContact C-CD 3.43Å; L318-P320 WeakPolarHBondContact O-CD 3.34Å; P320-Q322 PolarHBondContact O-N 3.27Å; P320-R323 WeakPolarHBondContact O-CG 3.23Å; P320-R323 PolarHBondContact O-N 2.97Å; P320-L436 HydrophobicContact CB-CD1 3.93Å; P320-L436 HydrophobicContact CB-CD2 4.26Å
321	E	81.3	Confident	87.3	Confident	56 Å²	56	54 Å²	54	26%	0.262	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.9	-31.6	176.6	-59.7	81.1	-171.4	0	0	112.3	M319 R454 T507	M319-E321 VanDerWaalsContact C-N 3.28Å; M319-E321 PolarHBondContact O-N 2.76Å; E321-R454 IonicContact OE1-CZ 3.18Å; E321-R454 IonicContact OE1-NH1 3.58Å; E321-R454 PolarHBondContact OE1-NH1 3.37Å; E321-R454 IonicContact OE1-NH2 2.65Å; E321-R454 PolarHBondContact OE1-NH2 2.76Å; E321-T507 HydrophobicContact CB-CG2 4.04Å; E321-T507 HydrophobicContact CG-CG2 4.19Å
322	Q	84.2	Confident	87.1	Confident	89 Å²	89	55.5 Å²	55.5	42%	0.416	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-90.6	2.6	-175.3	-61	-171.7	-8.9	0	0	113.2	M319 P320 G324 V325 L326	M319-Q322 HydrophobicContact CB-CB 4.13Å; M319-Q322 HydrophobicContact CB-CG 4.34Å; M319-Q322 PolarHBondContact O-N 3.43Å; M319-Q322 VanDerWaalsContact O-N 3.09Å; M319-Q322 PolarHBondContact SD-OE1 2.7Å; P320-Q322 PolarHBondContact O-N 3.27Å; Q322-G324 PolarHBondContact O-N 3.28Å; Q322-G324 VanDerWaalsContact O-N 3.15Å; Q322-V325 PolarHBondContact O-N 3.46Å; Q322-L326 HydrophobicContact CB-CD1 4.1Å; Q322-L326 HydrophobicContact CB-CG 4.29Å; Q322-L326 WeakPolarHBondContact O-CG 3.38Å; Q322-L326 PolarHBondContact O-N 3.1Å
323	R	86.8	Confident	86.8	Confident	6 Å²	6	56.8 Å²	56.8	2%	0.023	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.9	-32	-179.6	-72.3	-176.4	174.2	169.5	9.3	113.5	Y316 P320 V325 S327 H434 G435 L436 D456	Y316-R323 HydrophobicContact CD2-CG 4.03Å; Y316-R323 HydrophobicContact CE1-CG 4.17Å; Y316-R323 HydrophobicContact CE2-CB 3.88Å; Y316-R323 HydrophobicContact CE2-CG 3.53Å; Y316-R323 PolarHBondContact O-NE 3.03Å; P320-R323 WeakPolarHBondContact O-CG 3.23Å; P320-R323 PolarHBondContact O-N 2.97Å; R323-V325 VanDerWaalsContact C-N 3.32Å; R323-V325 PolarHBondContact O-N 2.92Å; R323-S327 PolarHBondContact O-N 3.44Å; R323-H434 HydrophobicContact CB-CB 4.04Å; R323-H434 WeakPolarHBondContact CD-O 3.43Å; R323-G435 PolarHBondContact NH1-O 2.93Å; R323-L436 VanDerWaalsContact NH1-CD2 3.27Å; R323-D456 IonicContact CZ-OD1 3.36Å; R323-D456 IonicContact CZ-OD2 3.27Å; R323-D456 IonicContact NH1-OD1 3.07Å; R323-D456 PolarHBondContact NH1-OD1 2.86Å; R323-D456 IonicContact NH1-OD2 2.83Å; R323-D456 VanDerWaalsContact NH2-CG 3.33Å; R323-D456 IonicContact NH2-OD1 2.76Å; R323-D456 PolarHBondContact NH2-OD1 2.97Å; R323-D456 IonicContact NH2-OD2 2.92Å; R323-D456 PolarHBondContact NH2-OD2 2.87Å
324	G	80.3	Confident	86.6	Confident	22 Å²	22	57.6 Å²	57.6	23%	0.227	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-63	-37.2	174.1	0	0	0	0	0	113	Q322 S327	Q322-G324 PolarHBondContact O-N 3.28Å; Q322-G324 VanDerWaalsContact O-N 3.15Å; G324-S327 WeakPolarHBondContact O-CB 3.39Å
325	V	83.8	Confident	86.1	Confident	106 Å²	106	63 Å²	63	64%	0.642	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-35.9	-179.7	-177	0	0	0	0	111.6	Q322 R323 S327	Q322-V325 PolarHBondContact O-N 3.46Å; R323-V325 VanDerWaalsContact C-N 3.32Å; R323-V325 PolarHBondContact O-N 2.92Å; V325-S327 PolarHBondContact O-N 3.24Å; V325-S327 VanDerWaalsContact O-N 3.12Å
326	L	81.8	Confident	85.4	Confident	43 Å²	43	59.4 Å²	59.4	23%	0.225	31%	0.311	C	S	.	.	S	Bend	trans	-75.5	10.7	176.4	-62.2	172.9	0	0	0	113	Y316 Q322 N328 T331	Y316-L326 HydrophobicContact CD2-CB 4.28Å; Q322-L326 HydrophobicContact CB-CD1 4.1Å; Q322-L326 HydrophobicContact CB-CG 4.29Å; Q322-L326 WeakPolarHBondContact O-CG 3.38Å; Q322-L326 PolarHBondContact O-N 3.1Å; L326-N328 PolarHBondContact O-N 3.26Å; L326-T331 PolarHBondContact O-OG1 3.2Å
327	S	80.3	Confident	84.7	Confident	70 Å²	70	64 Å²	64	49%	0.49	33%	0.333	S	S	.	.			trans	-69.4	124.5	-177.2	-163.4	0	0	0	0	111.5	R323 G324 V325 T331	R323-S327 PolarHBondContact O-N 3.44Å; G324-S327 WeakPolarHBondContact O-CB 3.39Å; V325-S327 PolarHBondContact O-N 3.24Å; V325-S327 VanDerWaalsContact O-N 3.12Å; S327-T331 WeakPolarHBondContact CA-OG1 3.32Å
328	N	85.9	Confident	83.9	Confident	58 Å²	58	65.7 Å²	65.7	31%	0.31	36%	0.355	S	S	.	.	S	Bend	trans	-146.5	-178.9	176.4	66.4	23.4	0	0	0	108.9	E312 L326 R330 T331 R332	E312-N328 PolarHBondContact OE1-ND2 3.29Å; L326-N328 PolarHBondContact O-N 3.26Å; N328-R330 PolarHBondContact O-N 3.39Å; N328-R330 WeakPolarHBondContact OD1-CA 3.44Å; N328-R330 WeakPolarHBondContact OD1-CB 3.41Å; N328-R330 PolarHBondContact OD1-N 2.82Å; N328-T331 PolarHBondContact N-OG1 2.65Å; N328-T331 PolarHBondContact O-N 2.84Å; N328-T331 PolarHBondContact O-OG1 2.94Å; N328-T331 VanDerWaalsContact O-OG1 3.12Å; N328-T331 WeakPolarHBondContact OD1-CG2 3.35Å; N328-T331 PolarHBondContact OD1-N 2.78Å; N328-T331 PolarHBondContact OD1-OG1 3.16Å; N328-T331 VanDerWaalsContact OD1-OG1 3.14Å; N328-R332 WeakPolarHBondContact O-CG 3.49Å
329	S	85.2	Confident	83.5	Confident	87 Å²	87	60.3 Å²	60.3	61%	0.608	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.7	179.2	54.4	0	0	0	0	113.7
330	R	90.2	Very high	83.3	Confident	26 Å²	26	58.9 Å²	58.9	10%	0.098	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.9	-177.9	-65.7	169.3	54.3	72.7	4.7	114.2	M277 K278 V280 R281 E312 N328	M277-R330 PolarHBondContact O-NH1 3.07Å; K278-R330 PolarHBondContact O-NH1 3Å; V280-R330 PolarHBondContact O-NH1 3.15Å; V280-R330 PolarHBondContact O-NH2 2.78Å; R281-R330 VanDerWaalsContact CB-O 3.31Å; R281-R330 WeakPolarHBondContact CB-O 3.41Å; E312-R330 IonicContact OE1-NE 3.56Å; E312-R330 IonicContact OE2-CZ 3.83Å; E312-R330 IonicContact OE2-NE 3.81Å; E312-R330 PolarHBondContact OE2-NE 3.02Å; E312-R330 IonicContact OE2-NH2 2.58Å; N328-R330 PolarHBondContact O-N 3.39Å; N328-R330 WeakPolarHBondContact OD1-CA 3.44Å; N328-R330 WeakPolarHBondContact OD1-CB 3.41Å; N328-R330 PolarHBondContact OD1-N 2.82Å
331	T	88.2	Confident	83.6	Confident	10 Å²	10	58.9 Å²	58.9	6%	0.061	33%	0.327	C	S	.	.	S	Bend	trans	-104.2	3.5	178.9	50	0	0	0	0	112.8	P283 Y316 L326 S327 N328	P283-T331 HydrophobicContact CB-CG2 3.75Å; P283-T331 HydrophobicContact CG-CG2 3.93Å; Y316-T331 HydrophobicContact CD2-CG2 3.51Å; Y316-T331 HydrophobicContact CE2-CG2 3.49Å; Y316-T331 VanDerWaalsContact CE2-CG2 3.49Å; Y316-T331 HydrophobicContact CG-CG2 4.21Å; L326-T331 PolarHBondContact O-OG1 3.2Å; S327-T331 WeakPolarHBondContact CA-OG1 3.32Å; N328-T331 PolarHBondContact N-OG1 2.65Å; N328-T331 PolarHBondContact O-N 2.84Å; N328-T331 PolarHBondContact O-OG1 2.94Å; N328-T331 VanDerWaalsContact O-OG1 3.12Å; N328-T331 WeakPolarHBondContact OD1-CG2 3.35Å; N328-T331 PolarHBondContact OD1-N 2.78Å; N328-T331 PolarHBondContact OD1-OG1 3.16Å; N328-T331 VanDerWaalsContact OD1-OG1 3.14Å
332	R	87.4	Confident	84.2	Confident	140 Å²	140	56.2 Å²	56.2	53%	0.528	32%	0.315	S	S	.	.	S	Bend	trans	-100.1	135.9	174.4	-64.3	174.4	83.1	-129.2	5.4	109.1	R281 L284 N328	R281-R332 VanDerWaalsContact CD-O 3.3Å; R281-R332 WeakPolarHBondContact CD-O 3.3Å; R281-R332 PolarHBondContact NH1-O 3.23Å; L284-R332 VanDerWaalsContact CD1-O 3.31Å; L284-R332 WeakPolarHBondContact CD1-O 3.39Å; N328-R332 WeakPolarHBondContact O-CG 3.49Å
333	P	86.7	Confident	84.7	Confident	79 Å²	79	52 Å²	52	51%	0.513	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-64.6	155.8	172.8	-24.3	35.1	0	0	0	113.3	R281 L284	R281-P333 PolarHBondContact NH1-O 2.81Å; L284-P333 HydrophobicContact CD1-CB 4.47Å; L284-P333 HydrophobicContact CD1-CG 4.32Å
334	R	86.8	Confident	85.2	Confident	17 Å²	17	51.8 Å²	51.8	6%	0.064	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-71.8	150.3	176.2	-70.5	-174.1	-157.1	-99	-3.4	110.3	I241 S243 D244 E251 C279 R281	I241-R334 PolarHBondContact O-NH1 3.21Å; I241-R334 PolarHBondContact O-NH2 3.23Å; S243-R334 PolarHBondContact O-NH1 3.2Å; D244-R334 WeakPolarHBondContact O-CB 3.19Å; E251-R334 WeakPolarHBondContact OE1-CD 3.45Å; E251-R334 WeakPolarHBondContact OE1-CG 3.34Å; E251-R334 IonicContact OE1-CZ 3.9Å; E251-R334 IonicContact OE1-NE 2.62Å; E251-R334 PolarHBondContact OE1-NE 2.87Å; E251-R334 IonicContact OE1-NH2 3.7Å; E251-R334 PolarHBondContact OE1-NH2 3.13Å; E251-R334 IonicContact OE2-CZ 2.94Å; E251-R334 IonicContact OE2-NE 3.37Å; E251-R334 IonicContact OE2-NH2 3.97Å; E251-R334 PolarHBondContact OE2-NH2 3.2Å; C279-R334 PolarHBondContact O-NH2 3.18Å; R281-R334 VanDerWaalsContact NH1-CA 3.31Å; R281-R334 VanDerWaalsContact NH1-CG 3.25Å
335	R	81.4	Confident	86.1	Confident	157 Å²	157	50.7 Å²	50.7	59%	0.592	28%	0.284	S	S	*	.			trans	-132.3	109.7	178.3	-69.4	-167.1	-175.3	-161.7	-0.2	108.8	D244 N245 E625	D244-R335 CarbonylContact O-C 3.59Å; D244-R335 PolarHBondContact O-N 3.39Å; N245-R335 WeakPolarHBondContact CA-O 3.48Å; N245-R335 PolarHBondContact OD1-O 3.48Å; R335-E625 IonicContact NH1-OE1 2.71Å
336	C	76.4	Confident	86.7	Confident	20 Å²	20	45.7 Å²	45.7	14%	0.135	25%	0.253	C	S	.	.			trans	-72.2	138.9	-177	-165.6	0	0	0	0	111.9	N245 N247 G338 A339 L627	N245-C336 PolarHBondContact O-SG 3.2Å; N247-C336 HydrophobicContact CB-CB 4.14Å; C336-G338 PolarHBondContact O-N 3.48Å; C336-A339 WeakPolarHBondContact O-CB 3.24Å; C336-A339 PolarHBondContact O-N 3.5Å; C336-L627 HydrophobicContact CB-CD1 3.65Å; C336-L627 HydrophobicContact CB-CG 4.22Å; C336-L627 WeakPolarHBondContact SG-CD1 3.34Å
337	E	76.3	Confident	87.4	Confident	113 Å²	113	43.6 Å²	43.6	53%	0.528	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	128.7	178.3	-170.5	-178.6	167.5	0	0	111.5	N245	N245-E337 HydrophobicContact CB-CB 4.19Å; N245-E337 PolarHBondContact ND2-OE2 2.92Å; N245-E337 VanDerWaalsContact ND2-OE2 3.1Å
338	G	74.8	Confident	88.1	Confident	50 Å²	50	40.3 Å²	40.3	52%	0.515	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	2.9	-176.5	0	0	0	0	0	114.2	C336 S340 L627	C336-G338 PolarHBondContact O-N 3.48Å; G338-S340 PolarHBondContact O-N 3.37Å; G338-L627 VanDerWaalsContact C-CD2 3.46Å
339	A	81.3	Confident	88.5	Confident	27 Å²	27	37.8 Å²	37.8	22%	0.223	21%	0.207	C	C	.	.			trans	-60.6	133.6	166.5	0	0	0	0	0	109.1	C336 E625 L626 L627	C336-A339 WeakPolarHBondContact O-CB 3.24Å; C336-A339 PolarHBondContact O-N 3.5Å; A339-E625 HydrophobicContact CB-CB 4.04Å; A339-L626 WeakPolarHBondContact CA-O 3.06Å; A339-L627 HydrophobicContact CB-CD2 4.26Å; A339-L627 HydrophobicContact CB-CG 4.27Å
340	S	85.6	Confident	88.7	Confident	43 Å²	43	35.5 Å²	35.5	30%	0.301	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.9	177.2	-58.9	0	0	0	0	108.6	G338 V342 L626	G338-S340 PolarHBondContact O-N 3.37Å; S340-V342 PolarHBondContact O-N 3.49Å; S340-L626 PolarHBondContact N-O 3.39Å; S340-L626 PolarHBondContact O-N 3.42Å
341	P	90.3	Very high	88.5	Confident	17 Å²	17	40.6 Å²	40.6	11%	0.11	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.5	177.8	30.3	-33.7	0	0	0	110.3	T363 M577 D578 V623 L624	P341-T363 PolarHBondContact O-OG1 2.89Å; P341-M577 HydrophobicContact CB-CG 3.6Å; P341-M577 HydrophobicContact CB-SD 3.79Å; P341-M577 HydrophobicContact CG-CG 3.55Å; P341-M577 HydrophobicContact CG-SD 4.03Å; P341-D578 VanDerWaalsContact CG-CG 3.42Å; P341-D578 WeakPolarHBondContact CG-OD1 3.47Å; P341-D578 WeakPolarHBondContact CG-OD2 3.31Å; P341-V623 HydrophobicContact CB-CG1 3.55Å; P341-L624 CarbonylContact C-O 3.58Å; P341-L624 WeakPolarHBondContact CA-O 3.4Å
342	V	93.9	Very high	88.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.1	175.1	-179.7	0	0	0	0	107	S340 F344 A360 V623 L624 L626 F629	S340-V342 PolarHBondContact O-N 3.49Å; V342-F344 HydrophobicContact CB-CE2 3.83Å; V342-F344 HydrophobicContact CB-CZ 4.4Å; V342-F344 HydrophobicContact CG1-CD2 4.23Å; V342-F344 HydrophobicContact CG1-CE2 3.59Å; V342-F344 HydrophobicContact CG1-CZ 3.85Å; V342-F344 WeakPolarHBondContact O-CD2 3.46Å; V342-A360 HydrophobicContact CG1-CB 3.92Å; V342-V623 WeakPolarHBondContact O-CA 3.15Å; V342-L624 PolarHBondContact N-O 3.34Å; V342-L624 PolarHBondContact O-N 2.84Å; V342-L626 HydrophobicContact CB-CD1 4.14Å; V342-L626 HydrophobicContact CG2-CB 4.14Å; V342-L626 HydrophobicContact CG2-CD1 4.15Å; V342-L626 HydrophobicContact CG2-CG 4.4Å; V342-F629 HydrophobicContact CG1-CD1 3.82Å; V342-F629 HydrophobicContact CG1-CD2 4.46Å; V342-F629 HydrophobicContact CG1-CE1 3.8Å; V342-F629 HydrophobicContact CG1-CE2 4.45Å; V342-F629 HydrophobicContact CG1-CG 4.18Å; V342-F629 HydrophobicContact CG1-CZ 4.16Å; V342-F629 HydrophobicContact CG2-CB 3.84Å; V342-F629 HydrophobicContact CG2-CD1 3.88Å; V342-F629 HydrophobicContact CG2-CG 3.8Å
343	L	96.1	Very high	88.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.2	-179.5	178.3	162.1	0	0	0	109.2	A360 Y361 W368 V575 M577 Y582 V584 V621 V623	L343-A360 CarbonylContact O-C 3.47Å; L343-A360 VanDerWaalsContact O-CA 3.27Å; L343-A360 WeakPolarHBondContact O-CA 3.24Å; L343-Y361 HydrophobicContact CB-CD1 4.39Å; L343-Y361 PolarHBondContact N-O 2.89Å; L343-Y361 VanDerWaalsContact N-O 3.16Å; L343-Y361 PolarHBondContact O-N 2.99Å; L343-W368 HydrophobicContact CD2-CH2 3.54Å; L343-W368 HydrophobicContact CD2-CZ2 4.32Å; L343-W368 HydrophobicContact CD2-CZ3 4.25Å; L343-V575 HydrophobicContact CD1-CG2 3.42Å; L343-V575 VanDerWaalsContact CD1-CG2 3.42Å; L343-V575 HydrophobicContact CG-CG2 4.1Å; L343-M577 HydrophobicContact CB-CE 4.04Å; L343-M577 HydrophobicContact CB-SD 4.03Å; L343-M577 HydrophobicContact CD1-CE 4Å; L343-Y582 HydrophobicContact CD1-CD1 4.46Å; L343-Y582 HydrophobicContact CD1-CG 4.24Å; L343-V584 HydrophobicContact CD1-CG2 3.91Å; L343-V584 HydrophobicContact CD2-CG2 4.2Å; L343-V621 HydrophobicContact CD1-CG1 4.11Å; L343-V621 HydrophobicContact CD2-CG1 3.6Å; L343-V621 HydrophobicContact CG-CG1 3.64Å; L343-V623 HydrophobicContact CB-CG2 4.42Å
344	F	97.4	Very high	88.8	Confident	1 Å²	1	42.9 Å²	42.9	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.8	179.6	-69.9	-99.5	0	0	0	110.6	V342 V346 E359 A360 V371 L390 Y408 V621 A622 L624 L626 F629	V342-F344 HydrophobicContact CB-CE2 3.83Å; V342-F344 HydrophobicContact CB-CZ 4.4Å; V342-F344 HydrophobicContact CG1-CD2 4.23Å; V342-F344 HydrophobicContact CG1-CE2 3.59Å; V342-F344 HydrophobicContact CG1-CZ 3.85Å; V342-F344 WeakPolarHBondContact O-CD2 3.46Å; F344-V346 HydrophobicContact CB-CG2 4.3Å; F344-E359 CarbonylContact C-O 3.22Å; F344-E359 WeakPolarHBondContact CA-O 3.23Å; F344-A360 HydrophobicContact CD1-CB 3.72Å; F344-A360 HydrophobicContact CE1-CB 3.6Å; F344-A360 HydrophobicContact CG-CB 4.34Å; F344-A360 HydrophobicContact CZ-CB 4.11Å; F344-V371 HydrophobicContact CD1-CG2 4.34Å; F344-V371 HydrophobicContact CE1-CG1 4.31Å; F344-V371 HydrophobicContact CE1-CG2 4.48Å; F344-L390 HydrophobicContact CB-CD1 3.5Å; F344-L390 VanDerWaalsContact CB-CD1 3.5Å; F344-L390 HydrophobicContact CD1-CD1 3.67Å; F344-L390 HydrophobicContact CD2-CD1 3.94Å; F344-L390 HydrophobicContact CD2-CD2 4.43Å; F344-L390 HydrophobicContact CE1-CD1 4.36Å; F344-L390 HydrophobicContact CG-CD1 3.43Å; F344-L390 VanDerWaalsContact CG-CD1 3.43Å; F344-Y408 HydrophobicContact CD1-CE1 4.28Å; F344-Y408 HydrophobicContact CE1-CD1 4.38Å; F344-Y408 AromaticContact CE1-CE1 3.63Å; F344-Y408 HydrophobicContact CE1-CE1 3.63Å; F344-Y408 HydrophobicContact CZ-CE1 4.24Å; F344-V621 VanDerWaalsContact O-CA 3.24Å; F344-V621 WeakPolarHBondContact O-CA 3.39Å; F344-V621 WeakPolarHBondContact O-CG1 2.98Å; F344-A622 PolarHBondContact N-O 2.7Å; F344-A622 PolarHBondContact O-N 3.07Å; F344-L624 HydrophobicContact CD2-CD1 4.4Å; F344-L624 HydrophobicContact CE2-CB 4Å; F344-L624 HydrophobicContact CE2-CD1 3.96Å; F344-L624 HydrophobicContact CE2-CG 4.28Å; F344-L624 HydrophobicContact CZ-CD1 4.39Å; F344-L626 HydrophobicContact CE2-CD1 3.93Å; F344-L626 HydrophobicContact CZ-CD1 3.68Å; F344-F629 HydrophobicContact CZ-CE2 4.41Å
345	A	97.6	Very high	89.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115	170.3	0	0	0	0	0	109.3	C358 E359 W368 V584 M612 V619	A345-C358 WeakPolarHBondContact O-CA 3.14Å; A345-E359 PolarHBondContact N-O 3.02Å; A345-E359 PolarHBondContact O-N 3.45Å; A345-W368 HydrophobicContact CB-CH2 4.02Å; A345-W368 HydrophobicContact CB-CZ3 3.84Å; A345-V584 HydrophobicContact CB-CG1 4.46Å; A345-M612 HydrophobicContact CB-SD 3.53Å; A345-M612 VanDerWaalsContact CB-SD 3.53Å; A345-V619 HydrophobicContact CB-CG2 4.1Å
346	V	97.8	Very high	89.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.7	-168.5	174.4	0	0	0	0	110	F344 M374 V383 L390 A392 W415 G620	F344-V346 HydrophobicContact CB-CG2 4.3Å; V346-M374 HydrophobicContact CG1-CE 3.81Å; V346-M374 HydrophobicContact CG1-CG 4.37Å; V346-M374 HydrophobicContact CG1-SD 3.49Å; V346-M374 WeakPolarHBondContact CG1-SD 3.33Å; V346-V383 HydrophobicContact CB-CG1 4.39Å; V346-V383 HydrophobicContact CB-CG2 4Å; V346-V383 HydrophobicContact CG1-CG2 4.07Å; V346-V383 HydrophobicContact CG2-CG1 4.24Å; V346-L390 HydrophobicContact CG2-CD1 4.34Å; V346-A392 HydrophobicContact CG1-CB 4.32Å; V346-W415 HydrophobicContact CG1-CH2 3.75Å; V346-W415 HydrophobicContact CG1-CZ2 3.96Å; V346-W415 HydrophobicContact CG2-CH2 4.2Å; V346-W415 HydrophobicContact CG2-CZ2 4.18Å; V346-G620 PolarHBondContact N-O 2.84Å; V346-G620 PolarHBondContact O-N 2.92Å
347	G	96.2	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.			trans	61.8	-133.6	175.3	0	0	0	0	0	113.6	D357 R378 R616	G347-D357 PolarHBondContact N-O 2.75Å; G347-R378 CarbonylContact C-O 3.44Å; G347-R378 WeakPolarHBondContact CA-O 3.38Å; G347-R616 WeakPolarHBondContact O-CD 3.12Å; G347-R616 PolarHBondContact O-NH1 2.87Å
348	G	95.4	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.185	C	C	.	.			trans	88.9	-169.4	-171.7	0	0	0	0	0	112.5	H355 R378 S617 S618	G348-H355 WeakPolarHBondContact O-CB 3.46Å; G348-H355 PolarHBondContact O-N 2.7Å; G348-R378 PolarHBondContact N-O 2.74Å; G348-S617 CarbonylContact C-O 3.46Å; G348-S617 VanDerWaalsContact CA-O 3.32Å; G348-S617 WeakPolarHBondContact CA-O 3.32Å; G348-S618 WeakPolarHBondContact CA-O 3.45Å
349	G	92.9	Very high	92.5	Very high	5 Å²	5	28.6 Å²	28.6	5%	0.052	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.2	177.8	0	0	0	0	0	112.6	A353 S617	G349-A353 CarbonylContact C-O 3.51Å; G349-A353 WeakPolarHBondContact CA-O 3.36Å; G349-S617 PolarHBondContact N-O 3.27Å; G349-S617 PolarHBondContact O-N 2.79Å; G349-S617 PolarHBondContact O-OG 3.22Å
350	S	90.3	Very high	93.2	Very high	39 Å²	39	27.3 Å²	27.3	27%	0.273	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-174.7	170.7	62.9	0	0	0	0	109.6	F352 A353 H355	S350-F352 PolarHBondContact O-N 3.31Å; S350-A353 PolarHBondContact N-O 2.94Å; S350-A353 PolarHBondContact O-N 2.9Å; S350-A353 VanDerWaalsContact O-N 3.14Å; S350-H355 PolarHBondContact OG-CE1 2.82Å; S350-H355 PolarHBondContact OG-NE2 2.82Å
351	L	85.8	Confident	93.7	Very high	134 Å²	134	25.5 Å²	25.5	70%	0.702	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	112.9	179.4	-161.7	82.7	0	0	0	109.7	A353	L351-A353 VanDerWaalsContact C-N 3.27Å; L351-A353 PolarHBondContact O-N 3.41Å
352	F	83	Confident	93.7	Very high	202 Å²	202	24.9 Å²	24.9	89%	0.886	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	12.7	-178.2	-45.6	-65.9	0	0	0	117	S350	S350-F352 PolarHBondContact O-N 3.31Å
353	A	90.8	Very high	93.1	Very high	37 Å²	37	26.4 Å²	26.4	31%	0.306	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.3	-179.9	0	0	0	0	0	112.9	G349 S350 L351	G349-A353 CarbonylContact C-O 3.51Å; G349-A353 WeakPolarHBondContact CA-O 3.36Å; S350-A353 PolarHBondContact N-O 2.94Å; S350-A353 PolarHBondContact O-N 2.9Å; S350-A353 VanDerWaalsContact O-N 3.14Å; L351-A353 VanDerWaalsContact C-N 3.27Å; L351-A353 PolarHBondContact O-N 3.41Å
354	I	94.3	Very high	92.4	Very high	37 Å²	37	34.9 Å²	34.9	19%	0.19	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.7	169.7	-52.1	-60.3	0	0	0	108.5	R377 A379 Y396	I354-R377 HydrophobicContact CB-CB 4.48Å; I354-R377 HydrophobicContact CG2-CB 3.95Å; I354-R377 PolarHBondContact O-NH1 2.79Å; I354-A379 HydrophobicContact CD1-CB 3.74Å; I354-A379 HydrophobicContact CG2-CB 4.07Å; I354-Y396 HydrophobicContact CD1-CD1 4.47Å
355	H	93.1	Very high	91.9	Very high	17 Å²	17	37.2 Å²	37.2	8%	0.079	19%	0.188	C	C	.	.			trans	-99.2	139.8	-171.6	-62.9	176	0	0	0	110.2	G348 S350 D357 R378 T614 R615	G348-H355 WeakPolarHBondContact O-CB 3.46Å; G348-H355 PolarHBondContact O-N 2.7Å; S350-H355 PolarHBondContact OG-CE1 2.82Å; S350-H355 PolarHBondContact OG-NE2 2.82Å; H355-D357 VanDerWaalsContact CB-OD1 3.24Å; H355-D357 WeakPolarHBondContact CB-OD1 3.49Å; H355-D357 IonicContact CG-OD1 2.77Å; H355-R378 PolarHBondContact O-N 3.01Å; H355-T614 WeakPolarHBondContact CE1-CG2 3.01Å; H355-T614 WeakPolarHBondContact ND1-CG2 3.48Å; H355-R615 PolarHBondContact CE1-O 3.48Å; H355-R615 VanDerWaalsContact CE1-O 3.3Å
356	G	92.9	Very high	91.4	Very high	6 Å²	6	40.4 Å²	40.4	6%	0.062	21%	0.205	C	C	.	.			trans	-111.1	-15.4	167.4	0	0	0	0	0	112	S373 M374	G356-S373 CarbonylContact O-C 3.5Å; G356-S373 WeakPolarHBondContact O-CA 3.4Å; G356-S373 WeakPolarHBondContact O-CB 3.34Å; G356-M374 PolarHBondContact O-N 2.72Å
357	D	95.1	Very high	91.1	Very high	35 Å²	35	48.6 Å²	48.6	19%	0.187	24%	0.236	C	C	.	.			trans	-66.5	147	175.8	53.2	-61.2	0	0	0	111.5	G347 H355 M370 S373 T614 R616	G347-D357 PolarHBondContact N-O 2.75Å; H355-D357 VanDerWaalsContact CB-OD1 3.24Å; H355-D357 WeakPolarHBondContact CB-OD1 3.49Å; H355-D357 IonicContact CG-OD1 2.77Å; D357-M370 HydrophobicContact CB-CE 4.02Å; D357-S373 WeakPolarHBondContact CA-OG 3.14Å; D357-T614 PolarHBondContact OD2-OG1 2.98Å; D357-R616 PolarHBondContact O-NH1 3.2Å; D357-R616 PolarHBondContact O-NH2 3.07Å; D357-R616 IonicContact OD1-NH1 3.45Å; D357-R616 IonicContact OD2-CZ 3.51Å; D357-R616 IonicContact OD2-NH1 3.26Å; D357-R616 PolarHBondContact OD2-NH1 2.76Å; D357-R616 IonicContact OD2-NH2 3.75Å; D357-R616 PolarHBondContact OD2-NH2 2.86Å
358	C	96.8	Very high	91	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.9	-175.7	-61.9	0	0	0	0	109.1	A345 V371	A345-C358 WeakPolarHBondContact O-CA 3.14Å; C358-V371 HydrophobicContact CB-CG2 3.58Å; C358-V371 WeakPolarHBondContact O-CG2 3.21Å; C358-V371 PolarHBondContact O-N 3.46Å
359	E	96.1	Very high	91	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.6	-179.1	-60.5	171.7	-108.8	0	0	109.7	F344 A345 W368 H369 M370 F613 T614 R616	F344-E359 CarbonylContact C-O 3.22Å; F344-E359 WeakPolarHBondContact CA-O 3.23Å; A345-E359 PolarHBondContact N-O 3.02Å; A345-E359 PolarHBondContact O-N 3.45Å; E359-W368 HydrophobicContact CB-CE3 3.62Å; E359-W368 HydrophobicContact CB-CZ3 3.89Å; E359-H369 CarbonylContact C-O 3.58Å; E359-H369 WeakPolarHBondContact CA-O 3.28Å; E359-M370 HydrophobicContact CG-CE 4.34Å; E359-M370 HydrophobicContact CG-SD 3.63Å; E359-F613 HydrophobicContact CG-CD2 4.37Å; E359-F613 WeakPolarHBondContact OE2-CA 3.37Å; E359-F613 VanDerWaalsContact OE2-CB 3.23Å; E359-F613 WeakPolarHBondContact OE2-CB 3.48Å; E359-F613 WeakPolarHBondContact OE2-CD2 3.43Å; E359-F613 WeakPolarHBondContact OE2-CG 3.41Å; E359-F613 PolarHBondContact OE2-N 2.83Å; E359-T614 VanDerWaalsContact OE1-CB 3.29Å; E359-T614 WeakPolarHBondContact OE1-CB 3.45Å; E359-T614 PolarHBondContact OE1-N 3.43Å; E359-R616 IonicContact OE1-CZ 3.59Å; E359-R616 VanDerWaalsContact OE1-CZ 3.27Å; E359-R616 IonicContact OE1-NE 2.69Å; E359-R616 PolarHBondContact OE1-NE 2.72Å; E359-R616 IonicContact OE1-NH2 2.8Å; E359-R616 PolarHBondContact OE1-NH2 3.13Å
360	A	96.6	Very high	91.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.2	179.9	0	0	0	0	0	110.4	V342 L343 F344 W368 H369 V371 F629	V342-A360 HydrophobicContact CG1-CB 3.92Å; L343-A360 CarbonylContact O-C 3.47Å; L343-A360 VanDerWaalsContact O-CA 3.27Å; L343-A360 WeakPolarHBondContact O-CA 3.24Å; F344-A360 HydrophobicContact CD1-CB 3.72Å; F344-A360 HydrophobicContact CE1-CB 3.6Å; F344-A360 HydrophobicContact CG-CB 4.34Å; F344-A360 HydrophobicContact CZ-CB 4.11Å; A360-W368 CarbonylContact O-C 3.42Å; A360-W368 WeakPolarHBondContact O-CA 3.1Å; A360-H369 PolarHBondContact N-O 2.74Å; A360-H369 PolarHBondContact O-N 3.34Å; A360-V371 HydrophobicContact CB-CG1 3.74Å; A360-F629 HydrophobicContact CB-CE1 3.87Å; A360-F629 HydrophobicContact CB-CE2 4.31Å; A360-F629 HydrophobicContact CB-CZ 3.43Å; A360-F629 VanDerWaalsContact CB-CZ 3.43Å
