A0A087YDF1_POEFO Loading...

Calmegin

AlphaFold DB , UniProt , Accession A0A087YDF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	45.1	Very low	245 Å²	245	144.2 Å²	144.2	100%	1.207	75%	0.754	S	S	*	*				0	134.6	0	-70.1	148.6	168.1	0	0	107.5
2	K	37.6	Very low	45.2	Very low	212 Å²	212	141.1 Å²	141.1	92%	0.922	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-103.1	125.1	173	-73.6	-176.8	175.3	-178	0	108.1
3	L	40.6	Very low	45.1	Very low	182 Å²	182	141.1 Å²	141.1	95%	0.953	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-102.6	122.3	165.6	-79.9	161	0	0	0	107.2
4	G	37.4	Very low	45.1	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-89	150.1	-178.6	0	0	0	0	0	112.2	G6	G4-G6 PolarHBondContact O-N 3.49Å
5	G	49.7	Very low	44.9	Very low	70 Å²	70	134.5 Å²	134.5	72%	0.722	70%	0.703	S	S	*	*	S	Bend	trans	-70	23.2	-171.5	0	0	0	0	0	117.6	W7	G5-W7 PolarHBondContact O-N 2.88Å
6	G	47.2	Very low	44.6	Very low	51 Å²	51	131.3 Å²	131.3	53%	0.526	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.8	5.3	-175	0	0	0	0	0	116.2	G4	G4-G6 PolarHBondContact O-N 3.49Å
7	W	50.3	Low	44.2	Very low	204 Å²	204	130.8 Å²	130.8	77%	0.773	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-37.7	-176.5	-129.2	53.7	0	0	0	113.3	G5 W9 R10 L11	G5-W7 PolarHBondContact O-N 2.88Å; W7-W9 PolarHBondContact O-N 3.15Å; W7-R10 PolarHBondContact O-N 3.21Å; W7-L11 HydrophobicContact CE3-CD1 4.29Å; W7-L11 PolarHBondContact O-N 3.09Å
8	V	52.7	Low	43.9	Very low	94 Å²	94	126.8 Å²	126.8	57%	0.57	68%	0.681	S	S	*	*	H	α-helix	trans	-65.3	-42.1	-176.9	-177.8	0	0	0	0	111.4	R10 L11 L12	V8-R10 VanDerWaalsContact C-N 3.32Å; V8-R10 PolarHBondContact O-N 3.2Å; V8-L11 PolarHBondContact O-N 2.87Å; V8-L12 HydrophobicContact CG1-CD1 4.39Å; V8-L12 PolarHBondContact O-N 3.22Å
9	W	45.6	Very low	43.4	Very low	161 Å²	161	125.5 Å²	125.5	61%	0.61	68%	0.677	S	S	*	*	H	α-helix	trans	-66.4	-31	178.1	-83.1	47.7	0	0	0	113.2	W7 F13	W7-W9 PolarHBondContact O-N 3.15Å; W9-F13 PolarHBondContact O-N 2.97Å; W9-F13 VanDerWaalsContact O-N 3.17Å
10	R	48.6	Very low	43	Very low	190 Å²	190	122.5 Å²	122.5	72%	0.717	67%	0.671	S	S	*	*	H	α-helix	trans	-70	-34.2	175.3	-75	-175.2	172.5	-121.4	-4	112.4	W7 V8 L14	W7-R10 PolarHBondContact O-N 3.21Å; V8-R10 VanDerWaalsContact C-N 3.32Å; V8-R10 PolarHBondContact O-N 3.2Å; R10-L14 WeakPolarHBondContact O-CB 3.49Å; R10-L14 WeakPolarHBondContact O-CD1 3.48Å; R10-L14 VanDerWaalsContact O-CG 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.22Å; R10-L14 PolarHBondContact O-N 3.29Å
11	L	48.1	Very low	42.6	Very low	105 Å²	105	119.9 Å²	119.9	55%	0.55	67%	0.666	S	S	.	*	H	α-helix	trans	-68.6	-42.2	174.9	-81.3	158.3	0	0	0	111.9	W7 V8 L14 S15	W7-L11 HydrophobicContact CE3-CD1 4.29Å; W7-L11 PolarHBondContact O-N 3.09Å; V8-L11 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.3Å; L11-S15 PolarHBondContact O-N 3.48Å; L11-S15 PolarHBondContact O-OG 3.46Å
12	L	45.9	Very low	42.5	Very low	107 Å²	107	113.8 Å²	113.8	56%	0.56	64%	0.642	S	S	*	*	H	α-helix	trans	-66.1	-40.3	178.8	-73.8	169.5	0	0	0	113.3	V8 S15 S16	V8-L12 HydrophobicContact CG1-CD1 4.39Å; V8-L12 PolarHBondContact O-N 3.22Å; L12-S15 WeakPolarHBondContact CA-OG 3.26Å; L12-S15 PolarHBondContact O-N 3.06Å; L12-S15 PolarHBondContact O-OG 2.88Å; L12-S16 PolarHBondContact O-N 3.31Å; L12-S16 VanDerWaalsContact O-N 3.17Å
13	F	44.2	Very low	42.2	Very low	141 Å²	141	109.5 Å²	109.5	62%	0.618	63%	0.633	S	S	*	*	H	α-helix	trans	-65.1	-38.6	173.5	-96.5	-86.6	0	0	0	112.4	W9 S16 L17	W9-F13 PolarHBondContact O-N 2.97Å; W9-F13 VanDerWaalsContact O-N 3.17Å; F13-S16 PolarHBondContact O-N 3.29Å; F13-L17 PolarHBondContact O-N 3.39Å
14	L	44.5	Very low	41.9	Very low	120 Å²	120	105.8 Å²	105.8	63%	0.628	62%	0.622	S	S	*	*	H	α-helix	trans	-69.5	-34.5	177.3	-76.1	168.2	0	0	0	113	R10 L11 A18	R10-L14 WeakPolarHBondContact O-CB 3.49Å; R10-L14 WeakPolarHBondContact O-CD1 3.48Å; R10-L14 VanDerWaalsContact O-CG 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.22Å; R10-L14 PolarHBondContact O-N 3.29Å; L11-L14 PolarHBondContact O-N 3.3Å; L14-A18 PolarHBondContact O-N 3.28Å
15	S	43	Very low	41.4	Very low	64 Å²	64	107.1 Å²	107.1	45%	0.448	62%	0.62	S	S	.	*	H	α-helix	trans	-69.3	-34.6	173.5	52.6	0	0	0	0	112.9	L11 L12 A18 V19	L11-S15 PolarHBondContact O-N 3.48Å; L11-S15 PolarHBondContact O-OG 3.46Å; L12-S15 WeakPolarHBondContact CA-OG 3.26Å; L12-S15 PolarHBondContact O-N 3.06Å; L12-S15 PolarHBondContact O-OG 2.88Å; S15-A18 PolarHBondContact O-N 3.36Å; S15-V19 PolarHBondContact O-N 3.34Å
16	S	39.5	Very low	40.4	Very low	83 Å²	83	111.9 Å²	111.9	58%	0.58	63%	0.629	S	S	*	*	H	α-helix	trans	-69.8	-40.2	-179.8	-167	0	0	0	0	112.3	L12 F13 A18 V19 A20	L12-S16 PolarHBondContact O-N 3.31Å; L12-S16 VanDerWaalsContact O-N 3.17Å; F13-S16 PolarHBondContact O-N 3.29Å; S16-A18 VanDerWaalsContact C-N 3.32Å; S16-A18 PolarHBondContact O-N 2.97Å; S16-V19 PolarHBondContact O-N 3.26Å; S16-A20 PolarHBondContact O-N 2.94Å
17	L	37.7	Very low	39.6	Very low	122 Å²	122	118.3 Å²	118.3	64%	0.639	65%	0.646	S	S	*	*	H	α-helix	trans	-64.1	-33.8	172.5	-93.8	147.4	0	0	0	113	F13 A21	F13-L17 PolarHBondContact O-N 3.39Å; L17-A21 PolarHBondContact O-N 3.49Å
18	A	38.5	Very low	38.7	Very low	59 Å²	59	114.4 Å²	114.4	49%	0.488	65%	0.646	S	S	.	*	H	α-helix	trans	-70	-30.3	177.8	0	0	0	0	0	113.4	L14 S15 S16 V22	L14-A18 PolarHBondContact O-N 3.28Å; S15-A18 PolarHBondContact O-N 3.36Å; S16-A18 VanDerWaalsContact C-N 3.32Å; S16-A18 PolarHBondContact O-N 2.97Å; A18-V22 WeakPolarHBondContact O-CG2 3.42Å
19	V	36	Very low	37.7	Very low	102 Å²	102	115.9 Å²	115.9	62%	0.618	66%	0.661	S	S	*	*	H	α-helix	trans	-76.2	-39.8	176.9	174.8	0	0	0	0	111.3	S15 S16 A21 V22	S15-V19 PolarHBondContact O-N 3.34Å; S16-V19 PolarHBondContact O-N 3.26Å; V19-A21 VanDerWaalsContact C-N 3.25Å; V19-A21 PolarHBondContact O-N 2.92Å; V19-V22 PolarHBondContact O-N 3.31Å; V19-V22 VanDerWaalsContact O-N 3.16Å
20	A	34.8	Very low	36.9	Very low	66 Å²	66	117.7 Å²	117.7	55%	0.545	68%	0.676	S	S	.	*	H	α-helix	trans	-60.4	-34.5	176.3	0	0	0	0	0	112.8	S16 V22	S16-A20 PolarHBondContact O-N 2.94Å; A20-V22 VanDerWaalsContact C-N 3.25Å; A20-V22 PolarHBondContact O-N 3.21Å
21	A	34.8	Very low	36	Very low	68 Å²	68	112.9 Å²	112.9	56%	0.562	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-7.2	179.1	0	0	0	0	0	114.9	L17 V19	L17-A21 PolarHBondContact O-N 3.49Å; V19-A21 VanDerWaalsContact C-N 3.25Å; V19-A21 PolarHBondContact O-N 2.92Å
22	V	34.8	Very low	35.1	Very low	117 Å²	117	115.7 Å²	115.7	71%	0.709	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-6.4	-179.1	174.4	0	0	0	0	112.2	A18 V19 A20	A18-V22 WeakPolarHBondContact O-CG2 3.42Å; V19-V22 PolarHBondContact O-N 3.31Å; V19-V22 VanDerWaalsContact O-N 3.16Å; A20-V22 VanDerWaalsContact C-N 3.25Å; A20-V22 PolarHBondContact O-N 3.21Å
23	V	33	Very low	34.3	Very low	121 Å²	121	117.7 Å²	117.7	73%	0.733	71%	0.709	S	S	*	*	S	Bend	trans	-109.2	30.4	-180	-161.2	0	0	0	0	111.2
24	S	32.8	Very low	33.6	Very low	104 Å²	104	117.9 Å²	117.9	73%	0.727	72%	0.716	S	S	*	*	S	Bend	trans	-154.3	46.7	179.4	-65.1	0	0	0	0	111.6
25	S	28.5	Very low	33	Very low	100 Å²	100	118.7 Å²	118.7	70%	0.699	72%	0.721	S	S	*	*			trans	-151.3	53.9	178.4	-60.7	0	0	0	0	111.8	E27	S25-E27 PolarHBondContact O-N 3.26Å
26	D	28	Very low	32.3	Very low	171 Å²	171	127.4 Å²	127.4	91%	0.914	74%	0.744	S	S	*	*			trans	-85.2	94.9	157	-79.1	-58.1	0	0	0	108.3
27	E	31.2	Very low	32	Very low	186 Å²	186	131.6 Å²	131.6	87%	0.869	76%	0.76	S	S	*	*			trans	-91.3	125.7	161.5	-79	-172.6	110.7	0	0	108.9	S25	S25-E27 PolarHBondContact O-N 3.26Å
28	P	31.1	Very low	31.5	Very low	121 Å²	121	129.2 Å²	129.2	79%	0.786	77%	0.765	S	S	*	*			trans	-70.3	146.2	172.5	30.3	-34.2	0	0	0	110.7	E30	P28-E30 PolarHBondContact O-N 3.17Å
29	S	31.1	Very low	31.2	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	78%	0.779	S	S	*	*			trans	-74.8	115.8	-177.6	57.4	0	0	0	0	112.7
30	E	29.4	Very low	30.9	Very low	199 Å²	199	136.8 Å²	136.8	93%	0.93	79%	0.79	S	S	*	*			trans	-84.3	139.4	162.4	-74.7	-161.3	125.4	0	0	112	P28	P28-E30 PolarHBondContact O-N 3.17Å
31	A	29.3	Very low	30.8	Very low	90 Å²	90	144 Å²	144	74%	0.744	80%	0.803	S	S	*	*			trans	-141.6	142.5	162.1	0	0	0	0	0	108.7
32	D	28.6	Very low	30.8	Very low	163 Å²	163	147.5 Å²	147.5	87%	0.872	81%	0.812	S	S	*	*			trans	57.1	107.2	179.7	-65.3	-26.1	0	0	0	117.7
33	V	30.4	Very low	30.9	Very low	149 Å²	149	147.9 Å²	147.9	90%	0.903	81%	0.81	S	S	*	*				-156.7	148	109.5	154.9	0	0	0	0	108.9
34	L	29	Very low	31.3	Very low	145 Å²	145	151.1 Å²	151.1	76%	0.759	82%	0.817	S	S	*	*			trans	-94.8	148.5	-178.7	-81.3	159.9	0	0	0	114.2
35	D	31.6	Very low	31.7	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	82%	0.821	S	S	*	*			trans	40.6	112.3	148.3	-58.4	-15	0	0	0	120.1
36	R	29.2	Very low	32.4	Very low	246 Å²	246	157.3 Å²	157.3	93%	0.928	82%	0.824	S	S	*	*				-163.1	118.5	124	-111.8	171.3	70.8	176.2	0.3	113.8
37	D	31.4	Very low	32.8	Very low	171 Å²	171	156.9 Å²	156.9	91%	0.914	82%	0.818	S	S	*	*			trans	-63.2	149.5	173.9	-60.5	-74.2	0	0	0	113.6
38	G	28.1	Very low	32.9	Very low	73 Å²	73	156.1 Å²	156.1	75%	0.753	82%	0.815	S	S	*	*			trans	-157.1	64.2	178.1	0	0	0	0	0	112.2	M40	G38-M40 PolarHBondContact O-N 3.18Å
39	D	31.8	Very low	33.1	Very low	146 Å²	146	156 Å²	156	78%	0.781	81%	0.811	S	S	*	*			trans	-54	117.2	-179.5	-179.7	16.8	0	0	0	112.6
40	M	29.5	Very low	33.1	Very low	174 Å²	174	157.2 Å²	157.2	86%	0.857	81%	0.807	S	S	*	*			trans	-143.4	106.2	159.9	-128.6	-178.5	-56.8	0	0	110.2	G38	G38-M40 PolarHBondContact O-N 3.18Å
41	R	33.2	Very low	33.3	Very low	217 Å²	217	155.9 Å²	155.9	82%	0.819	80%	0.803	S	S	*	*			trans	-102.7	126.8	-175.6	-179.2	-176.9	-173.5	165.8	2.6	109.6
42	L	34	Very low	33.6	Very low	141 Å²	141	155.4 Å²	155.4	74%	0.738	80%	0.799	S	S	*	*			trans	-131.3	95	177.8	-71.2	173.6	0	0	0	111.3
43	D	38	Very low	33.8	Very low	126 Å²	126	155.6 Å²	155.6	67%	0.674	80%	0.8	S	S	*	*				38.6	114.4	127.5	-56.2	6.2	0	0	0	119.3	E45	D43-E45 PolarHBondContact O-N 3.41Å; D43-E45 VanDerWaalsContact O-N 3.09Å
44	E	41.8	Very low	33.9	Very low	188 Å²	188	156.5 Å²	156.5	88%	0.879	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-6.8	-178	-80.7	172.8	102.3	0	0	116.1
45	E	41.2	Very low	33.9	Very low	175 Å²	175	158.6 Å²	158.6	82%	0.818	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-19.3	-171.6	-66.3	-167.7	156.6	0	0	114.9	D43	D43-E45 PolarHBondContact O-N 3.41Å; D43-E45 VanDerWaalsContact O-N 3.09Å
46	E	42.3	Very low	34.1	Very low	160 Å²	160	161 Å²	161	75%	0.748	81%	0.813	S	S	*	*	G	3₁₀ helix	trans	-77.1	-25.6	173.9	-78.2	-166.2	138.5	0	0	113.2	Q48	E46-Q48 PolarHBondContact O-N 2.97Å
47	M	35.8	Very low	34.1	Very low	161 Å²	161	158.9 Å²	158.9	79%	0.793	81%	0.813	S	S	*	*	G	3₁₀ helix	trans	-69.8	-15.2	-178.4	-164.5	174.3	-68.6	0	0	113.4
48	Q	33.5	Very low	34	Very low	171 Å²	171	159.7 Å²	159.7	80%	0.799	81%	0.811	S	S	*	*	G	3₁₀ helix	trans	-93.6	3.4	-174.5	-164	152.8	86.5	0	0	114.1	E46	E46-Q48 PolarHBondContact O-N 2.97Å
49	V	35.1	Very low	34	Very low	118 Å²	118	161 Å²	161	72%	0.715	82%	0.815	S	S	*	*	S	Bend	trans	-102.6	-9.1	179.4	-172.9	0	0	0	0	112.8
50	L	31.1	Very low	33.7	Very low	151 Å²	151	162.2 Å²	162.2	79%	0.791	82%	0.818	S	S	*	*	S	Bend	trans	-107.8	22.7	-176.5	-64.5	174.6	0	0	0	114
51	M	34.5	Very low	33.6	Very low	170 Å²	170	160 Å²	160	84%	0.837	82%	0.815	S	S	*	*	S	Bend	trans	-136.1	28.7	-173.9	-72.5	-75.6	166.7	0	0	112.4
52	A	36.5	Very low	33.4	Very low	80 Å²	80	155.2 Å²	155.2	66%	0.661	81%	0.809	S	S	*	*	S	Bend	trans	-155.7	58.5	-175	0	0	0	0	0	113
53	D	32.5	Very low	33.1	Very low	167 Å²	167	155.9 Å²	155.9	89%	0.893	81%	0.814	S	S	*	*			trans	-164.1	72.6	160.3	-94.9	-29.9	0	0	0	108.1
54	D	32	Very low	32.8	Very low	168 Å²	168	159.1 Å²	159.1	90%	0.898	83%	0.825	S	S	*	*			trans	-155.5	60	179.3	-118.7	-23.8	0	0	0	110
55	E	29.6	Very low	32.2	Very low	190 Å²	190	159.2 Å²	159.2	89%	0.888	83%	0.825	S	S	*	*			trans	-124.5	115.6	172.7	-75.4	-168.1	153.2	0	0	111.5
56	E	34.5	Very low	31.6	Very low	189 Å²	189	159.9 Å²	159.9	88%	0.883	83%	0.828	S	S	*	*			trans	23.8	106.3	152.9	-58	-179.6	168.8	0	0	120
57	E	30.1	Very low	30.9	Very low	201 Å²	201	159.7 Å²	159.7	94%	0.939	83%	0.825	S	S	*	*			trans	-112.1	98.2	144.6	-78.7	-150.6	150.7	0	0	110.9
58	E	29.5	Very low	30.5	Very low	187 Å²	187	159.9 Å²	159.9	87%	0.874	83%	0.829	S	S	*	*			trans	-76.5	124.9	158.2	-74.6	-160.3	147.6	0	0	109.7	M60	E58-M60 PolarHBondContact O-N 3.24Å
59	A	28.7	Very low	30.3	Very low	101 Å²	101	159.2 Å²	159.2	84%	0.835	83%	0.826	S	S	*	*			trans	-72.4	85.5	-178.4	0	0	0	0	0	112.6	V61	A59-V61 PolarHBondContact O-N 2.94Å; A59-V61 VanDerWaalsContact O-N 3.15Å
60	M	24.5	Very low	30	Very low	171 Å²	171	159.5 Å²	159.5	84%	0.842	82%	0.824	S	S	*	*			trans	-70.1	103.9	173.7	-179	174.8	-79.7	0	0	111.1	E58	E58-M60 PolarHBondContact O-N 3.24Å
61	V	27.4	Very low	29.9	Very low	129 Å²	129	159.2 Å²	159.2	78%	0.782	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71.6	126.3	172.4	179.5	0	0	0	0	110.1	A59	A59-V61 PolarHBondContact O-N 2.94Å; A59-V61 VanDerWaalsContact O-N 3.15Å
62	T	28.7	Very low	29.6	Very low	116 Å²	116	158.7 Å²	158.7	71%	0.712	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-102.8	118.5	175	53.5	0	0	0	0	111.3
63	D	27.5	Very low	29.1	Very low	154 Å²	154	158.8 Å²	158.8	82%	0.824	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-69.7	132.9	164.8	-66.1	-61.1	0	0	0	110.8
64	E	31.9	Very low	28.8	Very low	194 Å²	194	158.2 Å²	158.2	91%	0.907	82%	0.823	S	S	*	*			trans	-115.3	115.3	154.1	-80	-158.9	129.8	0	0	109
65	E	30	Very low	28.6	Very low	190 Å²	190	159.2 Å²	159.2	89%	0.888	82%	0.822	S	S	*	*			trans	-68.8	133.4	173.3	-59.8	-179.5	139.2	0	0	110.5
66	Q	28	Very low	28.7	Very low	190 Å²	190	160 Å²	160	89%	0.888	82%	0.823	S	S	*	*			trans	-124.3	129	152.5	-168.6	161.6	-3.1	0	0	110.9
67	F	26.9	Very low	28.3	Very low	156 Å²	156	156.4 Å²	156.4	68%	0.684	82%	0.818	S	S	*	*			trans	-101.7	127.6	-161.3	-167.2	-85.9	0	0	0	110.9	E69	F67-E69 HydrophobicContact CD1-CG 4.39Å; F67-E69 HydrophobicContact CE1-CG 3.59Å; F67-E69 HydrophobicContact CZ-CG 4.04Å
68	D	28.6	Very low	28.2	Very low	164 Å²	164	155.6 Å²	155.6	88%	0.877	81%	0.814	S	S	*	*			trans	-147.8	127.4	163.6	-100.6	-41.8	0	0	0	109.4
69	E	28.6	Very low	28.2	Very low	158 Å²	158	152.9 Å²	152.9	74%	0.738	81%	0.811	S	S	*	*			trans	-95.6	129.9	-178.7	-66.2	172.3	98	0	0	111.6	F67	F67-E69 HydrophobicContact CD1-CG 4.39Å; F67-E69 HydrophobicContact CE1-CG 3.59Å; F67-E69 HydrophobicContact CZ-CG 4.04Å
70	D	28	Very low	28.3	Very low	124 Å²	124	155.6 Å²	155.6	66%	0.663	81%	0.811	S	S	*	*				-175.2	130.9	120.3	-115.3	-17.3	0	0	0	116.2
71	K	30	Very low	28.7	Very low	145 Å²	145	153.2 Å²	153.2	63%	0.63	81%	0.807	S	S	*	*			trans	68.5	112.2	143.6	-69.2	171.4	-178.8	68.5	0	123.3
72	D	27.6	Very low	29.2	Very low	158 Å²	158	153.5 Å²	153.5	85%	0.845	80%	0.804	S	S	*	*				57.6	105.7	121.6	-55.3	-35	0	0	0	120.6
73	G	27.4	Very low	29.4	Very low	83 Å²	83	153 Å²	153	86%	0.856	80%	0.801	S	S	*	*			trans	-167.9	105.3	163.3	0	0	0	0	0	112
74	D	25.8	Very low	29.9	Very low	155 Å²	155	149.8 Å²	149.8	83%	0.829	79%	0.786	S	S	*	*			trans	-89.9	126.3	-178.5	-169	1.3	0	0	0	110.6
75	E	27.7	Very low	30.4	Very low	189 Å²	189	149.7 Å²	149.7	88%	0.883	78%	0.783	S	S	*	*			trans	-178.6	170.9	132.5	-102.8	179.9	171.5	0	0	112.8
76	K	32.2	Very low	31.5	Very low	207 Å²	207	147.9 Å²	147.9	90%	0.9	78%	0.775	S	S	*	*			trans	-99.7	146.3	-176.2	-54.7	169.6	-176.4	170.8	0	112
77	S	25.3	Very low	33.1	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	75%	0.753	S	S	*	*			trans	-148.1	150.2	150.8	60.9	0	0	0	0	112.4
78	E	28.4	Very low	34.9	Very low	183 Å²	183	140 Å²	140	86%	0.855	75%	0.753	S	S	*	*			trans	-56.8	150.4	-170.4	-68.4	128.5	151.4	0	0	116.4	D80	E78-D80 PolarHBondContact O-N 2.85Å
79	T	29	Very low	37.3	Very low	131 Å²	131	133.1 Å²	133.1	80%	0.804	72%	0.715	S	S	*	*			trans	-85.7	84.9	172.9	51.2	0	0	0	0	111.3
80	D	31.1	Very low	39.8	Very low	158 Å²	158	133.4 Å²	133.4	85%	0.845	71%	0.713	S	S	*	*			trans	-92.4	97.4	164.3	-99.3	-29.8	0	0	0	110.1	E78	E78-D80 PolarHBondContact O-N 2.85Å
81	T	33.4	Very low	42.3	Very low	121 Å²	121	131 Å²	131	74%	0.742	70%	0.703	S	S	*	*			trans	-105.2	63.5	176.8	57.3	0	0	0	0	112	V83	T81-V83 VanDerWaalsContact C-N 3.34Å; T81-V83 PolarHBondContact O-N 3.31Å
82	N	37.3	Very low	44.7	Very low	135 Å²	135	124.6 Å²	124.6	72%	0.722	68%	0.676	S	S	*	*			trans	-83.7	81.8	160.5	-174.9	7.9	0	0	0	109.2	T84	N82-T84 VanDerWaalsContact C-N 3.28Å; N82-T84 PolarHBondContact O-N 2.91Å
83	V	33.1	Very low	47.4	Very low	106 Å²	106	122.4 Å²	122.4	64%	0.642	67%	0.669	S	S	*	*			trans	-75.6	82.7	179.7	-174.4	0	0	0	0	109.6	T81 F85	T81-V83 VanDerWaalsContact C-N 3.34Å; T81-V83 PolarHBondContact O-N 3.31Å; V83-F85 HydrophobicContact CG1-CE2 4.48Å; V83-F85 PolarHBondContact O-N 3.19Å
84	T	36.9	Very low	49.8	Very low	86 Å²	86	120.4 Å²	120.4	53%	0.528	64%	0.644	S	S	.	*			trans	-69.3	115.8	168.3	48	0	0	0	0	109.3	N82 Q86	N82-T84 VanDerWaalsContact C-N 3.28Å; N82-T84 PolarHBondContact O-N 2.91Å; T84-Q86 VanDerWaalsContact C-N 3.26Å; T84-Q86 PolarHBondContact O-N 3.1Å
85	F	42.6	Very low	52.2	Low	191 Å²	191	117.9 Å²	117.9	84%	0.838	63%	0.634	S	S	*	*			trans	-70.5	82	174.3	-84.2	-96.6	0	0	0	110.1	V83 V87	V83-F85 HydrophobicContact CG1-CE2 4.48Å; V83-F85 PolarHBondContact O-N 3.19Å; F85-V87 VanDerWaalsContact C-N 3.34Å; F85-V87 PolarHBondContact O-N 3.47Å
86	Q	53.3	Low	54.8	Low	152 Å²	152	111.6 Å²	111.6	71%	0.71	62%	0.62	S	S	*	*			trans	-73.9	88.5	172.1	-67.7	-170.2	-4.2	0	0	109.8	T84 T88	T84-Q86 VanDerWaalsContact C-N 3.26Å; T84-Q86 PolarHBondContact O-N 3.1Å; Q86-T88 PolarHBondContact O-N 2.91Å; Q86-T88 PolarHBondContact O-OG1 3.48Å
87	V	62.2	Low	57.3	Low	70 Å²	70	106.2 Å²	106.2	42%	0.424	60%	0.601	S	S	.	*			trans	-54.6	107	169.7	179.4	0	0	0	0	108	F85 Y89 L486	F85-V87 VanDerWaalsContact C-N 3.34Å; F85-V87 PolarHBondContact O-N 3.47Å; V87-Y89 PolarHBondContact O-N 2.87Å; V87-L486 HydrophobicContact CG1-CD2 4.27Å
88	T	65.1	Low	60.5	Low	112 Å²	112	101.7 Å²	101.7	69%	0.687	57%	0.568	S	S	*	*			trans	-84.8	99.1	-177.1	-56.4	0	0	0	0	108.6	Q86	Q86-T88 PolarHBondContact O-N 2.91Å; Q86-T88 PolarHBondContact O-OG1 3.48Å
89	Y	78.4	Confident	63.5	Low	19 Å²	19	94.1 Å²	94.1	8%	0.075	53%	0.532	C	S	.	.			trans	-60.5	151.7	173.9	169.8	-102.3	0	0	0	111.5	V87 P92 D105 V143 D146 L486	V87-Y89 PolarHBondContact O-N 2.87Å; Y89-P92 WeakPolarHBondContact OH-CD 3.32Å; Y89-D105 VanDerWaalsContact CE1-OD1 3.23Å; Y89-D105 WeakPolarHBondContact CE1-OD1 3.47Å; Y89-D105 PolarHBondContact OH-OD1 3.35Å; Y89-D105 PolarHBondContact OH-OD2 2.83Å; Y89-V143 VanDerWaalsContact CB-CG1 3.45Å; Y89-V143 HydrophobicContact CD2-CG1 4.21Å; Y89-V143 HydrophobicContact CG-CG1 3.91Å; Y89-D146 HydrophobicContact CD1-CB 4.31Å; Y89-D146 HydrophobicContact CE1-CB 4.24Å; Y89-L486 HydrophobicContact CD2-CD1 4.22Å
90	K	80.3	Confident	66.7	Low	164 Å²	164	87.9 Å²	87.9	71%	0.713	49%	0.494	S	S	*	.			trans	-141	128.4	176.3	-64.2	173.9	-175.2	167.8	0	106.6	P92	K90-P92 VanDerWaalsContact O-N 3.15Å