361	Y	94.8	Very high	91.3	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.4	-178.1	176.4	-113.6	0	0	0	110.3	L343 T363 D366 R367 W368 M577 Y582	L343-Y361 HydrophobicContact CB-CD1 4.39Å; L343-Y361 PolarHBondContact N-O 2.89Å; L343-Y361 VanDerWaalsContact N-O 3.16Å; L343-Y361 PolarHBondContact O-N 2.99Å; Y361-T363 HydrophobicContact CD1-CG2 4.14Å; Y361-T363 HydrophobicContact CE1-CG2 3.95Å; Y361-D366 VanDerWaalsContact CE2-OD1 3.27Å; Y361-D366 WeakPolarHBondContact CE2-OD1 3.46Å; Y361-D366 VanDerWaalsContact CZ-OD1 3.27Å; Y361-D366 PolarHBondContact OH-OD1 2.98Å; Y361-R367 WeakPolarHBondContact CA-O 3.29Å; Y361-W368 AromaticContact CD2-CD1 3.74Å; Y361-W368 HydrophobicContact CD2-CD2 4.09Å; Y361-W368 AromaticContact CD2-CE2 3.66Å; Y361-W368 HydrophobicContact CD2-CG 4.13Å; Y361-W368 HydrophobicContact CD2-CZ2 4.18Å; Y361-W368 AromaticContact CD2-NE1 3.42Å; Y361-W368 HydrophobicContact CG-CD2 4.34Å; Y361-W368 AromaticContact CG-CE2 3.87Å; Y361-W368 AromaticContact CG-CZ2 3.95Å; Y361-W368 HydrophobicContact CG-CZ2 3.95Å; Y361-M577 HydrophobicContact CD1-CE 4.35Å; Y361-M577 HydrophobicContact CE1-CE 4.45Å; Y361-Y582 AromaticContact CE1-CE1 3.95Å; Y361-Y582 HydrophobicContact CE1-CE1 3.95Å
362	D	90.1	Very high	91.8	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	111.2	172.5	176.1	9.7	0	0	0	109.4	R364 T365 D366 R367 F629	D362-R364 PolarHBondContact O-N 3.07Å; D362-R364 VanDerWaalsContact OD1-CB 3.3Å; D362-R364 WeakPolarHBondContact OD1-CB 3.47Å; D362-R364 PolarHBondContact OD1-N 2.87Å; D362-R364 IonicContact OD2-NH2 2.62Å; D362-T365 WeakPolarHBondContact CB-OG1 3.34Å; D362-T365 VanDerWaalsContact CG-OG1 3.24Å; D362-T365 PolarHBondContact O-N 2.84Å; D362-T365 WeakPolarHBondContact OD2-CB 3.12Å; D362-T365 VanDerWaalsContact OD2-CG2 3.24Å; D362-T365 WeakPolarHBondContact OD2-CG2 3.21Å; D362-T365 PolarHBondContact OD2-OG1 2.82Å; D362-D366 WeakPolarHBondContact O-CA 3.38Å; D362-D366 PolarHBondContact O-N 2.94Å; D362-R367 PolarHBondContact N-O 3.39Å; D362-R367 PolarHBondContact O-N 3.14Å; D362-F629 HydrophobicContact CB-CD1 4.21Å
363	T	82.1	Confident	92.4	Very high	33 Å²	33	42 Å²	42	20%	0.202	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.7	-179.6	59	0	0	0	0	113	P341 Y361 M577	P341-T363 PolarHBondContact O-OG1 2.89Å; Y361-T363 HydrophobicContact CD1-CG2 4.14Å; Y361-T363 HydrophobicContact CE1-CG2 3.95Å; T363-M577 HydrophobicContact CG2-CE 3.22Å; T363-M577 HydrophobicContact CG2-CG 4.35Å; T363-M577 HydrophobicContact CG2-SD 3.44Å; T363-M577 WeakPolarHBondContact CG2-SD 3.35Å
364	R	82.3	Confident	92.7	Very high	179 Å²	179	40.8 Å²	40.8	68%	0.675	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-35.7	-177.8	-174.2	-174.1	61.4	84.5	4.9	111.6	D362	D362-R364 PolarHBondContact O-N 3.07Å; D362-R364 VanDerWaalsContact OD1-CB 3.3Å; D362-R364 WeakPolarHBondContact OD1-CB 3.47Å; D362-R364 PolarHBondContact OD1-N 2.87Å; D362-R364 IonicContact OD2-NH2 2.62Å
365	T	85.9	Confident	92.7	Very high	49 Å²	49	43.5 Å²	43.5	30%	0.301	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-7.1	-179.2	59.9	0	0	0	0	113.4	D362 R367	D362-T365 WeakPolarHBondContact CB-OG1 3.34Å; D362-T365 VanDerWaalsContact CG-OG1 3.24Å; D362-T365 PolarHBondContact O-N 2.84Å; D362-T365 WeakPolarHBondContact OD2-CB 3.12Å; D362-T365 VanDerWaalsContact OD2-CG2 3.24Å; D362-T365 WeakPolarHBondContact OD2-CG2 3.21Å; D362-T365 PolarHBondContact OD2-OG1 2.82Å; T365-R367 VanDerWaalsContact C-N 3.25Å; T365-R367 WeakPolarHBondContact O-CG 3.24Å; T365-R367 PolarHBondContact O-N 3.39Å
366	D	87.9	Confident	92.8	Very high	68 Å²	68	44.8 Å²	44.8	36%	0.364	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	42.4	-174.7	-168.6	20.9	0	0	0	111.7	Y361 D362 S610	Y361-D366 VanDerWaalsContact CE2-OD1 3.27Å; Y361-D366 WeakPolarHBondContact CE2-OD1 3.46Å; Y361-D366 VanDerWaalsContact CZ-OD1 3.27Å; Y361-D366 PolarHBondContact OH-OD1 2.98Å; D362-D366 WeakPolarHBondContact O-CA 3.38Å; D362-D366 PolarHBondContact O-N 2.94Å; D366-S610 VanDerWaalsContact CG-OG 3.26Å; D366-S610 WeakPolarHBondContact O-CB 3.3Å; D366-S610 PolarHBondContact O-OG 2.93Å; D366-S610 VanDerWaalsContact OD1-CB 3.32Å; D366-S610 WeakPolarHBondContact OD1-CB 3.42Å; D366-S610 PolarHBondContact OD1-OG 3.21Å; D366-S610 VanDerWaalsContact OD1-OG 3.08Å; D366-S610 PolarHBondContact OD2-OG 2.96Å
367	R	91.6	Very high	93	Very high	172 Å²	172	52.1 Å²	52.1	65%	0.649	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.6	-175.2	-73.1	179.1	-175.4	-138.5	0.4	112.7	Y361 D362 T365	Y361-R367 WeakPolarHBondContact CA-O 3.29Å; D362-R367 PolarHBondContact N-O 3.39Å; D362-R367 PolarHBondContact O-N 3.14Å; T365-R367 VanDerWaalsContact C-N 3.25Å; T365-R367 WeakPolarHBondContact O-CG 3.24Å; T365-R367 PolarHBondContact O-N 3.39Å
368	W	94.4	Very high	93	Very high	14 Å²	14	50.5 Å²	50.5	5%	0.053	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	145.3	172.1	-72.9	89.7	0	0	0	110.9	L343 A345 E359 A360 Y361 V584 I596 S610 C611 M612 F613	L343-W368 HydrophobicContact CD2-CH2 3.54Å; L343-W368 HydrophobicContact CD2-CZ2 4.32Å; L343-W368 HydrophobicContact CD2-CZ3 4.25Å; A345-W368 HydrophobicContact CB-CH2 4.02Å; A345-W368 HydrophobicContact CB-CZ3 3.84Å; E359-W368 HydrophobicContact CB-CE3 3.62Å; E359-W368 HydrophobicContact CB-CZ3 3.89Å; A360-W368 CarbonylContact O-C 3.42Å; A360-W368 WeakPolarHBondContact O-CA 3.1Å; Y361-W368 AromaticContact CD2-CD1 3.74Å; Y361-W368 HydrophobicContact CD2-CD2 4.09Å; Y361-W368 AromaticContact CD2-CE2 3.66Å; Y361-W368 HydrophobicContact CD2-CG 4.13Å; Y361-W368 HydrophobicContact CD2-CZ2 4.18Å; Y361-W368 AromaticContact CD2-NE1 3.42Å; Y361-W368 HydrophobicContact CG-CD2 4.34Å; Y361-W368 AromaticContact CG-CE2 3.87Å; Y361-W368 AromaticContact CG-CZ2 3.95Å; Y361-W368 HydrophobicContact CG-CZ2 3.95Å; W368-V584 HydrophobicContact CH2-CG1 4.43Å; W368-I596 HydrophobicContact CH2-CD1 4.35Å; W368-I596 HydrophobicContact CZ2-CD1 3.23Å; W368-I596 HydrophobicContact CZ2-CG1 4.01Å; W368-S610 PolarHBondContact NE1-O 2.84Å; W368-C611 PolarHBondContact NE1-O 2.82Å; W368-M612 HydrophobicContact CD2-CB 4.49Å; W368-M612 HydrophobicContact CD2-CG 4.06Å; W368-M612 HydrophobicContact CE3-CG 4.16Å; W368-M612 HydrophobicContact CH2-CG 3.56Å; W368-M612 HydrophobicContact CH2-SD 3.95Å; W368-M612 HydrophobicContact CZ2-CG 3.51Å; W368-M612 HydrophobicContact CZ2-SD 4.41Å; W368-M612 HydrophobicContact CZ3-CG 3.91Å; W368-M612 HydrophobicContact CZ3-SD 4.3Å; W368-F613 HydrophobicContact CB-CD2 4.11Å; W368-F613 HydrophobicContact CB-CE2 3.6Å; W368-F613 HydrophobicContact CB-CZ 3.96Å; W368-F613 WeakPolarHBondContact O-CE2 3.35Å; W368-F613 VanDerWaalsContact O-CZ 3.23Å; W368-F613 WeakPolarHBondContact O-CZ 3.27Å
369	H	94.2	Very high	93	Very high	44 Å²	44	50.7 Å²	50.7	20%	0.204	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136	177.9	-63.9	-82.7	0	0	0	109.4	E359 A360 F629	E359-H369 CarbonylContact C-O 3.58Å; E359-H369 WeakPolarHBondContact CA-O 3.28Å; A360-H369 PolarHBondContact N-O 2.74Å; A360-H369 PolarHBondContact O-N 3.34Å; H369-F629 HydrophobicContact CB-CE1 4.29Å; H369-F629 HydrophobicContact CB-CZ 4.33Å; H369-F629 AromaticContact CD2-CE1 3.91Å
370	M	94.3	Very high	93	Very high	74 Å²	74	54.7 Å²	54.7	37%	0.365	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.9	169.7	-67.8	-61.8	-52.5	0	0	109.4	D357 E359 F613	D357-M370 HydrophobicContact CB-CE 4.02Å; E359-M370 HydrophobicContact CG-CE 4.34Å; E359-M370 HydrophobicContact CG-SD 3.63Å; M370-F613 HydrophobicContact CG-CD2 4.28Å; M370-F613 HydrophobicContact CG-CE2 4.46Å; M370-F613 HydrophobicContact SD-CD2 3.93Å
371	V	95.3	Very high	93.1	Very high	14 Å²	14	55 Å²	55	9%	0.085	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	173.9	172.3	-61.7	0	0	0	0	109.9	F344 C358 A360 S373 F629	F344-V371 HydrophobicContact CD1-CG2 4.34Å; F344-V371 HydrophobicContact CE1-CG1 4.31Å; F344-V371 HydrophobicContact CE1-CG2 4.48Å; C358-V371 HydrophobicContact CB-CG2 3.58Å; C358-V371 WeakPolarHBondContact O-CG2 3.21Å; C358-V371 PolarHBondContact O-N 3.46Å; A360-V371 HydrophobicContact CB-CG1 3.74Å; V371-S373 PolarHBondContact O-N 3.12Å; V371-F629 HydrophobicContact CG1-CZ 4.24Å
372	A	95.6	Very high	93.2	Very high	27 Å²	27	55 Å²	55	22%	0.223	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-55.3	138.8	-178.5	0	0	0	0	0	111.9	Y408 N413 W415	A372-Y408 HydrophobicContact CB-CE2 4.27Å; A372-N413 WeakPolarHBondContact CB-O 3.44Å; A372-N413 PolarHBondContact N-OD1 3.35Å; A372-W415 PolarHBondContact O-NE1 2.77Å
373	S	96.2	Very high	93.6	Very high	69 Å²	69	55.4 Å²	55.4	48%	0.483	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-75.5	148	175.6	-57.5	0	0	0	0	110.9	G356 D357 V371 W415	G356-S373 CarbonylContact O-C 3.5Å; G356-S373 WeakPolarHBondContact O-CA 3.4Å; G356-S373 WeakPolarHBondContact O-CB 3.34Å; D357-S373 WeakPolarHBondContact CA-OG 3.14Å; V371-S373 PolarHBondContact O-N 3.12Å; S373-W415 VanDerWaalsContact C-CD1 3.42Å
374	M	96.6	Very high	94.3	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.054	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.6	154.3	169.3	-66.6	178.1	-66.4	0	0	110.8	V346 G356 T376 R378 A392 W415	V346-M374 HydrophobicContact CG1-CE 3.81Å; V346-M374 HydrophobicContact CG1-CG 4.37Å; V346-M374 HydrophobicContact CG1-SD 3.49Å; V346-M374 WeakPolarHBondContact CG1-SD 3.33Å; G356-M374 PolarHBondContact O-N 2.72Å; M374-T376 VanDerWaalsContact C-N 3.32Å; M374-T376 VanDerWaalsContact CB-O 3.25Å; M374-T376 WeakPolarHBondContact CB-O 3.19Å; M374-R378 HydrophobicContact CE-CB 4.02Å; M374-R378 HydrophobicContact CE-CG 4.29Å; M374-R378 HydrophobicContact SD-CG 4.38Å; M374-A392 HydrophobicContact SD-CB 3.73Å; M374-W415 HydrophobicContact CB-CD2 4.47Å; M374-W415 HydrophobicContact CG-CD2 3.71Å; M374-W415 HydrophobicContact CG-CE3 4Å; M374-W415 HydrophobicContact CG-CG 4.3Å; M374-W415 HydrophobicContact CG-CH2 3.96Å; M374-W415 HydrophobicContact CG-CZ2 3.66Å; M374-W415 HydrophobicContact CG-CZ3 4.12Å; M374-W415 HydrophobicContact SD-CH2 4.25Å; M374-W415 HydrophobicContact SD-CZ2 4.4Å; M374-W415 HydrophobicContact SD-CZ3 4.48Å
375	S	95.4	Very high	94.9	Very high	94 Å²	94	47.3 Å²	47.3	66%	0.657	25%	0.246	S	C	*	.	S	Bend	trans	-68.7	-37.9	175.4	-35.6	0	0	0	0	110.6	E406	S375-E406 WeakPolarHBondContact CA-OE2 3.26Å; S375-E406 WeakPolarHBondContact CB-OE2 3.29Å; S375-E406 PolarHBondContact N-OE2 3.48Å; S375-E406 PolarHBondContact OG-OE2 3.12Å
376	T	94.9	Very high	95.2	Very high	44 Å²	44	45.7 Å²	45.7	27%	0.27	24%	0.236	S	C	.	.	S	Bend	trans	-106.3	136.3	175.1	-47.8	0	0	0	0	110.1	M374 R378 D397 L402 E406	M374-T376 VanDerWaalsContact C-N 3.32Å; M374-T376 VanDerWaalsContact CB-O 3.25Å; M374-T376 WeakPolarHBondContact CB-O 3.19Å; T376-R378 HydrophobicContact CG2-CG 4.47Å; T376-D397 HydrophobicContact CG2-CB 4.28Å; T376-L402 HydrophobicContact CG2-CD1 3.81Å; T376-E406 WeakPolarHBondContact CB-OE1 3.49Å; T376-E406 PolarHBondContact N-OE1 3.32Å; T376-E406 PolarHBondContact OG1-OE1 2.92Å
377	R	96.1	Very high	94.9	Very high	159 Å²	159	44.9 Å²	44.9	60%	0.6	24%	0.243	S	C	*	.			trans	-72.8	134.4	172.1	-59.6	174	-179.1	-122.2	2.6	108.9	I354 D397	I354-R377 HydrophobicContact CB-CB 4.48Å; I354-R377 HydrophobicContact CG2-CB 3.95Å; I354-R377 PolarHBondContact O-NH1 2.79Å; R377-D397 VanDerWaalsContact O-CA 3.29Å; R377-D397 WeakPolarHBondContact O-CA 3.34Å; R377-D397 WeakPolarHBondContact O-CB 3.45Å
378	R	96.4	Very high	94.6	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	23%	0.229	C	C	.	.			trans	-142.4	118.3	-173.7	-56.4	173.7	-175.6	-92.7	-2.5	111.1	G347 G348 H355 M374 T376 V381 G394 L402 T404 E406	G347-R378 CarbonylContact C-O 3.44Å; G347-R378 WeakPolarHBondContact CA-O 3.38Å; G348-R378 PolarHBondContact N-O 2.74Å; H355-R378 PolarHBondContact O-N 3.01Å; M374-R378 HydrophobicContact CE-CB 4.02Å; M374-R378 HydrophobicContact CE-CG 4.29Å; M374-R378 HydrophobicContact SD-CG 4.38Å; T376-R378 HydrophobicContact CG2-CG 4.47Å; R378-V381 HydrophobicContact CB-CB 3.95Å; R378-V381 HydrophobicContact CB-CG1 4.42Å; R378-V381 HydrophobicContact CB-CG2 4.2Å; R378-G394 WeakPolarHBondContact CD-O 3.38Å; R378-G394 PolarHBondContact NH1-O 3.29Å; R378-L402 HydrophobicContact CG-CD1 3.92Å; R378-T404 PolarHBondContact NH1-O 2.96Å; R378-T404 PolarHBondContact NH1-OG1 3.47Å; R378-T404 VanDerWaalsContact NH1-OG1 3.08Å; R378-T404 PolarHBondContact NH2-OG1 3.13Å; R378-E406 IonicContact CZ-OE1 2.94Å; R378-E406 IonicContact NE-OE1 3.25Å; R378-E406 PolarHBondContact NE-OE1 3.37Å; R378-E406 IonicContact NH2-OE1 3.45Å; R378-E406 PolarHBondContact NH2-OE1 3.13Å
379	A	96.4	Very high	94.4	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.033	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-101.7	162.9	158.9	0	0	0	0	0	110.2	I354 V381 G395 Y396	I354-A379 HydrophobicContact CD1-CB 3.74Å; I354-A379 HydrophobicContact CG2-CB 4.07Å; A379-V381 PolarHBondContact O-N 2.69Å; A379-V381 VanDerWaalsContact O-N 3.1Å; A379-G395 CarbonylContact O-C 3.53Å; A379-G395 VanDerWaalsContact O-CA 3.3Å; A379-G395 WeakPolarHBondContact O-CA 3.43Å; A379-Y396 PolarHBondContact N-O 3.28Å; A379-Y396 PolarHBondContact O-N 2.78Å
380	R	96.8	Very high	94.6	Very high	84 Å²	84	39.6 Å²	39.6	32%	0.317	23%	0.226	S	C	.	.	S	Bend	trans	56.7	29.3	178.1	-53	157.8	171.8	-170.1	8.5	112	C427 S618	R380-C427 VanDerWaalsContact CD-SG 3.52Å; R380-C427 PolarHBondContact O-N 3.1Å; R380-S618 PolarHBondContact N-O 2.77Å
381	V	97.6	Very high	94.7	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.042	21%	0.211	C	C	.	.			trans	-80.2	143.5	-178.6	59.9	0	0	0	0	109.5	R378 A379 V383 A392	R378-V381 HydrophobicContact CB-CB 3.95Å; R378-V381 HydrophobicContact CB-CG1 4.42Å; R378-V381 HydrophobicContact CB-CG2 4.2Å; A379-V381 PolarHBondContact O-N 2.69Å; A379-V381 VanDerWaalsContact O-N 3.1Å; V381-V383 HydrophobicContact CG1-CG2 3.92Å; V381-V383 HydrophobicContact CG2-CG2 4.09Å; V381-A392 HydrophobicContact CG2-CB 4.02Å
382	G	97.8	Very high	94.9	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.9	168.3	0	0	0	0	0	109.4	V393	G382-V393 PolarHBondContact N-O 3.39Å; G382-V393 VanDerWaalsContact N-O 3.12Å; G382-V393 PolarHBondContact O-N 3.39Å
383	V	98.1	Very high	95	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.9	-176.6	-178.9	0	0	0	0	109.3	V346 V381 Y391 A622	V346-V383 HydrophobicContact CB-CG1 4.39Å; V346-V383 HydrophobicContact CB-CG2 4Å; V346-V383 HydrophobicContact CG1-CG2 4.07Å; V346-V383 HydrophobicContact CG2-CG1 4.24Å; V381-V383 HydrophobicContact CG1-CG2 3.92Å; V381-V383 HydrophobicContact CG2-CG2 4.09Å; V383-Y391 VanDerWaalsContact CA-O 3.3Å; V383-Y391 WeakPolarHBondContact CA-O 3.5Å; V383-A622 HydrophobicContact CG1-CB 3.81Å
384	A	97.4	Very high	95.1	Very high	10 Å²	10	31.2 Å²	31.2	8%	0.083	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.9	174.1	0	0	0	0	0	111.8	L390 Y391 V430 V432 L437	A384-L390 CarbonylContact O-C 3.4Å; A384-L390 WeakPolarHBondContact O-CA 3.37Å; A384-Y391 PolarHBondContact N-O 2.61Å; A384-Y391 PolarHBondContact O-N 3.29Å; A384-V430 HydrophobicContact CB-CG1 3.83Å; A384-V432 HydrophobicContact CB-CG2 3.72Å; A384-L437 HydrophobicContact CB-CD1 3.69Å
385	A	94.9	Very high	95.2	Very high	32 Å²	32	30.7 Å²	30.7	26%	0.264	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.5	179	0	0	0	0	0	111	R389 L390 A622 V623 L624	A385-R389 WeakPolarHBondContact CA-O 3.25Å; A385-L390 HydrophobicContact CB-CD2 4.05Å; A385-A622 HydrophobicContact CB-CB 4.29Å; A385-V623 VanDerWaalsContact CB-O 3.24Å; A385-V623 WeakPolarHBondContact CB-O 3.45Å; A385-L624 HydrophobicContact CB-CD2 3.68Å; A385-L624 HydrophobicContact CB-CG 4.32Å
386	I	90.9	Very high	95.3	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.082	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	133.2	175.3	-178	171.3	0	0	0	109.7	N388 R389 Y391 V432 G435 P457	I386-N388 PolarHBondContact O-N 3.4Å; I386-R389 PolarHBondContact N-O 2.79Å; I386-R389 PolarHBondContact O-N 2.91Å; I386-R389 VanDerWaalsContact O-N 3.13Å; I386-Y391 HydrophobicContact CG2-CD2 3.29Å; I386-Y391 HydrophobicContact CG2-CE2 3.17Å; I386-Y391 HydrophobicContact CG2-CG 4.23Å; I386-V432 HydrophobicContact CB-CG1 4.15Å; I386-V432 HydrophobicContact CB-CG2 4.08Å; I386-V432 HydrophobicContact CD1-CG1 4.09Å; I386-V432 HydrophobicContact CG1-CG1 4.21Å; I386-G435 VanDerWaalsContact CD1-O 3.25Å; I386-G435 WeakPolarHBondContact CD1-O 3.37Å; I386-P457 HydrophobicContact CD1-CG 3.73Å; I386-P457 HydrophobicContact CG1-CG 4.4Å
387	G	81.9	Confident	95.3	Very high	50 Å²	50	29.2 Å²	29.2	52%	0.515	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	45	176.4	0	0	0	0	0	114.4	R389	G387-R389 PolarHBondContact O-N 2.91Å
388	N	84.6	Confident	95.2	Very high	68 Å²	68	23.2 Å²	23.2	36%	0.364	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	20.5	-176.8	-66.2	-5.2	0	0	0	115.4	I386 P410	I386-N388 PolarHBondContact O-N 3.4Å; N388-P410 WeakPolarHBondContact O-CD 3.24Å; N388-P410 WeakPolarHBondContact O-CG 3.28Å
389	R	91.9	Very high	95	Very high	52 Å²	52	28.9 Å²	28.9	20%	0.196	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.2	175.4	-66.3	175	-179.2	-81	-15.3	110.5	A385 I386 G387 Y391 Y408 D409	A385-R389 WeakPolarHBondContact CA-O 3.25Å; I386-R389 PolarHBondContact N-O 2.79Å; I386-R389 PolarHBondContact O-N 2.91Å; I386-R389 VanDerWaalsContact O-N 3.13Å; G387-R389 PolarHBondContact O-N 2.91Å; R389-Y391 HydrophobicContact CB-CD2 4.46Å; R389-Y391 HydrophobicContact CB-CE2 3.86Å; R389-Y408 WeakPolarHBondContact CA-O 3.41Å; R389-Y408 WeakPolarHBondContact CB-O 3.36Å; R389-D409 IonicContact CZ-OD2 3.03Å; R389-D409 VanDerWaalsContact NH1-CB 3.35Å; R389-D409 IonicContact NH1-OD2 3.19Å; R389-D409 PolarHBondContact NH1-OD2 3.01Å; R389-D409 IonicContact NH2-OD2 2.8Å; R389-D409 PolarHBondContact NH2-OD2 3.35Å
390	L	96.8	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	148.4	166.8	-51.4	173.6	0	0	0	109.4	F344 V346 A384 A385 S407 Y408 A622 L624	F344-L390 HydrophobicContact CB-CD1 3.5Å; F344-L390 VanDerWaalsContact CB-CD1 3.5Å; F344-L390 HydrophobicContact CD1-CD1 3.67Å; F344-L390 HydrophobicContact CD2-CD1 3.94Å; F344-L390 HydrophobicContact CD2-CD2 4.43Å; F344-L390 HydrophobicContact CE1-CD1 4.36Å; F344-L390 HydrophobicContact CG-CD1 3.43Å; F344-L390 VanDerWaalsContact CG-CD1 3.43Å; V346-L390 HydrophobicContact CG2-CD1 4.34Å; A384-L390 CarbonylContact O-C 3.4Å; A384-L390 WeakPolarHBondContact O-CA 3.37Å; A385-L390 HydrophobicContact CB-CD2 4.05Å; L390-S407 CarbonylContact O-C 3.52Å; L390-S407 WeakPolarHBondContact O-CA 3.42Å; L390-Y408 HydrophobicContact CD1-CD1 3.8Å; L390-Y408 HydrophobicContact CD1-CG 4.45Å; L390-Y408 HydrophobicContact CG-CD1 4.16Å; L390-Y408 PolarHBondContact N-O 2.85Å; L390-Y408 PolarHBondContact O-N 3.49Å; L390-A622 HydrophobicContact CD2-CB 3.78Å; L390-L624 HydrophobicContact CD1-CD1 4.35Å; L390-L624 HydrophobicContact CD2-CD1 3.56Å; L390-L624 HydrophobicContact CD2-CD2 4.12Å; L390-L624 HydrophobicContact CD2-CG 3.53Å; L390-L624 HydrophobicContact CG-CD1 3.63Å; L390-L624 HydrophobicContact CG-CG 4.19Å
391	Y	98.2	Very high	95.1	Very high	8 Å²	8	28.1 Å²	28.1	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.2	172.8	-73.8	-104.3	0	0	0	108.8	V383 A384 I386 R389 V405 E406 E418 L437 Y455	V383-Y391 VanDerWaalsContact CA-O 3.3Å; V383-Y391 WeakPolarHBondContact CA-O 3.5Å; A384-Y391 PolarHBondContact N-O 2.61Å; A384-Y391 PolarHBondContact O-N 3.29Å; I386-Y391 HydrophobicContact CG2-CD2 3.29Å; I386-Y391 HydrophobicContact CG2-CE2 3.17Å; I386-Y391 HydrophobicContact CG2-CG 4.23Å; R389-Y391 HydrophobicContact CB-CD2 4.46Å; R389-Y391 HydrophobicContact CB-CE2 3.86Å; Y391-V405 HydrophobicContact CD1-CG1 4.2Å; Y391-E406 CarbonylContact C-O 3.42Å; Y391-E406 WeakPolarHBondContact CA-O 3.4Å; Y391-E418 HydrophobicContact CD1-CG 4.32Å; Y391-E418 HydrophobicContact CE1-CG 3.94Å; Y391-L437 HydrophobicContact CD1-CD2 4.27Å; Y391-L437 HydrophobicContact CG-CD2 4.19Å; Y391-Y455 HydrophobicContact CD1-CE1 4.41Å; Y391-Y455 AromaticContact CE1-CE1 3.82Å; Y391-Y455 HydrophobicContact CE1-CE1 3.82Å
392	A	98.3	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110	172.1	0	0	0	0	0	108.8	V346 M374 V381 V405 E406 W415	V346-A392 HydrophobicContact CG1-CB 4.32Å; M374-A392 HydrophobicContact SD-CB 3.73Å; V381-A392 HydrophobicContact CG2-CB 4.02Å; A392-V405 VanDerWaalsContact O-CA 3.32Å; A392-V405 WeakPolarHBondContact O-CA 3.45Å; A392-E406 PolarHBondContact N-O 3.47Å; A392-E406 PolarHBondContact O-N 3Å; A392-W415 HydrophobicContact CB-CH2 3.96Å; A392-W415 HydrophobicContact CB-CZ3 3.64Å
393	V	98.4	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.3	-168.4	-173.7	0	0	0	0	110.4	G382 V405 M421 L428 V430 L437 A439 W462	G382-V393 PolarHBondContact N-O 3.39Å; G382-V393 VanDerWaalsContact N-O 3.12Å; G382-V393 PolarHBondContact O-N 3.39Å; V393-V405 HydrophobicContact CB-CG2 4.48Å; V393-V405 HydrophobicContact CG1-CG2 4.03Å; V393-V405 HydrophobicContact CG2-CG1 4.09Å; V393-M421 HydrophobicContact CG1-CE 3.69Å; V393-M421 HydrophobicContact CG1-CG 4.23Å; V393-M421 HydrophobicContact CG1-SD 3.39Å; V393-M421 WeakPolarHBondContact CG1-SD 3.21Å; V393-L428 HydrophobicContact CB-CD1 4.49Å; V393-L428 HydrophobicContact CG1-CD1 3.99Å; V393-V430 HydrophobicContact CB-CG2 4.09Å; V393-V430 HydrophobicContact CG1-CG2 4.38Å; V393-V430 HydrophobicContact CG2-CG1 4.28Å; V393-V430 HydrophobicContact CG2-CG2 4.39Å; V393-L437 HydrophobicContact CG2-CD2 3.69Å; V393-A439 HydrophobicContact CG1-CB 4.43Å; V393-W462 HydrophobicContact CG1-CH2 4.06Å; V393-W462 HydrophobicContact CG1-CZ2 4.35Å
394	G	98.1	Very high	95.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.199	C	C	.	.			trans	62	-136	175.6	0	0	0	0	0	113	R378 L402 T404 R425	R378-G394 WeakPolarHBondContact CD-O 3.38Å; R378-G394 PolarHBondContact NH1-O 3.29Å; G394-L402 VanDerWaalsContact CA-O 3.3Å; G394-L402 WeakPolarHBondContact CA-O 3.49Å; G394-T404 PolarHBondContact N-O 3.06Å; G394-R425 WeakPolarHBondContact CA-O 3.29Å
395	G	97.8	Very high	95.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.195	C	C	.	.			trans	99.2	-161.9	-176.9	0	0	0	0	0	113	A379 D401 L402 R425	A379-G395 CarbonylContact O-C 3.53Å; A379-G395 VanDerWaalsContact O-CA 3.3Å; A379-G395 WeakPolarHBondContact O-CA 3.43Å; G395-D401 WeakPolarHBondContact O-CA 3.32Å; G395-L402 PolarHBondContact O-N 2.96Å; G395-R425 PolarHBondContact N-O 3.06Å
396	Y	97.4	Very high	95.3	Very high	63 Å²	63	29.8 Å²	29.8	25%	0.247	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-136	128	-176.8	176.2	-109.5	0	0	0	109.6	I354 A379 G398 S400	I354-Y396 HydrophobicContact CD1-CD1 4.47Å; A379-Y396 PolarHBondContact N-O 3.28Å; A379-Y396 PolarHBondContact O-N 2.78Å; Y396-G398 PolarHBondContact OH-O 2.72Å; Y396-S400 WeakPolarHBondContact CA-O 3.5Å; Y396-S400 VanDerWaalsContact CD2-O 3.29Å; Y396-S400 WeakPolarHBondContact CD2-O 3.24Å
397	D	96	Very high	95.6	Very high	43 Å²	43	29.1 Å²	29.1	23%	0.23	18%	0.18	C	C	.	.			trans	-90.8	-1.8	-175.3	62.7	11.8	0	0	0	114.6	T376 R377 T399 S400 L402	T376-D397 HydrophobicContact CG2-CB 4.28Å; R377-D397 VanDerWaalsContact O-CA 3.29Å; R377-D397 WeakPolarHBondContact O-CA 3.34Å; R377-D397 WeakPolarHBondContact O-CB 3.45Å; D397-T399 WeakPolarHBondContact OD1-CA 3.45Å; D397-T399 PolarHBondContact OD1-N 3.2Å; D397-T399 PolarHBondContact OD1-OG1 3.48Å; D397-T399 PolarHBondContact OD2-OG1 3.12Å; D397-S400 PolarHBondContact N-O 2.96Å; D397-S400 PolarHBondContact OD1-N 3.09Å; D397-S400 PolarHBondContact OD2-OG 3.25Å; D397-L402 HydrophobicContact CB-CD1 4.17Å; D397-L402 HydrophobicContact CB-CD2 4.33Å
398	G	93.1	Very high	96.3	Very high	33 Å²	33	26.8 Å²	26.8	34%	0.34	16%	0.156	S	C	.	.	S	Bend	trans	104.8	-11.9	-170.6	0	0	0	0	0	113.6	Y396	Y396-G398 PolarHBondContact OH-O 2.72Å
399	T	93.5	Very high	96.6	Very high	120 Å²	120	24.4 Å²	24.4	74%	0.736	14%	0.143	S	C	*	.	S	Bend	trans	-128.8	-45	179.5	63.6	0	0	0	0	112.4	D397	D397-T399 WeakPolarHBondContact OD1-CA 3.45Å; D397-T399 PolarHBondContact OD1-N 3.2Å; D397-T399 PolarHBondContact OD1-OG1 3.48Å; D397-T399 PolarHBondContact OD2-OG1 3.12Å
400	S	96.1	Very high	96.4	Very high	52 Å²	52	22.4 Å²	22.4	36%	0.364	14%	0.137	S	C	.	.			trans	-137.6	147.1	-171	71	0	0	0	0	112.4	Y396 D397	Y396-S400 WeakPolarHBondContact CA-O 3.5Å; Y396-S400 VanDerWaalsContact CD2-O 3.29Å; Y396-S400 WeakPolarHBondContact CD2-O 3.24Å; D397-S400 PolarHBondContact N-O 2.96Å; D397-S400 PolarHBondContact OD1-N 3.09Å; D397-S400 PolarHBondContact OD2-OG 3.25Å
401	D	97.6	Very high	95.8	Very high	21 Å²	21	27.4 Å²	27.4	11%	0.112	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-73	133.7	166.5	-60.5	-92	0	0	0	109.2	G395 R424 S426 G445	G395-D401 WeakPolarHBondContact O-CA 3.32Å; D401-R424 HydrophobicContact CB-CG 4.41Å; D401-R424 WeakPolarHBondContact O-CB 3.48Å; D401-R424 WeakPolarHBondContact O-CD 3.32Å; D401-S426 WeakPolarHBondContact OD1-CB 3.39Å; D401-S426 PolarHBondContact OD1-OG 2.83Å; D401-G445 WeakPolarHBondContact OD2-CA 3.3Å; D401-G445 PolarHBondContact OD2-N 2.87Å
402	L	97.9	Very high	95.3	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.079	19%	0.186	C	C	.	.			trans	-101.5	142.6	-167.7	-57.3	174.1	0	0	0	112	T376 R378 G394 G395 D397 R424 R425	T376-L402 HydrophobicContact CG2-CD1 3.81Å; R378-L402 HydrophobicContact CG-CD1 3.92Å; G394-L402 VanDerWaalsContact CA-O 3.3Å; G394-L402 WeakPolarHBondContact CA-O 3.49Å; G395-L402 PolarHBondContact O-N 2.96Å; D397-L402 HydrophobicContact CB-CD1 4.17Å; D397-L402 HydrophobicContact CB-CD2 4.33Å; L402-R424 WeakPolarHBondContact O-CA 3.43Å; L402-R425 PolarHBondContact O-N 3.03Å
403	A	97.9	Very high	94.9	Very high	25 Å²	25	33 Å²	33	21%	0.207	20%	0.197	C	C	.	.			trans	-97	-13.8	163.9	0	0	0	0	0	112.5	S420 M421 R424	A403-S420 WeakPolarHBondContact O-CA 3.09Å; A403-S420 WeakPolarHBondContact O-CB 3.49Å; A403-M421 PolarHBondContact O-N 3.26Å; A403-R424 HydrophobicContact CB-CB 3.99Å
404	T	98.3	Very high	94.7	Very high	52 Å²	52	34.7 Å²	34.7	32%	0.319	21%	0.208	S	C	.	.			trans	-69.8	149.2	-173	57.1	0	0	0	0	111.6	R378 G394 S420	R378-T404 PolarHBondContact NH1-O 2.96Å; R378-T404 PolarHBondContact NH1-OG1 3.47Å; R378-T404 VanDerWaalsContact NH1-OG1 3.08Å; R378-T404 PolarHBondContact NH2-OG1 3.13Å; G394-T404 PolarHBondContact N-O 3.06Å; T404-S420 WeakPolarHBondContact CA-OG 3.41Å
405	V	98.3	Very high	94.7	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.7	179.2	-175.6	0	0	0	0	108.3	Y391 A392 V393 E418 M421 W462	Y391-V405 HydrophobicContact CD1-CG1 4.2Å; A392-V405 VanDerWaalsContact O-CA 3.32Å; A392-V405 WeakPolarHBondContact O-CA 3.45Å; V393-V405 HydrophobicContact CB-CG2 4.48Å; V393-V405 HydrophobicContact CG1-CG2 4.03Å; V393-V405 HydrophobicContact CG2-CG1 4.09Å; V405-E418 HydrophobicContact CB-CB 4.08Å; V405-E418 HydrophobicContact CG1-CB 4.03Å; V405-E418 PolarHBondContact O-N 3.28Å; V405-M421 HydrophobicContact CG2-CG 4.27Å; V405-W462 HydrophobicContact CG2-CZ2 3.96Å
406	E	98	Very high	94.6	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.023	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.6	173.9	-65.4	175.7	-109.5	0	0	109	S375 T376 R378 Y391 A392 W415 Q416	S375-E406 WeakPolarHBondContact CA-OE2 3.26Å; S375-E406 WeakPolarHBondContact CB-OE2 3.29Å; S375-E406 PolarHBondContact N-OE2 3.48Å; S375-E406 PolarHBondContact OG-OE2 3.12Å; T376-E406 WeakPolarHBondContact CB-OE1 3.49Å; T376-E406 PolarHBondContact N-OE1 3.32Å; T376-E406 PolarHBondContact OG1-OE1 2.92Å; R378-E406 IonicContact CZ-OE1 2.94Å; R378-E406 IonicContact NE-OE1 3.25Å; R378-E406 PolarHBondContact NE-OE1 3.37Å; R378-E406 IonicContact NH2-OE1 3.45Å; R378-E406 PolarHBondContact NH2-OE1 3.13Å; Y391-E406 CarbonylContact C-O 3.42Å; Y391-E406 WeakPolarHBondContact CA-O 3.4Å; A392-E406 PolarHBondContact N-O 3.47Å; A392-E406 PolarHBondContact O-N 3Å; E406-W415 HydrophobicContact CB-CE3 3.78Å; E406-W415 HydrophobicContact CB-CZ3 4.32Å; E406-Q416 CarbonylContact C-O 3.55Å; E406-Q416 VanDerWaalsContact CA-O 3.25Å; E406-Q416 WeakPolarHBondContact CA-O 3.39Å
407	S	97.3	Very high	94.6	Very high	1 Å²	1	42 Å²	42	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.3	172.7	68.6	0	0	0	0	111.4	L390 W415 Q416 E418	L390-S407 CarbonylContact O-C 3.52Å; L390-S407 WeakPolarHBondContact O-CA 3.42Å; S407-W415 CarbonylContact O-C 3.54Å; S407-W415 VanDerWaalsContact O-CA 3.28Å; S407-W415 WeakPolarHBondContact O-CA 3.36Å; S407-Q416 PolarHBondContact N-O 3.18Å; S407-Q416 PolarHBondContact O-N 2.8Å; S407-E418 WeakPolarHBondContact CB-OE1 3.42Å; S407-E418 PolarHBondContact OG-OE1 2.84Å
408	Y	96.6	Very high	94.6	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.7	177.2	176.7	-107.7	0	0	0	110.6	F344 A372 R389 L390 P410 N413 W415	F344-Y408 HydrophobicContact CD1-CE1 4.28Å; F344-Y408 HydrophobicContact CE1-CD1 4.38Å; F344-Y408 AromaticContact CE1-CE1 3.63Å; F344-Y408 HydrophobicContact CE1-CE1 3.63Å; F344-Y408 HydrophobicContact CZ-CE1 4.24Å; A372-Y408 HydrophobicContact CB-CE2 4.27Å; R389-Y408 WeakPolarHBondContact CA-O 3.41Å; R389-Y408 WeakPolarHBondContact CB-O 3.36Å; L390-Y408 HydrophobicContact CD1-CD1 3.8Å; L390-Y408 HydrophobicContact CD1-CG 4.45Å; L390-Y408 HydrophobicContact CG-CD1 4.16Å; L390-Y408 PolarHBondContact N-O 2.85Å; L390-Y408 PolarHBondContact O-N 3.49Å; Y408-P410 HydrophobicContact CE1-CB 3.98Å; Y408-N413 WeakPolarHBondContact CE2-OD1 3.25Å; Y408-N413 PolarHBondContact OH-OD1 3.26Å; Y408-W415 AromaticContact CD2-CD1 3.78Å; Y408-W415 HydrophobicContact CD2-CD2 4.05Å; Y408-W415 AromaticContact CD2-CE2 3.7Å; Y408-W415 HydrophobicContact CD2-CG 4.11Å; Y408-W415 HydrophobicContact CD2-CZ2 4.24Å; Y408-W415 AromaticContact CD2-NE1 3.51Å; Y408-W415 HydrophobicContact CG-CD2 4.32Å; Y408-W415 AromaticContact CG-CE2 3.98Å; Y408-W415 HydrophobicContact CG-CZ2 4.11Å
409	D	91.3	Very high	94.8	Very high	18 Å²	18	43.3 Å²	43.3	10%	0.096	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113	171.5	-165.3	-34.3	0	0	0	110.2	R389 I411 T412 N413 S414	R389-D409 IonicContact CZ-OD2 3.03Å; R389-D409 VanDerWaalsContact NH1-CB 3.35Å; R389-D409 IonicContact NH1-OD2 3.19Å; R389-D409 PolarHBondContact NH1-OD2 3.01Å; R389-D409 IonicContact NH2-OD2 2.8Å; R389-D409 PolarHBondContact NH2-OD2 3.35Å; D409-I411 PolarHBondContact O-N 2.98Å; D409-I411 WeakPolarHBondContact OD1-CB 3.32Å; D409-I411 PolarHBondContact OD1-N 2.94Å; D409-T412 VanDerWaalsContact CB-OG1 3.29Å; D409-T412 WeakPolarHBondContact CB-OG1 3.35Å; D409-T412 PolarHBondContact OD1-N 3.33Å; D409-N413 VanDerWaalsContact O-CA 3.26Å; D409-N413 WeakPolarHBondContact O-CA 3.49Å; D409-N413 PolarHBondContact O-N 3.42Å; D409-S414 PolarHBondContact N-O 3.28Å; D409-S414 PolarHBondContact O-N 2.9Å
410	P	88.5	Confident	95	Very high	10 Å²	10	40.2 Å²	40.2	7%	0.065	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.8	179	30.2	-37	0	0	0	113.3	N388 Y408 L624 L626	N388-P410 WeakPolarHBondContact O-CD 3.24Å; N388-P410 WeakPolarHBondContact O-CG 3.28Å; Y408-P410 HydrophobicContact CE1-CB 3.98Å; P410-L624 HydrophobicContact CB-CD1 4.34Å; P410-L624 HydrophobicContact CG-CD1 4.05Å; P410-L626 HydrophobicContact CB-CD1 3.79Å; P410-L626 HydrophobicContact CB-CD2 3.71Å; P410-L626 HydrophobicContact CB-CG 4.45Å; P410-L626 HydrophobicContact CG-CD2 3.6Å
411	I	83.4	Confident	95.1	Very high	106 Å²	106	38.2 Å²	38.2	54%	0.544	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-47	-179	-62.6	167.6	0	0	0	109.9	P249 D409 N413	P249-I411 HydrophobicContact CB-CD1 3.73Å; D409-I411 PolarHBondContact O-N 2.98Å; D409-I411 WeakPolarHBondContact OD1-CB 3.32Å; D409-I411 PolarHBondContact OD1-N 2.94Å; I411-N413 VanDerWaalsContact C-N 3.33Å
412	T	86.8	Confident	95.1	Very high	85 Å²	85	40.5 Å²	40.5	52%	0.521	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.5	177.9	60.4	0	0	0	0	113.1	D409 S414	D409-T412 VanDerWaalsContact CB-OG1 3.29Å; D409-T412 WeakPolarHBondContact CB-OG1 3.35Å; D409-T412 PolarHBondContact OD1-N 3.33Å; T412-S414 VanDerWaalsContact C-N 3.32Å; T412-S414 PolarHBondContact O-N 3.45Å; T412-S414 PolarHBondContact OG1-OG 3.02Å
413	N	91.8	Very high	95	Very high	41 Å²	41	42 Å²	42	22%	0.219	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	54.4	-173.6	-174.8	29.3	0	0	0	111.4	A372 Y408 D409 I411	A372-N413 WeakPolarHBondContact CB-O 3.44Å; A372-N413 PolarHBondContact N-OD1 3.35Å; Y408-N413 WeakPolarHBondContact CE2-OD1 3.25Å; Y408-N413 PolarHBondContact OH-OD1 3.26Å; D409-N413 VanDerWaalsContact O-CA 3.26Å; D409-N413 WeakPolarHBondContact O-CA 3.49Å; D409-N413 PolarHBondContact O-N 3.42Å; I411-N413 VanDerWaalsContact C-N 3.33Å
414	S	94	Very high	95	Very high	34 Å²	34	46.6 Å²	46.6	24%	0.238	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	149.9	-177.3	63.5	0	0	0	0	112.6	D409 T412	D409-S414 PolarHBondContact N-O 3.28Å; D409-S414 PolarHBondContact O-N 2.9Å; T412-S414 VanDerWaalsContact C-N 3.32Å; T412-S414 PolarHBondContact O-N 3.45Å; T412-S414 PolarHBondContact OG1-OG 3.02Å
415	W	97.1	Very high	95	Very high	17 Å²	17	44.2 Å²	44.2	6%	0.064	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.6	173	-69.4	88.5	0	0	0	110.5	V346 A372 S373 M374 A392 E406 S407 Y408	V346-W415 HydrophobicContact CG1-CH2 3.75Å; V346-W415 HydrophobicContact CG1-CZ2 3.96Å; V346-W415 HydrophobicContact CG2-CH2 4.2Å; V346-W415 HydrophobicContact CG2-CZ2 4.18Å; A372-W415 PolarHBondContact O-NE1 2.77Å; S373-W415 VanDerWaalsContact C-CD1 3.42Å; M374-W415 HydrophobicContact CB-CD2 4.47Å; M374-W415 HydrophobicContact CG-CD2 3.71Å; M374-W415 HydrophobicContact CG-CE3 4Å; M374-W415 HydrophobicContact CG-CG 4.3Å; M374-W415 HydrophobicContact CG-CH2 3.96Å; M374-W415 HydrophobicContact CG-CZ2 3.66Å; M374-W415 HydrophobicContact CG-CZ3 4.12Å; M374-W415 HydrophobicContact SD-CH2 4.25Å; M374-W415 HydrophobicContact SD-CZ2 4.4Å; M374-W415 HydrophobicContact SD-CZ3 4.48Å; A392-W415 HydrophobicContact CB-CH2 3.96Å; A392-W415 HydrophobicContact CB-CZ3 3.64Å; E406-W415 HydrophobicContact CB-CE3 3.78Å; E406-W415 HydrophobicContact CB-CZ3 4.32Å; S407-W415 CarbonylContact O-C 3.54Å; S407-W415 VanDerWaalsContact O-CA 3.28Å; S407-W415 WeakPolarHBondContact O-CA 3.36Å; Y408-W415 AromaticContact CD2-CD1 3.78Å; Y408-W415 HydrophobicContact CD2-CD2 4.05Å; Y408-W415 AromaticContact CD2-CE2 3.7Å; Y408-W415 HydrophobicContact CD2-CG 4.11Å; Y408-W415 HydrophobicContact CD2-CZ2 4.24Å; Y408-W415 AromaticContact CD2-NE1 3.51Å; Y408-W415 HydrophobicContact CG-CD2 4.32Å; Y408-W415 AromaticContact CG-CE2 3.98Å; Y408-W415 HydrophobicContact CG-CZ2 4.11Å
416	Q	96.1	Very high	95	Very high	101 Å²	101	44 Å²	44	47%	0.472	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.9	175.3	-63.7	-60.9	-37.1	0	0	110.2	E406 S407	E406-Q416 CarbonylContact C-O 3.55Å; E406-Q416 VanDerWaalsContact CA-O 3.25Å; E406-Q416 WeakPolarHBondContact CA-O 3.39Å; S407-Q416 PolarHBondContact N-O 3.18Å; S407-Q416 PolarHBondContact O-N 2.8Å
417	P	97.3	Very high	94.9	Very high	100 Å²	100	43.9 Å²	43.9	65%	0.649	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	141.5	174.9	29.4	-34	0	0	0	110.9
418	E	96.6	Very high	94.9	Very high	37 Å²	37	44 Å²	44	17%	0.173	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	171.2	175	-69.2	-69	177.7	0	0	110.8	Y391 V405 S407 S420 Y455	Y391-E418 HydrophobicContact CD1-CG 4.32Å; Y391-E418 HydrophobicContact CE1-CG 3.94Å; V405-E418 HydrophobicContact CB-CB 4.08Å; V405-E418 HydrophobicContact CG1-CB 4.03Å; V405-E418 PolarHBondContact O-N 3.28Å; S407-E418 WeakPolarHBondContact CB-OE1 3.42Å; S407-E418 PolarHBondContact OG-OE1 2.84Å; E418-S420 PolarHBondContact O-N 3.25Å; E418-Y455 PolarHBondContact OE2-OH 3.37Å
419	V	97.1	Very high	95	Very high	66 Å²	66	44 Å²	44	40%	0.4	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-58.8	126.4	175.9	-175.8	0	0	0	0	109.6	Y455 S460 W462	V419-Y455 HydrophobicContact CB-CE2 4.27Å; V419-S460 WeakPolarHBondContact CG2-O 3.29Å; V419-W462 PolarHBondContact O-NE1 2.92Å
420	S	97.9	Very high	95.3	Very high	55 Å²	55	44 Å²	44	39%	0.385	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-71.7	151.7	-179.7	-61.6	0	0	0	0	111.6	A403 T404 E418	A403-S420 WeakPolarHBondContact O-CA 3.09Å; A403-S420 WeakPolarHBondContact O-CB 3.49Å; T404-S420 WeakPolarHBondContact CA-OG 3.41Å; E418-S420 PolarHBondContact O-N 3.25Å
421	M	98	Very high	95.7	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.049	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-63.1	158.5	171.5	-66.1	179.2	-67.8	0	0	111.1	V393 A403 V405 T423 R425 L428 A439 W462	V393-M421 HydrophobicContact CG1-CE 3.69Å; V393-M421 HydrophobicContact CG1-CG 4.23Å; V393-M421 HydrophobicContact CG1-SD 3.39Å; V393-M421 WeakPolarHBondContact CG1-SD 3.21Å; A403-M421 PolarHBondContact O-N 3.26Å; V405-M421 HydrophobicContact CG2-CG 4.27Å; M421-T423 VanDerWaalsContact C-N 3.32Å; M421-T423 WeakPolarHBondContact CB-O 3.39Å; M421-R425 HydrophobicContact CE-CB 4.05Å; M421-R425 HydrophobicContact CE-CG 4.37Å; M421-L428 HydrophobicContact CE-CD1 4.45Å; M421-L428 HydrophobicContact SD-CD1 4.4Å; M421-A439 HydrophobicContact SD-CB 3.93Å; M421-W462 HydrophobicContact CB-CD2 4.47Å; M421-W462 HydrophobicContact CG-CD2 3.89Å; M421-W462 HydrophobicContact CG-CE3 4.02Å; M421-W462 HydrophobicContact CG-CH2 3.71Å; M421-W462 HydrophobicContact CG-CZ2 3.56Å; M421-W462 HydrophobicContact CG-CZ3 3.93Å; M421-W462 HydrophobicContact SD-CH2 4.13Å; M421-W462 HydrophobicContact SD-CZ2 4.47Å; M421-W462 HydrophobicContact SD-CZ3 4.37Å
422	G	96.9	Very high	96.4	Very high	69 Å²	69	40.6 Å²	40.6	71%	0.711	24%	0.241	S	C	*	.	S	Bend	trans	-69.4	-33.3	172.5	0	0	0	0	0	112.3	E453	G422-E453 WeakPolarHBondContact CA-OE2 3.11Å; G422-E453 PolarHBondContact N-OE2 3.19Å
423	T	96.4	Very high	96.7	Very high	46 Å²	46	37 Å²	37	28%	0.282	22%	0.219	S	C	.	.	S	Bend	trans	-114.8	137.3	177.4	-46	0	0	0	0	110.9	M421 D444 L449 E453	M421-T423 VanDerWaalsContact C-N 3.32Å; M421-T423 WeakPolarHBondContact CB-O 3.39Å; T423-D444 HydrophobicContact CG2-CB 4.33Å; T423-L449 HydrophobicContact CG2-CD1 4.06Å; T423-E453 WeakPolarHBondContact CB-OE1 3.13Å; T423-E453 PolarHBondContact N-OE1 2.9Å; T423-E453 PolarHBondContact OG1-OE1 3.29Å
424	R	97.5	Very high	96.7	Very high	122 Å²	122	37.7 Å²	37.7	46%	0.46	22%	0.221	S	C	.	.			trans	-70.6	135.8	170.2	64.2	-173.8	176.9	-82.9	-16.4	111	D401 L402 A403 D444	D401-R424 HydrophobicContact CB-CG 4.41Å; D401-R424 WeakPolarHBondContact O-CB 3.48Å; D401-R424 WeakPolarHBondContact O-CD 3.32Å; L402-R424 WeakPolarHBondContact O-CA 3.43Å; A403-R424 HydrophobicContact CB-CB 3.99Å; R424-D444 HydrophobicContact CG-CB 4.03Å; R424-D444 PolarHBondContact NE-O 2.89Å; R424-D444 PolarHBondContact NH2-O 3.25Å; R424-D444 WeakPolarHBondContact O-CA 3.49Å; R424-D444 WeakPolarHBondContact O-CB 3.4Å
425	R	97.9	Very high	96.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	22%	0.224	C	C	.	.			trans	-145.4	119.8	-171.8	-62.1	175.1	-173.8	-88.4	-1.1	110.8	G394 G395 L402 M421 L428 G441 Y443 L449 S451 E453	G394-R425 WeakPolarHBondContact CA-O 3.29Å; G395-R425 PolarHBondContact N-O 3.06Å; L402-R425 PolarHBondContact O-N 3.03Å; M421-R425 HydrophobicContact CE-CB 4.05Å; M421-R425 HydrophobicContact CE-CG 4.37Å; R425-L428 HydrophobicContact CB-CB 4.19Å; R425-L428 HydrophobicContact CB-CD1 3.94Å; R425-L428 HydrophobicContact CB-CG 4.49Å; R425-G441 PolarHBondContact NH1-O 2.83Å; R425-Y443 CarbonylContact C-O 3.45Å; R425-Y443 WeakPolarHBondContact CA-O 3.31Å; R425-L449 HydrophobicContact CG-CD1 3.8Å; R425-S451 PolarHBondContact NH1-O 3.12Å; R425-S451 PolarHBondContact NH1-OG 2.83Å; R425-S451 PolarHBondContact NH2-OG 3.39Å; R425-E453 IonicContact CZ-OE1 3.21Å; R425-E453 IonicContact NE-OE1 3.01Å; R425-E453 PolarHBondContact NE-OE1 3.06Å; R425-E453 IonicContact NH2-OE1 2.7Å; R425-E453 PolarHBondContact NH2-OE1 3.49Å
426	S	97.8	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-108.3	164.7	157.9	77.8	0	0	0	0	111	D401 L428 G442 Y443	D401-S426 WeakPolarHBondContact OD1-CB 3.39Å; D401-S426 PolarHBondContact OD1-OG 2.83Å; S426-L428 PolarHBondContact O-N 2.9Å; S426-G442 CarbonylContact O-C 3.57Å; S426-G442 WeakPolarHBondContact O-CA 3.37Å; S426-Y443 PolarHBondContact N-O 2.84Å; S426-Y443 PolarHBondContact O-N 2.95Å
427	C	97.1	Very high	96.5	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	20%	0.198	C	C	.	.	S	Bend	trans	57.2	25.3	178.2	-43.1	0	0	0	0	113.5	R380 R473 Y474	R380-C427 VanDerWaalsContact CD-SG 3.52Å; R380-C427 PolarHBondContact O-N 3.1Å; C427-R473 HydrophobicContact CB-CG 3.53Å; C427-Y474 HydrophobicContact CB-CD1 3.54Å; C427-Y474 HydrophobicContact CB-CE1 3.82Å; C427-Y474 HydrophobicContact CB-CG 3.97Å; C427-Y474 VanDerWaalsContact O-CA 3.29Å; C427-Y474 WeakPolarHBondContact O-CA 3.29Å; C427-Y474 PolarHBondContact O-N 3.07Å; C427-Y474 WeakPolarHBondContact SG-CE1 3.41Å
428	L	97.8	Very high	96.5	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	17%	0.168	C	C	.	.			trans	-78.4	162.6	178.8	70.2	173.2	0	0	0	111.1	V393 M421 R425 S426 V430 A439	V393-L428 HydrophobicContact CB-CD1 4.49Å; V393-L428 HydrophobicContact CG1-CD1 3.99Å; M421-L428 HydrophobicContact CE-CD1 4.45Å; M421-L428 HydrophobicContact SD-CD1 4.4Å; R425-L428 HydrophobicContact CB-CB 4.19Å; R425-L428 HydrophobicContact CB-CD1 3.94Å; R425-L428 HydrophobicContact CB-CG 4.49Å; S426-L428 PolarHBondContact O-N 2.9Å; L428-V430 HydrophobicContact CD1-CG2 3.71Å; L428-V430 HydrophobicContact CG-CG2 3.89Å; L428-A439 HydrophobicContact CD1-CB 4.08Å
429	G	97.7	Very high	96.6	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137.3	163.4	0	0	0	0	0	109.9	A440	G429-A440 PolarHBondContact N-O 2.81Å; G429-A440 VanDerWaalsContact N-O 3.07Å; G429-A440 PolarHBondContact O-N 2.81Å
430	V	98.2	Very high	96.7	Very high	18 Å²	18	22.5 Å²	22.5	11%	0.109	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.9	178.4	178.1	0	0	0	0	109.5	A384 V393 L428 L437 Y438 A439	A384-V430 HydrophobicContact CB-CG1 3.83Å; V393-V430 HydrophobicContact CB-CG2 4.09Å; V393-V430 HydrophobicContact CG1-CG2 4.38Å; V393-V430 HydrophobicContact CG2-CG1 4.28Å; V393-V430 HydrophobicContact CG2-CG2 4.39Å; L428-V430 HydrophobicContact CD1-CG2 3.71Å; L428-V430 HydrophobicContact CG-CG2 3.89Å; V430-L437 HydrophobicContact CG1-CD1 3.37Å; V430-L437 HydrophobicContact CG1-CG 4.06Å; V430-Y438 WeakPolarHBondContact CA-O 3.32Å; V430-A439 HydrophobicContact CG2-CB 4.43Å
431	A	97.6	Very high	96.7	Very high	6 Å²	6	19.9 Å²	19.9	5%	0.05	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.8	179.9	0	0	0	0	0	111.3	Y438 V477 T479 L484	A431-Y438 PolarHBondContact N-O 2.78Å; A431-Y438 PolarHBondContact O-N 2.83Å; A431-V477 HydrophobicContact CB-CB 3.95Å; A431-V477 HydrophobicContact CB-CG1 3.54Å; A431-T479 HydrophobicContact CB-CG2 3.65Å; A431-L484 HydrophobicContact CB-CD2 4.24Å
432	V	96.7	Very high	96.7	Very high	39 Å²	39	19.4 Å²	19.4	24%	0.236	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.4	-179.7	172.5	0	0	0	0	110.3	A384 I386 L436 L437 T479	A384-V432 HydrophobicContact CB-CG2 3.72Å; I386-V432 HydrophobicContact CB-CG1 4.15Å; I386-V432 HydrophobicContact CB-CG2 4.08Å; I386-V432 HydrophobicContact CD1-CG1 4.09Å; I386-V432 HydrophobicContact CG1-CG1 4.21Å; V432-L436 VanDerWaalsContact CA-O 3.31Å; V432-L436 WeakPolarHBondContact CA-O 3.46Å; V432-L437 HydrophobicContact CG2-CD1 3.67Å; V432-T479 WeakPolarHBondContact O-CG2 3.25Å; V432-T479 PolarHBondContact O-OG1 3.04Å
433	L	94.3	Very high	96.7	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.052	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.1	179	-179.1	59	0	0	0	109.7	G435 L436 Y438 T479 G482 L484 P504	L433-G435 PolarHBondContact O-N 3.43Å; L433-G435 VanDerWaalsContact O-N 3.14Å; L433-L436 PolarHBondContact N-O 2.67Å; L433-L436 WeakPolarHBondContact O-CB 3.41Å; L433-L436 PolarHBondContact O-N 2.8Å; L433-Y438 HydrophobicContact CB-CD2 4.11Å; L433-Y438 HydrophobicContact CB-CE2 3.7Å; L433-T479 HydrophobicContact CB-CG2 4.09Å; L433-G482 WeakPolarHBondContact CD2-O 3.11Å; L433-L484 HydrophobicContact CB-CD2 3.88Å; L433-L484 HydrophobicContact CD2-CD2 3.78Å; L433-L484 HydrophobicContact CD2-CG 3.87Å; L433-L484 HydrophobicContact CG-CD2 4.48Å; L433-P504 HydrophobicContact CD2-CG 3.59Å; L433-P504 HydrophobicContact CG-CG 4.47Å
434	H	90.4	Very high	96.7	Very high	55 Å²	55	17.4 Å²	17.4	26%	0.255	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	38.4	178.6	-52.9	134.2	0	0	0	114.8	R323 L436	R323-H434 HydrophobicContact CB-CB 4.04Å; R323-H434 WeakPolarHBondContact CD-O 3.43Å; H434-L436 VanDerWaalsContact C-N 3.28Å; H434-L436 PolarHBondContact O-N 2.69Å
435	G	91.1	Very high	96.6	Very high	29 Å²	29	13.4 Å²	13.4	30%	0.299	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	25.7	-179	0	0	0	0	0	113.6	R323 I386 L433	R323-G435 PolarHBondContact NH1-O 2.93Å; I386-G435 VanDerWaalsContact CD1-O 3.25Å; I386-G435 WeakPolarHBondContact CD1-O 3.37Å; L433-G435 PolarHBondContact O-N 3.43Å; L433-G435 VanDerWaalsContact O-N 3.14Å
436	L	94.7	Very high	96.4	Very high	1 Å²	1	17 Å²	17	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.9	171.4	-59.6	169.3	0	0	0	109	P320 R323 V432 L433 H434 Y438 D456	P320-L436 HydrophobicContact CB-CD1 3.93Å; P320-L436 HydrophobicContact CB-CD2 4.26Å; R323-L436 VanDerWaalsContact NH1-CD2 3.27Å; V432-L436 VanDerWaalsContact CA-O 3.31Å; V432-L436 WeakPolarHBondContact CA-O 3.46Å; L433-L436 PolarHBondContact N-O 2.67Å; L433-L436 WeakPolarHBondContact O-CB 3.41Å; L433-L436 PolarHBondContact O-N 2.8Å; H434-L436 VanDerWaalsContact C-N 3.28Å; H434-L436 PolarHBondContact O-N 2.69Å; L436-Y438 HydrophobicContact CB-CD2 4.33Å; L436-Y438 HydrophobicContact CB-CE2 3.61Å; L436-Y438 HydrophobicContact CD1-CE2 4.49Å; L436-D456 HydrophobicContact CD2-CB 3.55Å
437	L	97.4	Very high	96.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.3	178.5	-179	72.1	0	0	0	108.9	A384 Y391 V393 V430 V432 R454 Y455 W462	A384-L437 HydrophobicContact CB-CD1 3.69Å; Y391-L437 HydrophobicContact CD1-CD2 4.27Å; Y391-L437 HydrophobicContact CG-CD2 4.19Å; V393-L437 HydrophobicContact CG2-CD2 3.69Å; V430-L437 HydrophobicContact CG1-CD1 3.37Å; V430-L437 HydrophobicContact CG1-CG 4.06Å; V432-L437 HydrophobicContact CG2-CD1 3.67Å; L437-R454 CarbonylContact O-C 3.52Å; L437-R454 VanDerWaalsContact O-CA 3.24Å; L437-R454 WeakPolarHBondContact O-CA 3.36Å; L437-Y455 HydrophobicContact CB-CD1 4.29Å; L437-Y455 HydrophobicContact CD2-CD1 4.18Å; L437-Y455 PolarHBondContact N-O 2.84Å; L437-Y455 PolarHBondContact O-N 3.06Å; L437-W462 HydrophobicContact CD2-CH2 4.27Å
438	Y	98	Very high	96.3	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.5	-178.4	-68	-98.2	0	0	0	110.1	V430 A431 L433 L436 R454 I465 L484 Y502	V430-Y438 WeakPolarHBondContact CA-O 3.32Å; A431-Y438 PolarHBondContact N-O 2.78Å; A431-Y438 PolarHBondContact O-N 2.83Å; L433-Y438 HydrophobicContact CB-CD2 4.11Å; L433-Y438 HydrophobicContact CB-CE2 3.7Å; L436-Y438 HydrophobicContact CB-CD2 4.33Å; L436-Y438 HydrophobicContact CB-CE2 3.61Å; L436-Y438 HydrophobicContact CD1-CE2 4.49Å; Y438-R454 HydrophobicContact CD1-CB 3.61Å; Y438-R454 HydrophobicContact CE1-CB 3.63Å; Y438-R454 HydrophobicContact CE1-CG 4.47Å; Y438-R454 HydrophobicContact CG-CB 4.23Å; Y438-I465 HydrophobicContact CD1-CD1 3.89Å; Y438-I465 HydrophobicContact CE1-CD1 4.2Å; Y438-L484 HydrophobicContact CD1-CD1 3.42Å; Y438-L484 VanDerWaalsContact CD1-CD1 3.42Å; Y438-L484 HydrophobicContact CD2-CD1 4.04Å; Y438-L484 HydrophobicContact CD2-CD2 4.19Å; Y438-L484 HydrophobicContact CE1-CD1 3.9Å; Y438-L484 HydrophobicContact CE2-CD1 4.47Å; Y438-L484 HydrophobicContact CG-CD1 3.48Å; Y438-L484 VanDerWaalsContact CG-CD1 3.48Å; Y438-L484 HydrophobicContact CG-CD2 4.32Å; Y438-Y502 HydrophobicContact CE1-CE1 4.48Å