91	T	81.1	Confident	69.6	Low	73 Å²	73	81.5 Å²	81.5	45%	0.448	46%	0.463	S	S	.	.			trans	-44.3	119.1	171.1	-59.9	0	0	0	0	110.5	D105	T91-D105 WeakPolarHBondContact CA-OD2 3.27Å; T91-D105 WeakPolarHBondContact CB-OD2 3.37Å; T91-D105 WeakPolarHBondContact CG2-OD2 3.45Å; T91-D105 WeakPolarHBondContact OG1-CB 3.39Å; T91-D105 VanDerWaalsContact OG1-CG 3.3Å; T91-D105 PolarHBondContact OG1-OD2 3.46Å
92	P	81.4	Confident	72.5	Confident	10 Å²	10	77 Å²	77	7%	0.065	43%	0.434	C	S	.	.			trans	-64.2	145.8	177.8	27.1	-35.3	0	0	0	110.4	Y89 K90 T103 W479 D482	Y89-P92 WeakPolarHBondContact OH-CD 3.32Å; K90-P92 VanDerWaalsContact O-N 3.15Å; P92-T103 HydrophobicContact CG-CG2 3.93Å; P92-W479 HydrophobicContact CB-CD2 4.18Å; P92-W479 HydrophobicContact CB-CE3 3.76Å; P92-W479 HydrophobicContact CB-CH2 4.25Å; P92-W479 HydrophobicContact CB-CZ3 3.78Å; P92-W479 HydrophobicContact CG-CD2 4.17Å; P92-W479 HydrophobicContact CG-CE3 4.06Å; P92-W479 HydrophobicContact CG-CH2 3.77Å; P92-W479 HydrophobicContact CG-CZ2 3.9Å; P92-W479 HydrophobicContact CG-CZ3 3.84Å; P92-W479 VanDerWaalsContact O-CZ3 3.29Å; P92-W479 WeakPolarHBondContact O-CZ3 3.21Å; P92-D482 HydrophobicContact CB-CB 4.06Å
93	V	82.8	Confident	75	Confident	113 Å²	113	71.3 Å²	71.3	69%	0.685	40%	0.403	S	S	*	.			trans	-111.5	115.5	-176.4	-179.2	0	0	0	0	110	T95	V93-T95 PolarHBondContact O-N 3.24Å; V93-T95 PolarHBondContact O-OG1 2.73Å
94	A	78.4	Confident	77.7	Confident	41 Å²	41	66.3 Å²	66.3	34%	0.339	37%	0.373	S	S	.	.			trans	-57.2	107.9	-176.1	0	0	0	0	0	111.3	V98 A101 W479	A94-V98 HydrophobicContact CB-CB 4.46Å; A94-V98 HydrophobicContact CB-CG1 4.4Å; A94-V98 HydrophobicContact CB-CG2 4.19Å; A94-A101 HydrophobicContact CB-CB 4.09Å; A94-W479 HydrophobicContact CB-CZ3 4.04Å
95	T	77.4	Confident	80	Confident	102 Å²	102	63.6 Å²	63.6	63%	0.626	36%	0.356	S	S	*	.			trans	-110.7	90.3	-170.5	-63.5	0	0	0	0	110.7	V93 V475	V93-T95 PolarHBondContact O-N 3.24Å; V93-T95 PolarHBondContact O-OG1 2.73Å; T95-V475 WeakPolarHBondContact O-CG2 3.47Å
96	G	80.9	Confident	81.9	Confident	56 Å²	56	59.9 Å²	59.9	58%	0.577	34%	0.344	S	S	*	.	S	Bend	trans	144.8	-164.9	179.1	0	0	0	0	0	112.1	V98	G96-V98 PolarHBondContact O-N 2.73Å
97	D	84.7	Confident	83.2	Confident	94 Å²	94	54.6 Å²	54.6	50%	0.503	33%	0.331	S	S	.	.	S	Bend	trans	-79.7	112.6	167.8	-99.7	-64.9	0	0	0	110.3	K166 T470	D97-K166 IonicContact OD1-NZ 2.65Å; D97-K166 PolarHBondContact OD1-NZ 3Å; D97-T470 PolarHBondContact O-OG1 2.85Å
98	V	92.1	Very high	84.2	Confident	18 Å²	18	52.9 Å²	52.9	11%	0.109	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.4	-176.5	177.5	0	0	0	0	108.1	A94 G96 F100 A101 I468 I469 V475	A94-V98 HydrophobicContact CB-CB 4.46Å; A94-V98 HydrophobicContact CB-CG1 4.4Å; A94-V98 HydrophobicContact CB-CG2 4.19Å; G96-V98 PolarHBondContact O-N 2.73Å; V98-F100 WeakPolarHBondContact CG1-O 3.46Å; V98-A101 HydrophobicContact CG1-CB 4.09Å; V98-I468 HydrophobicContact CG1-CD1 4.49Å; V98-I468 HydrophobicContact CG1-CG1 4.1Å; V98-I468 HydrophobicContact CG2-CD1 4.44Å; V98-I469 WeakPolarHBondContact CG1-O 3.32Å; V98-V475 HydrophobicContact CG2-CG1 3.99Å
99	Y	93	Very high	85.3	Confident	25 Å²	25	50 Å²	50	10%	0.098	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-25.5	-176.9	-58.6	-101.9	0	0	0	112	L164 D165 K166 F168 E173 I469 S471	Y99-L164 WeakPolarHBondContact O-CB 3.47Å; Y99-D165 PolarHBondContact O-N 3.2Å; Y99-K166 HydrophobicContact CD1-CB 3.86Å; Y99-K166 HydrophobicContact CE1-CB 4.43Å; Y99-F168 HydrophobicContact CD1-CB 4.2Å; Y99-F168 AromaticContact CD1-CD2 3.93Å; Y99-F168 HydrophobicContact CD1-CD2 3.93Å; Y99-F168 AromaticContact CD2-CD2 3.92Å; Y99-F168 HydrophobicContact CD2-CD2 3.92Å; Y99-F168 HydrophobicContact CD2-CE2 4.43Å; Y99-F168 HydrophobicContact CE1-CB 4.45Å; Y99-F168 AromaticContact CE1-CD2 3.7Å; Y99-F168 HydrophobicContact CE1-CD2 3.7Å; Y99-F168 HydrophobicContact CE1-CE2 4.42Å; Y99-F168 HydrophobicContact CE1-CG 4.48Å; Y99-F168 AromaticContact CE2-CD2 3.7Å; Y99-F168 HydrophobicContact CE2-CD2 3.7Å; Y99-F168 AromaticContact CE2-CE2 3.89Å; Y99-F168 HydrophobicContact CE2-CE2 3.89Å; Y99-F168 HydrophobicContact CG-CD2 4.06Å; Y99-F168 AromaticContact CZ-CD2 3.59Å; Y99-F168 AromaticContact CZ-CE2 3.89Å; Y99-E173 PolarHBondContact OH-OE2 3.3Å; Y99-I469 HydrophobicContact CD2-CG2 4.48Å; Y99-I469 PolarHBondContact N-O 3.47Å; Y99-S471 WeakPolarHBondContact CE2-OG 3.23Å; Y99-S471 PolarHBondContact OH-OG 3.46Å; Y99-S471 VanDerWaalsContact OH-OG 3.09Å
100	F	94.6	Very high	85.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	137.2	173.8	-164.1	-105.7	0	0	0	108.8	V98 E102 R111 W112 A162 L164 F467 I468 I469	V98-F100 WeakPolarHBondContact CG1-O 3.46Å; F100-E102 HydrophobicContact CD1-CB 4.46Å; F100-E102 HydrophobicContact CE1-CB 3.69Å; F100-E102 HydrophobicContact CZ-CB 4.07Å; F100-R111 VanDerWaalsContact CE2-CZ 3.47Å; F100-W112 HydrophobicContact CE1-CZ2 4.11Å; F100-W112 AromaticContact CZ-CZ2 3.83Å; F100-W112 HydrophobicContact CZ-CZ2 3.83Å; F100-A162 HydrophobicContact CE2-CB 3.78Å; F100-A162 HydrophobicContact CZ-CB 3.8Å; F100-L164 HydrophobicContact CB-CD1 4.46Å; F100-L164 HydrophobicContact CB-CG 4.18Å; F100-L164 HydrophobicContact CD2-CD1 4.25Å; F100-L164 HydrophobicContact CD2-CG 4.44Å; F100-F467 HydrophobicContact CD1-CB 3.95Å; F100-F467 HydrophobicContact CE1-CB 3.73Å; F100-F467 HydrophobicContact CE1-CG 4.42Å; F100-I468 WeakPolarHBondContact O-CA 3.36Å; F100-I469 HydrophobicContact CB-CB 3.97Å; F100-I469 HydrophobicContact CB-CD1 3.92Å; F100-I469 HydrophobicContact CB-CG1 3.91Å; F100-I469 PolarHBondContact O-N 3.01Å
101	A	93.6	Very high	86	Confident	23 Å²	23	52.1 Å²	52.1	19%	0.19	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.4	165.1	0	0	0	0	0	107.7	A94 V98 R111 F467 W479	A94-A101 HydrophobicContact CB-CB 4.09Å; V98-A101 HydrophobicContact CG1-CB 4.09Å; A101-R111 PolarHBondContact O-NH1 3.41Å; A101-F467 CarbonylContact C-O 3.59Å; A101-F467 VanDerWaalsContact CA-O 3.26Å; A101-F467 WeakPolarHBondContact CA-O 3.39Å; A101-W479 HydrophobicContact CB-CH2 4Å; A101-W479 HydrophobicContact CB-CZ2 4.39Å
102	E	92.8	Very high	86.5	Confident	28 Å²	28	49 Å²	49	13%	0.131	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	133.3	178.8	-171.4	69.3	-84.5	0	0	110.8	F100 F104 R111 W112 N466 F467	F100-E102 HydrophobicContact CD1-CB 4.46Å; F100-E102 HydrophobicContact CE1-CB 3.69Å; F100-E102 HydrophobicContact CZ-CB 4.07Å; E102-F104 HydrophobicContact CG-CD1 4.09Å; E102-F104 HydrophobicContact CG-CD2 4.13Å; E102-F104 HydrophobicContact CG-CE1 3.72Å; E102-F104 HydrophobicContact CG-CE2 3.76Å; E102-F104 HydrophobicContact CG-CG 4.29Å; E102-F104 HydrophobicContact CG-CZ 3.54Å; E102-R111 WeakPolarHBondContact OE2-CD 3.47Å; E102-R111 IonicContact OE2-NH1 3.62Å; E102-W112 HydrophobicContact CG-CZ2 4.13Å; E102-W112 PolarHBondContact OE2-NE1 2.93Å; E102-N466 CarbonylContact O-C 3.53Å; E102-N466 VanDerWaalsContact O-CA 3.3Å; E102-N466 WeakPolarHBondContact O-CA 3.3Å; E102-N466 PolarHBondContact O-N 3Å; E102-F467 HydrophobicContact CB-CB 4.25Å; E102-F467 HydrophobicContact CB-CD2 4.43Å; E102-F467 PolarHBondContact N-O 3.39Å; E102-F467 PolarHBondContact O-N 2.98Å
103	T	90.1	Very high	87	Confident	14 Å²	14	52.3 Å²	52.3	9%	0.086	31%	0.311	C	S	.	.			trans	-131.7	-5.6	179.5	67.2	0	0	0	0	113.8	P92 D105 Q147 D465 N466 W479	P92-T103 HydrophobicContact CG-CG2 3.93Å; T103-D105 VanDerWaalsContact CB-OD2 3.32Å; T103-D105 WeakPolarHBondContact CB-OD2 3.36Å; T103-D105 PolarHBondContact O-N 3.26Å; T103-D105 VanDerWaalsContact OG1-CG 3.22Å; T103-D105 PolarHBondContact OG1-OD2 3.37Å; T103-Q147 VanDerWaalsContact O-O 3.08Å; T103-D465 WeakPolarHBondContact CA-OD1 3.25Å; T103-N466 WeakPolarHBondContact CG2-OD1 3.31Å; T103-W479 HydrophobicContact CG2-CH2 3.58Å; T103-W479 HydrophobicContact CG2-CZ2 3.42Å; T103-W479 VanDerWaalsContact CG2-CZ2 3.42Å
104	F	90.7	Very high	87.3	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	30%	0.3	C	S	.	.			trans	53.7	8.2	-178.5	-48.9	-82.2	0	0	0	116.9	E102 D106 G107 L109 W112 V135 L149 F467	E102-F104 HydrophobicContact CG-CD1 4.09Å; E102-F104 HydrophobicContact CG-CD2 4.13Å; E102-F104 HydrophobicContact CG-CE1 3.72Å; E102-F104 HydrophobicContact CG-CE2 3.76Å; E102-F104 HydrophobicContact CG-CG 4.29Å; E102-F104 HydrophobicContact CG-CZ 3.54Å; F104-D106 PolarHBondContact O-N 2.97Å; F104-G107 PolarHBondContact O-N 2.96Å; F104-L109 HydrophobicContact CD1-CD2 4.22Å; F104-L109 HydrophobicContact CE1-CD2 4.15Å; F104-W112 AromaticContact CE1-CD1 3.82Å; F104-W112 HydrophobicContact CE1-CD2 4.39Å; F104-W112 AromaticContact CE1-CE2 3.75Å; F104-W112 HydrophobicContact CE1-CG 4.43Å; F104-W112 HydrophobicContact CE1-CZ2 4.17Å; F104-W112 AromaticContact CE1-NE1 3.43Å; F104-W112 AromaticContact CZ-CE2 3.73Å; F104-W112 HydrophobicContact CZ-CH2 4.43Å; F104-W112 AromaticContact CZ-CZ2 3.65Å; F104-W112 HydrophobicContact CZ-CZ2 3.65Å; F104-W112 AromaticContact CZ-NE1 3.81Å; F104-V135 HydrophobicContact CB-CG1 3.88Å; F104-V135 HydrophobicContact CB-CG2 4.43Å; F104-V135 HydrophobicContact CD1-CG2 4.2Å; F104-L149 HydrophobicContact CD1-CB 4.37Å; F104-L149 HydrophobicContact CD2-CB 4.25Å; F104-L149 HydrophobicContact CE1-CB 3.87Å; F104-L149 HydrophobicContact CE1-CD2 4.4Å; F104-L149 HydrophobicContact CE2-CB 3.74Å; F104-L149 HydrophobicContact CZ-CB 3.53Å; F104-L149 HydrophobicContact CZ-CD2 3.99Å; F104-L149 HydrophobicContact CZ-CG 4.32Å; F104-F467 AromaticContact CE2-CD2 3.84Å; F104-F467 HydrophobicContact CE2-CD2 3.84Å; F104-F467 AromaticContact CE2-CE2 3.76Å; F104-F467 HydrophobicContact CE2-CE2 3.76Å; F104-F467 HydrophobicContact CZ-CD2 4.05Å; F104-F467 AromaticContact CZ-CE2 3.85Å; F104-F467 HydrophobicContact CZ-CE2 3.85Å
105	D	85.7	Confident	87.8	Confident	29 Å²	29	48.6 Å²	48.6	16%	0.155	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.5	-178.4	-58.8	-44.3	0	0	0	113.7	Y89 T91 T103	Y89-D105 VanDerWaalsContact CE1-OD1 3.23Å; Y89-D105 WeakPolarHBondContact CE1-OD1 3.47Å; Y89-D105 PolarHBondContact OH-OD1 3.35Å; Y89-D105 PolarHBondContact OH-OD2 2.83Å; T91-D105 WeakPolarHBondContact CA-OD2 3.27Å; T91-D105 WeakPolarHBondContact CB-OD2 3.37Å; T91-D105 WeakPolarHBondContact CG2-OD2 3.45Å; T91-D105 WeakPolarHBondContact OG1-CB 3.39Å; T91-D105 VanDerWaalsContact OG1-CG 3.3Å; T91-D105 PolarHBondContact OG1-OD2 3.46Å; T103-D105 VanDerWaalsContact CB-OD2 3.32Å; T103-D105 WeakPolarHBondContact CB-OD2 3.36Å; T103-D105 PolarHBondContact O-N 3.26Å; T103-D105 VanDerWaalsContact OG1-CG 3.22Å; T103-D105 PolarHBondContact OG1-OD2 3.37Å
106	D	82.4	Confident	88	Confident	113 Å²	113	51 Å²	51	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.2	173.6	77.9	-23.1	0	0	0	113	F104 S108	F104-D106 PolarHBondContact O-N 2.97Å; D106-S108 PolarHBondContact O-N 3.25Å; D106-S108 PolarHBondContact OD1-N 3.26Å; D106-S108 PolarHBondContact OD1-OG 3.47Å; D106-S108 WeakPolarHBondContact OD2-CB 3.48Å; D106-S108 PolarHBondContact OD2-OG 3.36Å
107	G	79.8	Confident	87.7	Confident	41 Å²	41	50.2 Å²	50.2	42%	0.423	27%	0.273	S	S	.	.			trans	70.2	12.6	-176.5	0	0	0	0	0	114.2	F104	F104-G107 PolarHBondContact O-N 2.96Å
108	S	83.9	Confident	86.9	Confident	33 Å²	33	49.1 Å²	49.1	23%	0.231	27%	0.269	C	S	.	.			trans	-106.3	166.7	-173.5	99.7	0	0	0	0	113.3	D106 D110	D106-S108 PolarHBondContact O-N 3.25Å; D106-S108 PolarHBondContact OD1-N 3.26Å; D106-S108 PolarHBondContact OD1-OG 3.47Å; D106-S108 WeakPolarHBondContact OD2-CB 3.48Å; D106-S108 PolarHBondContact OD2-OG 3.36Å; S108-D110 PolarHBondContact OG-N 3.32Å
109	L	86.4	Confident	85.5	Confident	51 Å²	51	51 Å²	51	27%	0.267	28%	0.276	S	S	.	.			trans	-125.2	20.6	169	-70	174.8	0	0	0	110.8	F104 R111 W112 V135 L149	F104-L109 HydrophobicContact CD1-CD2 4.22Å; F104-L109 HydrophobicContact CE1-CD2 4.15Å; L109-R111 PolarHBondContact O-N 3.38Å; L109-R111 VanDerWaalsContact O-N 3.13Å; L109-W112 HydrophobicContact CD2-CB 4.39Å; L109-W112 PolarHBondContact O-N 3.17Å; L109-W112 VanDerWaalsContact O-O 3.04Å; L109-V135 HydrophobicContact CD1-CG2 4.25Å; L109-V135 HydrophobicContact CD2-CG2 3.47Å; L109-V135 VanDerWaalsContact CD2-CG2 3.47Å; L109-V135 HydrophobicContact CG-CG2 3.67Å; L109-L149 HydrophobicContact CD2-CD1 3.84Å
110	D	84.9	Confident	83.7	Confident	158 Å²	158	57.6 Å²	57.6	85%	0.845	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.1	-170.1	-80.3	12.1	0	0	0	113	S108	S108-D110 PolarHBondContact OG-N 3.32Å
111	R	89.2	Confident	81.9	Confident	70 Å²	70	62.8 Å²	62.8	26%	0.264	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-23.8	172.6	-162	-171.4	-169.9	157.7	4.3	113.5	F100 A101 E102 L109 A162 D165	F100-R111 VanDerWaalsContact CE2-CZ 3.47Å; A101-R111 PolarHBondContact O-NH1 3.41Å; E102-R111 WeakPolarHBondContact OE2-CD 3.47Å; E102-R111 IonicContact OE2-NH1 3.62Å; L109-R111 PolarHBondContact O-N 3.38Å; L109-R111 VanDerWaalsContact O-N 3.13Å; R111-A162 HydrophobicContact CG-CB 4.23Å; R111-D165 IonicContact CZ-OD1 2.65Å; R111-D165 IonicContact CZ-OD2 3.5Å; R111-D165 IonicContact NH2-OD1 2.66Å; R111-D165 PolarHBondContact NH2-OD1 2.88Å; R111-D165 IonicContact NH2-OD2 3.82Å; R111-D165 PolarHBondContact NH2-OD2 2.79Å
112	W	92	Very high	80.2	Confident	9 Å²	9	63.7 Å²	63.7	3%	0.034	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.4	-167.5	-71.2	79.5	0	0	0	112	F100 E102 F104 L109 P114 L149 I160 A162 L451 L453 F467	F100-W112 HydrophobicContact CE1-CZ2 4.11Å; F100-W112 AromaticContact CZ-CZ2 3.83Å; F100-W112 HydrophobicContact CZ-CZ2 3.83Å; E102-W112 HydrophobicContact CG-CZ2 4.13Å; E102-W112 PolarHBondContact OE2-NE1 2.93Å; F104-W112 AromaticContact CE1-CD1 3.82Å; F104-W112 HydrophobicContact CE1-CD2 4.39Å; F104-W112 AromaticContact CE1-CE2 3.75Å; F104-W112 HydrophobicContact CE1-CG 4.43Å; F104-W112 HydrophobicContact CE1-CZ2 4.17Å; F104-W112 AromaticContact CE1-NE1 3.43Å; F104-W112 AromaticContact CZ-CE2 3.73Å; F104-W112 HydrophobicContact CZ-CH2 4.43Å; F104-W112 AromaticContact CZ-CZ2 3.65Å; F104-W112 HydrophobicContact CZ-CZ2 3.65Å; F104-W112 AromaticContact CZ-NE1 3.81Å; L109-W112 HydrophobicContact CD2-CB 4.39Å; L109-W112 PolarHBondContact O-N 3.17Å; L109-W112 VanDerWaalsContact O-O 3.04Å; W112-P114 WeakPolarHBondContact O-CD 3.26Å; W112-L149 HydrophobicContact CE3-CD2 4.41Å; W112-L149 HydrophobicContact CH2-CD2 4.41Å; W112-L149 HydrophobicContact CZ3-CD2 4.23Å; W112-I160 HydrophobicContact CB-CD1 3.74Å; W112-I160 HydrophobicContact CB-CG1 4Å; W112-I160 HydrophobicContact CE3-CD1 4.31Å; W112-I160 HydrophobicContact CE3-CG1 4.08Å; W112-I160 HydrophobicContact CE3-CG2 3.97Å; W112-I160 HydrophobicContact CZ3-CG2 4.18Å; W112-A162 HydrophobicContact CD2-CB 3.7Å; W112-A162 HydrophobicContact CE3-CB 4.04Å; W112-A162 HydrophobicContact CG-CB 4.03Å; W112-A162 HydrophobicContact CZ2-CB 4.3Å; W112-L451 HydrophobicContact CH2-CD2 3.46Å; W112-L451 VanDerWaalsContact CH2-CD2 3.46Å; W112-L451 HydrophobicContact CZ2-CD2 4.42Å; W112-L451 HydrophobicContact CZ3-CD2 3.89Å; W112-L453 HydrophobicContact CH2-CD1 4.3Å; W112-L453 HydrophobicContact CZ3-CD1 3.98Å; W112-L453 HydrophobicContact CZ3-CG 4.5Å; W112-F467 HydrophobicContact CH2-CD2 4.13Å; W112-F467 AromaticContact CH2-CE2 3.86Å; W112-F467 HydrophobicContact CH2-CE2 3.86Å; W112-F467 HydrophobicContact CH2-CZ 4.18Å; W112-F467 AromaticContact CZ2-CD2 3.96Å; W112-F467 HydrophobicContact CZ2-CD2 3.96Å; W112-F467 HydrophobicContact CZ2-CE2 4.03Å
113	Q	91.4	Very high	78.5	Confident	78 Å²	78	68.5 Å²	68.5	36%	0.364	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.7	-178	-71.2	167.9	49.4	0	0	109.7	A161 L205	Q113-A161 PolarHBondContact N-O 3.32Å; Q113-A161 PolarHBondContact O-N 3Å; Q113-L205 HydrophobicContact CB-CB 3.91Å; Q113-L205 HydrophobicContact CB-CD1 4.35Å
114	P	89.9	Confident	76.9	Confident	68 Å²	68	73.7 Å²	73.7	44%	0.442	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	143.2	170.9	29.1	-33.7	0	0	0	110	W112 A159 I160	W112-P114 WeakPolarHBondContact O-CD 3.26Å; P114-A159 WeakPolarHBondContact CA-O 3.44Å; P114-I160 HydrophobicContact CB-CG1 4.41Å
115	S	87.8	Confident	75.2	Confident	8 Å²	8	82.2 Å²	82.2	6%	0.056	44%	0.436	C	S	.	.			trans	-65.2	150.2	174.6	-169	0	0	0	0	111.1	T117 A159 E206 F208	S115-T117 WeakPolarHBondContact OG-CG2 3.45Å; S115-T117 PolarHBondContact OG-N 3.3Å; S115-A159 PolarHBondContact N-O 3.28Å; S115-E206 PolarHBondContact OG-O 3.24Å; S115-F208 VanDerWaalsContact CB-O 3.24Å; S115-F208 WeakPolarHBondContact CB-O 3.29Å; S115-F208 PolarHBondContact OG-N 3.04Å; S115-F208 PolarHBondContact OG-O 2.93Å
116	K	82.3	Confident	73.9	Confident	152 Å²	152	85.5 Å²	85.5	66%	0.661	45%	0.453	S	S	*	.			trans	-117.6	6.2	175.8	-62.8	172	-174.5	169.9	0	111.7	E206	K116-E206 HydrophobicContact CD-CB 4.5Å; K116-E206 PolarHBondContact N-O 2.93Å; K116-E206 IonicContact NZ-OE1 3.63Å; K116-E206 PolarHBondContact NZ-OE1 2.92Å
117	T	74.1	Confident	72.8	Confident	41 Å²	41	80.5 Å²	80.5	25%	0.252	43%	0.428	S	S	.	.			trans	-90.8	171.7	-173.1	-152.4	0	0	0	0	112.9	S115 Y129 F208 H209	S115-T117 WeakPolarHBondContact OG-CG2 3.45Å; S115-T117 PolarHBondContact OG-N 3.3Å; T117-Y129 HydrophobicContact CG2-CD2 3.93Å; T117-Y129 HydrophobicContact CG2-CE2 4.23Å; T117-F208 WeakPolarHBondContact CG2-O 3.34Å; T117-H209 HydrophobicContact CG2-CB 3.78Å
118	T	67.5	Low	72.4	Confident	70 Å²	70	82.5 Å²	82.5	43%	0.429	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-126.6	134.5	175.1	57.3	0	0	0	0	109.3	A127 K128	T118-A127 CarbonylContact C-O 3.54Å; T118-A127 VanDerWaalsContact CA-O 3.3Å; T118-A127 WeakPolarHBondContact CA-O 3.27Å; T118-K128 HydrophobicContact CG2-CB 4.45Å; T118-K128 HydrophobicContact CG2-CG 3.85Å
119	K	63.5	Low	72	Confident	59 Å²	59	81.8 Å²	81.8	26%	0.257	42%	0.417	S	S	.	.			trans	-61.1	131.6	172.6	176.8	165.5	175	147.2	0	110	D121 A122 A127 Y129 D210	K119-D121 PolarHBondContact O-N 2.77Å; K119-A122 HydrophobicContact CD-CB 4.28Å; K119-A122 HydrophobicContact CG-CB 4.29Å; K119-A127 HydrophobicContact CB-CB 4.48Å; K119-A127 PolarHBondContact N-O 3.44Å; K119-A127 WeakPolarHBondContact O-CB 3.47Å; K119-Y129 HydrophobicContact CB-CE2 4.4Å; K119-D210 WeakPolarHBondContact CD-OD2 3.36Å; K119-D210 WeakPolarHBondContact CE-OD2 3.41Å; K119-D210 IonicContact NZ-OD2 3.57Å; K119-D210 PolarHBondContact NZ-OD2 3.16Å
120	E	54.9	Low	71.6	Confident	163 Å²	163	83.3 Å²	83.3	76%	0.762	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.2	-169.9	-61.2	180	132.7	0	0	113.9	R211	E120-R211 IonicContact OE2-NH1 2.72Å; E120-R211 PolarHBondContact OE2-NH1 3.01Å
121	D	57.2	Low	71.5	Confident	108 Å²	108	76.3 Å²	76.3	58%	0.578	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	47.2	-171.6	-61.7	-89.6	0	0	0	112.5	K119 R211	K119-D121 PolarHBondContact O-N 2.77Å; D121-R211 IonicContact OD2-CZ 2.87Å; D121-R211 IonicContact OD2-NH1 3.53Å; D121-R211 PolarHBondContact OD2-NH1 2.9Å; D121-R211 IonicContact OD2-NH2 3.38Å; D121-R211 PolarHBondContact OD2-NH2 2.86Å
122	A	57.4	Low	71.5	Confident	42 Å²	42	79.9 Å²	79.9	35%	0.347	41%	0.408	S	S	.	.	S	Bend	trans	-145.4	160.4	173.2	0	0	0	0	0	111.1	K119 A127	K119-A122 HydrophobicContact CD-CB 4.28Å; K119-A122 HydrophobicContact CG-CB 4.29Å; A122-A127 HydrophobicContact CB-CB 3.98Å