439	A	98.3	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.9	175.2	0	0	0	0	0	109.1	V393 M421 L428 V430 A452 E453 W462	V393-A439 HydrophobicContact CG1-CB 4.43Å; M421-A439 HydrophobicContact SD-CB 3.93Å; L428-A439 HydrophobicContact CD1-CB 4.08Å; V430-A439 HydrophobicContact CG2-CB 4.43Å; A439-A452 CarbonylContact O-C 3.55Å; A439-A452 VanDerWaalsContact O-CA 3.23Å; A439-A452 WeakPolarHBondContact O-CA 3.38Å; A439-E453 PolarHBondContact N-O 2.99Å; A439-E453 PolarHBondContact O-N 3.36Å; A439-W462 HydrophobicContact CB-CH2 4.18Å; A439-W462 HydrophobicContact CB-CZ3 3.93Å
440	A	98.3	Very high	96.4	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.017	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.1	-177	0	0	0	0	0	112.7	G429 A452 M468 V475 V477 W512	G429-A440 PolarHBondContact N-O 2.81Å; G429-A440 VanDerWaalsContact N-O 3.07Å; G429-A440 PolarHBondContact O-N 2.81Å; A440-A452 HydrophobicContact CB-CB 3.78Å; A440-M468 HydrophobicContact CB-CE 4.12Å; A440-M468 HydrophobicContact CB-SD 4.31Å; A440-V475 VanDerWaalsContact O-CG1 3.31Å; A440-V475 WeakPolarHBondContact O-CG1 3.36Å; A440-V477 HydrophobicContact CB-CG2 3.87Å; A440-W512 HydrophobicContact CB-CH2 4.36Å; A440-W512 HydrophobicContact CB-CZ2 4.45Å
441	G	98	Very high	96.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.15	C	C	.	.			trans	67	-145.7	176.2	0	0	0	0	0	113.1	R425 L449 S451	R425-G441 PolarHBondContact NH1-O 2.83Å; G441-L449 WeakPolarHBondContact CA-O 3.21Å; G441-S451 PolarHBondContact N-O 3.2Å
442	G	97.9	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.148	C	C	.	.			trans	93.9	-158	-178.8	0	0	0	0	0	114.1	S426 L449 R472	S426-G442 CarbonylContact O-C 3.57Å; S426-G442 WeakPolarHBondContact O-CA 3.37Å; G442-L449 PolarHBondContact O-N 2.78Å; G442-R472 PolarHBondContact N-O 3.19Å
443	Y	97.9	Very high	96.4	Very high	48 Å²	48	20.8 Å²	20.8	19%	0.188	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-135.8	135.6	-177.7	-174.8	-120.6	0	0	0	110.9	R425 S426 G445 A446 S447	R425-Y443 CarbonylContact C-O 3.45Å; R425-Y443 WeakPolarHBondContact CA-O 3.31Å; S426-Y443 PolarHBondContact N-O 2.84Å; S426-Y443 PolarHBondContact O-N 2.95Å; Y443-G445 VanDerWaalsContact CD1-N 3.31Å; Y443-G445 PolarHBondContact OH-O 3.44Å; Y443-A446 PolarHBondContact OH-N 3.37Å; Y443-S447 VanDerWaalsContact CD2-C 3.45Å; Y443-S447 WeakPolarHBondContact CD2-O 3.42Å; Y443-S447 VanDerWaalsContact CE2-N 3.3Å
444	D	96.5	Very high	96.5	Very high	25 Å²	25	21.5 Å²	21.5	13%	0.134	14%	0.141	C	C	.	.			trans	-101.7	18	-179	65.7	3.4	0	0	0	113.2	T423 R424 A446 S447 L449	T423-D444 HydrophobicContact CG2-CB 4.33Å; R424-D444 HydrophobicContact CG-CB 4.03Å; R424-D444 PolarHBondContact NE-O 2.89Å; R424-D444 PolarHBondContact NH2-O 3.25Å; R424-D444 WeakPolarHBondContact O-CA 3.49Å; R424-D444 WeakPolarHBondContact O-CB 3.4Å; D444-A446 VanDerWaalsContact C-N 3.26Å; D444-A446 PolarHBondContact O-N 3.49Å; D444-A446 WeakPolarHBondContact OD1-CA 3.37Å; D444-A446 PolarHBondContact OD1-N 2.84Å; D444-S447 PolarHBondContact N-O 3.17Å; D444-S447 PolarHBondContact OD1-N 3.01Å; D444-S447 PolarHBondContact OD2-OG 2.87Å; D444-L449 HydrophobicContact CB-CD1 4.14Å; D444-L449 HydrophobicContact CB-CD2 4.19Å; D444-L449 HydrophobicContact CB-CG 4.42Å
445	G	94.4	Very high	96.9	Very high	37 Å²	37	19 Å²	19	38%	0.381	13%	0.129	S	C	.	.	S	Bend	trans	86.5	-14.8	-173.5	0	0	0	0	0	114.5	D401 Y443	D401-G445 WeakPolarHBondContact OD2-CA 3.3Å; D401-G445 PolarHBondContact OD2-N 2.87Å; Y443-G445 VanDerWaalsContact CD1-N 3.31Å; Y443-G445 PolarHBondContact OH-O 3.44Å
446	A	94.9	Very high	97	Very high	77 Å²	77	18.1 Å²	18.1	64%	0.636	12%	0.117	S	C	*	.	S	Bend	trans	-128.1	-42.8	179.5	0	0	0	0	0	113.9	Y443 D444	Y443-A446 PolarHBondContact OH-N 3.37Å; D444-A446 VanDerWaalsContact C-N 3.26Å; D444-A446 PolarHBondContact O-N 3.49Å; D444-A446 WeakPolarHBondContact OD1-CA 3.37Å; D444-A446 PolarHBondContact OD1-N 2.84Å
447	S	95.9	Very high	97	Very high	44 Å²	44	19 Å²	19	31%	0.308	12%	0.123	S	C	.	.	S	Bend	trans	-135.4	145.2	-170.7	76.9	0	0	0	0	112.9	Y443 D444 L449	Y443-S447 VanDerWaalsContact CD2-C 3.45Å; Y443-S447 WeakPolarHBondContact CD2-O 3.42Å; Y443-S447 VanDerWaalsContact CE2-N 3.3Å; D444-S447 PolarHBondContact N-O 3.17Å; D444-S447 PolarHBondContact OD1-N 3.01Å; D444-S447 PolarHBondContact OD2-OG 2.87Å; S447-L449 PolarHBondContact O-N 3.38Å
448	C	97.5	Very high	96.7	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.02	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-70.1	128.1	168.7	-172.5	0	0	0	0	109.8	R471 R472 R473 Y490 S492	C448-R471 HydrophobicContact CB-CB 4.17Å; C448-R471 WeakPolarHBondContact O-CD 3.34Å; C448-R471 WeakPolarHBondContact O-CG 3.29Å; C448-R471 PolarHBondContact O-NH1 3.03Å; C448-R472 PolarHBondContact SG-N 3.14Å; C448-R473 PolarHBondContact SG-N 3.26Å; C448-Y490 PolarHBondContact SG-O 3.06Å; C448-S492 WeakPolarHBondContact CB-OG 3.41Å
449	L	98	Very high	96.4	Very high	12 Å²	12	20.8 Å²	20.8	6%	0.063	13%	0.133	C	C	.	.			trans	-93.6	143.6	-172.9	-57.2	175.5	0	0	0	111.5	T423 R425 G441 G442 D444 S447 R472	T423-L449 HydrophobicContact CG2-CD1 4.06Å; R425-L449 HydrophobicContact CG-CD1 3.8Å; G441-L449 WeakPolarHBondContact CA-O 3.21Å; G442-L449 PolarHBondContact O-N 2.78Å; D444-L449 HydrophobicContact CB-CD1 4.14Å; D444-L449 HydrophobicContact CB-CD2 4.19Å; D444-L449 HydrophobicContact CB-CG 4.42Å; S447-L449 PolarHBondContact O-N 3.38Å; L449-R472 PolarHBondContact O-N 3.11Å
450	N	97.8	Very high	96.2	Very high	46 Å²	46	22.8 Å²	22.8	25%	0.246	15%	0.147	C	C	.	.			trans	-111.4	-8.3	161.5	66.9	-29.7	0	0	0	112.2	A467 M468 T470 R471	N450-A467 WeakPolarHBondContact O-CA 3.14Å; N450-M468 HydrophobicContact CB-CB 4.26Å; N450-M468 WeakPolarHBondContact CB-O 3.14Å; N450-M468 PolarHBondContact ND2-O 3.15Å; N450-M468 PolarHBondContact O-N 3.35Å; N450-T470 VanDerWaalsContact CB-O 3.31Å; N450-T470 WeakPolarHBondContact CB-O 3.13Å; N450-R471 HydrophobicContact CB-CB 4.42Å; N450-R471 HydrophobicContact CB-CG 3.95Å
451	S	98.1	Very high	96	Very high	34 Å²	34	25.4 Å²	25.4	24%	0.238	16%	0.163	C	C	.	.			trans	-66.4	152.6	177.9	59.6	0	0	0	0	111.2	R425 G441	R425-S451 PolarHBondContact NH1-O 3.12Å; R425-S451 PolarHBondContact NH1-OG 2.83Å; R425-S451 PolarHBondContact NH2-OG 3.39Å; G441-S451 PolarHBondContact N-O 3.2Å
452	A	97.8	Very high	96	Very high	2 Å²	2	27 Å²	27	2%	0.017	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.4	174.8	0	0	0	0	0	110.3	A439 A440 I465 W512	A439-A452 CarbonylContact O-C 3.55Å; A439-A452 VanDerWaalsContact O-CA 3.23Å; A439-A452 WeakPolarHBondContact O-CA 3.38Å; A440-A452 HydrophobicContact CB-CB 3.78Å; A452-I465 HydrophobicContact CB-CD1 3.76Å; A452-I465 HydrophobicContact CB-CG1 3.59Å; A452-I465 WeakPolarHBondContact O-CG1 3.41Å; A452-I465 PolarHBondContact O-N 3.04Å; A452-W512 HydrophobicContact CB-CZ2 4.2Å
453	E	97.7	Very high	95.9	Very high	7 Å²	7	30 Å²	30	3%	0.033	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.3	-180	-63.8	171	-112.1	0	0	108.5	G422 T423 R425 A439 W462 T463	G422-E453 WeakPolarHBondContact CA-OE2 3.11Å; G422-E453 PolarHBondContact N-OE2 3.19Å; T423-E453 WeakPolarHBondContact CB-OE1 3.13Å; T423-E453 PolarHBondContact N-OE1 2.9Å; T423-E453 PolarHBondContact OG1-OE1 3.29Å; R425-E453 IonicContact CZ-OE1 3.21Å; R425-E453 IonicContact NE-OE1 3.01Å; R425-E453 PolarHBondContact NE-OE1 3.06Å; R425-E453 IonicContact NH2-OE1 2.7Å; R425-E453 PolarHBondContact NH2-OE1 3.49Å; A439-E453 PolarHBondContact N-O 2.99Å; A439-E453 PolarHBondContact O-N 3.36Å; E453-W462 HydrophobicContact CB-CE3 3.74Å; E453-W462 HydrophobicContact CB-CZ3 4.13Å; E453-T463 CarbonylContact C-O 3.6Å; E453-T463 WeakPolarHBondContact CA-O 3.28Å
454	R	96.5	Very high	95.8	Very high	26 Å²	26	32.2 Å²	32.2	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.2	172.3	75.9	-178.7	-175.9	-151	-2	110.3	E321 L437 Y438 W462 T463 I465	E321-R454 IonicContact OE1-CZ 3.18Å; E321-R454 IonicContact OE1-NH1 3.58Å; E321-R454 PolarHBondContact OE1-NH1 3.37Å; E321-R454 IonicContact OE1-NH2 2.65Å; E321-R454 PolarHBondContact OE1-NH2 2.76Å; L437-R454 CarbonylContact O-C 3.52Å; L437-R454 VanDerWaalsContact O-CA 3.24Å; L437-R454 WeakPolarHBondContact O-CA 3.36Å; Y438-R454 HydrophobicContact CD1-CB 3.61Å; Y438-R454 HydrophobicContact CE1-CB 3.63Å; Y438-R454 HydrophobicContact CE1-CG 4.47Å; Y438-R454 HydrophobicContact CG-CB 4.23Å; R454-W462 CarbonylContact O-C 3.47Å; R454-W462 VanDerWaalsContact O-CA 3.26Å; R454-W462 WeakPolarHBondContact O-CA 3.49Å; R454-T463 PolarHBondContact N-O 3.03Å; R454-T463 PolarHBondContact O-N 3.27Å; R454-I465 HydrophobicContact CB-CG2 4.14Å; R454-I465 HydrophobicContact CG-CG2 3.9Å
455	Y	97.4	Very high	95.8	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.3	176.8	174.8	-109.4	0	0	0	110.4	Y391 E418 V419 L437 P457 T461 W462	Y391-Y455 HydrophobicContact CD1-CE1 4.41Å; Y391-Y455 AromaticContact CE1-CE1 3.82Å; Y391-Y455 HydrophobicContact CE1-CE1 3.82Å; E418-Y455 PolarHBondContact OE2-OH 3.37Å; V419-Y455 HydrophobicContact CB-CE2 4.27Å; L437-Y455 HydrophobicContact CB-CD1 4.29Å; L437-Y455 HydrophobicContact CD2-CD1 4.18Å; L437-Y455 PolarHBondContact N-O 2.84Å; L437-Y455 PolarHBondContact O-N 3.06Å; Y455-P457 HydrophobicContact CE1-CB 3.87Å; Y455-T461 WeakPolarHBondContact CA-O 3.47Å; Y455-W462 VanDerWaalsContact CB-CZ2 3.49Å; Y455-W462 AromaticContact CD2-CD1 3.63Å; Y455-W462 HydrophobicContact CD2-CD2 4.05Å; Y455-W462 AromaticContact CD2-CE2 3.69Å; Y455-W462 HydrophobicContact CD2-CG 4.01Å; Y455-W462 HydrophobicContact CD2-CZ2 4.25Å; Y455-W462 AromaticContact CD2-NE1 3.42Å; Y455-W462 HydrophobicContact CG-CD2 4.21Å; Y455-W462 AromaticContact CG-CE2 3.78Å; Y455-W462 HydrophobicContact CG-CH2 4.44Å; Y455-W462 AromaticContact CG-CZ2 3.89Å; Y455-W462 HydrophobicContact CG-CZ2 3.89Å; Y455-W462 AromaticContact CG-NE1 3.98Å
456	D	95.2	Very high	95.8	Very high	9 Å²	9	31 Å²	31	5%	0.048	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	109.9	172.3	-174	1.2	0	0	0	110	R323 L436 L458 T459 S460 T461	R323-D456 IonicContact CZ-OD1 3.36Å; R323-D456 IonicContact CZ-OD2 3.27Å; R323-D456 IonicContact NH1-OD1 3.07Å; R323-D456 PolarHBondContact NH1-OD1 2.86Å; R323-D456 IonicContact NH1-OD2 2.83Å; R323-D456 VanDerWaalsContact NH2-CG 3.33Å; R323-D456 IonicContact NH2-OD1 2.76Å; R323-D456 PolarHBondContact NH2-OD1 2.97Å; R323-D456 IonicContact NH2-OD2 2.92Å; R323-D456 PolarHBondContact NH2-OD2 2.87Å; L436-D456 HydrophobicContact CD2-CB 3.55Å; D456-L458 PolarHBondContact O-N 2.87Å; D456-L458 WeakPolarHBondContact OD1-CB 3.44Å; D456-L458 PolarHBondContact OD1-N 3.44Å; D456-T459 WeakPolarHBondContact CB-OG1 3.34Å; D456-T459 PolarHBondContact O-N 3.33Å; D456-T459 PolarHBondContact OD2-OG1 3.12Å; D456-S460 VanDerWaalsContact O-CA 3.31Å; D456-S460 WeakPolarHBondContact O-CA 3.3Å; D456-S460 PolarHBondContact O-N 2.72Å; D456-T461 PolarHBondContact N-O 2.79Å; D456-T461 PolarHBondContact O-N 2.88Å
457	P	92.9	Very high	95.9	Very high	19 Å²	19	29.8 Å²	29.8	12%	0.123	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.2	179.3	29.5	-36.5	0	0	0	113.3	I386 Y455	I386-P457 HydrophobicContact CD1-CG 3.73Å; I386-P457 HydrophobicContact CG1-CG 4.4Å; Y455-P457 HydrophobicContact CE1-CB 3.87Å
458	L	91.7	Very high	96	Very high	25 Å²	25	27.8 Å²	27.8	13%	0.131	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-27.4	179.3	-64.9	-177.8	0	0	0	112.8	P283 R287 Y316 D456	P283-L458 WeakPolarHBondContact O-CD1 3.29Å; R287-L458 WeakPolarHBondContact CB-O 3.44Å; R287-L458 PolarHBondContact N-O 2.97Å; Y316-L458 HydrophobicContact CD1-CD1 4.24Å; Y316-L458 HydrophobicContact CE1-CD1 3.85Å; D456-L458 PolarHBondContact O-N 2.87Å; D456-L458 WeakPolarHBondContact OD1-CB 3.44Å; D456-L458 PolarHBondContact OD1-N 3.44Å
459	T	91.8	Very high	96	Very high	17 Å²	17	32.1 Å²	32.1	10%	0.104	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-9.1	176.8	59.9	0	0	0	0	113	R287 D456 T461	R287-T459 HydrophobicContact CB-CG2 4.39Å; D456-T459 WeakPolarHBondContact CB-OG1 3.34Å; D456-T459 PolarHBondContact O-N 3.33Å; D456-T459 PolarHBondContact OD2-OG1 3.12Å; T459-T461 VanDerWaalsContact C-N 3.35Å; T459-T461 PolarHBondContact O-N 3.14Å; T459-T461 PolarHBondContact OG1-OG1 3.44Å
460	S	93.4	Very high	95.9	Very high	42 Å²	42	33.5 Å²	33.5	29%	0.294	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	43	-175.7	-59.7	0	0	0	0	113.2	V419 D456	V419-S460 WeakPolarHBondContact CG2-O 3.29Å; D456-S460 VanDerWaalsContact O-CA 3.31Å; D456-S460 WeakPolarHBondContact O-CA 3.3Å; D456-S460 PolarHBondContact O-N 2.72Å
461	T	95.3	Very high	95.9	Very high	57 Å²	57	37.1 Å²	37.1	35%	0.35	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134	-176.7	53.6	0	0	0	0	112.5	Y455 D456 T459	Y455-T461 WeakPolarHBondContact CA-O 3.47Å; D456-T461 PolarHBondContact N-O 2.79Å; D456-T461 PolarHBondContact O-N 2.88Å; T459-T461 VanDerWaalsContact C-N 3.35Å; T459-T461 PolarHBondContact O-N 3.14Å; T459-T461 PolarHBondContact OG1-OG1 3.44Å
462	W	97.6	Very high	95.9	Very high	35 Å²	35	35.5 Å²	35.5	13%	0.133	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.4	164.2	-73.4	92.3	0	0	0	110.5	V393 V405 V419 M421 L437 A439 E453 R454 Y455	V393-W462 HydrophobicContact CG1-CH2 4.06Å; V393-W462 HydrophobicContact CG1-CZ2 4.35Å; V405-W462 HydrophobicContact CG2-CZ2 3.96Å; V419-W462 PolarHBondContact O-NE1 2.92Å; M421-W462 HydrophobicContact CB-CD2 4.47Å; M421-W462 HydrophobicContact CG-CD2 3.89Å; M421-W462 HydrophobicContact CG-CE3 4.02Å; M421-W462 HydrophobicContact CG-CH2 3.71Å; M421-W462 HydrophobicContact CG-CZ2 3.56Å; M421-W462 HydrophobicContact CG-CZ3 3.93Å; M421-W462 HydrophobicContact SD-CH2 4.13Å; M421-W462 HydrophobicContact SD-CZ2 4.47Å; M421-W462 HydrophobicContact SD-CZ3 4.37Å; L437-W462 HydrophobicContact CD2-CH2 4.27Å; A439-W462 HydrophobicContact CB-CH2 4.18Å; A439-W462 HydrophobicContact CB-CZ3 3.93Å; E453-W462 HydrophobicContact CB-CE3 3.74Å; E453-W462 HydrophobicContact CB-CZ3 4.13Å; R454-W462 CarbonylContact O-C 3.47Å; R454-W462 VanDerWaalsContact O-CA 3.26Å; R454-W462 WeakPolarHBondContact O-CA 3.49Å; Y455-W462 VanDerWaalsContact CB-CZ2 3.49Å; Y455-W462 AromaticContact CD2-CD1 3.63Å; Y455-W462 HydrophobicContact CD2-CD2 4.05Å; Y455-W462 AromaticContact CD2-CE2 3.69Å; Y455-W462 HydrophobicContact CD2-CG 4.01Å; Y455-W462 HydrophobicContact CD2-CZ2 4.25Å; Y455-W462 AromaticContact CD2-NE1 3.42Å; Y455-W462 HydrophobicContact CG-CD2 4.21Å; Y455-W462 AromaticContact CG-CE2 3.78Å; Y455-W462 HydrophobicContact CG-CH2 4.44Å; Y455-W462 AromaticContact CG-CZ2 3.89Å; Y455-W462 HydrophobicContact CG-CZ2 3.89Å; Y455-W462 AromaticContact CG-NE1 3.98Å
463	T	96	Very high	95.8	Very high	62 Å²	62	37.9 Å²	37.9	38%	0.38	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	132.6	176.2	-51.3	0	0	0	0	109.4	E453 R454	E453-T463 CarbonylContact C-O 3.6Å; E453-T463 WeakPolarHBondContact CA-O 3.28Å; R454-T463 PolarHBondContact N-O 3.03Å; R454-T463 PolarHBondContact O-N 3.27Å
464	S	95.9	Very high	95.8	Very high	95 Å²	95	39.7 Å²	39.7	66%	0.664	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.7	173.4	-58.6	0	0	0	0	110.6
465	I	95.2	Very high	95.9	Very high	22 Å²	22	38.5 Å²	38.5	11%	0.113	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	179.6	170.8	62.5	160.3	0	0	0	109.7	Y438 A452 R454 A467 Y502 W512	Y438-I465 HydrophobicContact CD1-CD1 3.89Å; Y438-I465 HydrophobicContact CE1-CD1 4.2Å; A452-I465 HydrophobicContact CB-CD1 3.76Å; A452-I465 HydrophobicContact CB-CG1 3.59Å; A452-I465 WeakPolarHBondContact O-CG1 3.41Å; A452-I465 PolarHBondContact O-N 3.04Å; R454-I465 HydrophobicContact CB-CG2 4.14Å; R454-I465 HydrophobicContact CG-CG2 3.9Å; I465-A467 PolarHBondContact O-N 2.73Å; I465-Y502 HydrophobicContact CD1-CD1 4.36Å; I465-Y502 HydrophobicContact CD1-CE1 3.98Å; I465-W512 HydrophobicContact CD1-CZ2 4.2Å
466	A	95.6	Very high	95.9	Very high	15 Å²	15	39.9 Å²	39.9	12%	0.124	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-48.9	136.4	174.3	0	0	0	0	0	111.7	Y502 N510 W512	A466-Y502 HydrophobicContact CB-CD2 4.45Å; A466-Y502 HydrophobicContact CB-CE2 3.86Å; A466-N510 WeakPolarHBondContact CB-O 3.31Å; A466-W512 PolarHBondContact O-NE1 2.85Å
467	A	97.3	Very high	96	Very high	50 Å²	50	40 Å²	40	41%	0.413	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-77	145.3	173.3	0	0	0	0	0	110.2	N450 I465 W512	N450-A467 WeakPolarHBondContact O-CA 3.14Å; I465-A467 PolarHBondContact O-N 2.73Å; A467-W512 VanDerWaalsContact C-CD1 3.42Å; A467-W512 VanDerWaalsContact O-CD1 3.22Å
468	M	97.7	Very high	96.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-62	153.6	170	-66.8	174.5	-65	0	0	110.4	A440 N450 T470 R472 A486 W512	A440-M468 HydrophobicContact CB-CE 4.12Å; A440-M468 HydrophobicContact CB-SD 4.31Å; N450-M468 HydrophobicContact CB-CB 4.26Å; N450-M468 WeakPolarHBondContact CB-O 3.14Å; N450-M468 PolarHBondContact ND2-O 3.15Å; N450-M468 PolarHBondContact O-N 3.35Å; M468-T470 VanDerWaalsContact C-N 3.26Å; M468-T470 WeakPolarHBondContact CB-O 3.38Å; M468-T470 PolarHBondContact O-N 3.28Å; M468-R472 HydrophobicContact CE-CB 4.42Å; M468-R472 HydrophobicContact CE-CG 4.48Å; M468-A486 HydrophobicContact SD-CB 3.51Å; M468-A486 VanDerWaalsContact SD-CB 3.51Å; M468-W512 HydrophobicContact CB-CD2 4.42Å; M468-W512 HydrophobicContact CB-CG 4.31Å; M468-W512 HydrophobicContact CG-CD2 3.46Å; M468-W512 VanDerWaalsContact CG-CD2 3.46Å; M468-W512 HydrophobicContact CG-CE3 3.84Å; M468-W512 HydrophobicContact CG-CG 3.84Å; M468-W512 HydrophobicContact CG-CH2 4.33Å; M468-W512 HydrophobicContact CG-CZ2 3.99Å; M468-W512 HydrophobicContact CG-CZ3 4.26Å; M468-W512 HydrophobicContact SD-CE3 4.48Å; M468-W512 HydrophobicContact SD-CH2 4.47Å; M468-W512 HydrophobicContact SD-CZ3 4.43Å
469	S	96.4	Very high	96.5	Very high	94 Å²	94	40.7 Å²	40.7	66%	0.657	23%	0.233	S	C	*	.	S	Bend	trans	-67.6	-33.3	176	-50.8	0	0	0	0	111.1	E500	S469-E500 VanDerWaalsContact CB-OE2 3.3Å; S469-E500 WeakPolarHBondContact CB-OE2 3.39Å; S469-E500 PolarHBondContact N-OE2 3.08Å; S469-E500 PolarHBondContact OG-OE2 2.87Å
470	T	96.3	Very high	96.7	Very high	41 Å²	41	40.1 Å²	40.1	25%	0.252	23%	0.23	S	C	.	.	S	Bend	trans	-111.7	143.7	-179.3	-47.5	0	0	0	0	111.1	N450 M468 D491 L496 E500	N450-T470 VanDerWaalsContact CB-O 3.31Å; N450-T470 WeakPolarHBondContact CB-O 3.13Å; M468-T470 VanDerWaalsContact C-N 3.26Å; M468-T470 WeakPolarHBondContact CB-O 3.38Å; M468-T470 PolarHBondContact O-N 3.28Å; T470-D491 HydrophobicContact CG2-CB 4.2Å; T470-L496 HydrophobicContact CG2-CD1 3.75Å; T470-L496 HydrophobicContact CG2-CD2 4.29Å; T470-E500 WeakPolarHBondContact CB-OE1 3.3Å; T470-E500 PolarHBondContact N-OE1 2.84Å; T470-E500 PolarHBondContact OG1-OE1 3.31Å
471	R	97.8	Very high	96.6	Very high	122 Å²	122	43.4 Å²	43.4	46%	0.46	24%	0.244	S	C	.	.			trans	-74.7	133.1	170.2	-62.8	169.1	-177.3	-94.5	1.3	109.1	C448 N450 D491	C448-R471 HydrophobicContact CB-CB 4.17Å; C448-R471 WeakPolarHBondContact O-CD 3.34Å; C448-R471 WeakPolarHBondContact O-CG 3.29Å; C448-R471 PolarHBondContact O-NH1 3.03Å; N450-R471 HydrophobicContact CB-CB 4.42Å; N450-R471 HydrophobicContact CB-CG 3.95Å; R471-D491 VanDerWaalsContact O-CA 3.25Å; R471-D491 WeakPolarHBondContact O-CA 3.47Å; R471-D491 WeakPolarHBondContact O-CB 3.45Å
472	R	97.6	Very high	96.5	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	24%	0.239	C	C	.	.			trans	-140.2	101.1	-173.5	-51.6	176.4	176.2	-90.5	-3.1	111.7	G442 C448 L449 M468 V475 G488 L496 T498 E500	G442-R472 PolarHBondContact N-O 3.19Å; C448-R472 PolarHBondContact SG-N 3.14Å; L449-R472 PolarHBondContact O-N 3.11Å; M468-R472 HydrophobicContact CE-CB 4.42Å; M468-R472 HydrophobicContact CE-CG 4.48Å; R472-V475 HydrophobicContact CB-CB 3.7Å; R472-V475 HydrophobicContact CB-CG1 4.3Å; R472-V475 HydrophobicContact CB-CG2 3.94Å; R472-G488 PolarHBondContact NH1-O 2.86Å; R472-L496 HydrophobicContact CG-CD1 3.86Å; R472-T498 PolarHBondContact NH1-O 3.03Å; R472-T498 PolarHBondContact NH1-OG1 2.8Å; R472-T498 PolarHBondContact NH2-OG1 3.19Å; R472-E500 IonicContact CZ-OE1 3.62Å; R472-E500 VanDerWaalsContact CZ-OE1 3.25Å; R472-E500 IonicContact NE-OE1 2.65Å; R472-E500 PolarHBondContact NE-OE1 2.99Å; R472-E500 IonicContact NH2-OE1 3.47Å; R472-E500 PolarHBondContact NH2-OE1 2.79Å
473	R	96.8	Very high	96.4	Very high	51 Å²	51	40.2 Å²	40.2	19%	0.192	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-86.2	147.7	163.1	-173.2	-166	-68.7	-170.9	4.9	108.6	C427 C448 V475 G489 Y490	C427-R473 HydrophobicContact CB-CG 3.53Å; C448-R473 PolarHBondContact SG-N 3.26Å; R473-V475 PolarHBondContact O-N 2.83Å; R473-G489 CarbonylContact O-C 3.57Å; R473-G489 WeakPolarHBondContact O-CA 3.3Å; R473-Y490 PolarHBondContact N-O 3.01Å; R473-Y490 PolarHBondContact O-N 2.94Å
474	Y	97.4	Very high	96.4	Very high	46 Å²	46	37.3 Å²	37.3	18%	0.18	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	30.1	-177.5	-57.3	-71.2	0	0	0	112.6	C427 S524	C427-Y474 HydrophobicContact CB-CD1 3.54Å; C427-Y474 HydrophobicContact CB-CE1 3.82Å; C427-Y474 HydrophobicContact CB-CG 3.97Å; C427-Y474 VanDerWaalsContact O-CA 3.29Å; C427-Y474 WeakPolarHBondContact O-CA 3.29Å; C427-Y474 PolarHBondContact O-N 3.07Å; C427-Y474 WeakPolarHBondContact SG-CE1 3.41Å; Y474-S524 VanDerWaalsContact CB-OG 3.28Å; Y474-S524 WeakPolarHBondContact CB-OG 3.3Å; Y474-S524 WeakPolarHBondContact CD1-OG 3.5Å; Y474-S524 PolarHBondContact O-N 2.94Å; Y474-S524 VanDerWaalsContact O-N 3.09Å
475	V	97.8	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.			trans	-73.1	152.7	172.1	67.1	0	0	0	0	109.4	A440 R472 R473 A486	A440-V475 VanDerWaalsContact O-CG1 3.31Å; A440-V475 WeakPolarHBondContact O-CG1 3.36Å; R472-V475 HydrophobicContact CB-CB 3.7Å; R472-V475 HydrophobicContact CB-CG1 4.3Å; R472-V475 HydrophobicContact CB-CG2 3.94Å; R473-V475 PolarHBondContact O-N 2.83Å; V475-A486 HydrophobicContact CG2-CB 4.09Å
476	R	97.6	Very high	96.7	Very high	32 Å²	32	32 Å²	32	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.3	163.6	-66.5	-64.6	-178.8	-122.2	13.2	109.3	V487 A525 V527 H572	R476-V487 PolarHBondContact N-O 2.92Å; R476-V487 PolarHBondContact O-N 2.88Å; R476-A525 WeakPolarHBondContact CG-O 3.37Å; R476-A525 PolarHBondContact NE-O 3.08Å; R476-V527 HydrophobicContact CB-CB 3.71Å; R476-V527 HydrophobicContact CB-CG2 3.44Å; R476-V527 VanDerWaalsContact CB-CG2 3.44Å; R476-V527 HydrophobicContact CG-CB 4.28Å; R476-V527 HydrophobicContact CG-CG2 3.87Å; R476-H572 PolarHBondContact NH2-O 2.8Å; R476-H572 VanDerWaalsContact NH2-O 3.15Å
477	V	97.9	Very high	96.8	Very high	12 Å²	12	31.6 Å²	31.6	7%	0.073	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.1	176.5	-175.7	0	0	0	0	107.8	A431 A440 L484 Y485 A486	A431-V477 HydrophobicContact CB-CB 3.95Å; A431-V477 HydrophobicContact CB-CG1 3.54Å; A440-V477 HydrophobicContact CB-CG2 3.87Å; V477-L484 HydrophobicContact CG1-CB 4.19Å; V477-L484 HydrophobicContact CG1-CD2 4.35Å; V477-Y485 VanDerWaalsContact CA-O 3.26Å; V477-Y485 WeakPolarHBondContact CA-O 3.16Å; V477-A486 HydrophobicContact CG2-CB 4.45Å
478	A	97.6	Very high	96.9	Very high	9 Å²	9	29.3 Å²	29.3	7%	0.074	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.1	176	0	0	0	0	0	110.4	Y485 V527 V529 L534	A478-Y485 PolarHBondContact N-O 2.95Å; A478-Y485 VanDerWaalsContact N-O 3.12Å; A478-Y485 PolarHBondContact O-N 3.04Å; A478-V527 HydrophobicContact CB-CG1 3.73Å; A478-V529 HydrophobicContact CB-CG2 4.1Å; A478-L534 HydrophobicContact CB-CD1 3.54Å
479	T	97.1	Very high	96.9	Very high	49 Å²	49	29.2 Å²	29.2	30%	0.301	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.6	-177.1	64.6	0	0	0	0	110.6	A431 V432 L433 S483 L484 V529	A431-T479 HydrophobicContact CB-CG2 3.65Å; V432-T479 WeakPolarHBondContact O-CG2 3.25Å; V432-T479 PolarHBondContact O-OG1 3.04Å; L433-T479 HydrophobicContact CB-CG2 4.09Å; T479-S483 WeakPolarHBondContact CA-O 3.46Å; T479-L484 HydrophobicContact CG2-CD2 3.51Å; T479-V529 WeakPolarHBondContact O-CG2 3.25Å
480	L	96.6	Very high	96.9	Very high	5 Å²	5	28 Å²	28	3%	0.026	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	131.1	-178.6	173.6	62.7	0	0	0	108.8	G482 S483 Y485 V529 L534 P554	L480-G482 VanDerWaalsContact C-N 3.26Å; L480-G482 PolarHBondContact O-N 2.95Å; L480-G482 VanDerWaalsContact O-N 3.17Å; L480-S483 PolarHBondContact N-O 3.1Å; L480-S483 PolarHBondContact O-N 2.81Å; L480-Y485 HydrophobicContact CB-CD2 4Å; L480-Y485 HydrophobicContact CB-CE2 3.68Å; L480-Y485 HydrophobicContact CD2-CE2 4.4Å; L480-Y485 HydrophobicContact CG-CE2 4.29Å; L480-Y485 WeakPolarHBondContact O-CE2 3.41Å; L480-V529 HydrophobicContact CB-CG1 4.44Å; L480-V529 HydrophobicContact CB-CG2 4.1Å; L480-V529 HydrophobicContact CD1-CG1 3.76Å; L480-L534 HydrophobicContact CD2-CB 4.01Å; L480-P554 HydrophobicContact CD2-CB 4.12Å; L480-P554 HydrophobicContact CD2-CG 3.85Å; L480-P554 HydrophobicContact CG-CG 4.39Å
481	D	92.1	Very high	96.9	Very high	112 Å²	112	27.8 Å²	27.8	60%	0.599	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	43.1	176.8	-59.9	-23	0	0	0	114.2	S483 P554	D481-S483 VanDerWaalsContact C-N 3.29Å; D481-S483 PolarHBondContact O-N 3.44Å; D481-P554 WeakPolarHBondContact OD2-CG 3.48Å
482	G	91.6	Very high	96.8	Very high	23 Å²	23	25.2 Å²	25.2	24%	0.237	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	5.5	177	0	0	0	0	0	115.2	L433 L480	L433-G482 WeakPolarHBondContact CD2-O 3.11Å; L480-G482 VanDerWaalsContact C-N 3.26Å; L480-G482 PolarHBondContact O-N 2.95Å; L480-G482 VanDerWaalsContact O-N 3.17Å
483	S	95.3	Very high	96.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	158.9	-180	-54.9	0	0	0	0	112.6	T479 L480 D481 K501 Y502	T479-S483 WeakPolarHBondContact CA-O 3.46Å; L480-S483 PolarHBondContact N-O 3.1Å; L480-S483 PolarHBondContact O-N 2.81Å; D481-S483 VanDerWaalsContact C-N 3.29Å; D481-S483 PolarHBondContact O-N 3.44Å; S483-K501 WeakPolarHBondContact OG-CE 3.19Å; S483-Y502 WeakPolarHBondContact CA-O 3.26Å; S483-Y502 WeakPolarHBondContact CB-O 3.07Å
484	L	97.6	Very high	96.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141.3	171.6	-56.7	176.5	0	0	0	110.3	A431 L433 Y438 V477 T479 K501 Y502 W512	A431-L484 HydrophobicContact CB-CD2 4.24Å; L433-L484 HydrophobicContact CB-CD2 3.88Å; L433-L484 HydrophobicContact CD2-CD2 3.78Å; L433-L484 HydrophobicContact CD2-CG 3.87Å; L433-L484 HydrophobicContact CG-CD2 4.48Å; Y438-L484 HydrophobicContact CD1-CD1 3.42Å; Y438-L484 VanDerWaalsContact CD1-CD1 3.42Å; Y438-L484 HydrophobicContact CD2-CD1 4.04Å; Y438-L484 HydrophobicContact CD2-CD2 4.19Å; Y438-L484 HydrophobicContact CE1-CD1 3.9Å; Y438-L484 HydrophobicContact CE2-CD1 4.47Å; Y438-L484 HydrophobicContact CG-CD1 3.48Å; Y438-L484 VanDerWaalsContact CG-CD1 3.48Å; Y438-L484 HydrophobicContact CG-CD2 4.32Å; V477-L484 HydrophobicContact CG1-CB 4.19Å; V477-L484 HydrophobicContact CG1-CD2 4.35Å; T479-L484 HydrophobicContact CG2-CD2 3.51Å; L484-K501 CarbonylContact O-C 3.52Å; L484-K501 VanDerWaalsContact O-CA 3.27Å; L484-K501 WeakPolarHBondContact O-CA 3.5Å; L484-Y502 HydrophobicContact CD1-CD1 3.89Å; L484-Y502 HydrophobicContact CG-CD1 4.41Å; L484-Y502 PolarHBondContact N-O 2.73Å; L484-Y502 PolarHBondContact O-N 2.75Å; L484-W512 HydrophobicContact CB-CH2 4.25Å; L484-W512 HydrophobicContact CB-CZ3 4.42Å; L484-W512 HydrophobicContact CD1-CH2 4.4Å
485	Y	98.4	Very high	96.5	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.027	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	114.2	175.1	-69.1	-103	0	0	0	109.3	V477 A478 L480 V499 E500 K501 I515 L534 F552	V477-Y485 VanDerWaalsContact CA-O 3.26Å; V477-Y485 WeakPolarHBondContact CA-O 3.16Å; A478-Y485 PolarHBondContact N-O 2.95Å; A478-Y485 VanDerWaalsContact N-O 3.12Å; A478-Y485 PolarHBondContact O-N 3.04Å; L480-Y485 HydrophobicContact CB-CD2 4Å; L480-Y485 HydrophobicContact CB-CE2 3.68Å; L480-Y485 HydrophobicContact CD2-CE2 4.4Å; L480-Y485 HydrophobicContact CG-CE2 4.29Å; L480-Y485 WeakPolarHBondContact O-CE2 3.41Å; Y485-V499 HydrophobicContact CD1-CG1 4.42Å; Y485-E500 CarbonylContact C-O 3.43Å; Y485-E500 WeakPolarHBondContact CA-O 3.49Å; Y485-K501 HydrophobicContact CD1-CB 4.32Å; Y485-K501 HydrophobicContact CD1-CG 4.5Å; Y485-K501 HydrophobicContact CE1-CB 4.15Å; Y485-K501 HydrophobicContact CE1-CD 4.16Å; Y485-K501 HydrophobicContact CE1-CG 4.04Å; Y485-K501 HydrophobicContact CE2-CG 4.34Å; Y485-I515 HydrophobicContact CD1-CD1 3.62Å; Y485-I515 HydrophobicContact CE1-CD1 3.66Å; Y485-L534 HydrophobicContact CD1-CD2 4.24Å; Y485-L534 HydrophobicContact CG-CD2 4.22Å; Y485-F552 AromaticContact CE1-CE1 3.89Å; Y485-F552 HydrophobicContact CE1-CE1 3.89Å
486	A	98.4	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.7	173.1	0	0	0	0	0	109.6	M468 V475 V477 V499 E500 W512	M468-A486 HydrophobicContact SD-CB 3.51Å; M468-A486 VanDerWaalsContact SD-CB 3.51Å; V475-A486 HydrophobicContact CG2-CB 4.09Å; V477-A486 HydrophobicContact CG2-CB 4.45Å; A486-V499 WeakPolarHBondContact O-CA 3.4Å; A486-V499 WeakPolarHBondContact O-CG1 3.5Å; A486-E500 PolarHBondContact N-O 3.27Å; A486-E500 PolarHBondContact O-N 2.93Å; A486-W512 HydrophobicContact CB-CE3 4.18Å; A486-W512 HydrophobicContact CB-CH2 4.25Å; A486-W512 HydrophobicContact CB-CZ3 3.59Å
487	V	98.4	Very high	96.6	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.8	-166	-175.6	0	0	0	0	111	R476 V499 M518 V527 L534 V536	R476-V487 PolarHBondContact N-O 2.92Å; R476-V487 PolarHBondContact O-N 2.88Å; V487-V499 HydrophobicContact CB-CG2 4.47Å; V487-V499 HydrophobicContact CG1-CG2 4.02Å; V487-V499 HydrophobicContact CG2-CG1 3.93Å; V487-M518 HydrophobicContact CG1-CE 3.97Å; V487-M518 HydrophobicContact CG1-SD 3.46Å; V487-M518 WeakPolarHBondContact CG1-SD 3.2Å; V487-V527 HydrophobicContact CB-CG2 4.18Å; V487-V527 HydrophobicContact CG1-CG2 4.21Å; V487-V527 HydrophobicContact CG2-CG1 4.18Å; V487-L534 HydrophobicContact CG2-CD2 3.91Å; V487-V536 HydrophobicContact CG1-CG1 4.38Å; V487-V536 HydrophobicContact CG1-CG2 3.72Å
488	G	97.8	Very high	96.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	19%	0.19	C	C	.	.			trans	61.3	-142.8	172.1	0	0	0	0	0	113.6	R472 L496 T498	R472-G488 PolarHBondContact NH1-O 2.86Å; G488-L496 WeakPolarHBondContact CA-O 3.49Å; G488-T498 PolarHBondContact N-O 3.31Å; G488-T498 VanDerWaalsContact N-O 3.12Å
489	G	97.7	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.187	C	C	.	.			trans	105.9	-161.7	-178.1	0	0	0	0	0	113.1	R473 L496 R522	R473-G489 CarbonylContact O-C 3.57Å; R473-G489 WeakPolarHBondContact O-CA 3.3Å; G489-L496 PolarHBondContact O-N 2.87Å; G489-R522 PolarHBondContact N-O 3.4Å
490	Y	97.6	Very high	96.7	Very high	68 Å²	68	28.5 Å²	28.5	27%	0.267	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-135.5	128.6	-178.7	179.9	-106.8	0	0	0	109.6	C448 R473 S492 S494 H495	C448-Y490 PolarHBondContact SG-O 3.06Å; R473-Y490 PolarHBondContact N-O 3.01Å; R473-Y490 PolarHBondContact O-N 2.94Å; Y490-S492 VanDerWaalsContact CE1-C 3.42Å; Y490-S492 PolarHBondContact OH-O 2.83Å; Y490-S494 WeakPolarHBondContact CA-O 3.39Å; Y490-S494 VanDerWaalsContact CD2-C 3.47Å; Y490-S494 WeakPolarHBondContact CD2-O 3.38Å; Y490-H495 AromaticContact CD2-CD2 3.81Å
491	D	96.1	Very high	96.7	Very high	37 Å²	37	31.2 Å²	31.2	20%	0.198	19%	0.185	C	C	.	.			trans	-94.1	12.7	-172.3	66.1	13.3	0	0	0	114.8	T470 R471 S493 S494 L496	T470-D491 HydrophobicContact CG2-CB 4.2Å; R471-D491 VanDerWaalsContact O-CA 3.25Å; R471-D491 WeakPolarHBondContact O-CA 3.47Å; R471-D491 WeakPolarHBondContact O-CB 3.45Å; D491-S493 VanDerWaalsContact C-N 3.33Å; D491-S493 VanDerWaalsContact OD1-CA 3.31Å; D491-S493 WeakPolarHBondContact OD1-CA 3.5Å; D491-S493 WeakPolarHBondContact OD1-CB 3.46Å; D491-S493 PolarHBondContact OD1-N 3.24Å; D491-S493 PolarHBondContact OD1-OG 2.52Å; D491-S493 PolarHBondContact OD2-OG 2.86Å; D491-S494 PolarHBondContact N-O 2.81Å; D491-S494 PolarHBondContact OD1-N 2.83Å; D491-S494 PolarHBondContact OD2-OG 3.04Å; D491-L496 HydrophobicContact CB-CD1 4.22Å; D491-L496 HydrophobicContact CB-CD2 4.17Å; D491-L496 HydrophobicContact CB-CG 4.45Å
492	S	94.5	Very high	96.9	Very high	69 Å²	69	26.1 Å²	26.1	48%	0.483	16%	0.157	S	C	.	.	S	Bend	trans	86.5	-14.8	-166.2	-40.9	0	0	0	0	115.2	C448 Y490	C448-S492 WeakPolarHBondContact CB-OG 3.41Å; Y490-S492 VanDerWaalsContact CE1-C 3.42Å; Y490-S492 PolarHBondContact OH-O 2.83Å
493	S	94.4	Very high	97	Very high	95 Å²	95	27.6 Å²	27.6	66%	0.664	16%	0.16	S	C	*	.	S	Bend	trans	-125.1	-38.7	-179	71.7	0	0	0	0	113.8	D491	D491-S493 VanDerWaalsContact C-N 3.33Å; D491-S493 VanDerWaalsContact OD1-CA 3.31Å; D491-S493 WeakPolarHBondContact OD1-CA 3.5Å; D491-S493 WeakPolarHBondContact OD1-CB 3.46Å; D491-S493 PolarHBondContact OD1-N 3.24Å; D491-S493 PolarHBondContact OD1-OG 2.52Å; D491-S493 PolarHBondContact OD2-OG 2.86Å
494	S	95.8	Very high	96.6	Very high	49 Å²	49	27.7 Å²	27.7	34%	0.343	16%	0.16	S	C	.	.	S	Bend	trans	-140.8	148.9	-169.1	80	0	0	0	0	111.7	Y490 D491	Y490-S494 WeakPolarHBondContact CA-O 3.39Å; Y490-S494 VanDerWaalsContact CD2-C 3.47Å; Y490-S494 WeakPolarHBondContact CD2-O 3.38Å; D491-S494 PolarHBondContact N-O 2.81Å; D491-S494 PolarHBondContact OD1-N 2.83Å; D491-S494 PolarHBondContact OD2-OG 3.04Å
495	H	97.3	Very high	96	Very high	44 Å²	44	31.8 Å²	31.8	20%	0.204	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-77.4	133.6	168.4	-69	-115.4	0	0	0	108.7	Y490 R521 S523 N540 G542	Y490-H495 AromaticContact CD2-CD2 3.81Å; H495-R521 HydrophobicContact CB-CB 4.25Å; H495-R521 HydrophobicContact CB-CG 4.06Å; H495-R521 WeakPolarHBondContact O-CB 3.44Å; H495-S523 PolarHBondContact CE1-OG 2.85Å; H495-S523 PolarHBondContact ND1-OG 3.18Å; H495-N540 PolarHBondContact ND1-O 3.35Å; H495-G542 PolarHBondContact CE1-N 3.14Å; H495-G542 PolarHBondContact ND1-N 3.25Å; H495-G542 VanDerWaalsContact NE2-CA 3.27Å; H495-G542 WeakPolarHBondContact NE2-CA 3.32Å
496	L	97.9	Very high	95.3	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.063	20%	0.196	C	C	.	.			trans	-97.8	135.6	-169.4	-58.6	175.2	0	0	0	112	T470 R472 G488 G489 D491 R521 R522	T470-L496 HydrophobicContact CG2-CD1 3.75Å; T470-L496 HydrophobicContact CG2-CD2 4.29Å; R472-L496 HydrophobicContact CG-CD1 3.86Å; G488-L496 WeakPolarHBondContact CA-O 3.49Å; G489-L496 PolarHBondContact O-N 2.87Å; D491-L496 HydrophobicContact CB-CD1 4.22Å; D491-L496 HydrophobicContact CB-CD2 4.17Å; D491-L496 HydrophobicContact CB-CG 4.45Å; L496-R521 WeakPolarHBondContact O-CA 3.49Å; L496-R522 PolarHBondContact O-N 3.15Å
497	A	97.9	Very high	94.2	Very high	24 Å²	24	39.3 Å²	39.3	20%	0.198	22%	0.224	C	C	.	.			trans	-95.9	-8.9	162.6	0	0	0	0	0	112.2	N517 M518 R521	A497-N517 HydrophobicContact CB-CB 4.47Å; A497-N517 WeakPolarHBondContact O-CA 3.31Å; A497-M518 HydrophobicContact CB-CB 4.46Å; A497-M518 PolarHBondContact O-N 3.49Å; A497-R521 HydrophobicContact CB-CB 4.12Å
498	T	98.3	Very high	93.3	Very high	42 Å²	42	48 Å²	48	26%	0.258	26%	0.264	S	S	.	.			trans	-74.1	148	-174.2	60.8	0	0	0	0	111.4	R472 G488 N517	R472-T498 PolarHBondContact NH1-O 3.03Å; R472-T498 PolarHBondContact NH1-OG1 2.8Å; R472-T498 PolarHBondContact NH2-OG1 3.19Å; G488-T498 PolarHBondContact N-O 3.31Å; G488-T498 VanDerWaalsContact N-O 3.12Å; T498-N517 WeakPolarHBondContact CA-OD1 3.29Å
499	V	98.3	Very high	92.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.9	177	-175.2	0	0	0	0	108.9	Y485 A486 V487 I515 M518 W559	Y485-V499 HydrophobicContact CD1-CG1 4.42Å; A486-V499 WeakPolarHBondContact O-CA 3.4Å; A486-V499 WeakPolarHBondContact O-CG1 3.5Å; V487-V499 HydrophobicContact CB-CG2 4.47Å; V487-V499 HydrophobicContact CG1-CG2 4.02Å; V487-V499 HydrophobicContact CG2-CG1 3.93Å; V499-I515 HydrophobicContact CB-CD1 3.98Å; V499-I515 HydrophobicContact CB-CG1 3.69Å; V499-I515 HydrophobicContact CG1-CD1 3.59Å; V499-I515 HydrophobicContact CG1-CG1 3.8Å; V499-I515 WeakPolarHBondContact O-CG1 3.27Å; V499-I515 PolarHBondContact O-N 2.85Å; V499-M518 HydrophobicContact CG2-CG 3.97Å; V499-M518 HydrophobicContact CG2-SD 4.47Å; V499-W559 HydrophobicContact CG2-CZ2 3.83Å
500	E	98.1	Very high	91.9	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.014	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.9	178.6	-71	176.5	-108.3	0	0	110.3	S469 T470 R472 Y485 A486 W512 T513	S469-E500 VanDerWaalsContact CB-OE2 3.3Å; S469-E500 WeakPolarHBondContact CB-OE2 3.39Å; S469-E500 PolarHBondContact N-OE2 3.08Å; S469-E500 PolarHBondContact OG-OE2 2.87Å; T470-E500 WeakPolarHBondContact CB-OE1 3.3Å; T470-E500 PolarHBondContact N-OE1 2.84Å; T470-E500 PolarHBondContact OG1-OE1 3.31Å; R472-E500 IonicContact CZ-OE1 3.62Å; R472-E500 VanDerWaalsContact CZ-OE1 3.25Å; R472-E500 IonicContact NE-OE1 2.65Å; R472-E500 PolarHBondContact NE-OE1 2.99Å; R472-E500 IonicContact NH2-OE1 3.47Å; R472-E500 PolarHBondContact NH2-OE1 2.79Å; Y485-E500 CarbonylContact C-O 3.43Å; Y485-E500 WeakPolarHBondContact CA-O 3.49Å; A486-E500 PolarHBondContact N-O 3.27Å; A486-E500 PolarHBondContact O-N 2.93Å; E500-W512 HydrophobicContact CB-CB 4.26Å; E500-W512 HydrophobicContact CB-CE3 3.92Å; E500-W512 WeakPolarHBondContact OE2-CB 3.37Å; E500-T513 CarbonylContact C-O 3.47Å; E500-T513 WeakPolarHBondContact CA-O 3.06Å
501	K	97.3	Very high	91.8	Very high	62 Å²	62	54.2 Å²	54.2	27%	0.27	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.7	177.8	-179.9	-171	175.3	-170.7	0	110.1	S483 L484 Y485 W512 T513 I515	S483-K501 WeakPolarHBondContact OG-CE 3.19Å; L484-K501 CarbonylContact O-C 3.52Å; L484-K501 VanDerWaalsContact O-CA 3.27Å; L484-K501 WeakPolarHBondContact O-CA 3.5Å; Y485-K501 HydrophobicContact CD1-CB 4.32Å; Y485-K501 HydrophobicContact CD1-CG 4.5Å; Y485-K501 HydrophobicContact CE1-CB 4.15Å; Y485-K501 HydrophobicContact CE1-CD 4.16Å; Y485-K501 HydrophobicContact CE1-CG 4.04Å; Y485-K501 HydrophobicContact CE2-CG 4.34Å; K501-W512 WeakPolarHBondContact O-CA 3.48Å; K501-T513 PolarHBondContact N-O 2.72Å; K501-T513 PolarHBondContact O-N 3.12Å; K501-T513 PolarHBondContact O-OG1 2.8Å; K501-T513 VanDerWaalsContact O-OG1 3.05Å; K501-I515 HydrophobicContact CB-CG2 3.82Å
502	Y	96.4	Very high	91.8	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.02	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.3	172.6	176.3	-97.7	0	0	0	110.7	Y438 I465 A466 S483 L484 P504 N510 W512	Y438-Y502 HydrophobicContact CE1-CE1 4.48Å; I465-Y502 HydrophobicContact CD1-CD1 4.36Å; I465-Y502 HydrophobicContact CD1-CE1 3.98Å; A466-Y502 HydrophobicContact CB-CD2 4.45Å; A466-Y502 HydrophobicContact CB-CE2 3.86Å; S483-Y502 WeakPolarHBondContact CA-O 3.26Å; S483-Y502 WeakPolarHBondContact CB-O 3.07Å; L484-Y502 HydrophobicContact CD1-CD1 3.89Å; L484-Y502 HydrophobicContact CG-CD1 4.41Å; L484-Y502 PolarHBondContact N-O 2.73Å; L484-Y502 PolarHBondContact O-N 2.75Å; Y502-P504 HydrophobicContact CE1-CB 3.91Å; Y502-N510 PolarHBondContact OH-OD1 3.37Å; Y502-N510 VanDerWaalsContact OH-OD1 3.06Å; Y502-W512 HydrophobicContact CD2-CD2 4.28Å; Y502-W512 HydrophobicContact CD2-CG 4.29Å; Y502-W512 AromaticContact CD2-NE1 3.87Å; Y502-W512 HydrophobicContact CG-CD2 4.23Å; Y502-W512 AromaticContact CG-CE2 3.97Å; Y502-W512 HydrophobicContact CG-CH2 4.49Å; Y502-W512 HydrophobicContact CG-CZ2 4.13Å
503	D	92.4	Very high	91.9	Very high	54 Å²	54	52.6 Å²	52.6	29%	0.289	30%	0.296	S	S	.	.			trans	-103.6	111.1	173.9	-171.1	-14.9	0	0	0	109.3	Q505 D506	D503-Q505 PolarHBondContact O-N 3.23Å; D503-Q505 WeakPolarHBondContact OD1-CB 3.31Å; D503-Q505 PolarHBondContact OD1-N 2.72Å; D503-D506 HydrophobicContact CB-CB 4.24Å; D503-D506 PolarHBondContact O-N 3.38Å
504	P	88	Confident	92	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.019	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.9	178.5	31.1	-37	0	0	0	113.5	L433 Y502	L433-P504 HydrophobicContact CD2-CG 3.59Å; L433-P504 HydrophobicContact CG-CG 4.47Å; Y502-P504 HydrophobicContact CE1-CB 3.91Å
505	Q	84.8	Confident	92.1	Very high	87 Å²	87	51.2 Å²	51.2	41%	0.407	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-24.3	178	-59.7	-171.9	8.4	0	0	112	D503 T507	D503-Q505 PolarHBondContact O-N 3.23Å; D503-Q505 WeakPolarHBondContact OD1-CB 3.31Å; D503-Q505 PolarHBondContact OD1-N 2.72Å; Q505-T507 PolarHBondContact O-N 3.26Å
506	D	83.9	Confident	92.1	Very high	71 Å²	71	50.3 Å²	50.3	38%	0.38	29%	0.289	S	S	.	.			trans	-77.9	71	171.3	-172.4	-1.8	0	0	0	110.3	D503 Q508 S509 N510	D503-D506 HydrophobicContact CB-CB 4.24Å; D503-D506 PolarHBondContact O-N 3.38Å; D506-Q508 PolarHBondContact O-N 2.88Å; D506-Q508 PolarHBondContact OD1-N 3.06Å; D506-S509 WeakPolarHBondContact OD1-CB 3.4Å; D506-S509 PolarHBondContact OD1-N 3.12Å; D506-S509 WeakPolarHBondContact OD2-CB 3.41Å; D506-N510 PolarHBondContact O-N 2.88Å
507	T	75.9	Confident	92.1	Very high	94 Å²	94	54.2 Å²	54.2	58%	0.577	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18	178.6	57.3	0	0	0	0	112.7	E321 Q505	E321-T507 HydrophobicContact CB-CG2 4.04Å; E321-T507 HydrophobicContact CG-CG2 4.19Å; Q505-T507 PolarHBondContact O-N 3.26Å
508	Q	78.3	Confident	92.1	Very high	189 Å²	189	53.5 Å²	53.5	88%	0.883	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-45	179.7	-174	175.1	-8.3	0	0	111.4	D506	D506-Q508 PolarHBondContact O-N 2.88Å; D506-Q508 PolarHBondContact OD1-N 3.06Å
509	S	80.9	Confident	92.1	Very high	52 Å²	52	56.8 Å²	56.8	36%	0.364	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-47.9	174.4	-174.7	0	0	0	0	111	D506 T511	D506-S509 WeakPolarHBondContact OD1-CB 3.4Å; D506-S509 PolarHBondContact OD1-N 3.12Å; D506-S509 WeakPolarHBondContact OD2-CB 3.41Å; S509-T511 WeakPolarHBondContact O-CG2 3.35Å; S509-T511 PolarHBondContact O-N 3.02Å; S509-T511 PolarHBondContact OG-OG1 3.2Å
510	N	86.6	Confident	91.9	Very high	76 Å²	76	59 Å²	59	41%	0.406	33%	0.333	S	S	.	.			trans	41.3	51.3	-173.8	-173.1	30.9	0	0	0	111.5	A466 Y502 D506	A466-N510 WeakPolarHBondContact CB-O 3.31Å; Y502-N510 PolarHBondContact OH-OD1 3.37Å; Y502-N510 VanDerWaalsContact OH-OD1 3.06Å; D506-N510 PolarHBondContact O-N 2.88Å
511	T	93.7	Very high	91.9	Very high	70 Å²	70	64.6 Å²	64.6	43%	0.429	36%	0.355	S	S	.	.			trans	-134.7	159.7	-179.6	63.1	0	0	0	0	111.9	S509	S509-T511 WeakPolarHBondContact O-CG2 3.35Å; S509-T511 PolarHBondContact O-N 3.02Å; S509-T511 PolarHBondContact OG-OG1 3.2Å
512	W	96.9	Very high	91.9	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.038	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.7	168.6	-67.4	77.4	0	0	0	109.4	A440 A452 I465 A466 A467 M468 L484 A486 E500 K501 Y502	A440-W512 HydrophobicContact CB-CH2 4.36Å; A440-W512 HydrophobicContact CB-CZ2 4.45Å; A452-W512 HydrophobicContact CB-CZ2 4.2Å; I465-W512 HydrophobicContact CD1-CZ2 4.2Å; A466-W512 PolarHBondContact O-NE1 2.85Å; A467-W512 VanDerWaalsContact C-CD1 3.42Å; A467-W512 VanDerWaalsContact O-CD1 3.22Å; M468-W512 HydrophobicContact CB-CD2 4.42Å; M468-W512 HydrophobicContact CB-CG 4.31Å; M468-W512 HydrophobicContact CG-CD2 3.46Å; M468-W512 VanDerWaalsContact CG-CD2 3.46Å; M468-W512 HydrophobicContact CG-CE3 3.84Å; M468-W512 HydrophobicContact CG-CG 3.84Å; M468-W512 HydrophobicContact CG-CH2 4.33Å; M468-W512 HydrophobicContact CG-CZ2 3.99Å; M468-W512 HydrophobicContact CG-CZ3 4.26Å; M468-W512 HydrophobicContact SD-CE3 4.48Å; M468-W512 HydrophobicContact SD-CH2 4.47Å; M468-W512 HydrophobicContact SD-CZ3 4.43Å; L484-W512 HydrophobicContact CB-CH2 4.25Å; L484-W512 HydrophobicContact CB-CZ3 4.42Å; L484-W512 HydrophobicContact CD1-CH2 4.4Å; A486-W512 HydrophobicContact CB-CE3 4.18Å; A486-W512 HydrophobicContact CB-CH2 4.25Å; A486-W512 HydrophobicContact CB-CZ3 3.59Å; E500-W512 HydrophobicContact CB-CB 4.26Å; E500-W512 HydrophobicContact CB-CE3 3.92Å; E500-W512 WeakPolarHBondContact OE2-CB 3.37Å; K501-W512 WeakPolarHBondContact O-CA 3.48Å; Y502-W512 HydrophobicContact CD2-CD2 4.28Å; Y502-W512 HydrophobicContact CD2-CG 4.29Å; Y502-W512 AromaticContact CD2-NE1 3.87Å; Y502-W512 HydrophobicContact CG-CD2 4.23Å; Y502-W512 AromaticContact CG-CE2 3.97Å; Y502-W512 HydrophobicContact CG-CH2 4.49Å; Y502-W512 HydrophobicContact CG-CZ2 4.13Å
513	T	96.1	Very high	91.9	Very high	63 Å²	63	62 Å²	62	39%	0.387	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.7	-177.9	55.2	0	0	0	0	110.3	E500 K501	E500-T513 CarbonylContact C-O 3.47Å; E500-T513 WeakPolarHBondContact CA-O 3.06Å; K501-T513 PolarHBondContact N-O 2.72Å; K501-T513 PolarHBondContact O-N 3.12Å; K501-T513 PolarHBondContact O-OG1 2.8Å; K501-T513 VanDerWaalsContact O-OG1 3.05Å
514	A	96.9	Very high	92.1	Very high	87 Å²	87	59.7 Å²	59.7	72%	0.719	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	137.1	176.2	0	0	0	0	0	110.6
515	I	96.9	Very high	92.6	Very high	27 Å²	27	59.9 Å²	59.9	14%	0.138	33%	0.334	C	S	.	.			trans	-118.2	-174.6	174.4	66.7	167.1	0	0	0	110.7	Y485 V499 K501 N517 F552	Y485-I515 HydrophobicContact CD1-CD1 3.62Å; Y485-I515 HydrophobicContact CE1-CD1 3.66Å; V499-I515 HydrophobicContact CB-CD1 3.98Å; V499-I515 HydrophobicContact CB-CG1 3.69Å; V499-I515 HydrophobicContact CG1-CD1 3.59Å; V499-I515 HydrophobicContact CG1-CG1 3.8Å; V499-I515 WeakPolarHBondContact O-CG1 3.27Å; V499-I515 PolarHBondContact O-N 2.85Å; K501-I515 HydrophobicContact CB-CG2 3.82Å; I515-N517 PolarHBondContact O-N 2.84Å; I515-F552 HydrophobicContact CD1-CE1 3.97Å; I515-F552 HydrophobicContact CD1-CE2 4.14Å; I515-F552 HydrophobicContact CD1-CZ 3.73Å
516	A	97.4	Very high	93.2	Very high	26 Å²	26	55.8 Å²	55.8	22%	0.215	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-54.8	135.5	177.9	0	0	0	0	0	111.9	F552 N557 W559	A516-F552 HydrophobicContact CB-CE2 4.36Å; A516-N557 WeakPolarHBondContact CB-O 3.41Å; A516-N557 PolarHBondContact N-OD1 3.25Å; A516-W559 PolarHBondContact O-NE1 3.04Å
517	N	98.2	Very high	93.9	Very high	93 Å²	93	53 Å²	53	50%	0.497	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-72	146.7	177.1	-65.9	-21	0	0	0	110.8	A497 T498 I515 W559	A497-N517 HydrophobicContact CB-CB 4.47Å; A497-N517 WeakPolarHBondContact O-CA 3.31Å; T498-N517 WeakPolarHBondContact CA-OD1 3.29Å; I515-N517 PolarHBondContact O-N 2.84Å; N517-W559 PolarHBondContact O-NE1 2.88Å
518	M	98.1	Very high	95	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.049	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-59.2	156	169	-67.8	-177.4	-63.4	0	0	111.2	V487 A497 V499 S520 R522 V536 W559	V487-M518 HydrophobicContact CG1-CE 3.97Å; V487-M518 HydrophobicContact CG1-SD 3.46Å; V487-M518 WeakPolarHBondContact CG1-SD 3.2Å; A497-M518 HydrophobicContact CB-CB 4.46Å; A497-M518 PolarHBondContact O-N 3.49Å; V499-M518 HydrophobicContact CG2-CG 3.97Å; V499-M518 HydrophobicContact CG2-SD 4.47Å; M518-S520 WeakPolarHBondContact CB-O 3.25Å; M518-S520 PolarHBondContact O-N 2.92Å; M518-R522 HydrophobicContact CE-CB 4.21Å; M518-R522 HydrophobicContact CE-CG 4.48Å; M518-V536 HydrophobicContact SD-CB 4.27Å; M518-V536 HydrophobicContact SD-CG1 3.9Å; M518-V536 HydrophobicContact SD-CG2 4.04Å; M518-W559 HydrophobicContact CB-CD2 4.49Å; M518-W559 HydrophobicContact CG-CD2 4.02Å; M518-W559 HydrophobicContact CG-CE3 4.11Å; M518-W559 HydrophobicContact CG-CH2 3.73Å; M518-W559 HydrophobicContact CG-CZ2 3.62Å; M518-W559 HydrophobicContact CG-CZ3 3.97Å; M518-W559 HydrophobicContact SD-CH2 4.26Å
519	L	97.8	Very high	95.9	Very high	111 Å²	111	41.9 Å²	41.9	58%	0.581	25%	0.246	S	C	*	.	S	Bend	trans	-66	-27.8	175	-57.3	177	0	0	0	111.8	E550 W559	L519-E550 VanDerWaalsContact CB-OE2 3.29Å; L519-E550 WeakPolarHBondContact CB-OE2 3.46Å; L519-E550 WeakPolarHBondContact CG-OE2 3.34Å; L519-E550 PolarHBondContact N-OE2 3.28Å; L519-W559 HydrophobicContact CD2-CB 4.29Å; L519-W559 HydrophobicContact CG-CB 4.01Å
520	S	96.1	Very high	96.7	Very high	46 Å²	46	40 Å²	40	32%	0.322	23%	0.232	S	C	.	.	S	Bend	trans	-130.9	144.9	176.9	-61.7	0	0	0	0	111.1	M518	M518-S520 WeakPolarHBondContact CB-O 3.25Å; M518-S520 PolarHBondContact O-N 2.92Å
521	R	97.5	Very high	97.1	Very high	121 Å²	121	42.1 Å²	42.1	46%	0.457	24%	0.243	S	C	.	.			trans	-72	135.6	170.2	65.4	-169.4	-176.8	-125.1	-7.6	110.1	H495 L496 A497 D541	H495-R521 HydrophobicContact CB-CB 4.25Å; H495-R521 HydrophobicContact CB-CG 4.06Å; H495-R521 WeakPolarHBondContact O-CB 3.44Å; L496-R521 WeakPolarHBondContact O-CA 3.49Å; A497-R521 HydrophobicContact CB-CB 4.12Å; R521-D541 HydrophobicContact CG-CB 3.94Å; R521-D541 PolarHBondContact NE-O 2.82Å; R521-D541 PolarHBondContact NH2-O 2.88Å; R521-D541 WeakPolarHBondContact O-CA 3.49Å; R521-D541 VanDerWaalsContact O-CB 3.32Å; R521-D541 WeakPolarHBondContact O-CB 3.3Å