123	D	57.3	Low	71.5	Confident	130 Å²	130	80.7 Å²	80.7	70%	0.695	41%	0.411	S	S	*	.			trans	-58.3	144.2	175.1	-85.8	-53	0	0	0	111.6	E125 I126 A127	D123-E125 PolarHBondContact O-N 2.96Å; D123-I126 PolarHBondContact O-N 3.39Å; D123-A127 VanDerWaalsContact O-CB 3.31Å; D123-A127 WeakPolarHBondContact O-CB 3.48Å; D123-A127 PolarHBondContact O-N 3.3Å
124	D	56.7	Low	71.5	Confident	122 Å²	122	81.2 Å²	81.2	65%	0.652	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-27.1	-171.7	-113.7	-53.2	0	0	0	114.6	K128	D124-K128 PolarHBondContact O-NZ 3.4Å; D124-K128 IonicContact OD1-NZ 3.24Å; D124-K128 PolarHBondContact OD1-NZ 2.76Å
125	E	54.4	Low	71.6	Confident	181 Å²	181	79.3 Å²	79.3	85%	0.846	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-22.2	179.3	-60.5	-168.7	151	0	0	113.7	D123	D123-E125 PolarHBondContact O-N 2.96Å
126	I	58.2	Low	71.8	Confident	99 Å²	99	81.8 Å²	81.8	51%	0.508	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-30.2	-179.3	-60.1	173.7	0	0	0	110.9	D123 K128 H157	D123-I126 PolarHBondContact O-N 3.39Å; I126-K128 PolarHBondContact O-N 3.5Å; I126-H157 PolarHBondContact O-CD2 2.89Å; I126-H157 VanDerWaalsContact O-CD2 3.28Å
127	A	60.4	Low	72.2	Confident	8 Å²	8	77.2 Å²	77.2	7%	0.066	40%	0.398	C	S	.	.	S	Bend	trans	-60.6	-16.5	-178.5	0	0	0	0	0	115.2	T118 K119 A122 D123	T118-A127 CarbonylContact C-O 3.54Å; T118-A127 VanDerWaalsContact CA-O 3.3Å; T118-A127 WeakPolarHBondContact CA-O 3.27Å; K119-A127 HydrophobicContact CB-CB 4.48Å; K119-A127 PolarHBondContact N-O 3.44Å; K119-A127 WeakPolarHBondContact O-CB 3.47Å; A122-A127 HydrophobicContact CB-CB 3.98Å; D123-A127 VanDerWaalsContact O-CB 3.31Å; D123-A127 WeakPolarHBondContact O-CB 3.48Å; D123-A127 PolarHBondContact O-N 3.3Å
128	K	70.9	Confident	72.9	Confident	82 Å²	82	75.5 Å²	75.5	36%	0.357	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-91.1	127.4	-171.4	-57.3	-167.7	166.8	72.8	0	110.4	T118 D124 I126 D130	T118-K128 HydrophobicContact CG2-CB 4.45Å; T118-K128 HydrophobicContact CG2-CG 3.85Å; D124-K128 PolarHBondContact O-NZ 3.4Å; D124-K128 IonicContact OD1-NZ 3.24Å; D124-K128 PolarHBondContact OD1-NZ 2.76Å; I126-K128 PolarHBondContact O-N 3.5Å; K128-D130 HydrophobicContact CB-CB 4.33Å; K128-D130 PolarHBondContact O-N 3.05Å
129	Y	75.3	Confident	73.7	Confident	19 Å²	19	76 Å²	76	8%	0.075	38%	0.383	C	S	.	.			trans	-74.9	63	169.8	-73.2	-76.3	0	0	0	110.6	T117 K119 H157 A159 H209 D210 E454	T117-Y129 HydrophobicContact CG2-CD2 3.93Å; T117-Y129 HydrophobicContact CG2-CE2 4.23Å; K119-Y129 HydrophobicContact CB-CE2 4.4Å; Y129-H157 CarbonylContact C-O 3.52Å; Y129-H157 WeakPolarHBondContact CA-O 3.49Å; Y129-H157 HydrophobicContact CD1-CB 3.64Å; Y129-H157 HydrophobicContact CE1-CB 3.74Å; Y129-H157 HydrophobicContact CG-CB 4.45Å; Y129-A159 HydrophobicContact CD1-CB 3.37Å; Y129-A159 HydrophobicContact CE1-CB 3.85Å; Y129-A159 HydrophobicContact CG-CB 3.81Å; Y129-H209 HydrophobicContact CE2-CB 3.72Å; Y129-D210 PolarHBondContact OH-N 3.09Å; Y129-E454 HydrophobicContact CE1-CG 3.67Å; Y129-E454 WeakPolarHBondContact CE1-OE1 3.07Å; Y129-E454 VanDerWaalsContact OH-CD 3.32Å; Y129-E454 PolarHBondContact OH-OE1 3.3Å
130	D	78.8	Confident	74.5	Confident	82 Å²	82	79.3 Å²	79.3	44%	0.439	40%	0.4	S	S	.	.			trans	-99.8	7.2	-174.2	90.4	-34.7	0	0	0	113.9	K128 K156	K128-D130 HydrophobicContact CB-CB 4.33Å; K128-D130 PolarHBondContact O-N 3.05Å; D130-K156 WeakPolarHBondContact OD1-CD 3.47Å; D130-K156 IonicContact OD1-NZ 2.62Å; D130-K156 PolarHBondContact OD1-NZ 3.21Å; D130-K156 IonicContact OD2-NZ 3.6Å; D130-K156 PolarHBondContact OD2-NZ 3.15Å
131	G	83	Confident	75.7	Confident	11 Å²	11	73.6 Å²	73.6	11%	0.113	38%	0.375	C	S	.	.			trans	-61.8	130.8	175.5	0	0	0	0	0	113.4	H157 H158	G131-H157 PolarHBondContact N-O 3.44Å; G131-H157 VanDerWaalsContact N-O 3.13Å; G131-H158 WeakPolarHBondContact CA-CD2 3.31Å; G131-H158 VanDerWaalsContact CA-NE2 3.28Å; G131-H158 WeakPolarHBondContact CA-NE2 3.3Å
132	K	89.1	Confident	76.9	Confident	146 Å²	146	74.7 Å²	74.7	64%	0.635	37%	0.374	S	S	*	.			trans	-88.1	138.8	-177.3	-60.2	178.4	-178.8	176.3	0	113.1	K152 S153 H158	K132-K152 PolarHBondContact O-N 3.41Å; K132-S153 WeakPolarHBondContact CB-OG 3.48Å; K132-S153 PolarHBondContact N-OG 3.31Å; K132-H158 PolarHBondContact N-NE2 2.86Å
133	W	91.7	Very high	78.1	Confident	26 Å²	26	72.9 Å²	72.9	10%	0.098	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.2	172	-58.8	95.9	0	0	0	109.8	L149 V150 L151 H158 I160 L453 L455 F464	W133-L149 HydrophobicContact CB-CD1 3.9Å; W133-L149 HydrophobicContact CD2-CD1 4.12Å; W133-L149 HydrophobicContact CE3-CD1 3.63Å; W133-L149 HydrophobicContact CE3-CD2 4.01Å; W133-L149 HydrophobicContact CE3-CG 3.63Å; W133-L149 HydrophobicContact CG-CD1 4.29Å; W133-L149 HydrophobicContact CZ3-CD1 4.4Å; W133-L149 HydrophobicContact CZ3-CD2 3.98Å; W133-L149 HydrophobicContact CZ3-CG 3.93Å; W133-V150 WeakPolarHBondContact CA-O 3.38Å; W133-L151 HydrophobicContact CE3-CB 4.23Å; W133-L151 HydrophobicContact CH2-CD1 4.2Å; W133-L151 HydrophobicContact CZ3-CB 3.92Å; W133-L151 HydrophobicContact CZ3-CD1 4.41Å; W133-L151 HydrophobicContact CZ3-CG 4.49Å; W133-H158 HydrophobicContact CH2-CB 4.32Å; W133-H158 HydrophobicContact CZ2-CB 3.52Å; W133-I160 HydrophobicContact CB-CD1 4.35Å; W133-I160 HydrophobicContact CD2-CB 4.47Å; W133-I160 HydrophobicContact CD2-CD1 4.43Å; W133-I160 HydrophobicContact CD2-CG2 3.98Å; W133-I160 VanDerWaalsContact CE2-CG2 3.42Å; W133-I160 HydrophobicContact CE3-CG2 4.47Å; W133-I160 HydrophobicContact CG-CD1 4.02Å; W133-I160 HydrophobicContact CH2-CG2 3.94Å; W133-I160 HydrophobicContact CZ2-CB 4.14Å; W133-I160 HydrophobicContact CZ2-CG2 3.39Å; W133-I160 HydrophobicContact CZ3-CG2 4.45Å; W133-L453 HydrophobicContact CH2-CB 3.87Å; W133-L453 HydrophobicContact CH2-CD1 3.86Å; W133-L453 HydrophobicContact CH2-CG 4.47Å; W133-L453 HydrophobicContact CZ2-CB 4.18Å; W133-L453 HydrophobicContact CZ3-CD1 4.15Å; W133-L455 HydrophobicContact CH2-CD1 4.27Å; W133-F464 HydrophobicContact CZ3-CD2 4.18Å; W133-F464 HydrophobicContact CZ3-CE2 4.12Å
134	M	91.3	Very high	79.3	Confident	89 Å²	89	71.3 Å²	71.3	44%	0.438	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.7	171.7	-61.7	-163.7	-65.4	0	0	109.8	E136 V150 K152	M134-E136 VanDerWaalsContact CE-OE1 3.25Å; M134-E136 WeakPolarHBondContact CE-OE1 3.4Å; M134-V150 PolarHBondContact N-O 3.49Å; M134-V150 VanDerWaalsContact N-O 3.09Å; M134-V150 PolarHBondContact O-N 2.84Å; M134-K152 HydrophobicContact CB-CG 4.27Å; M134-K152 HydrophobicContact CE-CB 4.35Å; M134-K152 HydrophobicContact CE-CD 3.83Å; M134-K152 HydrophobicContact CE-CG 3.68Å; M134-K152 HydrophobicContact CG-CG 4.3Å
135	V	92.5	Very high	80.5	Confident	27 Å²	27	67.9 Å²	67.9	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.6	174.4	177.2	0	0	0	0	109	F104 L109 Q147 G148	F104-V135 HydrophobicContact CB-CG1 3.88Å; F104-V135 HydrophobicContact CB-CG2 4.43Å; F104-V135 HydrophobicContact CD1-CG2 4.2Å; L109-V135 HydrophobicContact CD1-CG2 4.25Å; L109-V135 HydrophobicContact CD2-CG2 3.47Å; L109-V135 VanDerWaalsContact CD2-CG2 3.47Å; L109-V135 HydrophobicContact CG-CG2 3.67Å; V135-Q147 HydrophobicContact CG1-CB 3.77Å; V135-G148 WeakPolarHBondContact CA-O 3.48Å
136	E	91.2	Very high	82.1	Confident	60 Å²	60	59.4 Å²	59.4	28%	0.28	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153	-175.3	-72.4	-176.8	-159.1	0	0	110.5	M134 G148 V150 K152	M134-E136 VanDerWaalsContact CE-OE1 3.25Å; M134-E136 WeakPolarHBondContact CE-OE1 3.4Å; E136-G148 PolarHBondContact N-O 3.05Å; E136-G148 PolarHBondContact O-N 2.64Å; E136-V150 HydrophobicContact CB-CG2 4.09Å; E136-K152 WeakPolarHBondContact OE1-CE 3.48Å; E136-K152 IonicContact OE1-NZ 3.21Å; E136-K152 PolarHBondContact OE1-NZ 3.16Å; E136-K152 VanDerWaalsContact OE2-CE 3.26Å; E136-K152 WeakPolarHBondContact OE2-CE 3.37Å; E136-K152 IonicContact OE2-NZ 3.54Å; E136-K152 PolarHBondContact OE2-NZ 2.72Å
137	P	91.1	Very high	83.7	Confident	57 Å²	57	57.2 Å²	57.2	37%	0.37	30%	0.297	S	S	.	.			trans	-69.7	157.7	163.9	32.4	-35.7	0	0	0	110.7
138	L	88.6	Confident	85.2	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	29%	0.294	C	S	.	.			trans	-51.7	148.5	173.8	-69.5	162.6	0	0	0	112.3	E140 K142 N182 Q184 Y463	L138-E140 WeakPolarHBondContact CB-O 3.16Å; L138-K142 WeakPolarHBondContact O-CE 3.48Å; L138-K142 WeakPolarHBondContact O-CG 3.45Å; L138-N182 HydrophobicContact CD2-CB 3.92Å; L138-Q184 HydrophobicContact CD2-CG 4.4Å; L138-Y463 HydrophobicContact CD2-CD1 3.58Å; L138-Y463 HydrophobicContact CD2-CD2 3.66Å; L138-Y463 HydrophobicContact CD2-CE1 3.79Å; L138-Y463 HydrophobicContact CD2-CE2 3.87Å; L138-Y463 HydrophobicContact CD2-CG 3.53Å; L138-Y463 HydrophobicContact CG-CD1 4.37Å; L138-Y463 HydrophobicContact CG-CD2 4.05Å; L138-Y463 HydrophobicContact CG-CE1 4.1Å; L138-Y463 HydrophobicContact CG-CE2 3.76Å; L138-Y463 HydrophobicContact CG-CG 4.36Å
139	K	85.4	Confident	86.4	Confident	80 Å²	80	52.9 Å²	52.9	35%	0.348	28%	0.277	S	S	.	.	S	Bend	trans	-64.2	-46.7	175	-73.2	179.7	-171.7	-176.9	0	111.4	K142 Q184 D185 D461	K139-K142 WeakPolarHBondContact O-CE 3.36Å; K139-K142 PolarHBondContact O-NZ 2.65Å; K139-Q184 HydrophobicContact CD-CB 4.18Å; K139-D185 IonicContact NZ-OD1 3.39Å; K139-D185 PolarHBondContact NZ-OD1 3.27Å; K139-D185 IonicContact NZ-OD2 3.93Å; K139-D461 WeakPolarHBondContact CE-OD1 3.45Å; K139-D461 IonicContact NZ-OD1 3.35Å; K139-D461 IonicContact NZ-OD2 3.76Å; K139-D461 PolarHBondContact NZ-OD2 2.82Å
140	E	80	Confident	87.3	Confident	130 Å²	130	52 Å²	52	61%	0.607	27%	0.273	S	S	*	.	S	Bend	trans	-113.5	163	179.4	-63.2	179.7	-167.9	0	0	109.8	L138 K142	L138-E140 WeakPolarHBondContact CB-O 3.16Å; E140-K142 PolarHBondContact O-N 3.12Å; E140-K142 VanDerWaalsContact O-N 3.15Å
141	N	80.1	Confident	87.9	Confident	43 Å²	43	48.1 Å²	48.1	23%	0.23	25%	0.253	C	S	.	.	S	Bend	trans	53	35.8	178.1	-60	-41	0	0	0	115.4	V143 A491 N494	N141-V143 PolarHBondContact O-N 3.16Å; N141-A491 HydrophobicContact CB-CB 4.29Å; N141-N494 VanDerWaalsContact OD1-CB 3.26Å; N141-N494 WeakPolarHBondContact OD1-CB 3.12Å; N141-N494 PolarHBondContact OD1-ND2 3.07Å
142	K	82	Confident	88.3	Confident	130 Å²	130	49.7 Å²	49.7	57%	0.565	26%	0.257	S	S	*	.			trans	-55.8	116.9	-178.9	-75.6	164.4	176.7	142.9	0	112.7	L138 K139 E140	L138-K142 WeakPolarHBondContact O-CE 3.48Å; L138-K142 WeakPolarHBondContact O-CG 3.45Å; K139-K142 WeakPolarHBondContact O-CE 3.36Å; K139-K142 PolarHBondContact O-NZ 2.65Å; E140-K142 PolarHBondContact O-N 3.12Å; E140-K142 VanDerWaalsContact O-N 3.15Å
143	V	82.3	Confident	88.4	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.03	23%	0.232	C	C	.	.			trans	-92.2	121.8	167.3	177.9	0	0	0	0	108.5	Y89 N141 G145 D146 K487 V490	Y89-V143 VanDerWaalsContact CB-CG1 3.45Å; Y89-V143 HydrophobicContact CD2-CG1 4.21Å; Y89-V143 HydrophobicContact CG-CG1 3.91Å; N141-V143 PolarHBondContact O-N 3.16Å; V143-G145 PolarHBondContact O-N 3.07Å; V143-D146 HydrophobicContact CB-CB 3.69Å; V143-D146 HydrophobicContact CG1-CB 3.93Å; V143-D146 WeakPolarHBondContact O-CB 3.41Å; V143-D146 PolarHBondContact O-N 3.05Å; V143-K487 HydrophobicContact CG2-CG 4.34Å; V143-V490 HydrophobicContact CG2-CB 4.26Å; V143-V490 HydrophobicContact CG2-CG1 4.32Å; V143-V490 HydrophobicContact CG2-CG2 4.17Å
144	P	82.3	Confident	88.3	Confident	97 Å²	97	49.4 Å²	49.4	63%	0.63	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	116	-177.1	-22.6	34.6	0	0	0	112.6
145	G	81.6	Confident	88.1	Confident	50 Å²	50	47.9 Å²	47.9	52%	0.515	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	-12.4	-178	0	0	0	0	0	114.2	V143	V143-G145 PolarHBondContact O-N 3.07Å
146	D	88.4	Confident	87.9	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.011	26%	0.262	C	S	.	.			trans	-80.8	128.5	173.6	-174.5	71.2	0	0	0	110.1	Y89 V143 Y463 K487	Y89-D146 HydrophobicContact CD1-CB 4.31Å; Y89-D146 HydrophobicContact CE1-CB 4.24Å; V143-D146 HydrophobicContact CB-CB 3.69Å; V143-D146 HydrophobicContact CG1-CB 3.93Å; V143-D146 WeakPolarHBondContact O-CB 3.41Å; V143-D146 PolarHBondContact O-N 3.05Å; D146-Y463 PolarHBondContact OD2-OH 2.85Å; D146-Y463 VanDerWaalsContact OD2-OH 3.08Å; D146-K487 WeakPolarHBondContact OD1-CE 3.42Å; D146-K487 IonicContact OD1-NZ 2.72Å; D146-K487 PolarHBondContact OD1-NZ 2.87Å; D146-K487 WeakPolarHBondContact OD2-CE 2.99Å; D146-K487 IonicContact OD2-NZ 2.65Å; D146-K487 PolarHBondContact OD2-NZ 3.47Å
147	Q	91.1	Very high	87.8	Confident	53 Å²	53	48.4 Å²	48.4	25%	0.248	26%	0.255	C	S	.	.			trans	-133.2	157.4	176.3	-59.8	-153.1	-116.6	0	0	110.3	T103 V135	T103-Q147 VanDerWaalsContact O-O 3.08Å; V135-Q147 HydrophobicContact CG1-CB 3.77Å
148	G	92.8	Very high	87.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	164.9	176.8	0	0	0	0	0	113	V135 E136 V150 Y463	V135-G148 WeakPolarHBondContact CA-O 3.48Å; E136-G148 PolarHBondContact N-O 3.05Å; E136-G148 PolarHBondContact O-N 2.64Å; G148-V150 PolarHBondContact O-N 3.35Å; G148-Y463 VanDerWaalsContact CA-CE2 3.46Å
149	L	95	Very high	88	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.6	178.6	174.7	67.2	0	0	0	109.8	F104 L109 W112 W133 I160 L453 F464	F104-L149 HydrophobicContact CD1-CB 4.37Å; F104-L149 HydrophobicContact CD2-CB 4.25Å; F104-L149 HydrophobicContact CE1-CB 3.87Å; F104-L149 HydrophobicContact CE1-CD2 4.4Å; F104-L149 HydrophobicContact CE2-CB 3.74Å; F104-L149 HydrophobicContact CZ-CB 3.53Å; F104-L149 HydrophobicContact CZ-CD2 3.99Å; F104-L149 HydrophobicContact CZ-CG 4.32Å; L109-L149 HydrophobicContact CD2-CD1 3.84Å; W112-L149 HydrophobicContact CE3-CD2 4.41Å; W112-L149 HydrophobicContact CH2-CD2 4.41Å; W112-L149 HydrophobicContact CZ3-CD2 4.23Å; W133-L149 HydrophobicContact CB-CD1 3.9Å; W133-L149 HydrophobicContact CD2-CD1 4.12Å; W133-L149 HydrophobicContact CE3-CD1 3.63Å; W133-L149 HydrophobicContact CE3-CD2 4.01Å; W133-L149 HydrophobicContact CE3-CG 3.63Å; W133-L149 HydrophobicContact CG-CD1 4.29Å; W133-L149 HydrophobicContact CZ3-CD1 4.4Å; W133-L149 HydrophobicContact CZ3-CD2 3.98Å; W133-L149 HydrophobicContact CZ3-CG 3.93Å; L149-I160 HydrophobicContact CD1-CD1 4.39Å; L149-I160 HydrophobicContact CD2-CG2 4.33Å; L149-L453 HydrophobicContact CD2-CD1 3.53Å; L149-F464 HydrophobicContact CB-CB 4.38Å; L149-F464 PolarHBondContact N-O 2.66Å; L149-F464 PolarHBondContact O-N 3.31Å
150	V	94.3	Very high	88.4	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.2	-178.1	-169.7	0	0	0	0	111.8	W133 M134 E136 G148 K152 D461 I462 Y463	W133-V150 WeakPolarHBondContact CA-O 3.38Å; M134-V150 PolarHBondContact N-O 3.49Å; M134-V150 VanDerWaalsContact N-O 3.09Å; M134-V150 PolarHBondContact O-N 2.84Å; E136-V150 HydrophobicContact CB-CG2 4.09Å; G148-V150 PolarHBondContact O-N 3.35Å; V150-K152 HydrophobicContact CB-CG 4.45Å; V150-K152 HydrophobicContact CG1-CD 4Å; V150-K152 VanDerWaalsContact CG1-CE 3.5Å; V150-K152 HydrophobicContact CG1-CG 4.22Å; V150-K152 PolarHBondContact O-N 2.91Å; V150-D461 HydrophobicContact CG1-CB 4.38Å; V150-I462 WeakPolarHBondContact CA-O 3.43Å; V150-Y463 HydrophobicContact CG2-CD2 3.74Å; V150-Y463 HydrophobicContact CG2-CG 4.38Å
151	L	92.9	Very high	89.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	113.1	170.5	-175.5	153.6	0	0	0	109.1	W133 H158 L455 D461 I462 F464	W133-L151 HydrophobicContact CE3-CB 4.23Å; W133-L151 HydrophobicContact CH2-CD1 4.2Å; W133-L151 HydrophobicContact CZ3-CB 3.92Å; W133-L151 HydrophobicContact CZ3-CD1 4.41Å; W133-L151 HydrophobicContact CZ3-CG 4.49Å; L151-H158 HydrophobicContact CD1-CB 4.08Å; L151-L455 HydrophobicContact CD1-CB 4.31Å; L151-L455 HydrophobicContact CD1-CD1 4.1Å; L151-D461 WeakPolarHBondContact O-CA 3.26Å; L151-D461 PolarHBondContact O-N 3.2Å; L151-I462 HydrophobicContact CB-CB 4.24Å; L151-I462 PolarHBondContact N-O 2.63Å; L151-F464 HydrophobicContact CB-CE2 4.32Å
152	K	91.3	Very high	89.8	Confident	45 Å²	45	33.8 Å²	33.8	20%	0.196	18%	0.182	C	C	.	.			trans	-106.5	-8.8	-165.8	-75	-74.7	-176.8	-178.8	0	116	K132 M134 E136 V150 D461	K132-K152 PolarHBondContact O-N 3.41Å; M134-K152 HydrophobicContact CB-CG 4.27Å; M134-K152 HydrophobicContact CE-CB 4.35Å; M134-K152 HydrophobicContact CE-CD 3.83Å; M134-K152 HydrophobicContact CE-CG 3.68Å; M134-K152 HydrophobicContact CG-CG 4.3Å; E136-K152 WeakPolarHBondContact OE1-CE 3.48Å; E136-K152 IonicContact OE1-NZ 3.21Å; E136-K152 PolarHBondContact OE1-NZ 3.16Å; E136-K152 VanDerWaalsContact OE2-CE 3.26Å; E136-K152 WeakPolarHBondContact OE2-CE 3.37Å; E136-K152 IonicContact OE2-NZ 3.54Å; E136-K152 PolarHBondContact OE2-NZ 2.72Å; V150-K152 HydrophobicContact CB-CG 4.45Å; V150-K152 HydrophobicContact CG1-CD 4Å; V150-K152 VanDerWaalsContact CG1-CE 3.5Å; V150-K152 HydrophobicContact CG1-CG 4.22Å; V150-K152 PolarHBondContact O-N 2.91Å; K152-D461 WeakPolarHBondContact CD-OD1 3.14Å; K152-D461 WeakPolarHBondContact CE-OD1 3.47Å; K152-D461 IonicContact NZ-OD1 3.83Å; K152-D461 PolarHBondContact NZ-OD1 2.77Å
153	S	90.4	Very high	90.4	Very high	17 Å²	17	31.8 Å²	31.8	12%	0.119	18%	0.176	C	C	.	.			trans	-109.3	136	-173.3	-41.6	0	0	0	0	111.7	K132 H158	K132-S153 WeakPolarHBondContact CB-OG 3.48Å; K132-S153 PolarHBondContact N-OG 3.31Å; S153-H158 WeakPolarHBondContact CB-NE2 3.29Å; S153-H158 PolarHBondContact N-NE2 3.32Å; S153-H158 PolarHBondContact O-CE1 3.36Å
154	R	90.1	Very high	90.9	Very high	148 Å²	148	32.3 Å²	32.3	56%	0.558	18%	0.178	S	C	*	.	S	Bend	trans	-86.3	147.7	177	-64.2	-170.4	179.9	-173.1	-4.1	111.1	K156 D185 M458 S460	R154-K156 VanDerWaalsContact C-N 3.32Å; R154-K156 PolarHBondContact O-N 3.36Å; R154-D185 IonicContact CZ-OD2 2.72Å; R154-D185 IonicContact NH2-OD2 3.51Å; R154-D185 PolarHBondContact NH2-OD2 2.94Å; R154-M458 VanDerWaalsContact CB-O 3.29Å; R154-M458 WeakPolarHBondContact CB-O 3.3Å; R154-S460 PolarHBondContact NE-OG 2.91Å; R154-S460 PolarHBondContact NH2-OG 2.65Å
155	A	87.6	Confident	91.4	Very high	57 Å²	57	33 Å²	33	47%	0.471	18%	0.177	S	C	.	.	S	Bend	trans	51.9	40.4	176.6	0	0	0	0	0	115	S457 M458	A155-S457 WeakPolarHBondContact CA-O 3.46Å; A155-S457 PolarHBondContact N-O 2.84Å; A155-M458 HydrophobicContact CB-CE 4.3Å; A155-M458 HydrophobicContact CB-SD 3.78Å
156	K	88.1	Confident	91.8	Very high	70 Å²	70	34.9 Å²	34.9	30%	0.304	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150	-172.9	-85.1	166.4	176.7	-73.5	0	113.1	D130 R154 H158 S457	D130-K156 WeakPolarHBondContact OD1-CD 3.47Å; D130-K156 IonicContact OD1-NZ 2.62Å; D130-K156 PolarHBondContact OD1-NZ 3.21Å; D130-K156 IonicContact OD2-NZ 3.6Å; D130-K156 PolarHBondContact OD2-NZ 3.15Å; R154-K156 VanDerWaalsContact C-N 3.32Å; R154-K156 PolarHBondContact O-N 3.36Å; K156-H158 PolarHBondContact O-CE1 2.84Å; K156-H158 PolarHBondContact O-ND1 3.31Å; K156-S457 PolarHBondContact N-O 2.67Å
157	H	88.2	Confident	92.1	Very high	28 Å²	28	37.5 Å²	37.5	13%	0.13	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127	170.4	-72.4	-85.5	0	0	0	110.4	I126 Y129 G131 L455 W456	I126-H157 PolarHBondContact O-CD2 2.89Å; I126-H157 VanDerWaalsContact O-CD2 3.28Å; Y129-H157 CarbonylContact C-O 3.52Å; Y129-H157 WeakPolarHBondContact CA-O 3.49Å; Y129-H157 HydrophobicContact CD1-CB 3.64Å; Y129-H157 HydrophobicContact CE1-CB 3.74Å; Y129-H157 HydrophobicContact CG-CB 4.45Å; G131-H157 PolarHBondContact N-O 3.44Å; G131-H157 VanDerWaalsContact N-O 3.13Å; H157-L455 WeakPolarHBondContact CA-O 3.1Å; H157-W456 AromaticContact CE1-CD1 3.83Å; H157-W456 AromaticContact CE1-CG 3.94Å; H157-W456 AromaticContact NE2-CD1 3.69Å