522	R	97.1	Very high	97.2	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.015	24%	0.24	C	C	.	.			trans	-145.1	130.2	-174.2	-59.1	175.9	-171.5	-76.7	-9.3	110.8	G489 L496 M518 A525 G538 L546 S548 E550	G489-R522 PolarHBondContact N-O 3.4Å; L496-R522 PolarHBondContact O-N 3.15Å; M518-R522 HydrophobicContact CE-CB 4.21Å; M518-R522 HydrophobicContact CE-CG 4.48Å; R522-A525 HydrophobicContact CB-CB 4.15Å; R522-G538 WeakPolarHBondContact CD-O 3.47Å; R522-G538 PolarHBondContact NH1-O 3.38Å; R522-L546 HydrophobicContact CG-CD1 4.09Å; R522-S548 VanDerWaalsContact CZ-OG 3.29Å; R522-S548 PolarHBondContact NH1-O 2.92Å; R522-S548 PolarHBondContact NH1-OG 3.14Å; R522-S548 PolarHBondContact NH2-OG 3.16Å; R522-E550 IonicContact CZ-OE1 2.72Å; R522-E550 IonicContact NE-OE1 3.98Å; R522-E550 PolarHBondContact NE-OE1 3.14Å; R522-E550 IonicContact NH2-OE1 3.27Å; R522-E550 PolarHBondContact NH2-OE1 2.96Å
523	S	97.3	Very high	97.3	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.049	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-113.9	153	159.1	69.3	0	0	0	0	109.9	H495 A525 G539 N540	H495-S523 PolarHBondContact CE1-OG 2.85Å; H495-S523 PolarHBondContact ND1-OG 3.18Å; S523-A525 PolarHBondContact O-N 3.3Å; S523-A525 VanDerWaalsContact O-N 3.12Å; S523-G539 CarbonylContact O-C 3.55Å; S523-G539 WeakPolarHBondContact O-CA 3.49Å; S523-N540 PolarHBondContact N-O 2.73Å; S523-N540 PolarHBondContact O-N 3.5Å; S523-N540 PolarHBondContact OG-O 2.75Å
524	S	96.1	Very high	97.4	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.049	23%	0.225	C	C	.	.	S	Bend	trans	55.7	32.2	178	-44.7	0	0	0	0	114	Y474 T571	Y474-S524 VanDerWaalsContact CB-OG 3.28Å; Y474-S524 WeakPolarHBondContact CB-OG 3.3Å; Y474-S524 WeakPolarHBondContact CD1-OG 3.5Å; Y474-S524 PolarHBondContact O-N 2.94Å; Y474-S524 VanDerWaalsContact O-N 3.09Å; S524-T571 PolarHBondContact O-N 3.2Å
525	A	97.5	Very high	97.4	Very high	7 Å²	7	34.1 Å²	34.1	6%	0.058	19%	0.192	C	C	.	.			trans	-74.5	166.4	172	0	0	0	0	0	110.9	R476 R522 S523 V536 A537	R476-A525 WeakPolarHBondContact CG-O 3.37Å; R476-A525 PolarHBondContact NE-O 3.08Å; R522-A525 HydrophobicContact CB-CB 4.15Å; S523-A525 PolarHBondContact O-N 3.3Å; S523-A525 VanDerWaalsContact O-N 3.12Å; A525-V536 HydrophobicContact CB-CG1 3.78Å; A525-A537 WeakPolarHBondContact CB-O 3.05Å
526	G	98.1	Very high	97.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.9	164.1	0	0	0	0	0	109.8	V536 A537 H572 L574	G526-V536 WeakPolarHBondContact O-CA 3.43Å; G526-A537 PolarHBondContact N-O 3.24Å; G526-A537 PolarHBondContact O-N 3.22Å; G526-H572 PolarHBondContact N-CE1 2.95Å; G526-H572 PolarHBondContact N-NE2 2.83Å; G526-L574 VanDerWaalsContact C-CB 3.49Å
527	V	98.4	Very high	97.6	Very high	13 Å²	13	31.6 Å²	31.6	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.2	-179.7	-179.4	0	0	0	0	110.5	R476 A478 V487 L534 Y535 V536	R476-V527 HydrophobicContact CB-CB 3.71Å; R476-V527 HydrophobicContact CB-CG2 3.44Å; R476-V527 VanDerWaalsContact CB-CG2 3.44Å; R476-V527 HydrophobicContact CG-CB 4.28Å; R476-V527 HydrophobicContact CG-CG2 3.87Å; A478-V527 HydrophobicContact CB-CG1 3.73Å; V487-V527 HydrophobicContact CB-CG2 4.18Å; V487-V527 HydrophobicContact CG1-CG2 4.21Å; V487-V527 HydrophobicContact CG2-CG1 4.18Å; V527-L534 HydrophobicContact CG1-CD1 3.46Å; V527-L534 VanDerWaalsContact CG1-CD1 3.46Å; V527-L534 HydrophobicContact CG1-CG 4.22Å; V527-Y535 VanDerWaalsContact CA-O 3.29Å; V527-Y535 WeakPolarHBondContact CA-O 3.39Å; V527-V536 HydrophobicContact CG1-CG2 4.47Å; V527-V536 HydrophobicContact CG2-CB 4.44Å; V527-V536 HydrophobicContact CG2-CG1 4.09Å; V527-V536 HydrophobicContact CG2-CG2 4.03Å
528	A	98.2	Very high	97.6	Very high	7 Å²	7	27.1 Å²	27.1	6%	0.058	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158.3	179.7	0	0	0	0	0	110.9	Y535 L574 L581	A528-Y535 PolarHBondContact N-O 3.45Å; A528-Y535 VanDerWaalsContact N-O 3.08Å; A528-Y535 PolarHBondContact O-N 3.45Å; A528-L574 HydrophobicContact CB-CB 4.23Å; A528-L574 HydrophobicContact CB-CD2 3.82Å; A528-L574 HydrophobicContact CB-CG 3.7Å; A528-L581 HydrophobicContact CB-CD2 3.9Å
529	V	98.3	Very high	97.6	Very high	42 Å²	42	26.7 Å²	26.7	26%	0.255	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.6	176.7	174.2	0	0	0	0	109.3	A478 T479 L480 M533 L534 A576	A478-V529 HydrophobicContact CB-CG2 4.1Å; T479-V529 WeakPolarHBondContact O-CG2 3.25Å; L480-V529 HydrophobicContact CB-CG1 4.44Å; L480-V529 HydrophobicContact CB-CG2 4.1Å; L480-V529 HydrophobicContact CD1-CG1 3.76Å; V529-M533 WeakPolarHBondContact CA-O 3.08Å; V529-L534 HydrophobicContact CG2-CB 4.47Å; V529-L534 HydrophobicContact CG2-CD1 3.67Å; V529-A576 WeakPolarHBondContact O-CB 3.47Å
530	L	97.6	Very high	97.5	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.068	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.1	178.3	178	64.9	0	0	0	109.3	G532 M533 Y535 A576 L581 P601	L530-G532 PolarHBondContact O-N 3.23Å; L530-M533 PolarHBondContact N-O 3.33Å; L530-M533 PolarHBondContact O-N 3.05Å; L530-Y535 HydrophobicContact CB-CD2 4.14Å; L530-Y535 HydrophobicContact CB-CE2 3.91Å; L530-A576 HydrophobicContact CB-CB 4.22Å; L530-A576 HydrophobicContact CD1-CB 4.37Å; L530-L581 HydrophobicContact CB-CD2 3.6Å; L530-L581 HydrophobicContact CB-CG 4.39Å; L530-L581 HydrophobicContact CD2-CD1 4.49Å; L530-L581 HydrophobicContact CD2-CD2 3.73Å; L530-L581 HydrophobicContact CD2-CG 3.69Å; L530-L581 HydrophobicContact CG-CD2 4.27Å; L530-P601 HydrophobicContact CD2-CB 4.41Å; L530-P601 HydrophobicContact CD2-CG 3.83Å
531	D	95.4	Very high	97.5	Very high	121 Å²	121	23 Å²	23	65%	0.647	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.2	179.2	-57.8	-28.3	0	0	0	114.1	M533	D531-M533 VanDerWaalsContact C-N 3.28Å; D531-M533 PolarHBondContact O-N 3.5Å
532	G	95.9	Very high	97.3	Very high	35 Å²	35	19.3 Å²	19.3	36%	0.361	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	14.5	179.4	0	0	0	0	0	114.7	L530 P554	L530-G532 PolarHBondContact O-N 3.23Å; G532-P554 WeakPolarHBondContact O-CD 2.93Å
533	M	97.7	Very high	97.2	Very high	24 Å²	24	24.3 Å²	24.3	12%	0.118	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.3	-179.5	-55	-73.9	-75.2	0	0	109.7	V529 L530 D531 Y535 R551 N553	V529-M533 WeakPolarHBondContact CA-O 3.08Å; L530-M533 PolarHBondContact N-O 3.33Å; L530-M533 PolarHBondContact O-N 3.05Å; D531-M533 VanDerWaalsContact C-N 3.28Å; D531-M533 PolarHBondContact O-N 3.5Å; M533-Y535 HydrophobicContact CB-CD2 4.38Å; M533-Y535 HydrophobicContact CB-CE2 3.79Å; M533-R551 HydrophobicContact CE-CG 4.11Å; M533-N553 HydrophobicContact CE-CB 3.46Å; M533-N553 VanDerWaalsContact CE-CB 3.46Å; M533-N553 HydrophobicContact SD-CB 3.85Å
534	L	98.3	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.1	178.6	175.3	75.9	0	0	0	109.6	A478 L480 Y485 V487 V527 V529 R551 F552 W559	A478-L534 HydrophobicContact CB-CD1 3.54Å; L480-L534 HydrophobicContact CD2-CB 4.01Å; Y485-L534 HydrophobicContact CD1-CD2 4.24Å; Y485-L534 HydrophobicContact CG-CD2 4.22Å; V487-L534 HydrophobicContact CG2-CD2 3.91Å; V527-L534 HydrophobicContact CG1-CD1 3.46Å; V527-L534 VanDerWaalsContact CG1-CD1 3.46Å; V527-L534 HydrophobicContact CG1-CG 4.22Å; V529-L534 HydrophobicContact CG2-CB 4.47Å; V529-L534 HydrophobicContact CG2-CD1 3.67Å; L534-R551 CarbonylContact O-C 3.5Å; L534-R551 WeakPolarHBondContact O-CA 3.37Å; L534-F552 HydrophobicContact CB-CB 4.14Å; L534-F552 HydrophobicContact CB-CD1 4.34Å; L534-F552 HydrophobicContact CD2-CB 4.45Å; L534-F552 HydrophobicContact CD2-CD1 4.41Å; L534-F552 PolarHBondContact N-O 3.39Å; L534-F552 VanDerWaalsContact N-O 3.12Å; L534-F552 PolarHBondContact O-N 3.47Å; L534-W559 HydrophobicContact CD2-CH2 4.05Å
535	Y	98.6	Very high	97.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139.9	179.7	-70.5	-100.4	0	0	0	111.1	V527 A528 L530 M533 R551 V562 L581 Y599	V527-Y535 VanDerWaalsContact CA-O 3.29Å; V527-Y535 WeakPolarHBondContact CA-O 3.39Å; A528-Y535 PolarHBondContact N-O 3.45Å; A528-Y535 VanDerWaalsContact N-O 3.08Å; A528-Y535 PolarHBondContact O-N 3.45Å; L530-Y535 HydrophobicContact CB-CD2 4.14Å; L530-Y535 HydrophobicContact CB-CE2 3.91Å; M533-Y535 HydrophobicContact CB-CD2 4.38Å; M533-Y535 HydrophobicContact CB-CE2 3.79Å; Y535-R551 HydrophobicContact CD1-CB 3.62Å; Y535-R551 HydrophobicContact CD2-CB 4.38Å; Y535-R551 HydrophobicContact CE1-CB 3.69Å; Y535-R551 HydrophobicContact CE1-CG 4.2Å; Y535-R551 HydrophobicContact CE2-CB 4.44Å; Y535-R551 HydrophobicContact CG-CB 3.99Å; Y535-R551 WeakPolarHBondContact OH-CD 3.45Å; Y535-R551 PolarHBondContact OH-NH1 3.33Å; Y535-V562 HydrophobicContact CD1-CG2 4.45Å; Y535-V562 HydrophobicContact CE1-CG2 4.45Å; Y535-L581 HydrophobicContact CD1-CD1 3.57Å; Y535-L581 HydrophobicContact CD2-CD1 3.92Å; Y535-L581 HydrophobicContact CE1-CD1 4.15Å; Y535-L581 HydrophobicContact CE2-CD1 4.45Å; Y535-L581 HydrophobicContact CG-CD1 3.45Å; Y535-L581 VanDerWaalsContact CG-CD1 3.45Å; Y535-Y599 AromaticContact CE1-CE1 3.95Å; Y535-Y599 HydrophobicContact CE1-CE1 3.95Å
536	V	98.6	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.9	175.5	-173.8	0	0	0	0	108.6	V487 M518 A525 G526 V527 V549 E550 W559	V487-V536 HydrophobicContact CG1-CG1 4.38Å; V487-V536 HydrophobicContact CG1-CG2 3.72Å; M518-V536 HydrophobicContact SD-CB 4.27Å; M518-V536 HydrophobicContact SD-CG1 3.9Å; M518-V536 HydrophobicContact SD-CG2 4.04Å; A525-V536 HydrophobicContact CB-CG1 3.78Å; G526-V536 WeakPolarHBondContact O-CA 3.43Å; V527-V536 HydrophobicContact CG1-CG2 4.47Å; V527-V536 HydrophobicContact CG2-CB 4.44Å; V527-V536 HydrophobicContact CG2-CG1 4.09Å; V527-V536 HydrophobicContact CG2-CG2 4.03Å; V536-V549 WeakPolarHBondContact O-CA 3.19Å; V536-V549 WeakPolarHBondContact O-CG1 3.29Å; V536-E550 HydrophobicContact CB-CG 4.2Å; V536-E550 PolarHBondContact N-O 2.99Å; V536-E550 PolarHBondContact O-N 3.11Å; V536-W559 HydrophobicContact CB-CZ3 4.24Å; V536-W559 HydrophobicContact CG2-CH2 3.54Å; V536-W559 HydrophobicContact CG2-CZ3 3.5Å
537	A	98.5	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.8	-176.9	0	0	0	0	0	111.3	A525 G526 V549 M565 H572 L574	A525-A537 WeakPolarHBondContact CB-O 3.05Å; G526-A537 PolarHBondContact N-O 3.24Å; G526-A537 PolarHBondContact O-N 3.22Å; A537-V549 HydrophobicContact CB-CG1 4.08Å; A537-V549 HydrophobicContact CB-CG2 3.89Å; A537-M565 HydrophobicContact CB-CE 4.06Å; A537-M565 HydrophobicContact CB-SD 3.97Å; A537-H572 PolarHBondContact O-CE1 3.14Å; A537-H572 PolarHBondContact O-NE2 3.23Å; A537-L574 HydrophobicContact CB-CD1 4.3Å; A537-L574 HydrophobicContact CB-CD2 3.95Å
538	G	98.3	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.199	C	C	.	.			trans	59.3	-137.5	172.1	0	0	0	0	0	114.3	R522 L546 S548	R522-G538 WeakPolarHBondContact CD-O 3.47Å; R522-G538 PolarHBondContact NH1-O 3.38Å; G538-L546 VanDerWaalsContact CA-O 3.28Å; G538-L546 WeakPolarHBondContact CA-O 3.31Å; G538-S548 PolarHBondContact N-O 3.04Å
539	G	97.8	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.198	C	C	.	.			trans	93.2	-167.5	-172.5	0	0	0	0	0	112.9	S523 L546 R569	S523-G539 CarbonylContact O-C 3.55Å; S523-G539 WeakPolarHBondContact O-CA 3.49Å; G539-L546 PolarHBondContact O-N 3.44Å; G539-R569 PolarHBondContact N-O 3.43Å
540	N	96.7	Very high	97.1	Very high	52 Å²	52	29.1 Å²	29.1	28%	0.278	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-126.1	128.8	177.4	-172.7	-22.8	0	0	0	109.6	H495 S523 G542 S544	H495-N540 PolarHBondContact ND1-O 3.35Å; S523-N540 PolarHBondContact N-O 2.73Å; S523-N540 PolarHBondContact O-N 3.5Å; S523-N540 PolarHBondContact OG-O 2.75Å; N540-G542 VanDerWaalsContact C-N 3.35Å; N540-G542 WeakPolarHBondContact OD1-CA 3.46Å; N540-G542 PolarHBondContact OD1-N 3.5Å; N540-S544 PolarHBondContact OD1-O 2.88Å
541	D	96.2	Very high	97.1	Very high	28 Å²	28	31.6 Å²	31.6	15%	0.15	19%	0.194	C	C	.	.			trans	-91.4	7.1	178.6	65.9	7	0	0	0	113.9	R521 T543 S544 L546	R521-D541 HydrophobicContact CG-CB 3.94Å; R521-D541 PolarHBondContact NE-O 2.82Å; R521-D541 PolarHBondContact NH2-O 2.88Å; R521-D541 WeakPolarHBondContact O-CA 3.49Å; R521-D541 VanDerWaalsContact O-CB 3.32Å; R521-D541 WeakPolarHBondContact O-CB 3.3Å; D541-T543 VanDerWaalsContact C-N 3.32Å; D541-T543 VanDerWaalsContact CG-OG1 3.29Å; D541-T543 WeakPolarHBondContact OD1-CA 3.47Å; D541-T543 PolarHBondContact OD1-N 2.88Å; D541-T543 PolarHBondContact OD1-OG1 2.92Å; D541-T543 PolarHBondContact OD2-OG1 3.04Å; D541-S544 PolarHBondContact N-O 2.73Å; D541-S544 PolarHBondContact OD1-N 2.82Å; D541-L546 HydrophobicContact CB-CD1 4.12Å; D541-L546 HydrophobicContact CB-CD2 4.46Å; D541-L546 HydrophobicContact CB-CG 4.47Å
542	G	93.7	Very high	97.3	Very high	44 Å²	44	26 Å²	26	45%	0.454	16%	0.164	S	C	.	.	S	Bend	trans	90.3	-10.1	-174.8	0	0	0	0	0	113.9	H495 N540	H495-G542 PolarHBondContact CE1-N 3.14Å; H495-G542 PolarHBondContact ND1-N 3.25Å; H495-G542 VanDerWaalsContact NE2-CA 3.27Å; H495-G542 WeakPolarHBondContact NE2-CA 3.32Å; N540-G542 VanDerWaalsContact C-N 3.35Å; N540-G542 WeakPolarHBondContact OD1-CA 3.46Å; N540-G542 PolarHBondContact OD1-N 3.5Å
543	T	93.5	Very high	97.3	Very high	109 Å²	109	26.2 Å²	26.2	67%	0.669	16%	0.157	S	C	*	.	S	Bend	trans	-118.1	-40.4	176	62.6	0	0	0	0	112.4	D541	D541-T543 VanDerWaalsContact C-N 3.32Å; D541-T543 VanDerWaalsContact CG-OG1 3.29Å; D541-T543 WeakPolarHBondContact OD1-CA 3.47Å; D541-T543 PolarHBondContact OD1-N 2.88Å; D541-T543 PolarHBondContact OD1-OG1 2.92Å; D541-T543 PolarHBondContact OD2-OG1 3.04Å
544	S	94.4	Very high	97.3	Very high	55 Å²	55	26.6 Å²	26.6	39%	0.385	16%	0.161	S	C	.	.	S	Bend	trans	-146.6	154.9	-174	69.6	0	0	0	0	112.4	N540 D541	N540-S544 PolarHBondContact OD1-O 2.88Å; D541-S544 PolarHBondContact N-O 2.73Å; D541-S544 PolarHBondContact OD1-N 2.82Å
545	C	96.8	Very high	97.1	Very high	13 Å²	13	35.7 Å²	35.7	9%	0.088	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-74.2	128.7	167.7	-170.5	0	0	0	0	108.9	R568 R569 S570 N587	C545-R568 HydrophobicContact CB-CB 4.21Å; C545-R568 WeakPolarHBondContact O-CD 3.23Å; C545-R568 WeakPolarHBondContact O-CG 3.46Å; C545-R569 PolarHBondContact SG-N 3.1Å; C545-S570 PolarHBondContact SG-N 2.67Å; C545-N587 PolarHBondContact SG-O 3.13Å
546	L	97.9	Very high	97	Very high	20 Å²	20	39.4 Å²	39.4	11%	0.105	22%	0.224	C	C	.	.			trans	-96	149.4	-173.1	-58.5	179.6	0	0	0	112	R522 G538 G539 D541 R568 R569	R522-L546 HydrophobicContact CG-CD1 4.09Å; G538-L546 VanDerWaalsContact CA-O 3.28Å; G538-L546 WeakPolarHBondContact CA-O 3.31Å; G539-L546 PolarHBondContact O-N 3.44Å; D541-L546 HydrophobicContact CB-CD1 4.12Å; D541-L546 HydrophobicContact CB-CD2 4.46Å; D541-L546 HydrophobicContact CB-CG 4.47Å; L546-R568 WeakPolarHBondContact O-CA 3.25Å; L546-R569 PolarHBondContact O-N 3.27Å
547	N	98.1	Very high	96.9	Very high	54 Å²	54	43 Å²	43	29%	0.289	24%	0.243	S	C	.	.			trans	-115.4	-7.5	163.3	69.1	-28.4	0	0	0	112.7	P564 M565 R568	N547-P564 CarbonylContact O-C 3.49Å; N547-P564 WeakPolarHBondContact O-CA 3.32Å; N547-P564 WeakPolarHBondContact O-CB 3.48Å; N547-M565 HydrophobicContact CB-CB 4.23Å; N547-M565 WeakPolarHBondContact CB-O 3.42Å; N547-M565 PolarHBondContact ND2-O 3.46Å; N547-M565 PolarHBondContact O-N 2.92Å; N547-R568 HydrophobicContact CB-CB 4.43Å; N547-R568 HydrophobicContact CB-CG 3.86Å
548	S	98.4	Very high	96.9	Very high	36 Å²	36	46.7 Å²	46.7	25%	0.252	27%	0.265	S	S	.	.			trans	-58.7	147.6	175.9	62.8	0	0	0	0	111.2	R522 G538	R522-S548 VanDerWaalsContact CZ-OG 3.29Å; R522-S548 PolarHBondContact NH1-O 2.92Å; R522-S548 PolarHBondContact NH1-OG 3.14Å; R522-S548 PolarHBondContact NH2-OG 3.16Å; G538-S548 PolarHBondContact N-O 3.04Å
549	V	98.6	Very high	96.9	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.024	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.7	177.4	-173.1	0	0	0	0	108.3	V536 A537 V562 M565 W606	V536-V549 WeakPolarHBondContact O-CA 3.19Å; V536-V549 WeakPolarHBondContact O-CG1 3.29Å; A537-V549 HydrophobicContact CB-CG1 4.08Å; A537-V549 HydrophobicContact CB-CG2 3.89Å; V549-V562 HydrophobicContact CB-CG2 3.64Å; V549-V562 HydrophobicContact CG1-CG2 3.44Å; V549-V562 VanDerWaalsContact CG1-CG2 3.44Å; V549-V562 PolarHBondContact O-N 3.09Å; V549-M565 HydrophobicContact CG2-CG 3.93Å; V549-W606 HydrophobicContact CG1-CZ2 4.37Å; V549-W606 HydrophobicContact CG2-CZ2 3.81Å
550	E	98.4	Very high	96.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.5	175.5	59	-169.6	123.4	0	0	110.1	L519 R522 V536 W559 E560	L519-E550 VanDerWaalsContact CB-OE2 3.29Å; L519-E550 WeakPolarHBondContact CB-OE2 3.46Å; L519-E550 WeakPolarHBondContact CG-OE2 3.34Å; L519-E550 PolarHBondContact N-OE2 3.28Å; R522-E550 IonicContact CZ-OE1 2.72Å; R522-E550 IonicContact NE-OE1 3.98Å; R522-E550 PolarHBondContact NE-OE1 3.14Å; R522-E550 IonicContact NH2-OE1 3.27Å; R522-E550 PolarHBondContact NH2-OE1 2.96Å; V536-E550 HydrophobicContact CB-CG 4.2Å; V536-E550 PolarHBondContact N-O 2.99Å; V536-E550 PolarHBondContact O-N 3.11Å; E550-W559 HydrophobicContact CB-CE3 4.21Å; E550-W559 HydrophobicContact CG-CE3 3.75Å; E550-W559 HydrophobicContact CG-CZ3 3.99Å; E550-E560 CarbonylContact C-O 3.55Å; E550-E560 VanDerWaalsContact CA-O 3.24Å; E550-E560 WeakPolarHBondContact CA-O 3.36Å
551	R	98.1	Very high	97	Very high	65 Å²	65	51.8 Å²	51.8	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.8	175.9	73.9	179.2	-176.6	-168.4	-2.9	111.5	M533 L534 Y535 W559 E560 V562	M533-R551 HydrophobicContact CE-CG 4.11Å; L534-R551 CarbonylContact O-C 3.5Å; L534-R551 WeakPolarHBondContact O-CA 3.37Å; Y535-R551 HydrophobicContact CD1-CB 3.62Å; Y535-R551 HydrophobicContact CD2-CB 4.38Å; Y535-R551 HydrophobicContact CE1-CB 3.69Å; Y535-R551 HydrophobicContact CE1-CG 4.2Å; Y535-R551 HydrophobicContact CE2-CB 4.44Å; Y535-R551 HydrophobicContact CG-CB 3.99Å; Y535-R551 WeakPolarHBondContact OH-CD 3.45Å; Y535-R551 PolarHBondContact OH-NH1 3.33Å; R551-W559 WeakPolarHBondContact O-CA 3.39Å; R551-E560 HydrophobicContact CG-CG 3.7Å; R551-E560 IonicContact CZ-OE1 3.06Å; R551-E560 PolarHBondContact N-O 3.43Å; R551-E560 IonicContact NE-OE1 2.78Å; R551-E560 PolarHBondContact NE-OE1 3.26Å; R551-E560 IonicContact NH2-OE1 3.36Å; R551-E560 PolarHBondContact NH2-OE1 3.27Å; R551-E560 PolarHBondContact O-N 3.05Å; R551-V562 HydrophobicContact CG-CG1 3.99Å
552	F	98.5	Very high	97	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134	178.9	172.9	-104.8	0	0	0	111.1	Y485 I515 A516 L534 P554 N557 T558 W559	Y485-F552 AromaticContact CE1-CE1 3.89Å; Y485-F552 HydrophobicContact CE1-CE1 3.89Å; I515-F552 HydrophobicContact CD1-CE1 3.97Å; I515-F552 HydrophobicContact CD1-CE2 4.14Å; I515-F552 HydrophobicContact CD1-CZ 3.73Å; A516-F552 HydrophobicContact CB-CE2 4.36Å; L534-F552 HydrophobicContact CB-CB 4.14Å; L534-F552 HydrophobicContact CB-CD1 4.34Å; L534-F552 HydrophobicContact CD2-CB 4.45Å; L534-F552 HydrophobicContact CD2-CD1 4.41Å; L534-F552 PolarHBondContact N-O 3.39Å; L534-F552 VanDerWaalsContact N-O 3.12Å; L534-F552 PolarHBondContact O-N 3.47Å; F552-P554 HydrophobicContact CE1-CB 4Å; F552-N557 HydrophobicContact CE2-CB 4.45Å; F552-N557 VanDerWaalsContact CE2-OD1 3.3Å; F552-N557 WeakPolarHBondContact CE2-OD1 3.41Å; F552-N557 WeakPolarHBondContact CZ-OD1 3.42Å; F552-T558 WeakPolarHBondContact CA-O 3.44Å; F552-T558 WeakPolarHBondContact CD2-O 3.4Å; F552-W559 HydrophobicContact CB-CD2 3.72Å; F552-W559 HydrophobicContact CB-CE3 3.72Å; F552-W559 HydrophobicContact CB-CG 4.49Å; F552-W559 HydrophobicContact CB-CH2 3.56Å; F552-W559 HydrophobicContact CB-CZ2 3.56Å; F552-W559 HydrophobicContact CB-CZ3 3.64Å; F552-W559 AromaticContact CD2-CD1 3.88Å; F552-W559 HydrophobicContact CD2-CD2 4.12Å; F552-W559 AromaticContact CD2-CE2 3.66Å; F552-W559 HydrophobicContact CD2-CG 4.23Å; F552-W559 HydrophobicContact CD2-CZ2 4.07Å; F552-W559 AromaticContact CD2-NE1 3.52Å; F552-W559 HydrophobicContact CG-CD2 4.39Å; F552-W559 AromaticContact CG-CE2 3.96Å; F552-W559 HydrophobicContact CG-CH2 4.4Å; F552-W559 AromaticContact CG-CZ2 3.96Å; F552-W559 HydrophobicContact CG-CZ2 3.96Å
553	N	97.3	Very high	97.3	Very high	38 Å²	38	50.2 Å²	50.2	20%	0.203	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.8	173.2	-172.8	-26.2	0	0	0	109.9	M533 K555 T556 N557 T558	M533-N553 HydrophobicContact CE-CB 3.46Å; M533-N553 VanDerWaalsContact CE-CB 3.46Å; M533-N553 HydrophobicContact SD-CB 3.85Å; N553-K555 PolarHBondContact O-N 2.94Å; N553-K555 WeakPolarHBondContact OD1-CB 3.38Å; N553-K555 PolarHBondContact OD1-N 2.93Å; N553-T556 WeakPolarHBondContact CB-OG1 3.38Å; N553-T556 PolarHBondContact O-N 3.39Å; N553-N557 WeakPolarHBondContact O-CA 3.27Å; N553-N557 PolarHBondContact O-N 3.38Å; N553-T558 PolarHBondContact N-O 3.07Å
554	P	95.7	Very high	97.5	Very high	32 Å²	32	48.4 Å²	48.4	21%	0.208	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25	-178.5	28.9	-37.1	0	0	0	113.1	L480 D481 G532 F552	L480-P554 HydrophobicContact CD2-CB 4.12Å; L480-P554 HydrophobicContact CD2-CG 3.85Å; L480-P554 HydrophobicContact CG-CG 4.39Å; D481-P554 WeakPolarHBondContact OD2-CG 3.48Å; G532-P554 WeakPolarHBondContact O-CD 2.93Å; F552-P554 HydrophobicContact CE1-CB 4Å
555	K	95.5	Very high	97.7	Very high	192 Å²	192	45.9 Å²	45.9	84%	0.835	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-33.7	-178.3	-61.5	-179.2	179	176.5	0	112.8	N553	N553-K555 PolarHBondContact O-N 2.94Å; N553-K555 WeakPolarHBondContact OD1-CB 3.38Å; N553-K555 PolarHBondContact OD1-N 2.93Å
556	T	96.3	Very high	97.7	Very high	80 Å²	80	50.3 Å²	50.3	49%	0.491	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-11.1	-179.4	58.2	0	0	0	0	112.4	N553 T558	N553-T556 WeakPolarHBondContact CB-OG1 3.38Å; N553-T556 PolarHBondContact O-N 3.39Å; T556-T558 VanDerWaalsContact C-N 3.29Å; T556-T558 WeakPolarHBondContact O-CG2 3.18Å; T556-T558 PolarHBondContact O-N 2.82Å; T556-T558 PolarHBondContact OG1-OG1 2.89Å
557	N	96.4	Very high	97.7	Very high	76 Å²	76	52.4 Å²	52.4	41%	0.406	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	45.2	-173	-169	35.9	0	0	0	111.9	A516 F552 N553	A516-N557 WeakPolarHBondContact CB-O 3.41Å; A516-N557 PolarHBondContact N-OD1 3.25Å; F552-N557 HydrophobicContact CE2-CB 4.45Å; F552-N557 VanDerWaalsContact CE2-OD1 3.3Å; F552-N557 WeakPolarHBondContact CE2-OD1 3.41Å; F552-N557 WeakPolarHBondContact CZ-OD1 3.42Å; N553-N557 WeakPolarHBondContact O-CA 3.27Å; N553-N557 PolarHBondContact O-N 3.38Å
558	T	97.9	Very high	97.7	Very high	76 Å²	76	56.7 Å²	56.7	47%	0.466	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.4	-179.3	60.2	0	0	0	0	112.3	F552 N553 T556	F552-T558 WeakPolarHBondContact CA-O 3.44Å; F552-T558 WeakPolarHBondContact CD2-O 3.4Å; N553-T558 PolarHBondContact N-O 3.07Å; T556-T558 VanDerWaalsContact C-N 3.29Å; T556-T558 WeakPolarHBondContact O-CG2 3.18Å; T556-T558 PolarHBondContact O-N 2.82Å; T556-T558 PolarHBondContact OG1-OG1 2.89Å
559	W	98.5	Very high	97.6	Very high	22 Å²	22	55 Å²	55	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.6	174.6	-69.3	88.1	0	0	0	110.5	V499 A516 N517 M518 L519 L534 V536 E550 R551 F552	V499-W559 HydrophobicContact CG2-CZ2 3.83Å; A516-W559 PolarHBondContact O-NE1 3.04Å; N517-W559 PolarHBondContact O-NE1 2.88Å; M518-W559 HydrophobicContact CB-CD2 4.49Å; M518-W559 HydrophobicContact CG-CD2 4.02Å; M518-W559 HydrophobicContact CG-CE3 4.11Å; M518-W559 HydrophobicContact CG-CH2 3.73Å; M518-W559 HydrophobicContact CG-CZ2 3.62Å; M518-W559 HydrophobicContact CG-CZ3 3.97Å; M518-W559 HydrophobicContact SD-CH2 4.26Å; L519-W559 HydrophobicContact CD2-CB 4.29Å; L519-W559 HydrophobicContact CG-CB 4.01Å; L534-W559 HydrophobicContact CD2-CH2 4.05Å; V536-W559 HydrophobicContact CB-CZ3 4.24Å; V536-W559 HydrophobicContact CG2-CH2 3.54Å; V536-W559 HydrophobicContact CG2-CZ3 3.5Å; E550-W559 HydrophobicContact CB-CE3 4.21Å; E550-W559 HydrophobicContact CG-CE3 3.75Å; E550-W559 HydrophobicContact CG-CZ3 3.99Å; R551-W559 WeakPolarHBondContact O-CA 3.39Å; F552-W559 HydrophobicContact CB-CD2 3.72Å; F552-W559 HydrophobicContact CB-CE3 3.72Å; F552-W559 HydrophobicContact CB-CG 4.49Å; F552-W559 HydrophobicContact CB-CH2 3.56Å; F552-W559 HydrophobicContact CB-CZ2 3.56Å; F552-W559 HydrophobicContact CB-CZ3 3.64Å; F552-W559 AromaticContact CD2-CD1 3.88Å; F552-W559 HydrophobicContact CD2-CD2 4.12Å; F552-W559 AromaticContact CD2-CE2 3.66Å; F552-W559 HydrophobicContact CD2-CG 4.23Å; F552-W559 HydrophobicContact CD2-CZ2 4.07Å; F552-W559 AromaticContact CD2-NE1 3.52Å; F552-W559 HydrophobicContact CG-CD2 4.39Å; F552-W559 AromaticContact CG-CE2 3.96Å; F552-W559 HydrophobicContact CG-CH2 4.4Å; F552-W559 AromaticContact CG-CZ2 3.96Å; F552-W559 HydrophobicContact CG-CZ2 3.96Å