158	H	90.8	Very high	92.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127	178.8	-63.8	70.8	0	0	0	108.4	G131 K132 W133 L151 S153 K156 E454 L455	G131-H158 WeakPolarHBondContact CA-CD2 3.31Å; G131-H158 VanDerWaalsContact CA-NE2 3.28Å; G131-H158 WeakPolarHBondContact CA-NE2 3.3Å; K132-H158 PolarHBondContact N-NE2 2.86Å; W133-H158 HydrophobicContact CH2-CB 4.32Å; W133-H158 HydrophobicContact CZ2-CB 3.52Å; L151-H158 HydrophobicContact CD1-CB 4.08Å; S153-H158 WeakPolarHBondContact CB-NE2 3.29Å; S153-H158 PolarHBondContact N-NE2 3.32Å; S153-H158 PolarHBondContact O-CE1 3.36Å; K156-H158 PolarHBondContact O-CE1 2.84Å; K156-H158 PolarHBondContact O-ND1 3.31Å; H158-E454 WeakPolarHBondContact O-CA 3.49Å; H158-L455 PolarHBondContact N-O 2.89Å; H158-L455 PolarHBondContact O-N 3.06Å
159	A	92.8	Very high	92.3	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.033	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121.5	174.7	0	0	0	0	0	110.6	P114 S115 Y129 F208 L453 E454	P114-A159 WeakPolarHBondContact CA-O 3.44Å; S115-A159 PolarHBondContact N-O 3.28Å; Y129-A159 HydrophobicContact CD1-CB 3.37Å; Y129-A159 HydrophobicContact CE1-CB 3.85Å; Y129-A159 HydrophobicContact CG-CB 3.81Å; A159-F208 HydrophobicContact CB-CD1 4.02Å; A159-L453 VanDerWaalsContact CA-O 3.3Å; A159-L453 WeakPolarHBondContact CA-O 3.33Å; A159-E454 HydrophobicContact CB-CG 4.25Å
160	I	93.8	Very high	92.1	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.4	176.2	-161.3	176.3	0	0	0	109.6	W112 P114 W133 L149 G452 L453	W112-I160 HydrophobicContact CB-CD1 3.74Å; W112-I160 HydrophobicContact CB-CG1 4Å; W112-I160 HydrophobicContact CE3-CD1 4.31Å; W112-I160 HydrophobicContact CE3-CG1 4.08Å; W112-I160 HydrophobicContact CE3-CG2 3.97Å; W112-I160 HydrophobicContact CZ3-CG2 4.18Å; P114-I160 HydrophobicContact CB-CG1 4.41Å; W133-I160 HydrophobicContact CB-CD1 4.35Å; W133-I160 HydrophobicContact CD2-CB 4.47Å; W133-I160 HydrophobicContact CD2-CD1 4.43Å; W133-I160 HydrophobicContact CD2-CG2 3.98Å; W133-I160 VanDerWaalsContact CE2-CG2 3.42Å; W133-I160 HydrophobicContact CE3-CG2 4.47Å; W133-I160 HydrophobicContact CG-CD1 4.02Å; W133-I160 HydrophobicContact CH2-CG2 3.94Å; W133-I160 HydrophobicContact CZ2-CB 4.14Å; W133-I160 HydrophobicContact CZ2-CG2 3.39Å; W133-I160 HydrophobicContact CZ3-CG2 4.45Å; L149-I160 HydrophobicContact CD1-CD1 4.39Å; L149-I160 HydrophobicContact CD2-CG2 4.33Å; I160-G452 CarbonylContact O-C 3.49Å; I160-G452 WeakPolarHBondContact O-CA 3.2Å; I160-L453 HydrophobicContact CG2-CB 4.09Å; I160-L453 HydrophobicContact CG2-CD1 4.09Å; I160-L453 PolarHBondContact N-O 3.22Å; I160-L453 PolarHBondContact O-N 3.48Å
161	A	94.9	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.7	-179.1	0	0	0	0	0	113.3	Q113 L197 L205 F208 L451	Q113-A161 PolarHBondContact N-O 3.32Å; Q113-A161 PolarHBondContact O-N 3Å; A161-L197 HydrophobicContact CB-CD1 4.15Å; A161-L205 HydrophobicContact CB-CB 4.44Å; A161-L205 HydrophobicContact CB-CD1 4.4Å; A161-L205 HydrophobicContact CB-CD2 3.97Å; A161-L205 HydrophobicContact CB-CG 4.49Å; A161-F208 HydrophobicContact CB-CD1 3.91Å; A161-F208 HydrophobicContact CB-CE1 4.2Å; A161-L451 CarbonylContact C-O 3.53Å; A161-L451 WeakPolarHBondContact CA-O 3.47Å; A161-L451 WeakPolarHBondContact CB-O 3.15Å
162	A	94.8	Very high	91.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.1	177.6	0	0	0	0	0	110.9	F100 R111 W112 A450 L451	F100-A162 HydrophobicContact CE2-CB 3.78Å; F100-A162 HydrophobicContact CZ-CB 3.8Å; R111-A162 HydrophobicContact CG-CB 4.23Å; W112-A162 HydrophobicContact CD2-CB 3.7Å; W112-A162 HydrophobicContact CE3-CB 4.04Å; W112-A162 HydrophobicContact CG-CB 4.03Å; W112-A162 HydrophobicContact CZ2-CB 4.3Å; A162-A450 CarbonylContact O-C 3.6Å; A162-A450 WeakPolarHBondContact O-CA 3.45Å; A162-A450 WeakPolarHBondContact O-CB 3.44Å; A162-L451 PolarHBondContact N-O 2.9Å; A162-L451 PolarHBondContact O-N 3.35Å
163	M	94.3	Very high	91.7	Very high	89 Å²	89	52.4 Å²	52.4	44%	0.438	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	143.7	174.3	-64.3	-161.3	-176.5	0	0	111.7	L205	M163-L205 HydrophobicContact CE-CD1 4.12Å; M163-L205 HydrophobicContact CE-CG 4.15Å; M163-L205 HydrophobicContact CG-CD1 3.77Å
164	L	93.7	Very high	91.9	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	151.1	167.5	-87.4	63.3	0	0	0	111.1	Y99 F100 K166 F448 K449 L451 I469	Y99-L164 WeakPolarHBondContact O-CB 3.47Å; F100-L164 HydrophobicContact CB-CD1 4.46Å; F100-L164 HydrophobicContact CB-CG 4.18Å; F100-L164 HydrophobicContact CD2-CD1 4.25Å; F100-L164 HydrophobicContact CD2-CG 4.44Å; L164-K166 VanDerWaalsContact C-N 3.31Å; L164-K166 WeakPolarHBondContact CB-O 3.34Å; L164-F448 HydrophobicContact CD1-CE2 4.46Å; L164-F448 HydrophobicContact CD2-CD2 3.82Å; L164-F448 HydrophobicContact CD2-CE2 3.48Å; L164-F448 VanDerWaalsContact CD2-CE2 3.48Å; L164-F448 HydrophobicContact CD2-CZ 4.39Å; L164-K449 WeakPolarHBondContact CB-O 3.5Å; L164-K449 PolarHBondContact N-O 3.43Å; L164-L451 HydrophobicContact CD1-CB 4.37Å; L164-I469 HydrophobicContact CD1-CD1 4.34Å; L164-I469 HydrophobicContact CD2-CD1 4.5Å
165	D	91.9	Very high	92.2	Very high	112 Å²	112	46.2 Å²	46.2	60%	0.599	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	-30.3	175.4	-58.8	-57.6	0	0	0	111.8	Y99 R111	Y99-D165 PolarHBondContact O-N 3.2Å; R111-D165 IonicContact CZ-OD1 2.65Å; R111-D165 IonicContact CZ-OD2 3.5Å; R111-D165 IonicContact NH2-OD1 2.66Å; R111-D165 PolarHBondContact NH2-OD1 2.88Å; R111-D165 IonicContact NH2-OD2 3.82Å; R111-D165 PolarHBondContact NH2-OD2 2.79Å
166	K	91.5	Very high	92.7	Very high	89 Å²	89	43.6 Å²	43.6	39%	0.387	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.2	174.4	-58.7	168.5	-170.5	152.8	0	108.4	D97 Y99 L164	D97-K166 IonicContact OD1-NZ 2.65Å; D97-K166 PolarHBondContact OD1-NZ 3Å; Y99-K166 HydrophobicContact CD1-CB 3.86Å; Y99-K166 HydrophobicContact CE1-CB 4.43Å; L164-K166 VanDerWaalsContact C-N 3.31Å; L164-K166 WeakPolarHBondContact CB-O 3.34Å
167	P	92.9	Very high	93.1	Very high	58 Å²	58	40.4 Å²	40.4	38%	0.377	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	138.5	169.7	-18.8	31.2	0	0	0	111	F448 K449	P167-F448 WeakPolarHBondContact CA-O 3.46Å; P167-K449 HydrophobicContact CB-CB 4.43Å; P167-K449 HydrophobicContact CB-CG 4.47Å; P167-K449 HydrophobicContact CG-CD 4.16Å; P167-K449 HydrophobicContact CG-CG 4.19Å
168	F	94	Very high	93.5	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.3	174.5	-170.4	-85.2	0	0	0	110.3	Y99 F170 L175 S447 F448	Y99-F168 HydrophobicContact CD1-CB 4.2Å; Y99-F168 AromaticContact CD1-CD2 3.93Å; Y99-F168 HydrophobicContact CD1-CD2 3.93Å; Y99-F168 AromaticContact CD2-CD2 3.92Å; Y99-F168 HydrophobicContact CD2-CD2 3.92Å; Y99-F168 HydrophobicContact CD2-CE2 4.43Å; Y99-F168 HydrophobicContact CE1-CB 4.45Å; Y99-F168 AromaticContact CE1-CD2 3.7Å; Y99-F168 HydrophobicContact CE1-CD2 3.7Å; Y99-F168 HydrophobicContact CE1-CE2 4.42Å; Y99-F168 HydrophobicContact CE1-CG 4.48Å; Y99-F168 AromaticContact CE2-CD2 3.7Å; Y99-F168 HydrophobicContact CE2-CD2 3.7Å; Y99-F168 AromaticContact CE2-CE2 3.89Å; Y99-F168 HydrophobicContact CE2-CE2 3.89Å; Y99-F168 HydrophobicContact CG-CD2 4.06Å; Y99-F168 AromaticContact CZ-CD2 3.59Å; Y99-F168 AromaticContact CZ-CE2 3.89Å; F168-F170 HydrophobicContact CD1-CD1 4.26Å; F168-F170 HydrophobicContact CD1-CD2 4.37Å; F168-F170 HydrophobicContact CD1-CE1 4.02Å; F168-F170 HydrophobicContact CD1-CE2 4.13Å; F168-F170 HydrophobicContact CD1-CG 4.43Å; F168-F170 AromaticContact CD1-CZ 3.95Å; F168-F170 HydrophobicContact CD1-CZ 3.95Å; F168-F170 AromaticContact CE1-CD1 3.72Å; F168-F170 HydrophobicContact CE1-CD1 3.72Å; F168-F170 AromaticContact CE1-CE1 3.7Å; F168-F170 HydrophobicContact CE1-CE1 3.7Å; F168-F170 HydrophobicContact CE1-CG 4.16Å; F168-F170 HydrophobicContact CE1-CZ 4.13Å; F168-L175 HydrophobicContact CD1-CD1 4.24Å; F168-L175 HydrophobicContact CD2-CD1 4.07Å; F168-L175 HydrophobicContact CE1-CB 3.95Å; F168-L175 HydrophobicContact CE1-CD1 4.12Å; F168-L175 HydrophobicContact CE1-CG 4.46Å; F168-L175 HydrophobicContact CE2-CB 4.5Å; F168-L175 HydrophobicContact CE2-CD1 3.94Å; F168-L175 HydrophobicContact CG-CD1 4.23Å; F168-L175 HydrophobicContact CZ-CB 3.79Å; F168-L175 HydrophobicContact CZ-CD1 3.97Å; F168-L175 HydrophobicContact CZ-CG 4.46Å; F168-S447 VanDerWaalsContact O-CA 3.22Å; F168-S447 WeakPolarHBondContact O-CA 3.38Å; F168-S447 WeakPolarHBondContact O-CB 3.15Å; F168-F448 HydrophobicContact CB-CD1 3.99Å; F168-F448 HydrophobicContact CB-CE1 3.48Å; F168-F448 VanDerWaalsContact CB-CE1 3.48Å; F168-F448 HydrophobicContact CB-CE2 4.13Å; F168-F448 HydrophobicContact CB-CZ 3.54Å; F168-F448 HydrophobicContact CD1-CD1 4.31Å; F168-F448 AromaticContact CD1-CE1 3.59Å; F168-F448 HydrophobicContact CD1-CE1 3.59Å; F168-F448 HydrophobicContact CD1-CZ 4.26Å; F168-F448 AromaticContact CG-CE1 3.71Å; F168-F448 HydrophobicContact CG-CE1 3.71Å; F168-F448 AromaticContact CG-CZ 3.93Å; F168-F448 HydrophobicContact CG-CZ 3.93Å; F168-F448 PolarHBondContact N-O 3.45Å; F168-F448 PolarHBondContact O-N 3.18Å
169	V	94.2	Very high	93.8	Very high	72 Å²	72	39.1 Å²	39.1	44%	0.436	20%	0.204	S	C	.	.			trans	-133.5	117.1	-175.3	-169.1	0	0	0	0	110.3	Q171	V169-Q171 HydrophobicContact CG1-CG 4.16Å; V169-Q171 PolarHBondContact O-N 3.39Å
170	F	92.3	Very high	94	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.035	20%	0.202	C	C	.	.			trans	-72	100.1	-177.9	-56.9	-89.6	0	0	0	111.5	F168 L175 T215 I216 L271 F443 M445 T446 F448	F168-F170 HydrophobicContact CD1-CD1 4.26Å; F168-F170 HydrophobicContact CD1-CD2 4.37Å; F168-F170 HydrophobicContact CD1-CE1 4.02Å; F168-F170 HydrophobicContact CD1-CE2 4.13Å; F168-F170 HydrophobicContact CD1-CG 4.43Å; F168-F170 AromaticContact CD1-CZ 3.95Å; F168-F170 HydrophobicContact CD1-CZ 3.95Å; F168-F170 AromaticContact CE1-CD1 3.72Å; F168-F170 HydrophobicContact CE1-CD1 3.72Å; F168-F170 AromaticContact CE1-CE1 3.7Å; F168-F170 HydrophobicContact CE1-CE1 3.7Å; F168-F170 HydrophobicContact CE1-CG 4.16Å; F168-F170 HydrophobicContact CE1-CZ 4.13Å; F170-L175 HydrophobicContact CE1-CB 4.22Å; F170-L175 HydrophobicContact CE1-CD2 3.72Å; F170-L175 HydrophobicContact CZ-CD2 3.91Å; F170-T215 HydrophobicContact CE2-CG2 3.9Å; F170-T215 HydrophobicContact CZ-CG2 4.26Å; F170-I216 HydrophobicContact CE1-CD1 4.34Å; F170-I216 HydrophobicContact CZ-CD1 4.08Å; F170-L271 HydrophobicContact CE1-CD2 4.44Å; F170-F443 HydrophobicContact CB-CD1 4.25Å; F170-F443 HydrophobicContact CB-CE1 3.98Å; F170-F443 HydrophobicContact CB-CZ 4.41Å; F170-F443 WeakPolarHBondContact CB-O 3.38Å; F170-F443 HydrophobicContact CD1-CD2 4.46Å; F170-F443 HydrophobicContact CD1-CE1 4.21Å; F170-F443 AromaticContact CD1-CE2 3.95Å; F170-F443 HydrophobicContact CD1-CE2 3.95Å; F170-F443 AromaticContact CD1-CZ 3.8Å; F170-F443 HydrophobicContact CD1-CZ 3.8Å; F170-F443 WeakPolarHBondContact CG-O 3.47Å; F170-M445 HydrophobicContact CD1-CE 4.03Å; F170-M445 HydrophobicContact CD1-CG 4.13Å; F170-M445 HydrophobicContact CD2-CG 3.54Å; F170-M445 WeakPolarHBondContact CD2-O 3.37Å; F170-M445 HydrophobicContact CE1-CE 3.74Å; F170-M445 HydrophobicContact CE1-CG 4.18Å; F170-M445 HydrophobicContact CE1-SD 4.31Å; F170-M445 HydrophobicContact CE2-CG 3.6Å; F170-M445 HydrophobicContact CE2-SD 4.3Å; F170-M445 HydrophobicContact CG-CG 3.82Å; F170-M445 HydrophobicContact CZ-CE 4.11Å; F170-M445 HydrophobicContact CZ-CG 3.93Å; F170-M445 HydrophobicContact CZ-SD 4.09Å; F170-T446 WeakPolarHBondContact CE2-O 3.27Å; F170-F448 AromaticContact CE2-CD1 3.78Å; F170-F448 HydrophobicContact CE2-CD1 3.78Å; F170-F448 HydrophobicContact CE2-CE1 4.11Å; F170-F448 AromaticContact CZ-CD1 3.77Å; F170-F448 HydrophobicContact CZ-CD1 3.77Å; F170-F448 AromaticContact CZ-CE1 3.69Å; F170-F448 HydrophobicContact CZ-CE1 3.69Å
171	Q	88.6	Confident	94.1	Very high	117 Å²	117	38.8 Å²	38.8	55%	0.547	20%	0.202	S	C	.	.	S	Bend	trans	-125.3	-84.3	175.4	-63.8	-176.4	44.6	0	0	110.1	V169	V169-Q171 HydrophobicContact CG1-CG 4.16Å; V169-Q171 PolarHBondContact O-N 3.39Å
172	D	88.6	Confident	94	Very high	116 Å²	116	39.2 Å²	39.2	62%	0.62	20%	0.204	S	C	*	.	S	Bend	trans	-134.1	1	-171.4	-49.7	-41	0	0	0	113	P273 R444	D172-P273 WeakPolarHBondContact O-CG 3.44Å; D172-R444 IonicContact OD1-NH2 2.76Å; D172-R444 PolarHBondContact OD1-NH2 3.13Å
173	E	92.3	Very high	94	Very high	95 Å²	95	39.4 Å²	39.4	44%	0.444	21%	0.205	S	C	.	.	S	Bend	trans	-101.4	138.5	173	-70.5	177.2	-142.9	0	0	110.3	Y99 F443 S471	Y99-E173 PolarHBondContact OH-OE2 3.3Å; E173-F443 VanDerWaalsContact O-CZ 3.24Å; E173-F443 WeakPolarHBondContact O-CZ 3.27Å; E173-S471 VanDerWaalsContact OE2-CB 3.29Å; E173-S471 WeakPolarHBondContact OE2-CB 3.2Å; E173-S471 PolarHBondContact OE2-OG 2.68Å
174	P	95.3	Very high	93.8	Very high	35 Å²	35	35.9 Å²	35.9	23%	0.227	19%	0.187	C	C	.	.			trans	-68.9	158.9	174.2	29.6	-32.7	0	0	0	111.4	L271 S471	P174-L271 CarbonylContact C-O 3.56Å; P174-L271 VanDerWaalsContact CA-O 3.27Å; P174-L271 WeakPolarHBondContact CA-O 3.49Å; P174-L271 WeakPolarHBondContact CB-O 3.18Å; P174-S471 WeakPolarHBondContact CG-O 3.23Å; P174-S471 WeakPolarHBondContact O-CA 3.42Å
175	L	96.2	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.5	172.4	173.5	64.4	0	0	0	109.6	F168 F170 V177 L196 I216 L271 F448 I469	F168-L175 HydrophobicContact CD1-CD1 4.24Å; F168-L175 HydrophobicContact CD2-CD1 4.07Å; F168-L175 HydrophobicContact CE1-CB 3.95Å; F168-L175 HydrophobicContact CE1-CD1 4.12Å; F168-L175 HydrophobicContact CE1-CG 4.46Å; F168-L175 HydrophobicContact CE2-CB 4.5Å; F168-L175 HydrophobicContact CE2-CD1 3.94Å; F168-L175 HydrophobicContact CG-CD1 4.23Å; F168-L175 HydrophobicContact CZ-CB 3.79Å; F168-L175 HydrophobicContact CZ-CD1 3.97Å; F168-L175 HydrophobicContact CZ-CG 4.46Å; F170-L175 HydrophobicContact CE1-CB 4.22Å; F170-L175 HydrophobicContact CE1-CD2 3.72Å; F170-L175 HydrophobicContact CZ-CD2 3.91Å; L175-V177 HydrophobicContact CD1-CG2 3.7Å; L175-V177 HydrophobicContact CD2-CG2 4.03Å; L175-V177 HydrophobicContact CG-CG2 3.82Å; L175-L196 HydrophobicContact CD2-CD1 4.27Å; L175-I216 HydrophobicContact CD2-CD1 3.63Å; L175-L271 HydrophobicContact CB-CB 4.44Å; L175-L271 PolarHBondContact N-O 2.94Å; L175-L271 PolarHBondContact O-N 2.86Å; L175-F448 HydrophobicContact CD1-CE1 4.12Å; L175-F448 HydrophobicContact CD1-CZ 3.88Å; L175-F448 HydrophobicContact CD2-CE1 3.94Å; L175-F448 HydrophobicContact CD2-CZ 4.3Å; L175-I469 HydrophobicContact CD1-CG2 3.86Å
176	V	96.8	Very high	93.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.8	166.5	-174.1	0	0	0	0	109.1	T268 L269 V270 I469 T470 K473 A476	V176-T268 HydrophobicContact CG1-CG2 4.07Å; V176-L269 WeakPolarHBondContact CA-O 3.46Å; V176-V270 HydrophobicContact CG1-CG2 4.29Å; V176-V270 HydrophobicContact CG2-CG1 4.37Å; V176-V270 HydrophobicContact CG2-CG2 4.27Å; V176-I469 WeakPolarHBondContact O-CA 3.43Å; V176-T470 WeakPolarHBondContact CA-O 3.33Å; V176-T470 HydrophobicContact CB-CG2 4.06Å; V176-T470 WeakPolarHBondContact CB-O 3.5Å; V176-T470 HydrophobicContact CG1-CG2 4.46Å; V176-T470 PolarHBondContact N-O 2.73Å; V176-T470 PolarHBondContact O-N 3.38Å; V176-K473 HydrophobicContact CG2-CB 4.41Å; V176-A476 HydrophobicContact CG1-CB 3.77Å
177	V	97.2	Very high	93.2	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.6	176.2	-178.7	0	0	0	0	108.4	L175 I194 L196 T268 L269 I469	L175-V177 HydrophobicContact CD1-CG2 3.7Å; L175-V177 HydrophobicContact CD2-CG2 4.03Å; L175-V177 HydrophobicContact CG-CG2 3.82Å; V177-I194 HydrophobicContact CG1-CD1 3.4Å; V177-I194 VanDerWaalsContact CG1-CD1 3.4Å; V177-L196 HydrophobicContact CG2-CD1 4.04Å; V177-T268 CarbonylContact O-C 3.6Å; V177-T268 WeakPolarHBondContact O-CA 3.48Å; V177-L269 PolarHBondContact N-O 3.07Å; V177-L269 PolarHBondContact O-N 2.95Å; V177-I469 HydrophobicContact CG1-CG1 4.24Å; V177-I469 HydrophobicContact CG2-CG1 4.25Å; V177-I469 HydrophobicContact CG2-CG2 4.27Å
178	Q	97.3	Very high	93.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.9	-175.5	177.4	179.5	-85.1	0	0	110.5	L266 Y267 T268 F467 I468 A476	Q178-L266 HydrophobicContact CG-CD1 3.62Å; Q178-L266 HydrophobicContact CG-CD2 4.49Å; Q178-L266 HydrophobicContact CG-CG 4.06Å; Q178-Y267 VanDerWaalsContact CA-O 3.31Å; Q178-Y267 WeakPolarHBondContact CA-O 3.42Å; Q178-T268 HydrophobicContact CB-CG2 4.11Å; Q178-T268 HydrophobicContact CG-CG2 4.45Å; Q178-T268 WeakPolarHBondContact CG-OG1 3.44Å; Q178-T268 PolarHBondContact OE1-OG1 2.93Å; Q178-T268 VanDerWaalsContact OE1-OG1 3.11Å; Q178-F467 CarbonylContact O-C 3.35Å; Q178-F467 WeakPolarHBondContact O-CA 3.25Å; Q178-I468 HydrophobicContact CB-CG2 3.75Å; Q178-I468 HydrophobicContact CG-CG2 4.28Å; Q178-I468 PolarHBondContact N-O 2.91Å; Q178-I468 PolarHBondContact O-N 3.38Å; Q178-A476 PolarHBondContact NE2-O 2.82Å; Q178-A476 PolarHBondContact OE1-O 2.81Å
179	Y	97.3	Very high	93	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	163.4	171.7	70.1	-69.9	0	0	0	111.5	V181 A192 Y193 I194 F218 G219 Y267 F464 F467	Y179-V181 HydrophobicContact CD2-CG2 3.77Å; Y179-V181 HydrophobicContact CE2-CG2 3.3Å; Y179-A192 PolarHBondContact OH-O 2.95Å; Y179-Y193 WeakPolarHBondContact OH-CA 3.46Å; Y179-I194 HydrophobicContact CD1-CD1 3.89Å; Y179-I194 HydrophobicContact CD1-CG1 4.35Å; Y179-I194 HydrophobicContact CE1-CD1 3.75Å; Y179-I194 HydrophobicContact CE1-CG1 3.74Å; Y179-I194 HydrophobicContact CE1-CG2 4.32Å; Y179-I194 HydrophobicContact CE2-CG2 4.23Å; Y179-F218 HydrophobicContact CE1-CD1 4.02Å; Y179-F218 HydrophobicContact CE1-CE1 4.1Å; Y179-F218 PolarHBondContact OH-O 2.89Å; Y179-G219 WeakPolarHBondContact OH-CA 3.35Å; Y179-Y267 PolarHBondContact N-O 2.94Å; Y179-Y267 VanDerWaalsContact N-O 3.07Å; Y179-Y267 PolarHBondContact O-N 2.95Å; Y179-F464 HydrophobicContact CD2-CD1 4.29Å; Y179-F464 HydrophobicContact CE2-CD1 4.02Å; Y179-F464 HydrophobicContact CE2-CE1 4.33Å; Y179-F467 HydrophobicContact CD2-CD1 4.08Å; Y179-F467 AromaticContact CD2-CE1 3.52Å; Y179-F467 HydrophobicContact CD2-CE1 3.52Å; Y179-F467 HydrophobicContact CD2-CZ 4.24Å; Y179-F467 HydrophobicContact CE2-CE1 4.24Å; Y179-F467 AromaticContact CG-CD1 3.83Å; Y179-F467 HydrophobicContact CG-CD1 3.83Å; Y179-F467 AromaticContact CG-CE1 3.76Å; Y179-F467 HydrophobicContact CG-CE1 3.76Å
180	E	95.8	Very high	92.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.8	177.6	-68	171.2	-145.6	0	0	111.1	T264 H265 L266 F464 D465 N466 S483 W484 K487	E180-T264 HydrophobicContact CB-CG2 3.9Å; E180-T264 HydrophobicContact CG-CG2 4.31Å; E180-H265 WeakPolarHBondContact CA-O 3.15Å; E180-L266 HydrophobicContact CG-CD1 3.73Å; E180-F464 WeakPolarHBondContact O-CA 3.34Å; E180-D465 PolarHBondContact N-O 3.02Å; E180-D465 PolarHBondContact O-N 3.03Å; E180-N466 HydrophobicContact CG-CB 4.17Å; E180-N466 VanDerWaalsContact OE1-CB 3.25Å; E180-N466 WeakPolarHBondContact OE1-CB 3.36Å; E180-N466 PolarHBondContact OE1-ND2 2.92Å; E180-S483 PolarHBondContact OE1-OG 3.19Å; E180-W484 HydrophobicContact CG-CB 4.3Å; E180-W484 WeakPolarHBondContact OE1-CB 3.43Å; E180-W484 PolarHBondContact OE1-N 3.06Å; E180-K487 VanDerWaalsContact OE2-CD 3.29Å; E180-K487 WeakPolarHBondContact OE2-CD 3.45Å; E180-K487 WeakPolarHBondContact OE2-CE 3.21Å; E180-K487 IonicContact OE2-NZ 2.81Å; E180-K487 PolarHBondContact OE2-NZ 2.63Å
181	V	95.6	Very high	92.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.7	169.6	-176.2	0	0	0	0	109.9	Y179 F183 A192 P220 H265 Y267 I462 Y463 F464	Y179-V181 HydrophobicContact CD2-CG2 3.77Å; Y179-V181 HydrophobicContact CE2-CG2 3.3Å; V181-F183 HydrophobicContact CG1-CD1 4.35Å; V181-F183 HydrophobicContact CG1-CE1 3.91Å; V181-F183 HydrophobicContact CG1-CE2 4.24Å; V181-F183 HydrophobicContact CG1-CZ 3.85Å; V181-A192 HydrophobicContact CG1-CB 3.83Å; V181-A192 HydrophobicContact CG2-CB 4.45Å; V181-P220 HydrophobicContact CG2-CG 4.22Å; V181-H265 PolarHBondContact N-O 2.96Å; V181-H265 PolarHBondContact O-N 2.84Å; V181-Y267 HydrophobicContact CB-CD2 4.16Å; V181-Y267 HydrophobicContact CB-CE2 3.9Å; V181-Y267 HydrophobicContact CG2-CD2 4.01Å; V181-Y267 HydrophobicContact CG2-CE2 4.19Å; V181-I462 HydrophobicContact CG1-CG2 3.91Å; V181-Y463 WeakPolarHBondContact CA-O 3.38Å; V181-F464 HydrophobicContact CG2-CD1 4.01Å; V181-F464 HydrophobicContact CG2-CE1 4.13Å
182	N	94.5	Very high	93	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.053	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.1	167.9	-176.3	-53	0	0	0	110.6	L138 Q184 K262 K263 T264 Y463	L138-N182 HydrophobicContact CD2-CB 3.92Å; N182-Q184 HydrophobicContact CB-CG 4.47Å; N182-Q184 PolarHBondContact O-N 3.32Å; N182-Q184 VanDerWaalsContact OD1-CA 3.29Å; N182-Q184 WeakPolarHBondContact OD1-CA 3.44Å; N182-Q184 WeakPolarHBondContact OD1-CG 3.34Å; N182-Q184 PolarHBondContact OD1-N 2.93Å; N182-K262 PolarHBondContact ND2-O 2.86Å; N182-K262 PolarHBondContact OD1-O 3.03Å; N182-K263 PolarHBondContact ND2-O 2.87Å; N182-T264 HydrophobicContact CB-CG2 4.32Å; N182-T264 PolarHBondContact ND2-N 3.41Å; N182-T264 PolarHBondContact ND2-OG1 3.31Å; N182-Y463 HydrophobicContact CB-CD1 4.18Å; N182-Y463 PolarHBondContact N-O 3.32Å; N182-Y463 PolarHBondContact O-N 2.05Å
183	F	93.8	Very high	93.4	Very high	4 Å²	4	19 Å²	19	2%	0.018	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	76.4	174.4	-58.1	-67.6	0	0	0	110.6	V181 D185 G186 I187 A192 P220 Y259 I462	V181-F183 HydrophobicContact CG1-CD1 4.35Å; V181-F183 HydrophobicContact CG1-CE1 3.91Å; V181-F183 HydrophobicContact CG1-CE2 4.24Å; V181-F183 HydrophobicContact CG1-CZ 3.85Å; F183-D185 PolarHBondContact O-N 2.83Å; F183-G186 WeakPolarHBondContact O-CA 3.26Å; F183-G186 PolarHBondContact O-N 3.14Å; F183-I187 HydrophobicContact CB-CB 4.33Å; F183-I187 HydrophobicContact CB-CG2 4.12Å; F183-I187 HydrophobicContact CD1-CB 3.76Å; F183-I187 HydrophobicContact CD1-CD1 3.75Å; F183-I187 HydrophobicContact CD1-CG1 4.38Å; F183-I187 HydrophobicContact CD1-CG2 3.64Å; F183-I187 HydrophobicContact CD2-CG2 3.92Å; F183-I187 HydrophobicContact CE1-CB 4.25Å; F183-I187 HydrophobicContact CE1-CD1 3.48Å; F183-I187 VanDerWaalsContact CE1-CD1 3.48Å; F183-I187 HydrophobicContact CE1-CG1 4.48Å; F183-I187 HydrophobicContact CE1-CG2 3.94Å; F183-I187 HydrophobicContact CE2-CG2 4.19Å; F183-I187 HydrophobicContact CG-CB 4.08Å; F183-I187 HydrophobicContact CG-CG2 3.62Å; F183-I187 HydrophobicContact CZ-CD1 4.32Å; F183-I187 HydrophobicContact CZ-CG2 4.2Å; F183-A192 HydrophobicContact CE1-CB 3.72Å; F183-A192 HydrophobicContact CZ-CB 3.96Å; F183-P220 HydrophobicContact CZ-CB 4.18Å; F183-P220 HydrophobicContact CZ-CG 4.16Å; F183-Y259 AromaticContact CE2-CD1 3.85Å; F183-Y259 HydrophobicContact CE2-CD1 3.85Å; F183-Y259 HydrophobicContact CE2-CE1 4.39Å; F183-Y259 HydrophobicContact CE2-CG 4.21Å; F183-Y259 HydrophobicContact CZ-CD1 4.14Å; F183-Y259 HydrophobicContact CZ-CE1 4.42Å; F183-I462 HydrophobicContact CD1-CD1 4.38Å; F183-I462 HydrophobicContact CD1-CG1 4.17Å; F183-I462 HydrophobicContact CD1-CG2 3.95Å; F183-I462 HydrophobicContact CE1-CD1 4.37Å; F183-I462 HydrophobicContact CE1-CG2 3.99Å
184	Q	90	Very high	93.6	Very high	15 Å²	15	14.5 Å²	14.5	7%	0.07	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-39.9	-164.7	-60.8	175.9	94.3	0	0	114.1	L138 K139 N182 G186 K262 D461	L138-Q184 HydrophobicContact CD2-CG 4.4Å; K139-Q184 HydrophobicContact CD-CB 4.18Å; N182-Q184 HydrophobicContact CB-CG 4.47Å; N182-Q184 PolarHBondContact O-N 3.32Å; N182-Q184 VanDerWaalsContact OD1-CA 3.29Å; N182-Q184 WeakPolarHBondContact OD1-CA 3.44Å; N182-Q184 WeakPolarHBondContact OD1-CG 3.34Å; N182-Q184 PolarHBondContact OD1-N 2.93Å; Q184-G186 VanDerWaalsContact C-N 3.31Å; Q184-K262 WeakPolarHBondContact O-CD 3.31Å; Q184-D461 HydrophobicContact CB-CB 4.25Å; Q184-D461 WeakPolarHBondContact CB-O 3.4Å; Q184-D461 WeakPolarHBondContact CG-O 3.48Å; Q184-D461 PolarHBondContact N-O 3.43Å; Q184-D461 PolarHBondContact NE2-O 3.03Å
185	D	88.4	Confident	93.6	Very high	54 Å²	54	13.5 Å²	13.5	29%	0.289	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.5	174.9	-76.7	5.2	0	0	0	112.4	K139 R154 F183 K262	K139-D185 IonicContact NZ-OD1 3.39Å; K139-D185 PolarHBondContact NZ-OD1 3.27Å; K139-D185 IonicContact NZ-OD2 3.93Å; R154-D185 IonicContact CZ-OD2 2.72Å; R154-D185 IonicContact NH2-OD2 3.51Å; R154-D185 PolarHBondContact NH2-OD2 2.94Å; F183-D185 PolarHBondContact O-N 2.83Å; D185-K262 WeakPolarHBondContact O-CE 3.41Å; D185-K262 PolarHBondContact O-NZ 3.49Å
186	G	86.6	Confident	93.6	Very high	15 Å²	15	13.6 Å²	13.6	16%	0.155	7%	0.074	C	C	.	.			trans	91.5	169.8	-154.8	0	0	0	0	0	111.9	F183 Q184 T459	F183-G186 WeakPolarHBondContact O-CA 3.26Å; F183-G186 PolarHBondContact O-N 3.14Å; Q184-G186 VanDerWaalsContact C-N 3.31Å; G186-T459 PolarHBondContact O-OG1 3.48Å
187	I	89.7	Confident	93.6	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.021	7%	0.074	C	C	.	.			trans	-134.1	128.6	175.2	-173.4	161.7	0	0	0	111.2	F183 G190 K222 Y259 I462	F183-I187 HydrophobicContact CB-CB 4.33Å; F183-I187 HydrophobicContact CB-CG2 4.12Å; F183-I187 HydrophobicContact CD1-CB 3.76Å; F183-I187 HydrophobicContact CD1-CD1 3.75Å; F183-I187 HydrophobicContact CD1-CG1 4.38Å; F183-I187 HydrophobicContact CD1-CG2 3.64Å; F183-I187 HydrophobicContact CD2-CG2 3.92Å; F183-I187 HydrophobicContact CE1-CB 4.25Å; F183-I187 HydrophobicContact CE1-CD1 3.48Å; F183-I187 VanDerWaalsContact CE1-CD1 3.48Å; F183-I187 HydrophobicContact CE1-CG1 4.48Å; F183-I187 HydrophobicContact CE1-CG2 3.94Å; F183-I187 HydrophobicContact CE2-CG2 4.19Å; F183-I187 HydrophobicContact CG-CB 4.08Å; F183-I187 HydrophobicContact CG-CG2 3.62Å; F183-I187 HydrophobicContact CZ-CD1 4.32Å; F183-I187 HydrophobicContact CZ-CG2 4.2Å; I187-G190 VanDerWaalsContact CD1-O 3.28Å; I187-G190 WeakPolarHBondContact CD1-O 3.47Å; I187-K222 HydrophobicContact CG2-CD 4.09Å; I187-K222 VanDerWaalsContact O-CD 3.29Å; I187-K222 WeakPolarHBondContact O-CD 3.48Å; I187-K222 WeakPolarHBondContact O-CE 3.3Å; I187-K222 PolarHBondContact O-NZ 2.97Å; I187-Y259 HydrophobicContact CG2-CD1 4.3Å; I187-I462 HydrophobicContact CD1-CD1 3.86Å
188	D	90.6	Very high	93.4	Very high	110 Å²	110	14 Å²	14	59%	0.588	8%	0.077	S	C	*	.	S	Bend	trans	-100.5	-54.4	-179.6	-59.2	-46.4	0	0	0	111.1	G224 T459	D188-G224 PolarHBondContact O-N 2.99Å; D188-T459 HydrophobicContact CB-CG2 4.25Å; D188-T459 WeakPolarHBondContact OD2-CG2 3.25Å
189	C	91.8	Very high	93.1	Very high	15 Å²	15	17.2 Å²	17.2	10%	0.101	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	122.5	169.7	-177.3	0	0	0	0	110.3	K222 C223 W456 M458	C189-K222 CarbonylContact C-O 3.52Å; C189-K222 VanDerWaalsContact CA-O 3.28Å; C189-K222 WeakPolarHBondContact CA-O 3.25Å; C189-C223 HydrophobicContact CB-CB 3.94Å; C189-C223 WeakPolarHBondContact CB-SG 3.43Å; C189-C223 WeakPolarHBondContact SG-CB 3.32Å; C189-C223 CovalentContact SG-SG 2.05Å; C189-C223 PolarHBondContact SG-SG 2.64Å; C189-W456 WeakPolarHBondContact SG-CZ3 3.45Å; C189-M458 HydrophobicContact CB-CG 4.27Å; C189-M458 WeakPolarHBondContact O-CB 3.23Å; C189-M458 PolarHBondContact O-N 2.85Å
190	G	90.8	Very high	92.4	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	157.5	179.1	0	0	0	0	0	113	I187 K222 W456	I187-G190 VanDerWaalsContact CD1-O 3.28Å; I187-G190 WeakPolarHBondContact CD1-O 3.47Å; G190-K222 PolarHBondContact N-O 3.19Å; G190-K222 PolarHBondContact O-N 2.69Å; G190-K222 VanDerWaalsContact O-N 3.12Å; G190-W456 VanDerWaalsContact CA-O 3.23Å; G190-W456 WeakPolarHBondContact CA-O 3.48Å
191	G	90.3	Very high	91.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	153.1	175.3	0	0	0	0	0	113.1	D221 W456	G191-D221 VanDerWaalsContact CA-OD1 3.26Å; G191-D221 WeakPolarHBondContact CA-OD1 3.4Å; G191-D221 PolarHBondContact N-OD1 3.43Å; G191-W456 PolarHBondContact N-O 3.2Å
192	A	94.8	Very high	90.4	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.186	C	C	.	.			trans	-139.1	35.8	169.1	0	0	0	0	0	111.8	Y179 V181 F183 P220 I462 F464	Y179-A192 PolarHBondContact OH-O 2.95Å; V181-A192 HydrophobicContact CG1-CB 3.83Å; V181-A192 HydrophobicContact CG2-CB 4.45Å; F183-A192 HydrophobicContact CE1-CB 3.72Å; F183-A192 HydrophobicContact CZ-CB 3.96Å; A192-P220 CarbonylContact C-O 3.56Å; A192-P220 WeakPolarHBondContact CA-O 3.18Å; A192-P220 HydrophobicContact CB-CG 4.07Å; A192-P220 PolarHBondContact N-O 2.79Å; A192-I462 HydrophobicContact CB-CG2 4.03Å; A192-F464 HydrophobicContact CB-CE1 3.69Å; A192-F464 HydrophobicContact CB-CZ 3.69Å
193	Y	95.8	Very high	89.8	Confident	34 Å²	34	29.2 Å²	29.2	13%	0.133	19%	0.192	C	C	.	.			trans	-90.4	151.3	177.2	48.5	-100.9	0	0	0	113.9	Y179 M217 F218 P220 D221 H230 E454 L455	Y179-Y193 WeakPolarHBondContact OH-CA 3.46Å; Y193-M217 HydrophobicContact CD2-CG 3.76Å; Y193-M217 HydrophobicContact CD2-SD 3.54Å; Y193-M217 VanDerWaalsContact CD2-SD 3.54Å; Y193-M217 HydrophobicContact CE2-CG 4.44Å; Y193-M217 HydrophobicContact CE2-SD 3.65Å; Y193-M217 HydrophobicContact CG-CG 4.15Å; Y193-M217 HydrophobicContact CG-SD 4.05Å; Y193-F218 CarbonylContact C-O 3.57Å; Y193-F218 WeakPolarHBondContact CA-O 3.37Å; Y193-F218 WeakPolarHBondContact CB-O 3.45Å; Y193-P220 PolarHBondContact N-O 3.48Å; Y193-D221 HydrophobicContact CD1-CB 4.04Å; Y193-D221 HydrophobicContact CE1-CB 4.21Å; Y193-H230 AromaticContact CD1-CD2 3.95Å; Y193-E454 VanDerWaalsContact CE2-O 3.32Å; Y193-E454 WeakPolarHBondContact CE2-O 3.3Å; Y193-L455 HydrophobicContact CD1-CD2 4.33Å; Y193-L455 HydrophobicContact CD2-CD2 3.81Å; Y193-L455 HydrophobicContact CE1-CD2 4.31Å; Y193-L455 HydrophobicContact CE2-CD2 3.74Å; Y193-L455 HydrophobicContact CG-CD2 4.11Å; Y193-L455 WeakPolarHBondContact O-CD2 3.31Å
194	I	96.9	Very high	89.4	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	149.6	169.2	50.1	171.3	0	0	0	111.6	V177 Y179 L196 M217 F218 L451 L453 F467	V177-I194 HydrophobicContact CG1-CD1 3.4Å; V177-I194 VanDerWaalsContact CG1-CD1 3.4Å; Y179-I194 HydrophobicContact CD1-CD1 3.89Å; Y179-I194 HydrophobicContact CD1-CG1 4.35Å; Y179-I194 HydrophobicContact CE1-CD1 3.75Å; Y179-I194 HydrophobicContact CE1-CG1 3.74Å; Y179-I194 HydrophobicContact CE1-CG2 4.32Å; Y179-I194 HydrophobicContact CE2-CG2 4.23Å; I194-L196 HydrophobicContact CD1-CD2 4.44Å; I194-M217 VanDerWaalsContact O-CA 3.29Å; I194-M217 WeakPolarHBondContact O-CA 3.1Å; I194-F218 HydrophobicContact CD1-CD1 4.45Å; I194-F218 HydrophobicContact CG1-CB 4.45Å; I194-F218 VanDerWaalsContact CG1-O 3.24Å; I194-F218 WeakPolarHBondContact CG1-O 3.41Å; I194-F218 PolarHBondContact N-O 3.35Å; I194-F218 PolarHBondContact O-N 2.87Å; I194-L451 HydrophobicContact CB-CD1 4.4Å; I194-L451 HydrophobicContact CB-CG 4.42Å; I194-L451 HydrophobicContact CD1-CD1 4.08Å; I194-L451 HydrophobicContact CG2-CD1 4.18Å; I194-L451 HydrophobicContact CG2-CD2 4.11Å; I194-L451 HydrophobicContact CG2-CG 4.27Å; I194-L453 HydrophobicContact CG2-CD2 3.59Å; I194-L453 HydrophobicContact CG2-CG 4.37Å; I194-F467 HydrophobicContact CG2-CD1 4.25Å; I194-F467 HydrophobicContact CG2-CE1 3.63Å
195	K	96.5	Very high	89.3	Confident	13 Å²	13	30.8 Å²	30.8	6%	0.057	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.5	170.1	-59.6	-175.2	-171.3	-173.1	0	109.3	L197 Y214 M217 G452 E454	K195-L197 HydrophobicContact CB-CD2 3.92Å; K195-L197 PolarHBondContact O-N 3.22Å; K195-Y214 HydrophobicContact CB-CG 4.46Å; K195-Y214 HydrophobicContact CD-CD1 4.49Å; K195-M217 HydrophobicContact CD-CE 4.21Å; K195-M217 HydrophobicContact CG-CB 4.35Å; K195-M217 HydrophobicContact CG-CE 4.38Å; K195-M217 HydrophobicContact CG-CG 3.96Å; K195-M217 HydrophobicContact CG-SD 4.46Å; K195-G452 PolarHBondContact N-O 3.02Å; K195-G452 PolarHBondContact O-N 3.44Å; K195-E454 HydrophobicContact CD-CB 4.31Å; K195-E454 IonicContact NZ-OE2 2.84Å; K195-E454 PolarHBondContact NZ-OE2 3.01Å
196	L	96.3	Very high	89.2	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	104.8	175.6	-56.4	-176.4	0	0	0	108.8	L175 V177 I194 Y214 T215 I216 F448 A450 L451 I469	L175-L196 HydrophobicContact CD2-CD1 4.27Å; V177-L196 HydrophobicContact CG2-CD1 4.04Å; I194-L196 HydrophobicContact CD1-CD2 4.44Å; L196-Y214 CarbonylContact O-C 3.52Å; L196-Y214 WeakPolarHBondContact O-CA 3.28Å; L196-Y214 WeakPolarHBondContact O-CB 3.48Å; L196-T215 PolarHBondContact O-N 3.25Å; L196-I216 HydrophobicContact CB-CB 4.44Å; L196-I216 HydrophobicContact CD1-CB 4.02Å; L196-I216 HydrophobicContact CD1-CD1 4.31Å; L196-I216 HydrophobicContact CD1-CG1 4.5Å; L196-I216 HydrophobicContact CG-CB 4.36Å; L196-I216 PolarHBondContact N-O 2.82Å; L196-F448 HydrophobicContact CB-CB 4.24Å; L196-F448 HydrophobicContact CB-CD1 4.36Å; L196-F448 HydrophobicContact CB-CD2 3.77Å; L196-F448 HydrophobicContact CB-CE2 4.15Å; L196-F448 HydrophobicContact CB-CG 3.89Å; L196-F448 HydrophobicContact CD1-CD1 4.35Å; L196-F448 HydrophobicContact CD1-CD2 4.32Å; L196-F448 HydrophobicContact CD1-CE1 3.94Å; L196-F448 HydrophobicContact CD1-CE2 3.89Å; L196-F448 HydrophobicContact CD1-CZ 3.7Å; L196-F448 HydrophobicContact CD2-CD2 4.36Å; L196-F448 HydrophobicContact CD2-CE2 4.03Å; L196-F448 HydrophobicContact CG-CD2 4.36Å; L196-F448 HydrophobicContact CG-CE2 4.24Å; L196-A450 CarbonylContact C-O 3.48Å; L196-L451 HydrophobicContact CD2-CB 4.39Å; L196-L451 HydrophobicContact CD2-CD1 4.11Å; L196-L451 HydrophobicContact CD2-CG 4.31Å; L196-I469 HydrophobicContact CD2-CD1 4.07Å
197	L	95.4	Very high	89.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.9	-167.8	-48.2	-174.6	0	0	0	111.5	A161 K195 L203 L205 F208 T212 F448 K449 A450	A161-L197 HydrophobicContact CB-CD1 4.15Å; K195-L197 HydrophobicContact CB-CD2 3.92Å; K195-L197 PolarHBondContact O-N 3.22Å; L197-L203 HydrophobicContact CB-CD1 3.97Å; L197-L203 HydrophobicContact CB-CD2 4.28Å; L197-L203 HydrophobicContact CD1-CD1 4.16Å; L197-L205 HydrophobicContact CD1-CD2 4.38Å; L197-F208 HydrophobicContact CD1-CD2 3.89Å; L197-F208 HydrophobicContact CD1-CE2 3.83Å; L197-F208 HydrophobicContact CD1-CG 4.36Å; L197-F208 HydrophobicContact CD1-CZ 4.2Å; L197-F208 HydrophobicContact CD2-CD2 4.25Å; L197-F208 HydrophobicContact CD2-CE2 3.47Å; L197-F208 VanDerWaalsContact CD2-CE2 3.47Å; L197-F208 HydrophobicContact CD2-CZ 3.89Å; L197-F208 HydrophobicContact CG-CE2 4.3Å; L197-T212 HydrophobicContact CD2-CG2 4.48Å; L197-F448 WeakPolarHBondContact O-CA 3.49Å; L197-F448 WeakPolarHBondContact O-CB 3.27Å; L197-K449 PolarHBondContact O-N 3.36Å; L197-A450 HydrophobicContact CB-CB 4.17Å; L197-A450 HydrophobicContact CD1-CB 4.14Å; L197-A450 HydrophobicContact CG-CB 4.36Å; L197-A450 PolarHBondContact N-O 3Å
198	S	93.4	Very high	89.1	Confident	12 Å²	12	38 Å²	38	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	142.8	-171.7	-53.9	0	0	0	0	112.2	S200 P213 Y214 T215 S447	S198-S200 VanDerWaalsContact C-N 3.3Å; S198-S200 PolarHBondContact O-N 2.71Å; S198-P213 PolarHBondContact N-O 3.21Å; S198-P213 PolarHBondContact OG-O 3.19Å; S198-Y214 PolarHBondContact OG-O 3.34Å; S198-T215 PolarHBondContact OG-N 2.86Å; S198-T215 VanDerWaalsContact OG-N 3.1Å; S198-T215 PolarHBondContact OG-OG1 2.78Å; S198-S447 CarbonylContact C-O 3.53Å; S198-S447 WeakPolarHBondContact CA-O 3.28Å
199	D	90.3	Very high	89	Confident	69 Å²	69	35.2 Å²	35.2	37%	0.369	22%	0.216	S	C	.	.			trans	-70.8	85	178.4	-170.8	27.8	0	0	0	110.7	S447 K449	D199-S447 PolarHBondContact N-O 2.95Å; D199-K449 HydrophobicContact CB-CB 4.07Å; D199-K449 WeakPolarHBondContact OD1-CD 3.28Å; D199-K449 IonicContact OD1-NZ 3.62Å
200	S	82.3	Confident	88.7	Confident	32 Å²	32	36.4 Å²	36.4	22%	0.224	22%	0.221	C	C	.	.			trans	-113.4	140.4	175.1	60.3	0	0	0	0	109.6	S198 S202 L203	S198-S200 VanDerWaalsContact C-N 3.3Å; S198-S200 PolarHBondContact O-N 2.71Å; S200-S202 PolarHBondContact O-N 2.85Å; S200-S202 PolarHBondContact OG-OG 2.87Å; S200-L203 WeakPolarHBondContact O-CB 3.33Å; S200-L203 PolarHBondContact O-N 2.87Å
201	G	73.6	Confident	88.6	Confident	100 Å²	100	42.8 Å²	42.8	100%	1.031	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-4.6	178.2	0	0	0	0	0	114.8
202	S	75.8	Confident	88.6	Confident	96 Å²	96	43.3 Å²	43.3	67%	0.671	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-3	175.9	48	0	0	0	0	113.9	S200 S204	S200-S202 PolarHBondContact O-N 2.85Å; S200-S202 PolarHBondContact OG-OG 2.87Å; S202-S204 PolarHBondContact O-N 2.96Å; S202-S204 VanDerWaalsContact O-N 3.17Å
203	L	83	Confident	88.5	Confident	35 Å²	35	46 Å²	46	18%	0.183	27%	0.265	C	S	.	.			trans	-65	114.7	-177.5	-177.1	65.9	0	0	0	110.9	L197 S200 L205 T212 A450	L197-L203 HydrophobicContact CB-CD1 3.97Å; L197-L203 HydrophobicContact CB-CD2 4.28Å; L197-L203 HydrophobicContact CD1-CD1 4.16Å; S200-L203 WeakPolarHBondContact O-CB 3.33Å; S200-L203 PolarHBondContact O-N 2.87Å; L203-L205 HydrophobicContact CG-CD2 4.46Å; L203-T212 HydrophobicContact CD1-CG2 4.17Å; L203-A450 HydrophobicContact CD2-CB 4.17Å
204	S	85.6	Confident	88.4	Confident	48 Å²	48	44.7 Å²	44.7	34%	0.336	26%	0.26	S	S	.	.			trans	-130.9	126.8	172	66.9	0	0	0	0	110.2	S202 E206 Q207	S202-S204 PolarHBondContact O-N 2.96Å; S202-S204 VanDerWaalsContact O-N 3.17Å; S204-E206 PolarHBondContact O-N 2.98Å; S204-Q207 PolarHBondContact O-N 3.41Å; S204-Q207 WeakPolarHBondContact OG-CB 3.47Å; S204-Q207 WeakPolarHBondContact OG-CG 3.35Å; S204-Q207 PolarHBondContact OG-OE1 2.8Å
205	L	86.5	Confident	88.3	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-72.8	-30.5	-170.2	-53.2	-173.1	0	0	0	112.3	Q113 A161 M163 L197 L203 Q207 F208 A450	Q113-L205 HydrophobicContact CB-CB 3.91Å; Q113-L205 HydrophobicContact CB-CD1 4.35Å; A161-L205 HydrophobicContact CB-CB 4.44Å; A161-L205 HydrophobicContact CB-CD1 4.4Å; A161-L205 HydrophobicContact CB-CD2 3.97Å; A161-L205 HydrophobicContact CB-CG 4.49Å; M163-L205 HydrophobicContact CE-CD1 4.12Å; M163-L205 HydrophobicContact CE-CG 4.15Å; M163-L205 HydrophobicContact CG-CD1 3.77Å; L197-L205 HydrophobicContact CD1-CD2 4.38Å; L203-L205 HydrophobicContact CG-CD2 4.46Å; L205-Q207 PolarHBondContact O-N 3.04Å; L205-Q207 VanDerWaalsContact O-N 3.15Å; L205-F208 VanDerWaalsContact O-CB 3.31Å; L205-F208 WeakPolarHBondContact O-CB 3.33Å; L205-F208 PolarHBondContact O-N 3.36Å; L205-A450 HydrophobicContact CD2-CB 3.8Å