560	E	97.9	Very high	97.6	Very high	82 Å²	82	55.5 Å²	55.5	38%	0.383	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.3	173.8	65.1	-175.8	162.5	0	0	111.4	E550 R551	E550-E560 CarbonylContact C-O 3.55Å; E550-E560 VanDerWaalsContact CA-O 3.24Å; E550-E560 WeakPolarHBondContact CA-O 3.36Å; R551-E560 HydrophobicContact CG-CG 3.7Å; R551-E560 IonicContact CZ-OE1 3.06Å; R551-E560 PolarHBondContact N-O 3.43Å; R551-E560 IonicContact NE-OE1 2.78Å; R551-E560 PolarHBondContact NE-OE1 3.26Å; R551-E560 IonicContact NH2-OE1 3.36Å; R551-E560 PolarHBondContact NH2-OE1 3.27Å; R551-E560 PolarHBondContact O-N 3.05Å
561	G	97.9	Very high	97.5	Very high	55 Å²	55	56.3 Å²	56.3	57%	0.567	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	139.7	175.6	0	0	0	0	0	111.7
562	V	98.3	Very high	97.5	Very high	21 Å²	21	53.2 Å²	53.2	13%	0.127	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	179.3	171.7	-58.9	0	0	0	0	110.1	Y535 V549 R551	Y535-V562 HydrophobicContact CD1-CG2 4.45Å; Y535-V562 HydrophobicContact CE1-CG2 4.45Å; V549-V562 HydrophobicContact CB-CG2 3.64Å; V549-V562 HydrophobicContact CG1-CG2 3.44Å; V549-V562 VanDerWaalsContact CG1-CG2 3.44Å; V549-V562 PolarHBondContact O-N 3.09Å; R551-V562 HydrophobicContact CG-CG1 3.99Å
563	A	98.3	Very high	97.5	Very high	19 Å²	19	54 Å²	54	16%	0.157	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-55.9	132.7	-177.2	0	0	0	0	0	111.5	Y599 N604 W606	A563-Y599 HydrophobicContact CB-CE2 4.34Å; A563-N604 WeakPolarHBondContact CB-O 3.48Å; A563-N604 WeakPolarHBondContact CB-OD1 3.25Å; A563-N604 PolarHBondContact N-OD1 2.98Å; A563-W606 PolarHBondContact O-NE1 3.17Å
564	P	98.4	Very high	97.5	Very high	70 Å²	70	52.4 Å²	52.4	46%	0.455	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-70.7	153.7	179	31.2	-35.6	0	0	0	111.1	N547 W606	N547-P564 CarbonylContact O-C 3.49Å; N547-P564 WeakPolarHBondContact O-CA 3.32Å; N547-P564 WeakPolarHBondContact O-CB 3.48Å; P564-W606 VanDerWaalsContact C-CD1 3.48Å
565	M	98.3	Very high	97.6	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-61.1	156	169.1	-68	-178.4	-62	0	0	111.1	A537 N547 V549 I567 R569 A583 E597 W606	A537-M565 HydrophobicContact CB-CE 4.06Å; A537-M565 HydrophobicContact CB-SD 3.97Å; N547-M565 HydrophobicContact CB-CB 4.23Å; N547-M565 WeakPolarHBondContact CB-O 3.42Å; N547-M565 PolarHBondContact ND2-O 3.46Å; N547-M565 PolarHBondContact O-N 2.92Å; V549-M565 HydrophobicContact CG2-CG 3.93Å; M565-I567 WeakPolarHBondContact CB-O 3.31Å; M565-R569 HydrophobicContact CE-CB 3.98Å; M565-R569 HydrophobicContact CE-CG 4.29Å; M565-R569 HydrophobicContact SD-CG 4.5Å; M565-A583 HydrophobicContact SD-CB 3.7Å; M565-E597 WeakPolarHBondContact CB-OE1 3.22Å; M565-W606 HydrophobicContact CB-CD2 4.47Å; M565-W606 HydrophobicContact CG-CD2 3.81Å; M565-W606 HydrophobicContact CG-CE3 4.06Å; M565-W606 HydrophobicContact CG-CG 4.47Å; M565-W606 HydrophobicContact CG-CH2 3.88Å; M565-W606 HydrophobicContact CG-CZ2 3.63Å; M565-W606 HydrophobicContact CG-CZ3 4.09Å; M565-W606 HydrophobicContact SD-CH2 4.19Å; M565-W606 HydrophobicContact SD-CZ2 4.41Å; M565-W606 HydrophobicContact SD-CZ3 4.44Å
566	N	97.8	Very high	97.6	Very high	106 Å²	106	44.2 Å²	44.2	57%	0.567	25%	0.254	S	S	*	.	S	Bend	trans	-72	-37.4	177.8	-63.5	-58.1	0	0	0	111.1	E597 W606	N566-E597 PolarHBondContact N-OE1 2.83Å; N566-W606 PolarHBondContact ND2-O 3.49Å
567	I	96.9	Very high	97.5	Very high	63 Å²	63	40.7 Å²	40.7	32%	0.323	23%	0.232	S	C	.	.	S	Bend	trans	-112.3	140.5	178.3	-53.5	174.2	0	0	0	109.3	M565 D588 L593 E597	M565-I567 WeakPolarHBondContact CB-O 3.31Å; I567-D588 HydrophobicContact CG2-CB 4.18Å; I567-L593 HydrophobicContact CG2-CD1 3.99Å; I567-E597 WeakPolarHBondContact CB-OE2 3.35Å; I567-E597 VanDerWaalsContact CG1-OE2 3.25Å; I567-E597 WeakPolarHBondContact CG1-OE2 3.45Å; I567-E597 PolarHBondContact N-OE2 3.06Å
568	R	97.8	Very high	97.2	Very high	145 Å²	145	41.6 Å²	41.6	55%	0.547	24%	0.237	S	C	.	.			trans	-65.8	136	170.3	-70	175.9	-88.1	-103.7	2.7	109.6	C545 L546 N547 D588	C545-R568 HydrophobicContact CB-CB 4.21Å; C545-R568 WeakPolarHBondContact O-CD 3.23Å; C545-R568 WeakPolarHBondContact O-CG 3.46Å; L546-R568 WeakPolarHBondContact O-CA 3.25Å; N547-R568 HydrophobicContact CB-CB 4.43Å; N547-R568 HydrophobicContact CB-CG 3.86Å; R568-D588 VanDerWaalsContact O-CA 3.23Å; R568-D588 WeakPolarHBondContact O-CA 3.38Å; R568-D588 WeakPolarHBondContact O-CB 3.33Å
569	R	97.8	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.			trans	-142.4	121.8	-175.9	-62.1	176.1	-176	-90.8	-7.7	111.3	G539 C545 L546 M565 H572 G585 L593 S595 E597	G539-R569 PolarHBondContact N-O 3.43Å; C545-R569 PolarHBondContact SG-N 3.1Å; L546-R569 PolarHBondContact O-N 3.27Å; M565-R569 HydrophobicContact CE-CB 3.98Å; M565-R569 HydrophobicContact CE-CG 4.29Å; M565-R569 HydrophobicContact SD-CG 4.5Å; R569-H572 HydrophobicContact CB-CB 4.08Å; R569-H572 VanDerWaalsContact CB-ND1 3.34Å; R569-H572 WeakPolarHBondContact CB-ND1 3.24Å; R569-H572 PolarHBondContact O-CE1 3.41Å; R569-H572 PolarHBondContact O-ND1 3.37Å; R569-G585 PolarHBondContact NH1-O 2.91Å; R569-L593 HydrophobicContact CG-CD1 3.93Å; R569-S595 PolarHBondContact NH1-O 3.48Å; R569-S595 PolarHBondContact NH1-OG 3.43Å; R569-S595 PolarHBondContact NH2-OG 3.26Å; R569-E597 IonicContact CZ-OE2 3.47Å; R569-E597 IonicContact NE-OE2 3.06Å; R569-E597 PolarHBondContact NE-OE2 2.83Å; R569-E597 VanDerWaalsContact NH2-CG 3.32Å; R569-E597 IonicContact NH2-OE2 3.73Å; R569-E597 PolarHBondContact NH2-OE2 3.29Å
570	S	97.3	Very high	96.9	Very high	14 Å²	14	41.2 Å²	41.2	10%	0.098	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-117.9	152.2	165.2	65.8	0	0	0	0	109.3	C545 H572 G586 N587	C545-S570 PolarHBondContact SG-N 2.67Å; S570-H572 PolarHBondContact O-N 3.01Å; S570-G586 CarbonylContact O-C 3.5Å; S570-G586 VanDerWaalsContact O-CA 3.25Å; S570-G586 WeakPolarHBondContact O-CA 3.4Å; S570-N587 PolarHBondContact N-O 2.67Å; S570-N587 PolarHBondContact O-N 3.3Å; S570-N587 PolarHBondContact OG-O 3.33Å; S570-N587 VanDerWaalsContact OG-O 3.1Å
571	T	96.8	Very high	96.9	Very high	20 Å²	20	37.3 Å²	37.3	12%	0.123	22%	0.218	C	C	.	.	S	Bend	trans	57.5	18.3	-177.7	73.7	0	0	0	0	114.4	S524 S617 S618	S524-T571 PolarHBondContact O-N 3.2Å; T571-S617 WeakPolarHBondContact OG1-CB 3.46Å; T571-S618 WeakPolarHBondContact CB-OG 3.49Å; T571-S618 WeakPolarHBondContact O-CA 3.26Å; T571-S618 PolarHBondContact O-N 2.81Å; T571-S618 PolarHBondContact OG1-N 3.28Å; T571-S618 VanDerWaalsContact OG1-N 3.16Å
572	H	97.9	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.			trans	-78.8	177.1	167.4	67.6	-72.2	0	0	0	109.3	R476 G526 A537 R569 S570 V584 G585	R476-H572 PolarHBondContact NH2-O 2.8Å; R476-H572 VanDerWaalsContact NH2-O 3.15Å; G526-H572 PolarHBondContact N-CE1 2.95Å; G526-H572 PolarHBondContact N-NE2 2.83Å; A537-H572 PolarHBondContact O-CE1 3.14Å; A537-H572 PolarHBondContact O-NE2 3.23Å; R569-H572 HydrophobicContact CB-CB 4.08Å; R569-H572 VanDerWaalsContact CB-ND1 3.34Å; R569-H572 WeakPolarHBondContact CB-ND1 3.24Å; R569-H572 PolarHBondContact O-CE1 3.41Å; R569-H572 PolarHBondContact O-ND1 3.37Å; S570-H572 PolarHBondContact O-N 3.01Å; H572-V584 WeakPolarHBondContact CB-O 3.48Å; H572-G585 WeakPolarHBondContact CB-O 3.08Å
573	D	98	Very high	96.9	Very high	20 Å²	20	34.1 Å²	34.1	11%	0.107	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.9	166.6	-145.4	-7.1	0	0	0	111.2	A583 V584 V621	D573-A583 WeakPolarHBondContact O-CA 3.37Å; D573-V584 PolarHBondContact N-O 3.35Å; D573-V584 PolarHBondContact O-N 3.42Å; D573-V621 HydrophobicContact CB-CB 3.74Å; D573-V621 HydrophobicContact CB-CG2 3.55Å; D573-V621 PolarHBondContact OD2-N 2.89Å
574	L	98.1	Very high	96.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.5	-179.8	-171.9	73.1	0	0	0	108.6	G526 A528 A537 L581 Y582 A583 W606	G526-L574 VanDerWaalsContact C-CB 3.49Å; A528-L574 HydrophobicContact CB-CB 4.23Å; A528-L574 HydrophobicContact CB-CD2 3.82Å; A528-L574 HydrophobicContact CB-CG 3.7Å; A537-L574 HydrophobicContact CB-CD1 4.3Å; A537-L574 HydrophobicContact CB-CD2 3.95Å; L574-L581 HydrophobicContact CD1-CB 4.03Å; L574-Y582 WeakPolarHBondContact CA-O 3.43Å; L574-A583 HydrophobicContact CD1-CB 4.02Å; L574-W606 HydrophobicContact CD1-CH2 4Å
575	V	97.5	Very high	96.8	Very high	17 Å²	17	29.9 Å²	29.9	10%	0.103	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.8	177	-64.3	0	0	0	0	111.1	L343 L581 Y582 V621 V623	L343-V575 HydrophobicContact CD1-CG2 3.42Å; L343-V575 VanDerWaalsContact CD1-CG2 3.42Å; L343-V575 HydrophobicContact CG-CG2 4.1Å; V575-L581 CarbonylContact O-C 3.59Å; V575-L581 WeakPolarHBondContact O-CA 3.42Å; V575-Y582 PolarHBondContact N-O 3.44Å; V575-Y582 VanDerWaalsContact N-O 3.09Å; V575-Y582 PolarHBondContact O-N 2.86Å; V575-V621 HydrophobicContact CB-CG1 4.45Å; V575-V621 HydrophobicContact CG1-CB 4.02Å; V575-V621 HydrophobicContact CG1-CG1 3.66Å; V575-V621 HydrophobicContact CG2-CG1 3.89Å; V575-V623 HydrophobicContact CB-CG2 4.04Å; V575-V623 HydrophobicContact CG2-CG2 3.92Å
576	A	96.6	Very high	96.7	Very high	35 Å²	35	29.8 Å²	29.8	29%	0.289	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.1	172.6	0	0	0	0	0	109.9	V529 L530 W580 L581	V529-A576 WeakPolarHBondContact O-CB 3.47Å; L530-A576 HydrophobicContact CB-CB 4.22Å; L530-A576 HydrophobicContact CD1-CB 4.37Å; A576-W580 WeakPolarHBondContact CA-O 3.4Å; A576-L581 HydrophobicContact CB-CD2 3.92Å
577	M	93.8	Very high	96.6	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.034	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	133.9	-177.3	-178.9	172.7	60.2	0	0	109.7	P341 L343 Y361 T363 G579 W580 Y582 V623	P341-M577 HydrophobicContact CB-CG 3.6Å; P341-M577 HydrophobicContact CB-SD 3.79Å; P341-M577 HydrophobicContact CG-CG 3.55Å; P341-M577 HydrophobicContact CG-SD 4.03Å; L343-M577 HydrophobicContact CB-CE 4.04Å; L343-M577 HydrophobicContact CB-SD 4.03Å; L343-M577 HydrophobicContact CD1-CE 4Å; Y361-M577 HydrophobicContact CD1-CE 4.35Å; Y361-M577 HydrophobicContact CE1-CE 4.45Å; T363-M577 HydrophobicContact CG2-CE 3.22Å; T363-M577 HydrophobicContact CG2-CG 4.35Å; T363-M577 HydrophobicContact CG2-SD 3.44Å; T363-M577 WeakPolarHBondContact CG2-SD 3.35Å; M577-G579 PolarHBondContact O-N 2.93Å; M577-W580 PolarHBondContact N-O 2.85Å; M577-W580 PolarHBondContact O-N 2.89Å; M577-W580 VanDerWaalsContact O-O 3.12Å; M577-Y582 HydrophobicContact CB-CD2 4Å; M577-Y582 HydrophobicContact CB-CE2 3.94Å; M577-Y582 HydrophobicContact CE-CD1 4.04Å; M577-Y582 HydrophobicContact CE-CD2 3.66Å; M577-Y582 HydrophobicContact CE-CE1 3.77Å; M577-Y582 HydrophobicContact CE-CE2 3.38Å; M577-Y582 HydrophobicContact CE-CG 3.98Å; M577-Y582 VanDerWaalsContact CE-CZ 3.44Å; M577-Y582 HydrophobicContact CG-CE2 4.46Å; M577-V623 HydrophobicContact CB-CG2 4.4Å; M577-V623 HydrophobicContact CG-CG1 4.3Å; M577-V623 HydrophobicContact SD-CG1 4.08Å; M577-V623 HydrophobicContact SD-CG2 4.31Å
578	D	89.1	Confident	96.5	Very high	94 Å²	94	26 Å²	26	50%	0.503	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	29.1	178.1	-64.6	-38.8	0	0	0	115.5	P341 W580	P341-D578 VanDerWaalsContact CG-CG 3.42Å; P341-D578 WeakPolarHBondContact CG-OD1 3.47Å; P341-D578 WeakPolarHBondContact CG-OD2 3.31Å; D578-W580 VanDerWaalsContact C-N 3.33Å; D578-W580 VanDerWaalsContact O-CD1 3.26Å
579	G	93.3	Very high	96.2	Very high	30 Å²	30	21.6 Å²	21.6	31%	0.309	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	12.8	-177.2	0	0	0	0	0	114.7	M577 P601	M577-G579 PolarHBondContact O-N 2.93Å; G579-P601 WeakPolarHBondContact O-CD 3.3Å
580	W	96.3	Very high	95.9	Very high	60 Å²	60	26.5 Å²	26.5	23%	0.227	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	160.2	174.9	-63.6	75	0	0	0	110.3	A576 M577 D578 Y582 K598 Y599 N600	A576-W580 WeakPolarHBondContact CA-O 3.4Å; M577-W580 PolarHBondContact N-O 2.85Å; M577-W580 PolarHBondContact O-N 2.89Å; M577-W580 VanDerWaalsContact O-O 3.12Å; D578-W580 VanDerWaalsContact C-N 3.33Å; D578-W580 VanDerWaalsContact O-CD1 3.26Å; W580-Y582 HydrophobicContact CB-CD2 4.29Å; W580-Y582 HydrophobicContact CB-CE2 3.73Å; W580-K598 HydrophobicContact CE3-CB 4.11Å; W580-K598 HydrophobicContact CE3-CD 4.1Å; W580-K598 HydrophobicContact CE3-CG 3.86Å; W580-K598 HydrophobicContact CZ3-CD 4.39Å; W580-K598 HydrophobicContact CZ3-CG 4.11Å; W580-Y599 WeakPolarHBondContact CA-O 3.36Å; W580-Y599 VanDerWaalsContact CE3-O 3.32Å; W580-N600 HydrophobicContact CD2-CB 4.34Å; W580-N600 HydrophobicContact CE3-CB 3.77Å; W580-N600 HydrophobicContact CH2-CB 3.51Å; W580-N600 WeakPolarHBondContact CH2-ND2 3.47Å; W580-N600 HydrophobicContact CZ2-CB 4.1Å; W580-N600 WeakPolarHBondContact CZ2-ND2 3.33Å; W580-N600 HydrophobicContact CZ3-CB 3.35Å
581	L	98.1	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.9	164.9	-54.2	171.9	0	0	0	109.4	A528 L530 Y535 L574 V575 A576 K598 Y599	A528-L581 HydrophobicContact CB-CD2 3.9Å; L530-L581 HydrophobicContact CB-CD2 3.6Å; L530-L581 HydrophobicContact CB-CG 4.39Å; L530-L581 HydrophobicContact CD2-CD1 4.49Å; L530-L581 HydrophobicContact CD2-CD2 3.73Å; L530-L581 HydrophobicContact CD2-CG 3.69Å; L530-L581 HydrophobicContact CG-CD2 4.27Å; Y535-L581 HydrophobicContact CD1-CD1 3.57Å; Y535-L581 HydrophobicContact CD2-CD1 3.92Å; Y535-L581 HydrophobicContact CE1-CD1 4.15Å; Y535-L581 HydrophobicContact CE2-CD1 4.45Å; Y535-L581 HydrophobicContact CG-CD1 3.45Å; Y535-L581 VanDerWaalsContact CG-CD1 3.45Å; L574-L581 HydrophobicContact CD1-CB 4.03Å; V575-L581 CarbonylContact O-C 3.59Å; V575-L581 WeakPolarHBondContact O-CA 3.42Å; A576-L581 HydrophobicContact CB-CD2 3.92Å; L581-K598 CarbonylContact O-C 3.57Å; L581-K598 WeakPolarHBondContact O-CA 3.41Å; L581-Y599 HydrophobicContact CD1-CD1 3.78Å; L581-Y599 HydrophobicContact CD1-CE1 4.45Å; L581-Y599 HydrophobicContact CG-CD1 4.19Å; L581-Y599 PolarHBondContact N-O 3.44Å; L581-Y599 PolarHBondContact O-N 3.03Å
582	Y	98	Very high	95.7	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.039	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.6	177.4	-73	-105.4	0	0	0	109.6	L343 Y361 L574 V575 M577 W580 I596 E597 K598	L343-Y582 HydrophobicContact CD1-CD1 4.46Å; L343-Y582 HydrophobicContact CD1-CG 4.24Å; Y361-Y582 AromaticContact CE1-CE1 3.95Å; Y361-Y582 HydrophobicContact CE1-CE1 3.95Å; L574-Y582 WeakPolarHBondContact CA-O 3.43Å; V575-Y582 PolarHBondContact N-O 3.44Å; V575-Y582 VanDerWaalsContact N-O 3.09Å; V575-Y582 PolarHBondContact O-N 2.86Å; M577-Y582 HydrophobicContact CB-CD2 4Å; M577-Y582 HydrophobicContact CB-CE2 3.94Å; M577-Y582 HydrophobicContact CE-CD1 4.04Å; M577-Y582 HydrophobicContact CE-CD2 3.66Å; M577-Y582 HydrophobicContact CE-CE1 3.77Å; M577-Y582 HydrophobicContact CE-CE2 3.38Å; M577-Y582 HydrophobicContact CE-CG 3.98Å; M577-Y582 VanDerWaalsContact CE-CZ 3.44Å; M577-Y582 HydrophobicContact CG-CE2 4.46Å; W580-Y582 HydrophobicContact CB-CD2 4.29Å; W580-Y582 HydrophobicContact CB-CE2 3.73Å; Y582-I596 HydrophobicContact CD1-CG2 4.06Å; Y582-E597 CarbonylContact C-O 3.45Å; Y582-E597 WeakPolarHBondContact CA-O 3.48Å; Y582-K598 HydrophobicContact CD1-CB 3.94Å; Y582-K598 HydrophobicContact CD2-CB 4.47Å; Y582-K598 HydrophobicContact CE1-CB 3.87Å; Y582-K598 HydrophobicContact CE1-CD 3.93Å; Y582-K598 HydrophobicContact CE2-CB 4.39Å; Y582-K598 HydrophobicContact CG-CB 4.25Å
583	A	98.2	Very high	95.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115	173	0	0	0	0	0	109.3	M565 D573 L574 I596 E597 W606	M565-A583 HydrophobicContact SD-CB 3.7Å; D573-A583 WeakPolarHBondContact O-CA 3.37Å; L574-A583 HydrophobicContact CD1-CB 4.02Å; A583-I596 VanDerWaalsContact O-CA 3.31Å; A583-I596 WeakPolarHBondContact O-CA 3.49Å; A583-E597 PolarHBondContact N-O 2.77Å; A583-E597 PolarHBondContact O-N 3.46Å; A583-E597 VanDerWaalsContact O-N 3.11Å; A583-W606 HydrophobicContact CB-CH2 4.11Å; A583-W606 HydrophobicContact CB-CZ3 3.74Å
584	V	98	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.9	-165.7	-178.1	0	0	0	0	111	L343 A345 W368 H572 D573 I596 M612 V621	L343-V584 HydrophobicContact CD1-CG2 3.91Å; L343-V584 HydrophobicContact CD2-CG2 4.2Å; A345-V584 HydrophobicContact CB-CG1 4.46Å; W368-V584 HydrophobicContact CH2-CG1 4.43Å; H572-V584 WeakPolarHBondContact CB-O 3.48Å; D573-V584 PolarHBondContact N-O 3.35Å; D573-V584 PolarHBondContact O-N 3.42Å; V584-I596 HydrophobicContact CB-CG1 4.36Å; V584-I596 HydrophobicContact CG1-CG1 4.06Å; V584-I596 HydrophobicContact CG2-CG1 4.27Å; V584-I596 HydrophobicContact CG2-CG2 4.15Å; V584-M612 HydrophobicContact CG1-CE 3.98Å; V584-M612 HydrophobicContact CG1-SD 3.73Å; V584-V621 HydrophobicContact CB-CG2 3.95Å; V584-V621 HydrophobicContact CG1-CG2 3.92Å; V584-V621 HydrophobicContact CG2-CG1 4.33Å; V584-V621 HydrophobicContact CG2-CG2 4.45Å
585	G	97	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.199	C	C	.	.			trans	63.8	-142.1	175.7	0	0	0	0	0	113.6	R569 H572 L593 S595	R569-G585 PolarHBondContact NH1-O 2.91Å; H572-G585 WeakPolarHBondContact CB-O 3.08Å; G585-L593 WeakPolarHBondContact CA-O 3.43Å; G585-S595 PolarHBondContact N-O 2.66Å
586	G	96.8	Very high	95.5	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.195	C	C	.	.			trans	99	-159.8	-177.9	0	0	0	0	0	114.1	S570 S592 L593 R616	S570-G586 CarbonylContact O-C 3.5Å; S570-G586 VanDerWaalsContact O-CA 3.25Å; S570-G586 WeakPolarHBondContact O-CA 3.4Å; G586-S592 WeakPolarHBondContact O-CA 3.36Å; G586-L593 PolarHBondContact O-N 3.31Å; G586-R616 PolarHBondContact N-O 3.22Å
587	N	95.6	Very high	95.5	Very high	40 Å²	40	28.6 Å²	28.6	21%	0.214	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-136.2	131.5	177.3	-173.6	-42.5	0	0	0	109.1	C545 S570 G589 S590 S591	C545-N587 PolarHBondContact SG-O 3.13Å; S570-N587 PolarHBondContact N-O 2.67Å; S570-N587 PolarHBondContact O-N 3.3Å; S570-N587 PolarHBondContact OG-O 3.33Å; S570-N587 VanDerWaalsContact OG-O 3.1Å; N587-G589 PolarHBondContact O-N 3.24Å; N587-G589 WeakPolarHBondContact OD1-CA 3.46Å; N587-G589 PolarHBondContact OD1-N 3.05Å; N587-S590 PolarHBondContact OD1-N 2.77Å; N587-S590 VanDerWaalsContact OD1-N 3.16Å; N587-S591 WeakPolarHBondContact CA-O 3.46Å; N587-S591 PolarHBondContact OD1-O 2.76Å
588	D	95.6	Very high	95.7	Very high	50 Å²	50	30.7 Å²	30.7	27%	0.267	19%	0.192	S	C	.	.			trans	-82	3.8	-178.2	62.6	4.9	0	0	0	115	I567 R568 S590 S591 L593	I567-D588 HydrophobicContact CG2-CB 4.18Å; R568-D588 VanDerWaalsContact O-CA 3.23Å; R568-D588 WeakPolarHBondContact O-CA 3.38Å; R568-D588 WeakPolarHBondContact O-CB 3.33Å; D588-S590 WeakPolarHBondContact OD1-CA 3.38Å; D588-S590 PolarHBondContact OD1-N 2.9Å; D588-S591 PolarHBondContact N-O 2.8Å; D588-S591 PolarHBondContact OD1-N 3.22Å; D588-L593 HydrophobicContact CB-CD1 4.21Å; D588-L593 HydrophobicContact CB-CD2 4.21Å; D588-L593 HydrophobicContact CB-CG 4.48Å
589	G	91.5	Very high	96.1	Very high	53 Å²	53	26.3 Å²	26.3	55%	0.546	17%	0.168	S	C	.	.	S	Bend	trans	102.5	-8.1	-170.9	0	0	0	0	0	112.7	N587	N587-G589 PolarHBondContact O-N 3.24Å; N587-G589 WeakPolarHBondContact OD1-CA 3.46Å; N587-G589 PolarHBondContact OD1-N 3.05Å
590	S	90.3	Very high	96.3	Very high	102 Å²	102	26 Å²	26	71%	0.713	16%	0.159	S	C	*	.	S	Bend	trans	-135	-48.1	178.2	-61.6	0	0	0	0	112.3	N587 D588	N587-S590 PolarHBondContact OD1-N 2.77Å; N587-S590 VanDerWaalsContact OD1-N 3.16Å; D588-S590 WeakPolarHBondContact OD1-CA 3.38Å; D588-S590 PolarHBondContact OD1-N 2.9Å
591	S	93.3	Very high	96.2	Very high	64 Å²	64	24.2 Å²	24.2	45%	0.448	16%	0.156	S	C	.	.	S	Bend	trans	-126.6	146.5	-172.2	-66.6	0	0	0	0	112.5	N587 D588	N587-S591 WeakPolarHBondContact CA-O 3.46Å; N587-S591 PolarHBondContact OD1-O 2.76Å; D588-S591 PolarHBondContact N-O 2.8Å; D588-S591 PolarHBondContact OD1-N 3.22Å
592	S	96.4	Very high	96.1	Very high	15 Å²	15	34.1 Å²	34.1	11%	0.105	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-67	136.9	167.1	-55.9	0	0	0	0	110.6	G586 R615 S617	G586-S592 WeakPolarHBondContact O-CA 3.36Å; S592-R615 WeakPolarHBondContact O-CD 3.06Å; S592-R615 PolarHBondContact O-NH1 3.48Å; S592-S617 PolarHBondContact OG-OG 3.35Å
593	L	96.9	Very high	96.1	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	21%	0.211	C	C	.	.			trans	-102.6	142.4	-174.1	-58.3	175.5	0	0	0	110.9	I567 R569 G585 G586 D588 R616	I567-L593 HydrophobicContact CG2-CD1 3.99Å; R569-L593 HydrophobicContact CG-CD1 3.93Å; G585-L593 WeakPolarHBondContact CA-O 3.43Å; G586-L593 PolarHBondContact O-N 3.31Å; D588-L593 HydrophobicContact CB-CD1 4.21Å; D588-L593 HydrophobicContact CB-CD2 4.21Å; D588-L593 HydrophobicContact CB-CG 4.48Å; L593-R616 PolarHBondContact O-N 3.29Å
594	N	96.6	Very high	96	Very high	35 Å²	35	40 Å²	40	19%	0.187	23%	0.23	C	C	.	.			trans	-106.6	-8.3	162.3	66.7	-30.4	0	0	0	112.3	M612 T614 R615	N594-M612 HydrophobicContact CB-CB 4.17Å; N594-M612 WeakPolarHBondContact CB-O 3.42Å; N594-M612 PolarHBondContact ND2-O 3.36Å; N594-M612 PolarHBondContact O-N 3.09Å; N594-T614 WeakPolarHBondContact CB-O 3.28Å; N594-R615 HydrophobicContact CB-CB 4.45Å; N594-R615 HydrophobicContact CB-CG 3.85Å
595	S	97.2	Very high	96	Very high	19 Å²	19	46.7 Å²	46.7	13%	0.133	26%	0.259	C	S	.	.			trans	-65.6	148.2	179	62.5	0	0	0	0	112.8	R569 G585	R569-S595 PolarHBondContact NH1-O 3.48Å; R569-S595 PolarHBondContact NH1-OG 3.43Å; R569-S595 PolarHBondContact NH2-OG 3.26Å; G585-S595 PolarHBondContact N-O 2.66Å
596	I	96.8	Very high	96.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.9	171.9	-59.9	114.7	0	0	0	109.4	W368 Y582 A583 V584 A609 S610 M612	W368-I596 HydrophobicContact CH2-CD1 4.35Å; W368-I596 HydrophobicContact CZ2-CD1 3.23Å; W368-I596 HydrophobicContact CZ2-CG1 4.01Å; Y582-I596 HydrophobicContact CD1-CG2 4.06Å; A583-I596 VanDerWaalsContact O-CA 3.31Å; A583-I596 WeakPolarHBondContact O-CA 3.49Å; V584-I596 HydrophobicContact CB-CG1 4.36Å; V584-I596 HydrophobicContact CG1-CG1 4.06Å; V584-I596 HydrophobicContact CG2-CG1 4.27Å; V584-I596 HydrophobicContact CG2-CG2 4.15Å; I596-A609 HydrophobicContact CB-CB 4.26Å; I596-A609 HydrophobicContact CG2-CB 4.09Å; I596-A609 PolarHBondContact O-N 2.85Å; I596-S610 WeakPolarHBondContact CD1-O 3.46Å; I596-M612 HydrophobicContact CD1-CG 3.86Å
597	E	97.1	Very high	96.1	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.023	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.4	172.7	-49	176.1	18.4	0	0	108.8	M565 N566 I567 R569 Y582 A583 W606 V607	M565-E597 WeakPolarHBondContact CB-OE1 3.22Å; N566-E597 PolarHBondContact N-OE1 2.83Å; I567-E597 WeakPolarHBondContact CB-OE2 3.35Å; I567-E597 VanDerWaalsContact CG1-OE2 3.25Å; I567-E597 WeakPolarHBondContact CG1-OE2 3.45Å; I567-E597 PolarHBondContact N-OE2 3.06Å; R569-E597 IonicContact CZ-OE2 3.47Å; R569-E597 IonicContact NE-OE2 3.06Å; R569-E597 PolarHBondContact NE-OE2 2.83Å; R569-E597 VanDerWaalsContact NH2-CG 3.32Å; R569-E597 IonicContact NH2-OE2 3.73Å; R569-E597 PolarHBondContact NH2-OE2 3.29Å; Y582-E597 CarbonylContact C-O 3.45Å; Y582-E597 WeakPolarHBondContact CA-O 3.48Å; A583-E597 PolarHBondContact N-O 2.77Å; A583-E597 PolarHBondContact O-N 3.46Å; A583-E597 VanDerWaalsContact O-N 3.11Å; E597-W606 HydrophobicContact CB-CE3 3.68Å; E597-W606 HydrophobicContact CB-CZ3 4.22Å; E597-V607 CarbonylContact C-O 3.59Å; E597-V607 WeakPolarHBondContact CA-O 3.24Å