206	E	87.1	Confident	88.3	Confident	98 Å²	98	44 Å²	44	46%	0.458	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-62.1	-18.8	173.2	-57.4	-165.7	124.6	0	0	113.6	S115 K116 S204	S115-E206 PolarHBondContact OG-O 3.24Å; K116-E206 HydrophobicContact CD-CB 4.5Å; K116-E206 PolarHBondContact N-O 2.93Å; K116-E206 IonicContact NZ-OE1 3.63Å; K116-E206 PolarHBondContact NZ-OE1 2.92Å; S204-E206 PolarHBondContact O-N 2.98Å
207	Q	86.6	Confident	88.3	Confident	124 Å²	124	44.6 Å²	44.6	58%	0.579	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-108.5	17.8	-179.9	-58.5	-174.6	-9.5	0	0	112.6	S204 L205 H209	S204-Q207 PolarHBondContact O-N 3.41Å; S204-Q207 WeakPolarHBondContact OG-CB 3.47Å; S204-Q207 WeakPolarHBondContact OG-CG 3.35Å; S204-Q207 PolarHBondContact OG-OE1 2.8Å; L205-Q207 PolarHBondContact O-N 3.04Å; L205-Q207 VanDerWaalsContact O-N 3.15Å; Q207-H209 PolarHBondContact O-N 2.76Å; Q207-H209 PolarHBondContact O-ND1 2.65Å
208	F	88.7	Confident	88.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	26%	0.26	C	S	.	.			trans	-66	128.5	-178.3	-178.9	-143.7	0	0	0	112.1	S115 T117 A159 A161 L197 L205 T212 E454	S115-F208 VanDerWaalsContact CB-O 3.24Å; S115-F208 WeakPolarHBondContact CB-O 3.29Å; S115-F208 PolarHBondContact OG-N 3.04Å; S115-F208 PolarHBondContact OG-O 2.93Å; T117-F208 WeakPolarHBondContact CG2-O 3.34Å; A159-F208 HydrophobicContact CB-CD1 4.02Å; A161-F208 HydrophobicContact CB-CD1 3.91Å; A161-F208 HydrophobicContact CB-CE1 4.2Å; L197-F208 HydrophobicContact CD1-CD2 3.89Å; L197-F208 HydrophobicContact CD1-CE2 3.83Å; L197-F208 HydrophobicContact CD1-CG 4.36Å; L197-F208 HydrophobicContact CD1-CZ 4.2Å; L197-F208 HydrophobicContact CD2-CD2 4.25Å; L197-F208 HydrophobicContact CD2-CE2 3.47Å; L197-F208 VanDerWaalsContact CD2-CE2 3.47Å; L197-F208 HydrophobicContact CD2-CZ 3.89Å; L197-F208 HydrophobicContact CG-CE2 4.3Å; L205-F208 VanDerWaalsContact O-CB 3.31Å; L205-F208 WeakPolarHBondContact O-CB 3.33Å; L205-F208 PolarHBondContact O-N 3.36Å; F208-T212 HydrophobicContact CD2-CG2 4Å; F208-T212 HydrophobicContact CE2-CG2 4.44Å; F208-E454 HydrophobicContact CE1-CB 3.81Å; F208-E454 HydrophobicContact CE2-CB 4.14Å; F208-E454 HydrophobicContact CZ-CB 3.53Å
209	H	87.5	Confident	88.6	Confident	52 Å²	52	44.1 Å²	44.1	24%	0.241	26%	0.256	C	S	.	.			trans	-155.5	169.6	-176.5	60.9	-72.5	0	0	0	111.2	T117 Y129 Q207 R211 T212	T117-H209 HydrophobicContact CG2-CB 3.78Å; Y129-H209 HydrophobicContact CE2-CB 3.72Å; Q207-H209 PolarHBondContact O-N 2.76Å; Q207-H209 PolarHBondContact O-ND1 2.65Å; H209-R211 VanDerWaalsContact C-N 3.35Å; H209-R211 PolarHBondContact CD2-N 2.86Å; H209-R211 PolarHBondContact O-N 3.42Å; H209-T212 PolarHBondContact CE1-OG1 2.88Å; H209-T212 PolarHBondContact N-OG1 3.08Å; H209-T212 PolarHBondContact ND1-OG1 3.22Å; H209-T212 WeakPolarHBondContact O-CB 3.47Å; H209-T212 PolarHBondContact O-N 2.72Å; H209-T212 PolarHBondContact O-OG1 2.86Å
210	D	85.9	Confident	88.8	Confident	40 Å²	40	40.8 Å²	40.8	21%	0.214	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-46.1	180	63.6	-12.3	0	0	0	116	K119 Y129 T212 E454	K119-D210 WeakPolarHBondContact CD-OD2 3.36Å; K119-D210 WeakPolarHBondContact CE-OD2 3.41Å; K119-D210 IonicContact NZ-OD2 3.57Å; K119-D210 PolarHBondContact NZ-OD2 3.16Å; Y129-D210 PolarHBondContact OH-N 3.09Å; D210-T212 VanDerWaalsContact C-N 3.28Å; D210-T212 PolarHBondContact O-N 3Å; D210-E454 WeakPolarHBondContact CA-OE2 3.21Å
211	R	87.5	Confident	89.4	Confident	135 Å²	135	40.9 Å²	40.9	51%	0.509	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.5	178.9	-61.6	174.2	167.3	143.4	6.7	114.9	E120 D121 H209	E120-R211 IonicContact OE2-NH1 2.72Å; E120-R211 PolarHBondContact OE2-NH1 3.01Å; D121-R211 IonicContact OD2-CZ 2.87Å; D121-R211 IonicContact OD2-NH1 3.53Å; D121-R211 PolarHBondContact OD2-NH1 2.9Å; D121-R211 IonicContact OD2-NH2 3.38Å; D121-R211 PolarHBondContact OD2-NH2 2.86Å; H209-R211 VanDerWaalsContact C-N 3.35Å; H209-R211 PolarHBondContact CD2-N 2.86Å; H209-R211 PolarHBondContact O-N 3.42Å
212	T	90.5	Very high	90.3	Very high	11 Å²	11	37 Å²	37	7%	0.067	19%	0.191	C	C	.	.	S	Bend	trans	-59.8	131	-179.4	-57.9	0	0	0	0	110.2	L197 L203 F208 H209 D210 Y214	L197-T212 HydrophobicContact CD2-CG2 4.48Å; L203-T212 HydrophobicContact CD1-CG2 4.17Å; F208-T212 HydrophobicContact CD2-CG2 4Å; F208-T212 HydrophobicContact CE2-CG2 4.44Å; H209-T212 PolarHBondContact CE1-OG1 2.88Å; H209-T212 PolarHBondContact N-OG1 3.08Å; H209-T212 PolarHBondContact ND1-OG1 3.22Å; H209-T212 WeakPolarHBondContact O-CB 3.47Å; H209-T212 PolarHBondContact O-N 2.72Å; H209-T212 PolarHBondContact O-OG1 2.86Å; D210-T212 VanDerWaalsContact C-N 3.28Å; D210-T212 PolarHBondContact O-N 3Å; T212-Y214 PolarHBondContact O-N 3.11Å; T212-Y214 VanDerWaalsContact O-N 3.1Å
213	P	92.2	Very high	91.1	Very high	56 Å²	56	35.7 Å²	35.7	36%	0.364	18%	0.182	S	C	.	.			trans	-63.4	116.3	-179.5	25.1	-34.1	0	0	0	111.2	S198	S198-P213 PolarHBondContact N-O 3.21Å; S198-P213 PolarHBondContact OG-O 3.19Å
214	Y	94.6	Very high	91.4	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.027	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.6	174	69.7	-86.8	0	0	0	109.6	K195 L196 S198 T212 M217 R234 E245	K195-Y214 HydrophobicContact CB-CG 4.46Å; K195-Y214 HydrophobicContact CD-CD1 4.49Å; L196-Y214 CarbonylContact O-C 3.52Å; L196-Y214 WeakPolarHBondContact O-CA 3.28Å; L196-Y214 WeakPolarHBondContact O-CB 3.48Å; S198-Y214 PolarHBondContact OG-O 3.34Å; T212-Y214 PolarHBondContact O-N 3.11Å; T212-Y214 VanDerWaalsContact O-N 3.1Å; Y214-M217 HydrophobicContact CD2-CB 4.11Å; Y214-M217 HydrophobicContact CE1-CE 4.07Å; Y214-M217 HydrophobicContact CE2-CB 3.68Å; Y214-M217 HydrophobicContact CE2-CE 3.86Å; Y214-M217 WeakPolarHBondContact OH-CE 3.39Å; Y214-R234 HydrophobicContact CD2-CG 4.35Å; Y214-R234 HydrophobicContact CE2-CG 3.94Å; Y214-R234 WeakPolarHBondContact O-CD 3.27Å; Y214-R234 WeakPolarHBondContact O-CG 3.39Å; Y214-E245 WeakPolarHBondContact CE1-OE1 3.45Å; Y214-E245 WeakPolarHBondContact OH-CG 3.37Å; Y214-E245 PolarHBondContact OH-OE1 3.48Å
215	T	95.3	Very high	91.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-46.4	178.4	-61.2	0	0	0	0	110.6	F170 L196 S198 F233 R234 M445 T446	F170-T215 HydrophobicContact CE2-CG2 3.9Å; F170-T215 HydrophobicContact CZ-CG2 4.26Å; L196-T215 PolarHBondContact O-N 3.25Å; S198-T215 PolarHBondContact OG-N 2.86Å; S198-T215 VanDerWaalsContact OG-N 3.1Å; S198-T215 PolarHBondContact OG-OG1 2.78Å; T215-F233 VanDerWaalsContact O-CA 3.3Å; T215-F233 WeakPolarHBondContact O-CA 3.31Å; T215-R234 PolarHBondContact O-N 2.93Å; T215-M445 HydrophobicContact CG2-CB 4.14Å; T215-M445 HydrophobicContact CG2-CG 3.51Å; T215-M445 HydrophobicContact CG2-SD 3.36Å; T215-M445 WeakPolarHBondContact CG2-SD 3.46Å; T215-T446 WeakPolarHBondContact CB-O 3.29Å; T215-T446 WeakPolarHBondContact CG2-O 3.21Å; T215-T446 PolarHBondContact OG1-O 2.9Å; T215-T446 PolarHBondContact OG1-OG1 3.15Å; T215-T446 VanDerWaalsContact OG1-OG1 3.05Å
216	I	96.6	Very high	91.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140	180	-54.7	-179.6	0	0	0	109.3	F170 L175 L196 F218 F231 I232 F233 L269 L271 M445	F170-I216 HydrophobicContact CE1-CD1 4.34Å; F170-I216 HydrophobicContact CZ-CD1 4.08Å; L175-I216 HydrophobicContact CD2-CD1 3.63Å; L196-I216 HydrophobicContact CB-CB 4.44Å; L196-I216 HydrophobicContact CD1-CB 4.02Å; L196-I216 HydrophobicContact CD1-CD1 4.31Å; L196-I216 HydrophobicContact CD1-CG1 4.5Å; L196-I216 HydrophobicContact CG-CB 4.36Å; L196-I216 PolarHBondContact N-O 2.82Å; I216-F218 HydrophobicContact CG2-CB 4.4Å; I216-F231 HydrophobicContact CG2-CD2 3.94Å; I216-F231 HydrophobicContact CG2-CE2 3.78Å; I216-I232 CarbonylContact C-O 3.59Å; I216-I232 VanDerWaalsContact CA-O 3.32Å; I216-I232 WeakPolarHBondContact CA-O 3.39Å; I216-F233 HydrophobicContact CG1-CB 4.25Å; I216-L269 HydrophobicContact CG2-CD2 4.15Å; I216-L271 HydrophobicContact CD1-CD2 4.35Å; I216-M445 HydrophobicContact CD1-CE 3.98Å; I216-M445 HydrophobicContact CD1-SD 4.08Å; I216-M445 HydrophobicContact CG1-CE 4.38Å; I216-M445 HydrophobicContact CG1-SD 3.87Å
217	M	96.7	Very high	92.1	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.9	160.8	-174.5	-176.7	-30.8	0	0	108.3	Y193 I194 K195 Y214 F231 I232	Y193-M217 HydrophobicContact CD2-CG 3.76Å; Y193-M217 HydrophobicContact CD2-SD 3.54Å; Y193-M217 VanDerWaalsContact CD2-SD 3.54Å; Y193-M217 HydrophobicContact CE2-CG 4.44Å; Y193-M217 HydrophobicContact CE2-SD 3.65Å; Y193-M217 HydrophobicContact CG-CG 4.15Å; Y193-M217 HydrophobicContact CG-SD 4.05Å; I194-M217 VanDerWaalsContact O-CA 3.29Å; I194-M217 WeakPolarHBondContact O-CA 3.1Å; K195-M217 HydrophobicContact CD-CE 4.21Å; K195-M217 HydrophobicContact CG-CB 4.35Å; K195-M217 HydrophobicContact CG-CE 4.38Å; K195-M217 HydrophobicContact CG-CG 3.96Å; K195-M217 HydrophobicContact CG-SD 4.46Å; Y214-M217 HydrophobicContact CD2-CB 4.11Å; Y214-M217 HydrophobicContact CE1-CE 4.07Å; Y214-M217 HydrophobicContact CE2-CB 3.68Å; Y214-M217 HydrophobicContact CE2-CE 3.86Å; Y214-M217 WeakPolarHBondContact OH-CE 3.39Å; M217-F231 WeakPolarHBondContact O-CA 3.34Å; M217-I232 HydrophobicContact CB-CB 4.29Å; M217-I232 HydrophobicContact CE-CD1 4.23Å; M217-I232 PolarHBondContact N-O 3.15Å; M217-I232 PolarHBondContact O-N 2.68Å; M217-I232 HydrophobicContact SD-CD1 4.14Å
218	F	97.4	Very high	92.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.4	-178.6	171.1	-112.7	0	0	0	110.6	Y179 Y193 I194 I216 L229 H230 F231 L269 M279	Y179-F218 HydrophobicContact CE1-CD1 4.02Å; Y179-F218 HydrophobicContact CE1-CE1 4.1Å; Y179-F218 PolarHBondContact OH-O 2.89Å; Y193-F218 CarbonylContact C-O 3.57Å; Y193-F218 WeakPolarHBondContact CA-O 3.37Å; Y193-F218 WeakPolarHBondContact CB-O 3.45Å; I194-F218 HydrophobicContact CD1-CD1 4.45Å; I194-F218 HydrophobicContact CG1-CB 4.45Å; I194-F218 VanDerWaalsContact CG1-O 3.24Å; I194-F218 WeakPolarHBondContact CG1-O 3.41Å; I194-F218 PolarHBondContact N-O 3.35Å; I194-F218 PolarHBondContact O-N 2.87Å; I216-F218 HydrophobicContact CG2-CB 4.4Å; F218-L229 HydrophobicContact CE2-CD1 4.07Å; F218-L229 HydrophobicContact CE2-CD2 4.5Å; F218-L229 HydrophobicContact CE2-CG 4.34Å; F218-L229 HydrophobicContact CZ-CD1 4.42Å; F218-H230 CarbonylContact C-O 3.53Å; F218-H230 VanDerWaalsContact CA-O 3.3Å; F218-H230 WeakPolarHBondContact CA-O 2.97Å; F218-H230 WeakPolarHBondContact CD2-O 3.26Å; F218-F231 HydrophobicContact CD2-CB 4.41Å; F218-L269 HydrophobicContact CB-CD2 4.11Å; F218-L269 HydrophobicContact CD1-CB 3.84Å; F218-L269 HydrophobicContact CD2-CB 3.91Å; F218-L269 HydrophobicContact CD2-CD1 4.44Å; F218-L269 HydrophobicContact CD2-CD2 4.2Å; F218-L269 HydrophobicContact CD2-CG 4.42Å; F218-L269 HydrophobicContact CE1-CB 3.79Å; F218-L269 HydrophobicContact CE2-CB 3.87Å; F218-L269 HydrophobicContact CG-CB 3.91Å; F218-L269 HydrophobicContact CG-CD2 4.05Å; F218-L269 HydrophobicContact CZ-CB 3.81Å; F218-M279 HydrophobicContact CD2-CE 4.49Å; F218-M279 HydrophobicContact CE2-CE 4.13Å; F218-M279 HydrophobicContact CE2-CG 4.21Å
219	G	95.9	Very high	92.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.9	176.8	168.1	0	0	0	0	0	115.8	Y179 H230	Y179-G219 WeakPolarHBondContact OH-CA 3.35Å; G219-H230 PolarHBondContact N-O 2.63Å; G219-H230 PolarHBondContact O-N 2.91Å
220	P	95.4	Very high	93	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	143.9	-176	27.4	-35	0	0	0	113.1	V181 F183 A192 Y193 K228 Y259 Y267	V181-P220 HydrophobicContact CG2-CG 4.22Å; F183-P220 HydrophobicContact CZ-CB 4.18Å; F183-P220 HydrophobicContact CZ-CG 4.16Å; A192-P220 CarbonylContact C-O 3.56Å; A192-P220 WeakPolarHBondContact CA-O 3.18Å; A192-P220 HydrophobicContact CB-CG 4.07Å; A192-P220 PolarHBondContact N-O 2.79Å; Y193-P220 PolarHBondContact N-O 3.48Å; P220-K228 CarbonylContact C-O 3.42Å; P220-Y259 WeakPolarHBondContact CA-OH 3.42Å; P220-Y259 HydrophobicContact CB-CE1 3.58Å; P220-Y259 WeakPolarHBondContact CB-OH 3.38Å; P220-Y267 HydrophobicContact CB-CE1 3.93Å; P220-Y267 HydrophobicContact CG-CD1 4.3Å; P220-Y267 HydrophobicContact CG-CD2 4.24Å; P220-Y267 HydrophobicContact CG-CE1 3.9Å; P220-Y267 HydrophobicContact CG-CE2 3.86Å; P220-Y267 HydrophobicContact CG-CG 4.45Å
221	D	94.3	Very high	93.5	Very high	34 Å²	34	36.8 Å²	36.8	18%	0.182	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	138.8	175.3	-173.7	39.7	0	0	0	108.8	G191 Y193 K228 H230	G191-D221 VanDerWaalsContact CA-OD1 3.26Å; G191-D221 WeakPolarHBondContact CA-OD1 3.4Å; G191-D221 PolarHBondContact N-OD1 3.43Å; Y193-D221 HydrophobicContact CD1-CB 4.04Å; Y193-D221 HydrophobicContact CE1-CB 4.21Å; D221-K228 HydrophobicContact CB-CB 4.46Å; D221-K228 PolarHBondContact N-O 2.86Å; D221-K228 PolarHBondContact O-N 2.82Å; D221-K228 VanDerWaalsContact O-O 3.07Å; D221-H230 WeakPolarHBondContact CB-CD2 3.15Å; D221-H230 VanDerWaalsContact CB-NE2 3.33Å; D221-H230 WeakPolarHBondContact CB-NE2 3.47Å; D221-H230 IonicContact OD2-CD2 3.54Å; D221-H230 IonicContact OD2-CE1 2.72Å; D221-H230 IonicContact OD2-NE2 3.17Å; D221-H230 PolarHBondContact OD2-NE2 3.27Å
222	K	92.9	Very high	93.9	Very high	17 Å²	17	30.7 Å²	30.7	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.2	177.5	-177.5	-166.1	168.3	-176.7	0	109.5	I187 C189 G190 G224 D226 Y227 Y259	I187-K222 HydrophobicContact CG2-CD 4.09Å; I187-K222 VanDerWaalsContact O-CD 3.29Å; I187-K222 WeakPolarHBondContact O-CD 3.48Å; I187-K222 WeakPolarHBondContact O-CE 3.3Å; I187-K222 PolarHBondContact O-NZ 2.97Å; C189-K222 CarbonylContact C-O 3.52Å; C189-K222 VanDerWaalsContact CA-O 3.28Å; C189-K222 WeakPolarHBondContact CA-O 3.25Å; G190-K222 PolarHBondContact N-O 3.19Å; G190-K222 PolarHBondContact O-N 2.69Å; G190-K222 VanDerWaalsContact O-N 3.12Å; K222-G224 WeakPolarHBondContact CE-O 3.1Å; K222-D226 WeakPolarHBondContact CA-O 2.97Å; K222-Y227 HydrophobicContact CD-CD1 3.94Å; K222-Y227 HydrophobicContact CD-CE1 3.55Å; K222-Y227 VanDerWaalsContact CE-CE1 3.49Å; K222-Y227 WeakPolarHBondContact CE-OH 3.2Å; K222-Y227 HydrophobicContact CG-CD1 3.96Å; K222-Y227 HydrophobicContact CG-CE1 4.02Å; K222-Y227 PolarHBondContact NZ-OH 3.08Å; K222-Y259 HydrophobicContact CB-CD1 3.81Å; K222-Y259 HydrophobicContact CB-CE1 4.08Å; K222-Y259 HydrophobicContact CD-CD1 4.46Å
223	C	92.4	Very high	94.1	Very high	69 Å²	69	30.1 Å²	30.1	47%	0.466	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	117.3	158.4	-160.6	0	0	0	0	111.4	C189 E225 D226	C189-C223 HydrophobicContact CB-CB 3.94Å; C189-C223 WeakPolarHBondContact CB-SG 3.43Å; C189-C223 WeakPolarHBondContact SG-CB 3.32Å; C189-C223 CovalentContact SG-SG 2.05Å; C189-C223 PolarHBondContact SG-SG 2.64Å; C223-E225 PolarHBondContact O-N 3.21Å; C223-E225 VanDerWaalsContact O-N 3.15Å; C223-D226 PolarHBondContact N-O 3.43Å; C223-D226 VanDerWaalsContact N-O 3.15Å; C223-D226 PolarHBondContact O-N 2.88Å; C223-D226 VanDerWaalsContact O-N 3.15Å
224	G	89.7	Confident	94.2	Very high	44 Å²	44	29.9 Å²	29.9	45%	0.454	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-111.2	-175.8	0	0	0	0	0	111	D188 K222	D188-G224 PolarHBondContact O-N 2.99Å; K222-G224 WeakPolarHBondContact CE-O 3.1Å
225	E	90.2	Very high	94	Very high	167 Å²	167	30 Å²	30	78%	0.78	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-0.7	178.4	-56.7	-160.3	118.3	0	0	114	C223 Y227	C223-E225 PolarHBondContact O-N 3.21Å; C223-E225 VanDerWaalsContact O-N 3.15Å; E225-Y227 WeakPolarHBondContact O-CD2 3.29Å; E225-Y227 VanDerWaalsContact O-CE2 3.29Å; E225-Y227 WeakPolarHBondContact O-CE2 3.41Å; E225-Y227 PolarHBondContact O-N 2.75Å
226	D	91.1	Very high	93.8	Very high	54 Å²	54	35.3 Å²	35.3	29%	0.289	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	99.7	176.8	-164.8	4.5	0	0	0	109.8	K222 C223 K228 R250	K222-D226 WeakPolarHBondContact CA-O 2.97Å; C223-D226 PolarHBondContact N-O 3.43Å; C223-D226 VanDerWaalsContact N-O 3.15Å; C223-D226 PolarHBondContact O-N 2.88Å; C223-D226 VanDerWaalsContact O-N 3.15Å; D226-K228 VanDerWaalsContact OD1-CE 3.31Å; D226-K228 WeakPolarHBondContact OD1-CE 3.19Å; D226-K228 IonicContact OD1-NZ 3.48Å; D226-K228 WeakPolarHBondContact OD2-CE 3.04Å; D226-K228 IonicContact OD2-NZ 3.88Å; D226-K228 PolarHBondContact OD2-NZ 3.06Å; D226-R250 IonicContact OD1-CZ 2.88Å; D226-R250 IonicContact OD1-NE 2.92Å; D226-R250 IonicContact OD1-NH2 3.27Å; D226-R250 PolarHBondContact OD1-NH2 3.34Å; D226-R250 IonicContact OD2-NH2 2.68Å; D226-R250 PolarHBondContact OD2-NH2 2.87Å
227	Y	92.3	Very high	93.4	Very high	41 Å²	41	35.6 Å²	35.6	16%	0.161	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.8	176.3	-57.1	-96.3	0	0	0	109.4	K222 E225 K256 Y259 T260	K222-Y227 HydrophobicContact CD-CD1 3.94Å; K222-Y227 HydrophobicContact CD-CE1 3.55Å; K222-Y227 VanDerWaalsContact CE-CE1 3.49Å; K222-Y227 WeakPolarHBondContact CE-OH 3.2Å; K222-Y227 HydrophobicContact CG-CD1 3.96Å; K222-Y227 HydrophobicContact CG-CE1 4.02Å; K222-Y227 PolarHBondContact NZ-OH 3.08Å; E225-Y227 WeakPolarHBondContact O-CD2 3.29Å; E225-Y227 VanDerWaalsContact O-CE2 3.29Å; E225-Y227 WeakPolarHBondContact O-CE2 3.41Å; E225-Y227 PolarHBondContact O-N 2.75Å; Y227-K256 HydrophobicContact CE1-CB 4.45Å; Y227-K256 HydrophobicContact CE1-CG 4.22Å; Y227-K256 HydrophobicContact CE2-CB 4.34Å; Y227-K256 HydrophobicContact CE2-CD 4.41Å; Y227-K256 HydrophobicContact CE2-CG 4.1Å; Y227-Y259 HydrophobicContact CD1-CD1 4.26Å; Y227-Y259 HydrophobicContact CD1-CD2 4.02Å; Y227-Y259 AromaticContact CD1-CG 3.81Å; Y227-Y259 HydrophobicContact CD1-CG 3.81Å; Y227-Y259 HydrophobicContact CE1-CG 4.37Å; Y227-T260 HydrophobicContact CE1-CG2 4.5Å
228	K	92.2	Very high	92.9	Very high	64 Å²	64	38.3 Å²	38.3	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.5	-175.5	-75.3	171.2	174.5	150.1	0	111.8	P220 D221 D226 Y259	P220-K228 CarbonylContact C-O 3.42Å; D221-K228 HydrophobicContact CB-CB 4.46Å; D221-K228 PolarHBondContact N-O 2.86Å; D221-K228 PolarHBondContact O-N 2.82Å; D221-K228 VanDerWaalsContact O-O 3.07Å; D226-K228 VanDerWaalsContact OD1-CE 3.31Å; D226-K228 WeakPolarHBondContact OD1-CE 3.19Å; D226-K228 IonicContact OD1-NZ 3.48Å; D226-K228 WeakPolarHBondContact OD2-CE 3.04Å; D226-K228 IonicContact OD2-NZ 3.88Å; D226-K228 PolarHBondContact OD2-NZ 3.06Å; K228-Y259 PolarHBondContact O-OH 3.36Å
229	L	94.9	Very high	92.3	Very high	20 Å²	20	42.6 Å²	42.6	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	100.1	158.6	-177.8	60.4	0	0	0	108	F218 L255 Y267 M279 I281 V286	F218-L229 HydrophobicContact CE2-CD1 4.07Å; F218-L229 HydrophobicContact CE2-CD2 4.5Å; F218-L229 HydrophobicContact CE2-CG 4.34Å; F218-L229 HydrophobicContact CZ-CD1 4.42Å; L229-L255 HydrophobicContact CB-CD1 3.96Å; L229-Y267 HydrophobicContact CD1-CD1 3.62Å; L229-Y267 HydrophobicContact CD1-CE1 3.96Å; L229-M279 HydrophobicContact CB-CE 4.35Å; L229-M279 HydrophobicContact CD2-CB 4.32Å; L229-M279 HydrophobicContact CD2-CE 3.69Å; L229-M279 HydrophobicContact CG-CE 3.59Å; L229-I281 HydrophobicContact CD2-CD1 4.17Å; L229-I281 HydrophobicContact CD2-CG1 4.14Å; L229-V286 HydrophobicContact CD2-CG2 3.8Å
230	H	95.3	Very high	91.7	Very high	33 Å²	33	45.7 Å²	45.7	15%	0.153	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	135.6	177.9	-72.9	-58.8	0	0	0	110.5	Y193 F218 G219 D221 I232	Y193-H230 AromaticContact CD1-CD2 3.95Å; F218-H230 CarbonylContact C-O 3.53Å; F218-H230 VanDerWaalsContact CA-O 3.3Å; F218-H230 WeakPolarHBondContact CA-O 2.97Å; F218-H230 WeakPolarHBondContact CD2-O 3.26Å; G219-H230 PolarHBondContact N-O 2.63Å; G219-H230 PolarHBondContact O-N 2.91Å; D221-H230 WeakPolarHBondContact CB-CD2 3.15Å; D221-H230 VanDerWaalsContact CB-NE2 3.33Å; D221-H230 WeakPolarHBondContact CB-NE2 3.47Å; D221-H230 IonicContact OD2-CD2 3.54Å; D221-H230 IonicContact OD2-CE1 2.72Å; D221-H230 IonicContact OD2-NE2 3.17Å; D221-H230 PolarHBondContact OD2-NE2 3.27Å; H230-I232 HydrophobicContact CB-CD1 4.38Å; H230-I232 HydrophobicContact CB-CG1 4.33Å
231	F	96.3	Very high	91.2	Very high	3 Å²	3	52.5 Å²	52.5	1%	0.013	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	113.6	151.5	170.1	-139.5	0	0	0	106.6	I216 M217 F218 A248 L269 L271 Y277 M279 L291 M295	I216-F231 HydrophobicContact CG2-CD2 3.94Å; I216-F231 HydrophobicContact CG2-CE2 3.78Å; M217-F231 WeakPolarHBondContact O-CA 3.34Å; F218-F231 HydrophobicContact CD2-CB 4.41Å; F231-A248 HydrophobicContact CB-CB 4Å; F231-A248 HydrophobicContact CD1-CB 3.93Å; F231-A248 HydrophobicContact CG-CB 4.37Å; F231-A248 WeakPolarHBondContact O-CB 3.43Å; F231-A248 PolarHBondContact O-N 3.07Å; F231-L269 HydrophobicContact CD1-CD1 4.24Å; F231-L269 HydrophobicContact CD2-CD1 4.13Å; F231-L269 HydrophobicContact CD2-CD2 3.77Å; F231-L269 HydrophobicContact CE1-CD1 4.34Å; F231-L269 HydrophobicContact CE2-CD1 4.23Å; F231-L269 HydrophobicContact CE2-CD2 3.72Å; F231-L269 HydrophobicContact CG-CD1 4.16Å; F231-L269 HydrophobicContact CZ-CD1 4.35Å; F231-L269 HydrophobicContact CZ-CD2 4.47Å; F231-L271 HydrophobicContact CZ-CD1 4.23Å; F231-Y277 AromaticContact CD1-CD2 3.77Å; F231-Y277 HydrophobicContact CD1-CD2 3.77Å; F231-Y277 HydrophobicContact CD1-CE2 4.04Å; F231-Y277 HydrophobicContact CD1-CG 4.04Å; F231-Y277 AromaticContact CE1-CD1 3.93Å; F231-Y277 HydrophobicContact CE1-CD1 3.93Å; F231-Y277 AromaticContact CE1-CD2 3.82Å; F231-Y277 HydrophobicContact CE1-CD2 3.82Å; F231-Y277 HydrophobicContact CE1-CE1 4.45Å; F231-Y277 HydrophobicContact CE1-CE2 4.38Å; F231-Y277 AromaticContact CE1-CG 3.58Å; F231-Y277 HydrophobicContact CE1-CG 3.58Å; F231-M279 HydrophobicContact CB-CE 3.61Å; F231-M279 HydrophobicContact CB-SD 3.62Å; F231-M279 HydrophobicContact CD1-SD 3.98Å; F231-M279 HydrophobicContact CG-SD 4.16Å; F231-L291 HydrophobicContact CE1-CD2 3.96Å; F231-L291 HydrophobicContact CZ-CD2 3.95Å; F231-M295 HydrophobicContact CD1-CE 3.9Å; F231-M295 HydrophobicContact CE1-CE 3.64Å; F231-M295 HydrophobicContact CZ-CE 4.47Å
232	I	95.8	Very high	90.9	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.3	-177.3	-47.6	170.8	0	0	0	106.8	I216 M217 H230 E245 K246 H247	I216-I232 CarbonylContact C-O 3.59Å; I216-I232 VanDerWaalsContact CA-O 3.32Å; I216-I232 WeakPolarHBondContact CA-O 3.39Å; M217-I232 HydrophobicContact CB-CB 4.29Å; M217-I232 HydrophobicContact CE-CD1 4.23Å; M217-I232 PolarHBondContact N-O 3.15Å; M217-I232 PolarHBondContact O-N 2.68Å; M217-I232 HydrophobicContact SD-CD1 4.14Å; H230-I232 HydrophobicContact CB-CD1 4.38Å; H230-I232 HydrophobicContact CB-CG1 4.33Å; I232-E245 HydrophobicContact CG2-CB 4.14Å; I232-E245 HydrophobicContact CG2-CG 4.4Å; I232-K246 WeakPolarHBondContact CA-O 3.44Å; I232-H247 WeakPolarHBondContact CD1-ND1 3.4Å; I232-H247 HydrophobicContact CG1-CB 4.49Å; I232-H247 WeakPolarHBondContact CG1-ND1 3.44Å
233	F	94.9	Very high	90.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.9	169.6	78.2	-76.2	0	0	0	111.4	T215 I216 H235 K246 L291 M295 V299 P442 M445	T215-F233 VanDerWaalsContact O-CA 3.3Å; T215-F233 WeakPolarHBondContact O-CA 3.31Å; I216-F233 HydrophobicContact CG1-CB 4.25Å; F233-H235 HydrophobicContact CD2-CB 4.49Å; F233-H235 HydrophobicContact CE2-CB 3.92Å; F233-K246 HydrophobicContact CD1-CB 4.06Å; F233-K246 HydrophobicContact CE1-CB 3.73Å; F233-K246 HydrophobicContact CE1-CG 4.45Å; F233-K246 HydrophobicContact CZ-CB 4.16Å; F233-K246 HydrophobicContact CZ-CG 4.38Å; F233-K246 PolarHBondContact N-O 2.94Å; F233-K246 PolarHBondContact O-N 3.23Å; F233-L291 HydrophobicContact CD1-CD2 4.19Å; F233-L291 HydrophobicContact CE1-CB 4.36Å; F233-L291 HydrophobicContact CE1-CD2 3.81Å; F233-L291 HydrophobicContact CE1-CG 4.49Å; F233-L291 HydrophobicContact CZ-CB 4.18Å; F233-L291 HydrophobicContact CZ-CD1 4.3Å; F233-L291 HydrophobicContact CZ-CD2 4.25Å; F233-L291 HydrophobicContact CZ-CG 4.49Å; F233-M295 HydrophobicContact CD1-CE 4.34Å; F233-M295 HydrophobicContact CD1-SD 4.06Å; F233-M295 HydrophobicContact CE1-CE 4.09Å; F233-M295 HydrophobicContact CE1-CG 3.89Å; F233-M295 HydrophobicContact CE1-SD 3.66Å; F233-V299 HydrophobicContact CE1-CG2 4.43Å; F233-V299 HydrophobicContact CZ-CG2 3.67Å; F233-P442 HydrophobicContact CE2-CB 4.21Å; F233-P442 HydrophobicContact CZ-CB 4.21Å; F233-M445 HydrophobicContact CB-SD 4.07Å; F233-M445 HydrophobicContact CD2-CE 4.46Å; F233-M445 HydrophobicContact CD2-SD 4.02Å; F233-M445 HydrophobicContact CG-SD 4.43Å
234	R	93.2	Very high	90.7	Very high	50 Å²	50	57.3 Å²	57.3	19%	0.189	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	98.4	-179.2	-62.2	-158.7	64.4	-179.9	-0	110.1	Y214 T215 M243 E244 E245	Y214-R234 HydrophobicContact CD2-CG 4.35Å; Y214-R234 HydrophobicContact CE2-CG 3.94Å; Y214-R234 WeakPolarHBondContact O-CD 3.27Å; Y214-R234 WeakPolarHBondContact O-CG 3.39Å; T215-R234 PolarHBondContact O-N 2.93Å; R234-M243 HydrophobicContact CB-CE 3.81Å; R234-M243 PolarHBondContact NH2-O 3.36Å; R234-M243 WeakPolarHBondContact O-CE 3.24Å; R234-E244 CarbonylContact C-O 3.55Å; R234-E244 WeakPolarHBondContact CA-O 3.24Å; R234-E245 HydrophobicContact CG-CG 3.75Å; R234-E245 IonicContact CZ-OE1 3.54Å; R234-E245 IonicContact NE-OE1 3.84Å; R234-E245 IonicContact NH1-OE1 2.65Å
235	H	92	Very high	90.8	Very high	11 Å²	11	58.9 Å²	58.9	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.2	175.3	-178.9	71.2	0	0	0	110.4	F233 M243 E244 K246 F437 D439	F233-H235 HydrophobicContact CD2-CB 4.49Å; F233-H235 HydrophobicContact CE2-CB 3.92Å; H235-M243 CarbonylContact O-C 3.56Å; H235-E244 PolarHBondContact N-O 3.41Å; H235-E244 PolarHBondContact O-N 3.41Å; H235-K246 HydrophobicContact CB-CG 3.78Å; H235-F437 AromaticContact NE2-CE2 3.66Å; H235-F437 AromaticContact NE2-CZ 3.9Å; H235-D439 IonicContact CE1-OD2 3.55Å; H235-D439 PolarHBondContact CE1-OD2 2.82Å
236	K	89.9	Confident	91	Very high	110 Å²	110	51.1 Å²	51.1	48%	0.478	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	104	175.9	-173	167.8	-170.4	153.9	0	110.2	K241 M243	K236-K241 VanDerWaalsContact CE-O 3.29Å; K236-K241 WeakPolarHBondContact CE-O 3.15Å; K236-M243 HydrophobicContact CB-CE 4.21Å; K236-M243 HydrophobicContact CB-SD 3.6Å; K236-M243 VanDerWaalsContact CB-SD 3.6Å; K236-M243 HydrophobicContact CD-SD 3.8Å; K236-M243 HydrophobicContact CG-SD 3.66Å
237	N	88	Confident	91.2	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.032	25%	0.25	C	S	.	.			trans	-57.9	125.4	179.4	172	-29.6	0	0	0	110	L239 N240 K241 D242 E244 F437	N237-L239 VanDerWaalsContact C-N 3.3Å; N237-L239 PolarHBondContact O-N 2.86Å; N237-L239 PolarHBondContact OD1-N 3.1Å; N237-N240 WeakPolarHBondContact CB-OD1 3.41Å; N237-N240 PolarHBondContact ND2-ND2 3.46Å; N237-N240 PolarHBondContact ND2-OD1 2.91Å; N237-N240 PolarHBondContact OD1-N 3.44Å; N237-N240 PolarHBondContact OD1-OD1 3.46Å; N237-K241 WeakPolarHBondContact O-CA 3.41Å; N237-K241 PolarHBondContact O-N 3.04Å; N237-D242 PolarHBondContact N-O 3.33Å; N237-E244 WeakPolarHBondContact CB-OE1 3.42Å; N237-E244 PolarHBondContact ND2-OE1 3.27Å; N237-F437 HydrophobicContact CB-CE1 4.19Å; N237-F437 HydrophobicContact CB-CZ 4.34Å; N237-F437 VanDerWaalsContact CG-CE1 3.5Å; N237-F437 WeakPolarHBondContact ND2-CE1 3.4Å
238	P	87.2	Confident	91.2	Very high	73 Å²	73	51 Å²	51	47%	0.474	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.7	-170.2	29.2	-35.8	0	0	0	114.1	F437	P238-F437 VanDerWaalsContact CD-CD2 3.45Å; P238-F437 VanDerWaalsContact CD-CE2 3.5Å; P238-F437 HydrophobicContact CG-CB 3.8Å; P238-F437 HydrophobicContact CG-CD1 4.28Å; P238-F437 HydrophobicContact CG-CD2 3.47Å; P238-F437 VanDerWaalsContact CG-CD2 3.47Å; P238-F437 HydrophobicContact CG-CE2 4.05Å; P238-F437 HydrophobicContact CG-CG 3.59Å
239	L	85.2	Confident	91.2	Very high	92 Å²	92	52.7 Å²	52.7	48%	0.482	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-64	-178.9	-61.8	177.5	0	0	0	111.3	N237 F437	N237-L239 VanDerWaalsContact C-N 3.3Å; N237-L239 PolarHBondContact O-N 2.86Å; N237-L239 PolarHBondContact OD1-N 3.1Å; L239-F437 HydrophobicContact CD1-CB 4.07Å; L239-F437 HydrophobicContact CD1-CD1 4.26Å; L239-F437 HydrophobicContact CG-CB 4.09Å; L239-F437 HydrophobicContact CG-CD1 4.47Å
240	N	83.5	Confident	90.9	Very high	64 Å²	64	59.7 Å²	59.7	34%	0.342	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-25.7	-176.6	61.1	19.2	0	0	0	113	N237 D242	N237-N240 WeakPolarHBondContact CB-OD1 3.41Å; N237-N240 PolarHBondContact ND2-ND2 3.46Å; N237-N240 PolarHBondContact ND2-OD1 2.91Å; N237-N240 PolarHBondContact OD1-N 3.44Å; N237-N240 PolarHBondContact OD1-OD1 3.46Å; N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 WeakPolarHBondContact CB-OD2 3.27Å; N240-D242 PolarHBondContact ND2-OD2 3.1Å; N240-D242 WeakPolarHBondContact OD1-CB 3.19Å; N240-D242 PolarHBondContact OD1-N 3.32Å
241	K	84.9	Confident	90.6	Very high	143 Å²	143	59.4 Å²	59.4	62%	0.622	29%	0.285	S	S	*	.			trans	73.4	15.4	-173.4	-54.8	168.1	-173.6	164.1	0	115.1	K236 N237	K236-K241 VanDerWaalsContact CE-O 3.29Å; K236-K241 WeakPolarHBondContact CE-O 3.15Å; N237-K241 WeakPolarHBondContact O-CA 3.41Å; N237-K241 PolarHBondContact O-N 3.04Å
242	D	88.1	Confident	90	Very high	98 Å²	98	67.1 Å²	67.1	52%	0.524	33%	0.327	S	S	.	.			trans	-74.7	158.6	173.5	-63.2	-48.4	0	0	0	111.3	N237 N240	N237-D242 PolarHBondContact N-O 3.33Å; N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 WeakPolarHBondContact CB-OD2 3.27Å; N240-D242 PolarHBondContact ND2-OD2 3.1Å; N240-D242 WeakPolarHBondContact OD1-CB 3.19Å; N240-D242 PolarHBondContact OD1-N 3.32Å
243	M	88.8	Confident	89.6	Confident	59 Å²	59	70 Å²	70	29%	0.291	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	88.5	-172.3	-65.8	-63.3	-48.6	0	0	110.4	R234 H235 K236	R234-M243 HydrophobicContact CB-CE 3.81Å; R234-M243 PolarHBondContact NH2-O 3.36Å; R234-M243 WeakPolarHBondContact O-CE 3.24Å; H235-M243 CarbonylContact O-C 3.56Å; K236-M243 HydrophobicContact CB-CE 4.21Å; K236-M243 HydrophobicContact CB-SD 3.6Å; K236-M243 VanDerWaalsContact CB-SD 3.6Å; K236-M243 HydrophobicContact CD-SD 3.8Å; K236-M243 HydrophobicContact CG-SD 3.66Å
244	E	90.4	Very high	89.3	Confident	64 Å²	64	74.2 Å²	74.2	30%	0.299	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.3	-179.6	-66.6	170.9	-143.8	0	0	111.4	R234 H235 N237 K246	R234-E244 CarbonylContact C-O 3.55Å; R234-E244 WeakPolarHBondContact CA-O 3.24Å; H235-E244 PolarHBondContact N-O 3.41Å; H235-E244 PolarHBondContact O-N 3.41Å; N237-E244 WeakPolarHBondContact CB-OE1 3.42Å; N237-E244 PolarHBondContact ND2-OE1 3.27Å; E244-K246 WeakPolarHBondContact OE2-CE 3.38Å; E244-K246 IonicContact OE2-NZ 3.03Å; E244-K246 PolarHBondContact OE2-NZ 3Å
245	E	93.5	Very high	89.1	Confident	77 Å²	77	72.4 Å²	72.4	36%	0.36	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132.7	171.7	-78.3	166.9	-177.5	0	0	110.1	Y214 I232 R234	Y214-E245 WeakPolarHBondContact CE1-OE1 3.45Å; Y214-E245 WeakPolarHBondContact OH-CG 3.37Å; Y214-E245 PolarHBondContact OH-OE1 3.48Å; I232-E245 HydrophobicContact CG2-CB 4.14Å; I232-E245 HydrophobicContact CG2-CG 4.4Å; R234-E245 HydrophobicContact CG-CG 3.75Å; R234-E245 IonicContact CZ-OE1 3.54Å; R234-E245 IonicContact NE-OE1 3.84Å; R234-E245 IonicContact NH1-OE1 2.65Å
246	K	93.6	Very high	89	Confident	4 Å²	4	76.7 Å²	76.7	2%	0.017	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.1	-178.2	-56.5	-68	172	-179.6	0	107.7	I232 F233 H235 E244 M295 P297 P298 V299	I232-K246 WeakPolarHBondContact CA-O 3.44Å; F233-K246 HydrophobicContact CD1-CB 4.06Å; F233-K246 HydrophobicContact CE1-CB 3.73Å; F233-K246 HydrophobicContact CE1-CG 4.45Å; F233-K246 HydrophobicContact CZ-CB 4.16Å; F233-K246 HydrophobicContact CZ-CG 4.38Å; F233-K246 PolarHBondContact N-O 2.94Å; F233-K246 PolarHBondContact O-N 3.23Å; H235-K246 HydrophobicContact CB-CG 3.78Å; E244-K246 WeakPolarHBondContact OE2-CE 3.38Å; E244-K246 IonicContact OE2-NZ 3.03Å; E244-K246 PolarHBondContact OE2-NZ 3Å; K246-M295 HydrophobicContact CB-CB 4.43Å; K246-M295 HydrophobicContact CB-SD 4.37Å; K246-P297 WeakPolarHBondContact CD-O 3.21Å; K246-P298 PolarHBondContact NZ-O 3.19Å; K246-V299 HydrophobicContact CG-CG2 4.4Å
247	H	94.6	Very high	89	Confident	75 Å²	75	78 Å²	78	35%	0.347	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.8	-177.3	-55.2	-108.9	0	0	0	109.7	I232 M295 V296	I232-H247 WeakPolarHBondContact CD1-ND1 3.4Å; I232-H247 HydrophobicContact CG1-CB 4.49Å; I232-H247 WeakPolarHBondContact CG1-ND1 3.44Å; H247-M295 CarbonylContact O-C 3.56Å; H247-M295 WeakPolarHBondContact O-CA 3.34Å; H247-V296 WeakPolarHBondContact CB-O 3.33Å; H247-V296 PolarHBondContact CD2-O 2.88Å; H247-V296 PolarHBondContact N-O 2.9Å; H247-V296 PolarHBondContact O-N 2.8Å
248	A	94.1	Very high	89	Confident	18 Å²	18	79.6 Å²	79.6	15%	0.149	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	150.5	167.9	0	0	0	0	0	110.8	F231 Y277 M295	F231-A248 HydrophobicContact CB-CB 4Å; F231-A248 HydrophobicContact CD1-CB 3.93Å; F231-A248 HydrophobicContact CG-CB 4.37Å; F231-A248 WeakPolarHBondContact O-CB 3.43Å; F231-A248 PolarHBondContact O-N 3.07Å; A248-Y277 HydrophobicContact CB-CE2 4.37Å; A248-M295 HydrophobicContact CB-CE 3.87Å; A248-M295 HydrophobicContact CB-SD 4.33Å; A248-M295 PolarHBondContact N-SD 2.89Å; A248-M295 VanDerWaalsContact N-SD 3.45Å
249	K	92	Very high	89.1	Confident	99 Å²	99	76.2 Å²	76.2	43%	0.43	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-54.5	148.7	163.9	-70.5	168.4	-173.8	162.7	0	109.9	Y293 D294 V296	K249-Y293 PolarHBondContact NZ-O 3.03Å; K249-D294 HydrophobicContact CD-CB 4.12Å; K249-D294 PolarHBondContact N-O 3.22Å; K249-D294 IonicContact NZ-OD1 2.64Å; K249-D294 PolarHBondContact NZ-OD1 2.92Å; K249-V296 HydrophobicContact CG-CG2 4.17Å
250	R	88.8	Confident	89.2	Confident	168 Å²	168	75.3 Å²	75.3	63%	0.634	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-55	147.6	170.3	-78.5	-175.1	169.1	119.8	-10.6	109.6	D226	D226-R250 IonicContact OD1-CZ 2.88Å; D226-R250 IonicContact OD1-NE 2.92Å; D226-R250 IonicContact OD1-NH2 3.27Å; D226-R250 PolarHBondContact OD1-NH2 3.34Å; D226-R250 IonicContact OD2-NH2 2.68Å; D226-R250 PolarHBondContact OD2-NH2 2.87Å
251	A	87.1	Confident	89.4	Confident	26 Å²	26	75.3 Å²	75.3	22%	0.215	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-67.7	146.3	171.2	0	0	0	0	0	110.9	V253 V286	A251-V253 PolarHBondContact O-N 2.63Å; A251-V286 WeakPolarHBondContact CB-O 3.16Å
252	D	83.7	Confident	89.7	Confident	166 Å²	166	72.9 Å²	72.9	89%	0.888	36%	0.357	S	S	*	.	S	Bend	trans	-79.4	-2.1	177.7	-55.2	-59.5	0	0	0	113.2
253	V	88.2	Confident	89.7	Confident	66 Å²	66	71.5 Å²	71.5	40%	0.4	35%	0.346	S	S	.	.	S	Bend	trans	-97.4	137.1	-176.7	-177.6	0	0	0	0	110.8	A251 L255 V286	A251-V253 PolarHBondContact O-N 2.63Å; V253-L255 PolarHBondContact O-N 3.1Å; V253-V286 HydrophobicContact CG2-CB 4.38Å
254	D	88.1	Confident	89.9	Confident	90 Å²	90	69.7 Å²	69.7	48%	0.481	34%	0.339	S	S	.	.			trans	-59.3	108.5	170.5	170.7	32.1	0	0	0	111.3	K256	D254-K256 WeakPolarHBondContact OD1-CB 3.46Å; D254-K256 PolarHBondContact OD1-N 2.72Å
255	L	89.2	Confident	90.1	Very high	12 Å²	12	66.9 Å²	66.9	6%	0.063	33%	0.326	C	S	.	.			trans	-81.5	-14.6	179.5	-65.8	-177.3	0	0	0	113.5	L229 V253 K257 F258 Y259 I281	L229-L255 HydrophobicContact CB-CD1 3.96Å; V253-L255 PolarHBondContact O-N 3.1Å; L255-K257 PolarHBondContact O-N 3.49Å; L255-F258 HydrophobicContact CD2-CD2 4.3Å; L255-F258 HydrophobicContact CD2-CE2 4.45Å; L255-F258 WeakPolarHBondContact O-CD2 3.49Å; L255-F258 PolarHBondContact O-N 3.06Å; L255-Y259 HydrophobicContact CB-CE2 4Å; L255-Y259 VanDerWaalsContact O-CD2 3.23Å; L255-Y259 WeakPolarHBondContact O-CD2 3.4Å; L255-I281 HydrophobicContact CD2-CD1 3.73Å
256	K	90.7	Very high	90.3	Very high	101 Å²	101	63.2 Å²	63.2	44%	0.439	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-52.3	-36.7	-166.5	-176.8	168.5	-178.5	169.2	0	113.6	Y227 D254 Y259 T260	Y227-K256 HydrophobicContact CE1-CB 4.45Å; Y227-K256 HydrophobicContact CE1-CG 4.22Å; Y227-K256 HydrophobicContact CE2-CB 4.34Å; Y227-K256 HydrophobicContact CE2-CD 4.41Å; Y227-K256 HydrophobicContact CE2-CG 4.1Å; D254-K256 WeakPolarHBondContact OD1-CB 3.46Å; D254-K256 PolarHBondContact OD1-N 2.72Å; K256-Y259 PolarHBondContact O-N 2.89Å; K256-T260 WeakPolarHBondContact O-CG2 3.15Å; K256-T260 PolarHBondContact O-OG1 2.85Å
257	K	88.8	Confident	90.4	Very high	136 Å²	136	63 Å²	63	59%	0.591	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-60.9	-48.6	-176.6	-61.8	170.7	-170.1	169	0	112.2	L255 Y259 T260 D261	L255-K257 PolarHBondContact O-N 3.49Å; K257-Y259 PolarHBondContact O-N 2.85Å; K257-T260 PolarHBondContact O-N 3.36Å; K257-T260 VanDerWaalsContact O-N 3.08Å; K257-T260 PolarHBondContact O-OG1 2.86Å; K257-D261 PolarHBondContact O-N 2.99Å
258	F	89.2	Confident	90.6	Very high	41 Å²	41	59.7 Å²	59.7	18%	0.18	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-67.8	-0.4	-175.9	-47.2	-74.4	0	0	0	115.3	L255 H265 I281	L255-F258 HydrophobicContact CD2-CD2 4.3Å; L255-F258 HydrophobicContact CD2-CE2 4.45Å; L255-F258 WeakPolarHBondContact O-CD2 3.49Å; L255-F258 PolarHBondContact O-N 3.06Å; F258-H265 WeakPolarHBondContact CA-NE2 3.37Å; F258-H265 AromaticContact CD1-CE1 3.76Å; F258-H265 AromaticContact CD1-ND1 3.72Å; F258-H265 PolarHBondContact O-CD2 2.83Å; F258-I281 HydrophobicContact CD1-CG2 3.64Å; F258-I281 HydrophobicContact CD2-CD1 3.89Å; F258-I281 HydrophobicContact CD2-CG2 4.46Å; F258-I281 HydrophobicContact CE1-CG2 3.77Å; F258-I281 HydrophobicContact CE2-CD1 4.13Å; F258-I281 HydrophobicContact CG-CD1 4.28Å; F258-I281 HydrophobicContact CG-CG2 4Å; F258-I281 HydrophobicContact CZ-CG2 4.26Å
259	Y	89.4	Confident	90.7	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.008	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-121.8	-1.1	-179.3	-64.3	-113.4	0	0	0	112	F183 I187 P220 K222 Y227 K228 L255 K256 K257	F183-Y259 AromaticContact CE2-CD1 3.85Å; F183-Y259 HydrophobicContact CE2-CD1 3.85Å; F183-Y259 HydrophobicContact CE2-CE1 4.39Å; F183-Y259 HydrophobicContact CE2-CG 4.21Å; F183-Y259 HydrophobicContact CZ-CD1 4.14Å; F183-Y259 HydrophobicContact CZ-CE1 4.42Å; I187-Y259 HydrophobicContact CG2-CD1 4.3Å; P220-Y259 WeakPolarHBondContact CA-OH 3.42Å; P220-Y259 HydrophobicContact CB-CE1 3.58Å; P220-Y259 WeakPolarHBondContact CB-OH 3.38Å; K222-Y259 HydrophobicContact CB-CD1 3.81Å; K222-Y259 HydrophobicContact CB-CE1 4.08Å; K222-Y259 HydrophobicContact CD-CD1 4.46Å; Y227-Y259 HydrophobicContact CD1-CD1 4.26Å; Y227-Y259 HydrophobicContact CD1-CD2 4.02Å; Y227-Y259 AromaticContact CD1-CG 3.81Å; Y227-Y259 HydrophobicContact CD1-CG 3.81Å; Y227-Y259 HydrophobicContact CE1-CG 4.37Å; K228-Y259 PolarHBondContact O-OH 3.36Å; L255-Y259 HydrophobicContact CB-CE2 4Å; L255-Y259 VanDerWaalsContact O-CD2 3.23Å; L255-Y259 WeakPolarHBondContact O-CD2 3.4Å; K256-Y259 PolarHBondContact O-N 2.89Å; K257-Y259 PolarHBondContact O-N 2.85Å