598	K	96.8	Very high	96.1	Very high	52 Å²	52	52.8 Å²	52.8	23%	0.226	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.7	174.1	64.5	-176.5	177.6	-171.2	0	112.3	W580 L581 Y582 W606 V607	W580-K598 HydrophobicContact CE3-CB 4.11Å; W580-K598 HydrophobicContact CE3-CD 4.1Å; W580-K598 HydrophobicContact CE3-CG 3.86Å; W580-K598 HydrophobicContact CZ3-CD 4.39Å; W580-K598 HydrophobicContact CZ3-CG 4.11Å; L581-K598 CarbonylContact O-C 3.57Å; L581-K598 WeakPolarHBondContact O-CA 3.41Å; Y582-K598 HydrophobicContact CD1-CB 3.94Å; Y582-K598 HydrophobicContact CD2-CB 4.47Å; Y582-K598 HydrophobicContact CE1-CB 3.87Å; Y582-K598 HydrophobicContact CE1-CD 3.93Å; Y582-K598 HydrophobicContact CE2-CB 4.39Å; Y582-K598 HydrophobicContact CG-CB 4.25Å; K598-W606 CarbonylContact O-C 3.53Å; K598-W606 WeakPolarHBondContact O-CA 3.33Å; K598-V607 PolarHBondContact N-O 2.94Å; K598-V607 PolarHBondContact O-N 3.16Å
599	Y	98.3	Very high	96.1	Very high	2 Å²	2	51 Å²	51	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.4	-178.9	174.8	-107.1	0	0	0	111.4	Y535 A563 W580 L581 P601 N604 K605 W606	Y535-Y599 AromaticContact CE1-CE1 3.95Å; Y535-Y599 HydrophobicContact CE1-CE1 3.95Å; A563-Y599 HydrophobicContact CB-CE2 4.34Å; W580-Y599 WeakPolarHBondContact CA-O 3.36Å; W580-Y599 VanDerWaalsContact CE3-O 3.32Å; L581-Y599 HydrophobicContact CD1-CD1 3.78Å; L581-Y599 HydrophobicContact CD1-CE1 4.45Å; L581-Y599 HydrophobicContact CG-CD1 4.19Å; L581-Y599 PolarHBondContact N-O 3.44Å; L581-Y599 PolarHBondContact O-N 3.03Å; Y599-P601 VanDerWaalsContact CE1-CA 3.47Å; Y599-P601 HydrophobicContact CE1-CB 3.92Å; Y599-N604 WeakPolarHBondContact CE2-OD1 3.46Å; Y599-N604 PolarHBondContact OH-OD1 2.86Å; Y599-K605 WeakPolarHBondContact CA-O 3.31Å; Y599-W606 AromaticContact CD2-CD1 3.74Å; Y599-W606 HydrophobicContact CD2-CD2 4.09Å; Y599-W606 AromaticContact CD2-CE2 3.69Å; Y599-W606 HydrophobicContact CD2-CG 4.13Å; Y599-W606 HydrophobicContact CD2-CZ2 4.22Å; Y599-W606 AromaticContact CD2-NE1 3.44Å; Y599-W606 HydrophobicContact CG-CD2 4.3Å; Y599-W606 AromaticContact CG-CE2 3.9Å; Y599-W606 HydrophobicContact CG-CZ2 4.03Å
600	N	97.1	Very high	96.2	Very high	23 Å²	23	50.6 Å²	50.6	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.2	169.7	-165.1	-24.2	0	0	0	109.9	W580 R602 S603 N604 K605	W580-N600 HydrophobicContact CD2-CB 4.34Å; W580-N600 HydrophobicContact CE3-CB 3.77Å; W580-N600 HydrophobicContact CH2-CB 3.51Å; W580-N600 WeakPolarHBondContact CH2-ND2 3.47Å; W580-N600 HydrophobicContact CZ2-CB 4.1Å; W580-N600 WeakPolarHBondContact CZ2-ND2 3.33Å; W580-N600 HydrophobicContact CZ3-CB 3.35Å; N600-R602 PolarHBondContact O-N 3.05Å; N600-R602 VanDerWaalsContact OD1-CB 3.31Å; N600-R602 WeakPolarHBondContact OD1-CB 3.45Å; N600-R602 PolarHBondContact OD1-N 3.26Å; N600-S603 WeakPolarHBondContact CB-OG 3.49Å; N600-S603 PolarHBondContact O-N 3.4Å; N600-N604 WeakPolarHBondContact O-CA 3.33Å; N600-N604 PolarHBondContact O-N 3.32Å; N600-K605 PolarHBondContact N-O 3.31Å; N600-K605 PolarHBondContact O-N 2.91Å
601	P	95.5	Very high	96.5	Very high	23 Å²	23	48.8 Å²	48.8	15%	0.149	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.1	175.4	28.2	-36.7	0	0	0	112.9	L530 G579 Y599	L530-P601 HydrophobicContact CD2-CB 4.41Å; L530-P601 HydrophobicContact CD2-CG 3.83Å; G579-P601 WeakPolarHBondContact O-CD 3.3Å; Y599-P601 VanDerWaalsContact CE1-CA 3.47Å; Y599-P601 HydrophobicContact CE1-CB 3.92Å
602	R	96	Very high	96.7	Very high	208 Å²	208	45.9 Å²	45.9	79%	0.785	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-36.1	-178.7	-66.1	179.7	-88.5	-170.4	-10.1	112.9	N600	N600-R602 PolarHBondContact O-N 3.05Å; N600-R602 VanDerWaalsContact OD1-CB 3.31Å; N600-R602 WeakPolarHBondContact OD1-CB 3.45Å; N600-R602 PolarHBondContact OD1-N 3.26Å
603	S	97.1	Very high	96.6	Very high	59 Å²	59	50.6 Å²	50.6	41%	0.413	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-4.5	177.5	71.4	0	0	0	0	113.6	N600 K605	N600-S603 WeakPolarHBondContact CB-OG 3.49Å; N600-S603 PolarHBondContact O-N 3.4Å; S603-K605 WeakPolarHBondContact O-CG 3.47Å; S603-K605 PolarHBondContact O-N 3.38Å
604	N	97.2	Very high	96.4	Very high	75 Å²	75	51.7 Å²	51.7	40%	0.401	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	52.2	-174.3	-170.2	23.6	0	0	0	112.2	A563 Y599 N600	A563-N604 WeakPolarHBondContact CB-O 3.48Å; A563-N604 WeakPolarHBondContact CB-OD1 3.25Å; A563-N604 PolarHBondContact N-OD1 2.98Å; Y599-N604 WeakPolarHBondContact CE2-OD1 3.46Å; Y599-N604 PolarHBondContact OH-OD1 2.86Å; N600-N604 WeakPolarHBondContact O-CA 3.33Å; N600-N604 PolarHBondContact O-N 3.32Å
605	K	98	Very high	96.3	Very high	139 Å²	139	56.2 Å²	56.2	60%	0.604	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.9	-176.9	-73.6	-179.1	-176.3	-175.7	0	112.4	Y599 N600 S603	Y599-K605 WeakPolarHBondContact CA-O 3.31Å; N600-K605 PolarHBondContact N-O 3.31Å; N600-K605 PolarHBondContact O-N 2.91Å; S603-K605 WeakPolarHBondContact O-CG 3.47Å; S603-K605 PolarHBondContact O-N 3.38Å
606	W	98.4	Very high	96.2	Very high	17 Å²	17	55.3 Å²	55.3	6%	0.064	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.4	172.2	-69.4	88.8	0	0	0	111.2	V549 A563 P564 M565 N566 L574 A583 E597 K598 Y599	V549-W606 HydrophobicContact CG1-CZ2 4.37Å; V549-W606 HydrophobicContact CG2-CZ2 3.81Å; A563-W606 PolarHBondContact O-NE1 3.17Å; P564-W606 VanDerWaalsContact C-CD1 3.48Å; M565-W606 HydrophobicContact CB-CD2 4.47Å; M565-W606 HydrophobicContact CG-CD2 3.81Å; M565-W606 HydrophobicContact CG-CE3 4.06Å; M565-W606 HydrophobicContact CG-CG 4.47Å; M565-W606 HydrophobicContact CG-CH2 3.88Å; M565-W606 HydrophobicContact CG-CZ2 3.63Å; M565-W606 HydrophobicContact CG-CZ3 4.09Å; M565-W606 HydrophobicContact SD-CH2 4.19Å; M565-W606 HydrophobicContact SD-CZ2 4.41Å; M565-W606 HydrophobicContact SD-CZ3 4.44Å; N566-W606 PolarHBondContact ND2-O 3.49Å; L574-W606 HydrophobicContact CD1-CH2 4Å; A583-W606 HydrophobicContact CB-CH2 4.11Å; A583-W606 HydrophobicContact CB-CZ3 3.74Å; E597-W606 HydrophobicContact CB-CE3 3.68Å; E597-W606 HydrophobicContact CB-CZ3 4.22Å; K598-W606 CarbonylContact O-C 3.53Å; K598-W606 WeakPolarHBondContact O-CA 3.33Å; Y599-W606 AromaticContact CD2-CD1 3.74Å; Y599-W606 HydrophobicContact CD2-CD2 4.09Å; Y599-W606 AromaticContact CD2-CE2 3.69Å; Y599-W606 HydrophobicContact CD2-CG 4.13Å; Y599-W606 HydrophobicContact CD2-CZ2 4.22Å; Y599-W606 AromaticContact CD2-NE1 3.44Å; Y599-W606 HydrophobicContact CG-CD2 4.3Å; Y599-W606 AromaticContact CG-CE2 3.9Å; Y599-W606 HydrophobicContact CG-CZ2 4.03Å
607	V	97.2	Very high	96.1	Very high	77 Å²	77	56.1 Å²	56.1	47%	0.467	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142	177.6	-174.4	0	0	0	0	108.9	E597 K598	E597-V607 CarbonylContact C-O 3.59Å; E597-V607 WeakPolarHBondContact CA-O 3.24Å; K598-V607 PolarHBondContact N-O 2.94Å; K598-V607 PolarHBondContact O-N 3.16Å
608	A	95.8	Very high	96.1	Very high	75 Å²	75	56.6 Å²	56.6	62%	0.62	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	148.9	175.3	0	0	0	0	0	111.7
609	A	94	Very high	96.1	Very high	13 Å²	13	54.2 Å²	54.2	11%	0.107	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	168.9	169.4	0	0	0	0	0	110.2	I596 C611	I596-A609 HydrophobicContact CB-CB 4.26Å; I596-A609 HydrophobicContact CG2-CB 4.09Å; I596-A609 PolarHBondContact O-N 2.85Å; A609-C611 PolarHBondContact O-N 2.99Å
610	S	94.9	Very high	96	Very high	43 Å²	43	54.1 Å²	54.1	30%	0.301	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-52.8	132.7	176.8	-75.4	0	0	0	0	111.8	D366 W368 I596	D366-S610 VanDerWaalsContact CG-OG 3.26Å; D366-S610 WeakPolarHBondContact O-CB 3.3Å; D366-S610 PolarHBondContact O-OG 2.93Å; D366-S610 VanDerWaalsContact OD1-CB 3.32Å; D366-S610 WeakPolarHBondContact OD1-CB 3.42Å; D366-S610 PolarHBondContact OD1-OG 3.21Å; D366-S610 VanDerWaalsContact OD1-OG 3.08Å; D366-S610 PolarHBondContact OD2-OG 2.96Å; W368-S610 PolarHBondContact NE1-O 2.84Å; I596-S610 WeakPolarHBondContact CD1-O 3.46Å
611	C	96.3	Very high	96.1	Very high	64 Å²	64	53.3 Å²	53.3	43%	0.432	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-75.5	149.8	-176.1	-63.6	0	0	0	0	112.4	W368 A609	W368-C611 PolarHBondContact NE1-O 2.82Å; A609-C611 PolarHBondContact O-N 2.99Å
612	M	96.3	Very high	96.1	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.8	157.3	167.2	-58.5	-176.5	-72.5	0	0	110.6	A345 W368 V584 N594 I596 R616	A345-M612 HydrophobicContact CB-SD 3.53Å; A345-M612 VanDerWaalsContact CB-SD 3.53Å; W368-M612 HydrophobicContact CD2-CB 4.49Å; W368-M612 HydrophobicContact CD2-CG 4.06Å; W368-M612 HydrophobicContact CE3-CG 4.16Å; W368-M612 HydrophobicContact CH2-CG 3.56Å; W368-M612 HydrophobicContact CH2-SD 3.95Å; W368-M612 HydrophobicContact CZ2-CG 3.51Å; W368-M612 HydrophobicContact CZ2-SD 4.41Å; W368-M612 HydrophobicContact CZ3-CG 3.91Å; W368-M612 HydrophobicContact CZ3-SD 4.3Å; V584-M612 HydrophobicContact CG1-CE 3.98Å; V584-M612 HydrophobicContact CG1-SD 3.73Å; N594-M612 HydrophobicContact CB-CB 4.17Å; N594-M612 WeakPolarHBondContact CB-O 3.42Å; N594-M612 PolarHBondContact ND2-O 3.36Å; N594-M612 PolarHBondContact O-N 3.09Å; I596-M612 HydrophobicContact CD1-CG 3.86Å; M612-R616 HydrophobicContact CE-CB 4.22Å; M612-R616 HydrophobicContact CE-CG 4.44Å
613	F	94.6	Very high	96.1	Very high	115 Å²	115	44.4 Å²	44.4	50%	0.504	25%	0.248	S	C	.	.	S	Bend	trans	-66	-45.4	169.7	-57.7	-63	0	0	0	110.4	E359 W368 M370	E359-F613 HydrophobicContact CG-CD2 4.37Å; E359-F613 WeakPolarHBondContact OE2-CA 3.37Å; E359-F613 VanDerWaalsContact OE2-CB 3.23Å; E359-F613 WeakPolarHBondContact OE2-CB 3.48Å; E359-F613 WeakPolarHBondContact OE2-CD2 3.43Å; E359-F613 WeakPolarHBondContact OE2-CG 3.41Å; E359-F613 PolarHBondContact OE2-N 2.83Å; W368-F613 HydrophobicContact CB-CD2 4.11Å; W368-F613 HydrophobicContact CB-CE2 3.6Å; W368-F613 HydrophobicContact CB-CZ 3.96Å; W368-F613 WeakPolarHBondContact O-CE2 3.35Å; W368-F613 VanDerWaalsContact O-CZ 3.23Å; W368-F613 WeakPolarHBondContact O-CZ 3.27Å; M370-F613 HydrophobicContact CG-CD2 4.28Å; M370-F613 HydrophobicContact CG-CE2 4.46Å; M370-F613 HydrophobicContact SD-CD2 3.93Å
614	T	92.9	Very high	95.9	Very high	34 Å²	34	41.9 Å²	41.9	21%	0.209	23%	0.23	C	C	.	.	S	Bend	trans	-100.1	139.1	-175.3	-58	0	0	0	0	111.7	H355 D357 E359 N594 R616	H355-T614 WeakPolarHBondContact CE1-CG2 3.01Å; H355-T614 WeakPolarHBondContact ND1-CG2 3.48Å; D357-T614 PolarHBondContact OD2-OG1 2.98Å; E359-T614 VanDerWaalsContact OE1-CB 3.29Å; E359-T614 WeakPolarHBondContact OE1-CB 3.45Å; E359-T614 PolarHBondContact OE1-N 3.43Å; N594-T614 WeakPolarHBondContact CB-O 3.28Å; T614-R616 HydrophobicContact CG2-CG 4.07Å
615	R	95.1	Very high	95.5	Very high	131 Å²	131	42.7 Å²	42.7	49%	0.494	23%	0.231	S	C	.	.			trans	-75.8	122.5	170.3	-67.5	172.3	179.9	-85.6	-3	109.4	H355 S592 N594	H355-R615 PolarHBondContact CE1-O 3.48Å; H355-R615 VanDerWaalsContact CE1-O 3.3Å; S592-R615 WeakPolarHBondContact O-CD 3.06Å; S592-R615 PolarHBondContact O-NH1 3.48Å; N594-R615 HydrophobicContact CB-CB 4.45Å; N594-R615 HydrophobicContact CB-CG 3.85Å
616	R	94.7	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.			trans	-134.1	119.8	-173.4	-57.6	172.1	-174.1	-82	-0.3	110.8	G347 D357 E359 G586 L593 M612 T614 V619	G347-R616 WeakPolarHBondContact O-CD 3.12Å; G347-R616 PolarHBondContact O-NH1 2.87Å; D357-R616 PolarHBondContact O-NH1 3.2Å; D357-R616 PolarHBondContact O-NH2 3.07Å; D357-R616 IonicContact OD1-NH1 3.45Å; D357-R616 IonicContact OD2-CZ 3.51Å; D357-R616 IonicContact OD2-NH1 3.26Å; D357-R616 PolarHBondContact OD2-NH1 2.76Å; D357-R616 IonicContact OD2-NH2 3.75Å; D357-R616 PolarHBondContact OD2-NH2 2.86Å; E359-R616 IonicContact OE1-CZ 3.59Å; E359-R616 VanDerWaalsContact OE1-CZ 3.27Å; E359-R616 IonicContact OE1-NE 2.69Å; E359-R616 PolarHBondContact OE1-NE 2.72Å; E359-R616 IonicContact OE1-NH2 2.8Å; E359-R616 PolarHBondContact OE1-NH2 3.13Å; G586-R616 PolarHBondContact N-O 3.22Å; L593-R616 PolarHBondContact O-N 3.29Å; M612-R616 HydrophobicContact CE-CB 4.22Å; M612-R616 HydrophobicContact CE-CG 4.44Å; T614-R616 HydrophobicContact CG2-CG 4.07Å; R616-V619 HydrophobicContact CB-CB 3.9Å; R616-V619 HydrophobicContact CB-CG2 4.12Å
617	S	95.4	Very high	94	Very high	20 Å²	20	37.7 Å²	37.7	14%	0.14	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-105.4	153.4	164.1	65.8	0	0	0	0	109.6	G348 G349 T571 S592 V619	G348-S617 CarbonylContact C-O 3.46Å; G348-S617 VanDerWaalsContact CA-O 3.32Å; G348-S617 WeakPolarHBondContact CA-O 3.32Å; G349-S617 PolarHBondContact N-O 3.27Å; G349-S617 PolarHBondContact O-N 2.79Å; G349-S617 PolarHBondContact O-OG 3.22Å; T571-S617 WeakPolarHBondContact OG1-CB 3.46Å; S592-S617 PolarHBondContact OG-OG 3.35Å; S617-V619 PolarHBondContact O-N 3.5Å
618	S	96.1	Very high	92.7	Very high	16 Å²	16	39.3 Å²	39.3	11%	0.112	22%	0.218	C	C	.	.	S	Bend	trans	51.7	37.9	-172.1	-52.8	0	0	0	0	113.1	G348 R380 T571	G348-S618 WeakPolarHBondContact CA-O 3.45Å; R380-S618 PolarHBondContact N-O 2.77Å; T571-S618 WeakPolarHBondContact CB-OG 3.49Å; T571-S618 WeakPolarHBondContact O-CA 3.26Å; T571-S618 PolarHBondContact O-N 2.81Å; T571-S618 PolarHBondContact OG1-N 3.28Å; T571-S618 VanDerWaalsContact OG1-N 3.16Å
619	V	96.8	Very high	91.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.193	C	C	.	.			trans	-75.2	147.1	176.4	64.6	0	0	0	0	109.7	A345 R616 S617 V621	A345-V619 HydrophobicContact CB-CG2 4.1Å; R616-V619 HydrophobicContact CB-CB 3.9Å; R616-V619 HydrophobicContact CB-CG2 4.12Å; S617-V619 PolarHBondContact O-N 3.5Å; V619-V621 HydrophobicContact CG1-CG2 4.18Å; V619-V621 HydrophobicContact CG2-CG2 4.21Å
620	G	97.4	Very high	90.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.9	166.3	0	0	0	0	0	110.2	V346	V346-G620 PolarHBondContact N-O 2.84Å; V346-G620 PolarHBondContact O-N 2.92Å
621	V	97.8	Very high	88.7	Confident	5 Å²	5	37 Å²	37	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.3	-176.1	-176.5	0	0	0	0	110.7	L343 F344 D573 V575 V584 V619	L343-V621 HydrophobicContact CD1-CG1 4.11Å; L343-V621 HydrophobicContact CD2-CG1 3.6Å; L343-V621 HydrophobicContact CG-CG1 3.64Å; F344-V621 VanDerWaalsContact O-CA 3.24Å; F344-V621 WeakPolarHBondContact O-CA 3.39Å; F344-V621 WeakPolarHBondContact O-CG1 2.98Å; D573-V621 HydrophobicContact CB-CB 3.74Å; D573-V621 HydrophobicContact CB-CG2 3.55Å; D573-V621 PolarHBondContact OD2-N 2.89Å; V575-V621 HydrophobicContact CB-CG1 4.45Å; V575-V621 HydrophobicContact CG1-CB 4.02Å; V575-V621 HydrophobicContact CG1-CG1 3.66Å; V575-V621 HydrophobicContact CG2-CG1 3.89Å; V584-V621 HydrophobicContact CB-CG2 3.95Å; V584-V621 HydrophobicContact CG1-CG2 3.92Å; V584-V621 HydrophobicContact CG2-CG1 4.33Å; V584-V621 HydrophobicContact CG2-CG2 4.45Å; V619-V621 HydrophobicContact CG1-CG2 4.18Å; V619-V621 HydrophobicContact CG2-CG2 4.21Å
622	A	97.4	Very high	86.4	Confident	7 Å²	7	40.5 Å²	40.5	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163.9	172.8	0	0	0	0	0	110.5	F344 V383 A385 L390	F344-A622 PolarHBondContact N-O 2.7Å; F344-A622 PolarHBondContact O-N 3.07Å; V383-A622 HydrophobicContact CG1-CB 3.81Å; A385-A622 HydrophobicContact CB-CB 4.29Å; L390-A622 HydrophobicContact CD2-CB 3.78Å
623	V	95.4	Very high	84	Confident	38 Å²	38	45.1 Å²	45.1	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.1	-178	-179.3	0	0	0	0	108.9	P341 V342 L343 A385 V575 M577	P341-V623 HydrophobicContact CB-CG1 3.55Å; V342-V623 WeakPolarHBondContact O-CA 3.15Å; L343-V623 HydrophobicContact CB-CG2 4.42Å; A385-V623 VanDerWaalsContact CB-O 3.24Å; A385-V623 WeakPolarHBondContact CB-O 3.45Å; V575-V623 HydrophobicContact CB-CG2 4.04Å; V575-V623 HydrophobicContact CG2-CG2 3.92Å; M577-V623 HydrophobicContact CB-CG2 4.4Å; M577-V623 HydrophobicContact CG-CG1 4.3Å; M577-V623 HydrophobicContact SD-CG1 4.08Å; M577-V623 HydrophobicContact SD-CG2 4.31Å
624	L	92.2	Very high	81.3	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.9	169.4	-71.3	171.9	0	0	0	110	P341 V342 F344 A385 L390 P410 L626	P341-L624 CarbonylContact C-O 3.58Å; P341-L624 WeakPolarHBondContact CA-O 3.4Å; V342-L624 PolarHBondContact N-O 3.34Å; V342-L624 PolarHBondContact O-N 2.84Å; F344-L624 HydrophobicContact CD2-CD1 4.4Å; F344-L624 HydrophobicContact CE2-CB 4Å; F344-L624 HydrophobicContact CE2-CD1 3.96Å; F344-L624 HydrophobicContact CE2-CG 4.28Å; F344-L624 HydrophobicContact CZ-CD1 4.39Å; A385-L624 HydrophobicContact CB-CD2 3.68Å; A385-L624 HydrophobicContact CB-CG 4.32Å; L390-L624 HydrophobicContact CD1-CD1 4.35Å; L390-L624 HydrophobicContact CD2-CD1 3.56Å; L390-L624 HydrophobicContact CD2-CD2 4.12Å; L390-L624 HydrophobicContact CD2-CG 3.53Å; L390-L624 HydrophobicContact CG-CD1 3.63Å; L390-L624 HydrophobicContact CG-CG 4.19Å; P410-L624 HydrophobicContact CB-CD1 4.34Å; P410-L624 HydrophobicContact CG-CD1 4.05Å; L624-L626 HydrophobicContact CB-CD1 4.41Å; L624-L626 HydrophobicContact CB-CD2 4.09Å; L624-L626 HydrophobicContact CB-CG 4Å
625	E	88.4	Confident	78.6	Confident	91 Å²	91	44.1 Å²	44.1	43%	0.425	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.1	168.5	-68	179.2	-175.3	0	0	108.6	R335 A339	R335-E625 IonicContact NH1-OE1 2.71Å; A339-E625 HydrophobicContact CB-CB 4.04Å
626	L	85.9	Confident	75.8	Confident	22 Å²	22	44.1 Å²	44.1	12%	0.115	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.1	-175.8	-59.8	179.5	0	0	0	111.6	A339 S340 V342 F344 P410 L624 F629	A339-L626 WeakPolarHBondContact CA-O 3.06Å; S340-L626 PolarHBondContact N-O 3.39Å; S340-L626 PolarHBondContact O-N 3.42Å; V342-L626 HydrophobicContact CB-CD1 4.14Å; V342-L626 HydrophobicContact CG2-CB 4.14Å; V342-L626 HydrophobicContact CG2-CD1 4.15Å; V342-L626 HydrophobicContact CG2-CG 4.4Å; F344-L626 HydrophobicContact CE2-CD1 3.93Å; F344-L626 HydrophobicContact CZ-CD1 3.68Å; P410-L626 HydrophobicContact CB-CD1 3.79Å; P410-L626 HydrophobicContact CB-CD2 3.71Å; P410-L626 HydrophobicContact CB-CG 4.45Å; P410-L626 HydrophobicContact CG-CD2 3.6Å; L624-L626 HydrophobicContact CB-CD1 4.41Å; L624-L626 HydrophobicContact CB-CD2 4.09Å; L624-L626 HydrophobicContact CB-CG 4Å; L626-F629 HydrophobicContact CB-CB 4.32Å; L626-F629 HydrophobicContact CD1-CD2 3.81Å; L626-F629 HydrophobicContact CD1-CE2 4.45Å; L626-F629 HydrophobicContact CD1-CG 4.41Å
627	L	80.1	Confident	73.1	Confident	29 Å²	29	50.6 Å²	50.6	15%	0.152	30%	0.303	C	S	.	.	S	Bend	trans	-91.6	142.4	168.4	-73.9	170.8	0	0	0	110.4	Q218 N247 C336 G338 A339 F629	Q218-L627 HydrophobicContact CG-CD1 4.06Å; N247-L627 HydrophobicContact CB-CD1 3.84Å; C336-L627 HydrophobicContact CB-CD1 3.65Å; C336-L627 HydrophobicContact CB-CG 4.22Å; C336-L627 WeakPolarHBondContact SG-CD1 3.34Å; G338-L627 VanDerWaalsContact C-CD2 3.46Å; A339-L627 HydrophobicContact CB-CD2 4.26Å; A339-L627 HydrophobicContact CB-CG 4.27Å; L627-F629 VanDerWaalsContact C-N 3.27Å; L627-F629 PolarHBondContact O-N 2.91Å
628	N	70.2	Confident	69.8	Low	111 Å²	111	54.9 Å²	54.9	59%	0.594	33%	0.332	S	S	*	.	S	Bend	trans	51.6	42.7	169.6	-58.5	-27.8	0	0	0	113.8	P630	N628-P630 CarbonylContact O-C 3.55Å
629	F	75.3	Confident	66.7	Low	18 Å²	18	60 Å²	60	8%	0.079	36%	0.363	C	S	.	.	S	Bend	trans	-83	142.3	172.7	-170.8	-91.3	0	0	0	110.9	V342 F344 A360 D362 H369 V371 L626 L627	V342-F629 HydrophobicContact CG1-CD1 3.82Å; V342-F629 HydrophobicContact CG1-CD2 4.46Å; V342-F629 HydrophobicContact CG1-CE1 3.8Å; V342-F629 HydrophobicContact CG1-CE2 4.45Å; V342-F629 HydrophobicContact CG1-CG 4.18Å; V342-F629 HydrophobicContact CG1-CZ 4.16Å; V342-F629 HydrophobicContact CG2-CB 3.84Å; V342-F629 HydrophobicContact CG2-CD1 3.88Å; V342-F629 HydrophobicContact CG2-CG 3.8Å; F344-F629 HydrophobicContact CZ-CE2 4.41Å; A360-F629 HydrophobicContact CB-CE1 3.87Å; A360-F629 HydrophobicContact CB-CE2 4.31Å; A360-F629 HydrophobicContact CB-CZ 3.43Å; A360-F629 VanDerWaalsContact CB-CZ 3.43Å; D362-F629 HydrophobicContact CB-CD1 4.21Å; H369-F629 HydrophobicContact CB-CE1 4.29Å; H369-F629 HydrophobicContact CB-CZ 4.33Å; H369-F629 AromaticContact CD2-CE1 3.91Å; V371-F629 HydrophobicContact CG1-CZ 4.24Å; L626-F629 HydrophobicContact CB-CB 4.32Å; L626-F629 HydrophobicContact CD1-CD2 3.81Å; L626-F629 HydrophobicContact CD1-CE2 4.45Å; L626-F629 HydrophobicContact CD1-CG 4.41Å; L627-F629 VanDerWaalsContact C-N 3.27Å; L627-F629 PolarHBondContact O-N 2.91Å
630	P	65.8	Low	63.4	Low	41 Å²	41	64.4 Å²	64.4	27%	0.266	39%	0.393	S	S	.	.	S	Bend	cis	-71.9	150.3	-5.3	31.9	-37	0	0	0	112.4	N628	N628-P630 CarbonylContact O-C 3.55Å
631	P	58.2	Low	60.3	Low	24 Å²	24	70 Å²	70	16%	0.156	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-58.5	144	177.6	19.9	-27.5	0	0	0	110.4	S633 S634	P631-S633 PolarHBondContact O-N 2.66Å; P631-S634 VanDerWaalsContact CD-OG 3.31Å; P631-S634 WeakPolarHBondContact CD-OG 3.38Å; P631-S634 WeakPolarHBondContact CG-OG 2.99Å; P631-S634 VanDerWaalsContact O-CB 3.25Å; P631-S634 WeakPolarHBondContact O-CB 3.17Å; P631-S634 PolarHBondContact O-N 2.76Å; P631-S634 PolarHBondContact O-OG 2.92Å
632	P	49.5	Very low	57.1	Low	138 Å²	138	75.2 Å²	75.2	90%	0.896	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.5	-173.9	20.1	-31.2	0	0	0	114.5	S634	P632-S634 VanDerWaalsContact C-N 3.34Å
633	S	44.1	Very low	53.9	Low	99 Å²	99	80.8 Å²	80.8	69%	0.692	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.1	172.9	54.4	0	0	0	0	114.4	P631 P635	P631-S633 PolarHBondContact O-N 2.66Å; S633-P635 WeakPolarHBondContact O-CD 3.49Å
634	S	39.2	Very low	50.9	Low	21 Å²	21	91 Å²	91	15%	0.147	56%	0.555	C	S	.	*	S	Bend	trans	-68.1	123.7	177.6	-54.8	0	0	0	0	109	P631 P632 T636	P631-S634 VanDerWaalsContact CD-OG 3.31Å; P631-S634 WeakPolarHBondContact CD-OG 3.38Å; P631-S634 WeakPolarHBondContact CG-OG 2.99Å; P631-S634 VanDerWaalsContact O-CB 3.25Å; P631-S634 WeakPolarHBondContact O-CB 3.17Å; P631-S634 PolarHBondContact O-N 2.76Å; P631-S634 PolarHBondContact O-OG 2.92Å; P632-S634 VanDerWaalsContact C-N 3.34Å; S634-T636 PolarHBondContact O-N 3.45Å
635	P	36.1	Very low	48.8	Very low	108 Å²	108	95.2 Å²	95.2	70%	0.701	58%	0.581	S	S	*	*			trans	-61.2	106.8	174.1	23.6	-30.2	0	0	0	108	S633 L637	S633-P635 WeakPolarHBondContact O-CD 3.49Å; P635-L637 PolarHBondContact O-N 3.19Å
636	T	36	Very low	46.7	Very low	130 Å²	130	95.4 Å²	95.4	80%	0.798	59%	0.589	S	S	*	*			trans	-65.4	93.8	164.9	41.2	0	0	0	0	106.7	S634 S638	S634-T636 PolarHBondContact O-N 3.45Å; T636-S638 PolarHBondContact O-N 2.91Å
637	L	37	Very low	44.5	Very low	137 Å²	137	99.5 Å²	99.5	72%	0.717	62%	0.616	S	S	*	*			trans	-62.6	96.7	161.2	-80.6	162.5	0	0	0	106.3	P635 V639	P635-L637 PolarHBondContact O-N 3.19Å; L637-V639 VanDerWaalsContact C-N 3.32Å; L637-V639 PolarHBondContact O-N 3.33Å
638	S	27.9	Very low	42.5	Very low	109 Å²	109	103.6 Å²	103.6	76%	0.762	64%	0.643	S	S	*	*			trans	-64.5	101.2	162.1	51.5	0	0	0	0	106.2	T636 S640	T636-S638 PolarHBondContact O-N 2.91Å; S638-S640 PolarHBondContact O-N 2.86Å
639	V	30.7	Very low	40.7	Very low	124 Å²	124	103.2 Å²	103.2	75%	0.752	65%	0.646	S	S	*	*			trans	-66.8	102.5	168.3	-177.4	0	0	0	0	105.7	L637 S641	L637-V639 VanDerWaalsContact C-N 3.32Å; L637-V639 PolarHBondContact O-N 3.33Å; V639-S641 PolarHBondContact O-N 2.65Å
640	S	27.3	Very low	38.4	Very low	93 Å²	93	108.9 Å²	108.9	65%	0.65	68%	0.684	S	S	*	*			trans	-63.5	116	166.7	46.3	0	0	0	0	107.7	S638 T642	S638-S640 PolarHBondContact O-N 2.86Å; S640-T642 PolarHBondContact O-N 3.39Å
641	S	31.1	Very low	36.5	Very low	118 Å²	118	113.7 Å²	113.7	83%	0.825	71%	0.713	S	S	*	*			trans	-68.9	76.5	172.1	42	0	0	0	0	110.3	V639	V639-S641 PolarHBondContact O-N 2.65Å
642	T	32.2	Very low	34.8	Very low	115 Å²	115	120.6 Å²	120.6	71%	0.706	76%	0.756	S	S	*	*			trans	-143.9	88.4	164.7	42.4	0	0	0	0	110.4	S640	S640-T642 PolarHBondContact O-N 3.39Å
643	S	29.4	Very low	33.6	Very low	124 Å²	124	119.2 Å²	119.2	87%	0.867	75%	0.745	S	S	*	*			trans	-174.8	91.6	139.1	25.7	0	0	0	0	108.2
644	L	31.8	Very low	32.6	Very low	252 Å²	252	121 Å²	121	100%	1.319	75%	0.749	S	S	*	*			trans	-75.8	0	149.7	-94.9	161	0	0	0	108.4

Retrieved 644 of 644 residues in 158.3 ms (Link to these results)

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