260	T	87.6	Confident	91	Very high	72 Å²	72	54.6 Å²	54.6	44%	0.442	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-19.5	-170.3	52.1	0	0	0	0	114.6	Y227 K256 K257 K262	Y227-T260 HydrophobicContact CE1-CG2 4.5Å; K256-T260 WeakPolarHBondContact O-CG2 3.15Å; K256-T260 PolarHBondContact O-OG1 2.85Å; K257-T260 PolarHBondContact O-N 3.36Å; K257-T260 VanDerWaalsContact O-N 3.08Å; K257-T260 PolarHBondContact O-OG1 2.86Å; T260-K262 VanDerWaalsContact C-N 3.34Å
261	D	87.5	Confident	91.3	Very high	64 Å²	64	46.6 Å²	46.6	34%	0.342	24%	0.238	S	C	.	.	S	Bend	trans	-82.2	-8.1	178.9	78.2	-9.6	0	0	0	114.7	K257 K263 H265	K257-D261 PolarHBondContact O-N 2.99Å; D261-K263 HydrophobicContact CB-CG 4.39Å; D261-K263 PolarHBondContact O-N 2.89Å; D261-K263 WeakPolarHBondContact OD1-CB 3.5Å; D261-K263 PolarHBondContact OD1-N 3.02Å; D261-K263 WeakPolarHBondContact OD2-CD 3.32Å; D261-K263 WeakPolarHBondContact OD2-CG 3.48Å; D261-H265 IonicContact OD1-CE1 2.82Å; D261-H265 IonicContact OD1-NE2 3Å; D261-H265 PolarHBondContact OD1-NE2 2.97Å; D261-H265 IonicContact OD2-CE1 3.96Å; D261-H265 IonicContact OD2-NE2 4Å
262	K	89.4	Confident	91.7	Very high	93 Å²	93	47.3 Å²	47.3	40%	0.404	24%	0.238	S	C	.	.			trans	63	19.7	-178.6	-53.8	178.3	170.9	-163.9	0	115.1	N182 Q184 D185 T260	N182-K262 PolarHBondContact ND2-O 2.86Å; N182-K262 PolarHBondContact OD1-O 3.03Å; Q184-K262 WeakPolarHBondContact O-CD 3.31Å; D185-K262 WeakPolarHBondContact O-CE 3.41Å; D185-K262 PolarHBondContact O-NZ 3.49Å; T260-K262 VanDerWaalsContact C-N 3.34Å
263	K	90.1	Very high	92.2	Very high	68 Å²	68	41.3 Å²	41.3	30%	0.296	21%	0.208	S	C	.	.			trans	-88.1	170	178.6	-60	-173.3	-168	-178.6	0	111.6	N182 D261 E495	N182-K263 PolarHBondContact ND2-O 2.87Å; D261-K263 HydrophobicContact CB-CG 4.39Å; D261-K263 PolarHBondContact O-N 2.89Å; D261-K263 WeakPolarHBondContact OD1-CB 3.5Å; D261-K263 PolarHBondContact OD1-N 3.02Å; D261-K263 WeakPolarHBondContact OD2-CD 3.32Å; D261-K263 WeakPolarHBondContact OD2-CG 3.48Å; K263-E495 IonicContact NZ-OE1 3.5Å; K263-E495 PolarHBondContact NZ-OE1 2.82Å; K263-E495 IonicContact NZ-OE2 2.67Å; K263-E495 PolarHBondContact NZ-OE2 3.25Å
264	T	92.4	Very high	92.4	Very high	21 Å²	21	42.9 Å²	42.9	13%	0.129	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.7	176.2	-51.9	0	0	0	0	108.5	E180 N182 W484	E180-T264 HydrophobicContact CB-CG2 3.9Å; E180-T264 HydrophobicContact CG-CG2 4.31Å; N182-T264 HydrophobicContact CB-CG2 4.32Å; N182-T264 PolarHBondContact ND2-N 3.41Å; N182-T264 PolarHBondContact ND2-OG1 3.31Å; T264-W484 PolarHBondContact O-NE1 2.8Å
265	H	95.1	Very high	92.6	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.028	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.2	179.2	-63	-64	0	0	0	111.6	E180 V181 F258 D261 Y267 I281 D282	E180-H265 WeakPolarHBondContact CA-O 3.15Å; V181-H265 PolarHBondContact N-O 2.96Å; V181-H265 PolarHBondContact O-N 2.84Å; F258-H265 WeakPolarHBondContact CA-NE2 3.37Å; F258-H265 AromaticContact CD1-CE1 3.76Å; F258-H265 AromaticContact CD1-ND1 3.72Å; F258-H265 PolarHBondContact O-CD2 2.83Å; D261-H265 IonicContact OD1-CE1 2.82Å; D261-H265 IonicContact OD1-NE2 3Å; D261-H265 PolarHBondContact OD1-NE2 2.97Å; D261-H265 IonicContact OD2-CE1 3.96Å; D261-H265 IonicContact OD2-NE2 4Å; H265-Y267 HydrophobicContact CB-CD2 4.42Å; H265-Y267 HydrophobicContact CB-CE2 3.66Å; H265-I281 HydrophobicContact CB-CG2 4.23Å; H265-D282 WeakPolarHBondContact CA-OD1 3.29Å; H265-D282 WeakPolarHBondContact CB-OD1 3.44Å; H265-D282 IonicContact CE1-OD2 3.12Å; H265-D282 IonicContact CG-OD1 3.46Å; H265-D282 IonicContact CG-OD2 2.73Å; H265-D282 IonicContact ND1-OD1 2.68Å; H265-D282 PolarHBondContact ND1-OD1 3.28Å; H265-D282 IonicContact ND1-OD2 2.65Å; H265-D282 PolarHBondContact ND1-OD2 2.95Å
266	L	96.3	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.7	-179.4	-176.4	76.2	0	0	0	109.8	Q178 E180 I281 D282 Q283 A480 W484	Q178-L266 HydrophobicContact CG-CD1 3.62Å; Q178-L266 HydrophobicContact CG-CD2 4.49Å; Q178-L266 HydrophobicContact CG-CG 4.06Å; E180-L266 HydrophobicContact CG-CD1 3.73Å; L266-I281 CarbonylContact O-C 3.5Å; L266-I281 WeakPolarHBondContact O-CA 3.48Å; L266-D282 PolarHBondContact N-OD1 3.06Å; L266-D282 PolarHBondContact O-N 3.03Å; L266-Q283 HydrophobicContact CD2-CG 4.03Å; L266-A480 HydrophobicContact CD1-CB 4.42Å; L266-A480 HydrophobicContact CD2-CB 3.48Å; L266-A480 VanDerWaalsContact CD2-CB 3.48Å; L266-W484 HydrophobicContact CB-CD2 3.91Å; L266-W484 HydrophobicContact CB-CE3 4.47Å; L266-W484 HydrophobicContact CB-CG 3.99Å; L266-W484 HydrophobicContact CB-CZ2 4.43Å; L266-W484 HydrophobicContact CD1-CB 4.29Å; L266-W484 HydrophobicContact CD1-CG 4.47Å; L266-W484 HydrophobicContact CD2-CD2 4.27Å; L266-W484 HydrophobicContact CD2-CE3 4.11Å
267	Y	96.9	Very high	93.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.1	-179.8	-66.9	-89.3	0	0	0	110.1	Q178 Y179 V181 P220 L229 H265 I281	Q178-Y267 VanDerWaalsContact CA-O 3.31Å; Q178-Y267 WeakPolarHBondContact CA-O 3.42Å; Y179-Y267 PolarHBondContact N-O 2.94Å; Y179-Y267 VanDerWaalsContact N-O 3.07Å; Y179-Y267 PolarHBondContact O-N 2.95Å; V181-Y267 HydrophobicContact CB-CD2 4.16Å; V181-Y267 HydrophobicContact CB-CE2 3.9Å; V181-Y267 HydrophobicContact CG2-CD2 4.01Å; V181-Y267 HydrophobicContact CG2-CE2 4.19Å; P220-Y267 HydrophobicContact CB-CE1 3.93Å; P220-Y267 HydrophobicContact CG-CD1 4.3Å; P220-Y267 HydrophobicContact CG-CD2 4.24Å; P220-Y267 HydrophobicContact CG-CE1 3.9Å; P220-Y267 HydrophobicContact CG-CE2 3.86Å; P220-Y267 HydrophobicContact CG-CG 4.45Å; L229-Y267 HydrophobicContact CD1-CD1 3.62Å; L229-Y267 HydrophobicContact CD1-CE1 3.96Å; H265-Y267 HydrophobicContact CB-CD2 4.42Å; H265-Y267 HydrophobicContact CB-CE2 3.66Å; Y267-I281 HydrophobicContact CD1-CD1 4.38Å; Y267-I281 HydrophobicContact CD1-CG1 3.94Å; Y267-I281 HydrophobicContact CE1-CD1 3.83Å; Y267-I281 HydrophobicContact CE1-CG1 3.85Å; Y267-I281 HydrophobicContact CE1-CG2 4.38Å
268	T	97.4	Very high	93.5	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.025	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.8	-178.7	-48.7	0	0	0	0	111.5	V176 V177 Q178 V270 M279 F280	V176-T268 HydrophobicContact CG1-CG2 4.07Å; V177-T268 CarbonylContact O-C 3.6Å; V177-T268 WeakPolarHBondContact O-CA 3.48Å; Q178-T268 HydrophobicContact CB-CG2 4.11Å; Q178-T268 HydrophobicContact CG-CG2 4.45Å; Q178-T268 WeakPolarHBondContact CG-OG1 3.44Å; Q178-T268 PolarHBondContact OE1-OG1 2.93Å; Q178-T268 VanDerWaalsContact OE1-OG1 3.11Å; T268-V270 HydrophobicContact CG2-CG2 4.28Å; T268-M279 WeakPolarHBondContact O-CA 3.38Å; T268-F280 PolarHBondContact N-O 3.34Å; T268-F280 PolarHBondContact O-N 3.36Å
269	L	97.3	Very high	93.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.6	168.3	176.1	65.1	0	0	0	109	V176 V177 I216 F218 F231 M279	V176-L269 WeakPolarHBondContact CA-O 3.46Å; V177-L269 PolarHBondContact N-O 3.07Å; V177-L269 PolarHBondContact O-N 2.95Å; I216-L269 HydrophobicContact CG2-CD2 4.15Å; F218-L269 HydrophobicContact CB-CD2 4.11Å; F218-L269 HydrophobicContact CD1-CB 3.84Å; F218-L269 HydrophobicContact CD2-CB 3.91Å; F218-L269 HydrophobicContact CD2-CD1 4.44Å; F218-L269 HydrophobicContact CD2-CD2 4.2Å; F218-L269 HydrophobicContact CD2-CG 4.42Å; F218-L269 HydrophobicContact CE1-CB 3.79Å; F218-L269 HydrophobicContact CE2-CB 3.87Å; F218-L269 HydrophobicContact CG-CB 3.91Å; F218-L269 HydrophobicContact CG-CD2 4.05Å; F218-L269 HydrophobicContact CZ-CB 3.81Å; F231-L269 HydrophobicContact CD1-CD1 4.24Å; F231-L269 HydrophobicContact CD2-CD1 4.13Å; F231-L269 HydrophobicContact CD2-CD2 3.77Å; F231-L269 HydrophobicContact CE1-CD1 4.34Å; F231-L269 HydrophobicContact CE2-CD1 4.23Å; F231-L269 HydrophobicContact CE2-CD2 3.72Å; F231-L269 HydrophobicContact CG-CD1 4.16Å; F231-L269 HydrophobicContact CZ-CD1 4.35Å; F231-L269 HydrophobicContact CZ-CD2 4.47Å; L269-M279 HydrophobicContact CD1-CG 3.69Å
270	V	97	Very high	94.1	Very high	10 Å²	10	29.1 Å²	29.1	6%	0.061	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126	167.6	-179	0	0	0	0	108.1	V176 T268 Y277 E278 F280 K473	V176-V270 HydrophobicContact CG1-CG2 4.29Å; V176-V270 HydrophobicContact CG2-CG1 4.37Å; V176-V270 HydrophobicContact CG2-CG2 4.27Å; T268-V270 HydrophobicContact CG2-CG2 4.28Å; V270-Y277 WeakPolarHBondContact O-CA 3.32Å; V270-E278 PolarHBondContact N-O 2.85Å; V270-E278 PolarHBondContact O-N 2.92Å; V270-F280 HydrophobicContact CB-CE2 4.2Å; V270-F280 HydrophobicContact CG2-CD2 4.23Å; V270-F280 HydrophobicContact CG2-CE2 3.72Å; V270-K473 HydrophobicContact CG2-CD 4.37Å; V270-K473 HydrophobicContact CG2-CG 4.26Å
271	L	96.3	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.7	178.5	-180	70.2	0	0	0	110.5	F170 P174 L175 I216 F231 L291 F443 M445	F170-L271 HydrophobicContact CE1-CD2 4.44Å; P174-L271 CarbonylContact C-O 3.56Å; P174-L271 VanDerWaalsContact CA-O 3.27Å; P174-L271 WeakPolarHBondContact CA-O 3.49Å; P174-L271 WeakPolarHBondContact CB-O 3.18Å; L175-L271 HydrophobicContact CB-CB 4.44Å; L175-L271 PolarHBondContact N-O 2.94Å; L175-L271 PolarHBondContact O-N 2.86Å; I216-L271 HydrophobicContact CD1-CD2 4.35Å; F231-L271 HydrophobicContact CZ-CD1 4.23Å; L271-L291 HydrophobicContact CD1-CD1 4.12Å; L271-L291 HydrophobicContact CD1-CD2 3.8Å; L271-L291 HydrophobicContact CD1-CG 4.1Å; L271-F443 HydrophobicContact CD2-CD2 3.88Å; L271-F443 HydrophobicContact CD2-CE2 3.94Å; L271-F443 HydrophobicContact CG-CD2 3.81Å; L271-F443 HydrophobicContact CG-CE2 3.82Å; L271-M445 HydrophobicContact CD2-CE 3.32Å
272	N	95.2	Very high	94.7	Very high	40 Å²	40	24 Å²	24	21%	0.214	12%	0.123	C	C	.	.			trans	-104	153	-170.8	-63.4	-46.5	0	0	0	113.4	D274 N275 S276 F443	N272-D274 WeakPolarHBondContact CB-OD1 3.11Å; N272-D274 PolarHBondContact O-N 2.82Å; N272-D274 VanDerWaalsContact O-N 3.1Å; N272-N275 PolarHBondContact O-N 2.91Å; N272-S276 WeakPolarHBondContact CB-OG 3.39Å; N272-S276 PolarHBondContact N-O 2.9Å; N272-S276 PolarHBondContact ND2-OG 3.25Å; N272-F443 WeakPolarHBondContact O-CD2 3.37Å
273	P	94.1	Very high	94.8	Very high	40 Å²	40	23.4 Å²	23.4	26%	0.26	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.6	178.5	-22.7	34	0	0	0	115.8	D172 N275 F443	D172-P273 WeakPolarHBondContact O-CG 3.44Å; P273-N275 PolarHBondContact O-N 3.17Å; P273-F443 HydrophobicContact CB-CD1 4.15Å; P273-F443 HydrophobicContact CB-CE1 4.02Å; P273-F443 HydrophobicContact CB-CZ 4.46Å; P273-F443 HydrophobicContact CG-CE1 4.04Å; P273-F443 HydrophobicContact CG-CZ 4.09Å
274	D	92.5	Very high	95	Very high	100 Å²	100	23.7 Å²	23.7	54%	0.535	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6	172.1	70.3	-11.5	0	0	0	113.2	N272 S276 N290	N272-D274 WeakPolarHBondContact CB-OD1 3.11Å; N272-D274 PolarHBondContact O-N 2.82Å; N272-D274 VanDerWaalsContact O-N 3.1Å; D274-S276 VanDerWaalsContact C-N 3.27Å; D274-S276 PolarHBondContact O-N 3.21Å; D274-S276 VanDerWaalsContact OD1-CB 3.27Å; D274-S276 WeakPolarHBondContact OD1-CB 3.29Å; D274-S276 PolarHBondContact OD1-N 2.81Å; D274-S276 PolarHBondContact OD1-OG 3.13Å; D274-S276 PolarHBondContact OD2-OG 3.03Å; D274-N290 PolarHBondContact O-ND2 3.5Å
275	N	93.1	Very high	95	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.059	15%	0.148	C	C	.	.	S	Bend	trans	69.6	10	-172.7	-41.8	-76.3	0	0	0	114.9	N272 P273 N290 L291 L440 P442 F443	N272-N275 PolarHBondContact O-N 2.91Å; P273-N275 PolarHBondContact O-N 3.17Å; N275-N290 CarbonylContact O-C 3.59Å; N275-N290 VanDerWaalsContact O-CA 3.29Å; N275-N290 WeakPolarHBondContact O-CA 3.47Å; N275-N290 VanDerWaalsContact O-CG 3.27Å; N275-N290 PolarHBondContact O-ND2 3.48Å; N275-N290 PolarHBondContact O-OD1 3.27Å; N275-L291 HydrophobicContact CB-CB 4.15Å; N275-L291 HydrophobicContact CB-CD1 4.26Å; N275-L291 HydrophobicContact CB-CG 4.2Å; N275-L291 PolarHBondContact O-N 3.21Å; N275-L440 PolarHBondContact ND2-O 2.78Å; N275-P442 HydrophobicContact CB-CG 4.4Å; N275-P442 WeakPolarHBondContact OD1-CD 3.26Å; N275-P442 WeakPolarHBondContact OD1-CG 3.35Å; N275-F443 WeakPolarHBondContact OD1-CB 3.23Å; N275-F443 PolarHBondContact OD1-N 2.87Å
276	S	95.2	Very high	94.9	Very high	19 Å²	19	26.1 Å²	26.1	13%	0.133	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	145	168.3	67	0	0	0	0	111.3	N272 D274 G289	N272-S276 WeakPolarHBondContact CB-OG 3.39Å; N272-S276 PolarHBondContact N-O 2.9Å; N272-S276 PolarHBondContact ND2-OG 3.25Å; D274-S276 VanDerWaalsContact C-N 3.27Å; D274-S276 PolarHBondContact O-N 3.21Å; D274-S276 VanDerWaalsContact OD1-CB 3.27Å; D274-S276 WeakPolarHBondContact OD1-CB 3.29Å; D274-S276 PolarHBondContact OD1-N 2.81Å; D274-S276 PolarHBondContact OD1-OG 3.13Å; D274-S276 PolarHBondContact OD2-OG 3.03Å; S276-G289 WeakPolarHBondContact CA-O 3.39Å
277	Y	95.3	Very high	94.8	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.3	171.7	72.7	-92.4	0	0	0	110.6	F231 A248 V270 M279 R288 G289 L291 D294 M295	F231-Y277 AromaticContact CD1-CD2 3.77Å; F231-Y277 HydrophobicContact CD1-CD2 3.77Å; F231-Y277 HydrophobicContact CD1-CE2 4.04Å; F231-Y277 HydrophobicContact CD1-CG 4.04Å; F231-Y277 AromaticContact CE1-CD1 3.93Å; F231-Y277 HydrophobicContact CE1-CD1 3.93Å; F231-Y277 AromaticContact CE1-CD2 3.82Å; F231-Y277 HydrophobicContact CE1-CD2 3.82Å; F231-Y277 HydrophobicContact CE1-CE1 4.45Å; F231-Y277 HydrophobicContact CE1-CE2 4.38Å; F231-Y277 AromaticContact CE1-CG 3.58Å; F231-Y277 HydrophobicContact CE1-CG 3.58Å; A248-Y277 HydrophobicContact CB-CE2 4.37Å; V270-Y277 WeakPolarHBondContact O-CA 3.32Å; Y277-M279 HydrophobicContact CD2-CG 4.21Å; Y277-M279 HydrophobicContact CD2-SD 3.88Å; Y277-M279 HydrophobicContact CE2-SD 3.74Å; Y277-R288 WeakPolarHBondContact O-CA 3.42Å; Y277-G289 WeakPolarHBondContact CD1-O 3.22Å; Y277-G289 VanDerWaalsContact CE1-C 3.42Å; Y277-G289 PolarHBondContact N-O 3.06Å; Y277-G289 PolarHBondContact O-N 3.35Å; Y277-L291 HydrophobicContact CD1-CD2 4.12Å; Y277-D294 HydrophobicContact CE1-CB 4.08Å; Y277-D294 WeakPolarHBondContact OH-CB 3.33Å; Y277-M295 HydrophobicContact CD1-CE 4.05Å; Y277-M295 HydrophobicContact CE1-CE 3.61Å
278	E	95.6	Very high	94.6	Very high	38 Å²	38	35.5 Å²	35.5	18%	0.178	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.9	176.5	-71.7	176.9	-159.9	0	0	108.9	V270 F280 R288	V270-E278 PolarHBondContact N-O 2.85Å; V270-E278 PolarHBondContact O-N 2.92Å; E278-F280 HydrophobicContact CB-CE2 3.57Å; E278-F280 HydrophobicContact CB-CZ 3.84Å; E278-R288 HydrophobicContact CG-CB 4.23Å; E278-R288 HydrophobicContact CG-CG 3.82Å; E278-R288 IonicContact OE1-CZ 3.85Å; E278-R288 IonicContact OE1-NE 2.72Å; E278-R288 PolarHBondContact OE1-NE 2.92Å; E278-R288 IonicContact OE1-NH2 3.56Å; E278-R288 PolarHBondContact OE1-NH2 3.01Å
279	M	95.8	Very high	94.4	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.2	-178.1	-66.9	156.9	67.6	0	0	108.3	F218 L229 F231 T268 L269 Y277 V286 S287	F218-M279 HydrophobicContact CD2-CE 4.49Å; F218-M279 HydrophobicContact CE2-CE 4.13Å; F218-M279 HydrophobicContact CE2-CG 4.21Å; L229-M279 HydrophobicContact CB-CE 4.35Å; L229-M279 HydrophobicContact CD2-CB 4.32Å; L229-M279 HydrophobicContact CD2-CE 3.69Å; L229-M279 HydrophobicContact CG-CE 3.59Å; F231-M279 HydrophobicContact CB-CE 3.61Å; F231-M279 HydrophobicContact CB-SD 3.62Å; F231-M279 HydrophobicContact CD1-SD 3.98Å; F231-M279 HydrophobicContact CG-SD 4.16Å; T268-M279 WeakPolarHBondContact O-CA 3.38Å; L269-M279 HydrophobicContact CD1-CG 3.69Å; Y277-M279 HydrophobicContact CD2-CG 4.21Å; Y277-M279 HydrophobicContact CD2-SD 3.88Å; Y277-M279 HydrophobicContact CE2-SD 3.74Å; M279-V286 HydrophobicContact CB-CG2 4.47Å; M279-V286 WeakPolarHBondContact O-CG2 3.37Å; M279-V286 PolarHBondContact O-N 3.43Å; M279-S287 PolarHBondContact N-O 2.94Å; M279-S287 PolarHBondContact O-N 3.38Å
280	F	95.5	Very high	94.2	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.1	-176.8	-52.3	-106.1	0	0	0	110.3	T268 V270 E278 S284	T268-F280 PolarHBondContact N-O 3.34Å; T268-F280 PolarHBondContact O-N 3.36Å; V270-F280 HydrophobicContact CB-CE2 4.2Å; V270-F280 HydrophobicContact CG2-CD2 4.23Å; V270-F280 HydrophobicContact CG2-CE2 3.72Å; E278-F280 HydrophobicContact CB-CE2 3.57Å; E278-F280 HydrophobicContact CB-CZ 3.84Å; F280-S284 CarbonylContact C-O 3.6Å; F280-S284 WeakPolarHBondContact CA-O 3.18Å; F280-S284 WeakPolarHBondContact CB-O 3.44Å
281	I	95.3	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.1	162.4	-57.7	176.4	0	0	0	106.5	L229 L255 F258 H265 L266 Y267 Q283 S284 V286	L229-I281 HydrophobicContact CD2-CD1 4.17Å; L229-I281 HydrophobicContact CD2-CG1 4.14Å; L255-I281 HydrophobicContact CD2-CD1 3.73Å; F258-I281 HydrophobicContact CD1-CG2 3.64Å; F258-I281 HydrophobicContact CD2-CD1 3.89Å; F258-I281 HydrophobicContact CD2-CG2 4.46Å; F258-I281 HydrophobicContact CE1-CG2 3.77Å; F258-I281 HydrophobicContact CE2-CD1 4.13Å; F258-I281 HydrophobicContact CG-CD1 4.28Å; F258-I281 HydrophobicContact CG-CG2 4Å; F258-I281 HydrophobicContact CZ-CG2 4.26Å; H265-I281 HydrophobicContact CB-CG2 4.23Å; L266-I281 CarbonylContact O-C 3.5Å; L266-I281 WeakPolarHBondContact O-CA 3.48Å; Y267-I281 HydrophobicContact CD1-CD1 4.38Å; Y267-I281 HydrophobicContact CD1-CG1 3.94Å; Y267-I281 HydrophobicContact CE1-CD1 3.83Å; Y267-I281 HydrophobicContact CE1-CG1 3.85Å; Y267-I281 HydrophobicContact CE1-CG2 4.38Å; I281-Q283 VanDerWaalsContact C-N 3.25Å; I281-Q283 PolarHBondContact O-N 3.04Å; I281-S284 PolarHBondContact N-O 2.65Å; I281-S284 WeakPolarHBondContact O-CA 3.29Å; I281-S284 WeakPolarHBondContact O-CB 3.44Å; I281-S284 PolarHBondContact O-N 3.41Å; I281-S284 VanDerWaalsContact O-O 3.09Å; I281-V286 HydrophobicContact CB-CG1 4.07Å; I281-V286 HydrophobicContact CD1-CG1 4.17Å; I281-V286 HydrophobicContact CD1-CG2 4.13Å; I281-V286 HydrophobicContact CG1-CG1 4.06Å; I281-V286 HydrophobicContact CG1-CG2 3.9Å
282	D	93.6	Very high	93.6	Very high	28 Å²	28	38 Å²	38	15%	0.15	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	41.6	175.5	-67.7	1.7	0	0	0	112.8	H265 L266 S284 W484	H265-D282 WeakPolarHBondContact CA-OD1 3.29Å; H265-D282 WeakPolarHBondContact CB-OD1 3.44Å; H265-D282 IonicContact CE1-OD2 3.12Å; H265-D282 IonicContact CG-OD1 3.46Å; H265-D282 IonicContact CG-OD2 2.73Å; H265-D282 IonicContact ND1-OD1 2.68Å; H265-D282 PolarHBondContact ND1-OD1 3.28Å; H265-D282 IonicContact ND1-OD2 2.65Å; H265-D282 PolarHBondContact ND1-OD2 2.95Å; L266-D282 PolarHBondContact N-OD1 3.06Å; L266-D282 PolarHBondContact O-N 3.03Å; D282-S284 PolarHBondContact O-N 2.85Å; D282-S284 VanDerWaalsContact O-N 3.08Å; D282-W484 HydrophobicContact CB-CH2 3.58Å; D282-W484 HydrophobicContact CB-CZ2 3.52Å; D282-W484 WeakPolarHBondContact OD1-CZ2 3.33Å
283	Q	91.9	Very high	93.3	Very high	81 Å²	81	44.3 Å²	44.3	38%	0.379	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-0.9	-172.3	-55.3	178.3	-5.4	0	0	115.6	L266 I281 W484	L266-Q283 HydrophobicContact CD2-CG 4.03Å; I281-Q283 VanDerWaalsContact C-N 3.25Å; I281-Q283 PolarHBondContact O-N 3.04Å; Q283-W484 HydrophobicContact CG-CZ3 4.01Å
284	S	92.4	Very high	93.1	Very high	74 Å²	74	44.3 Å²	44.3	52%	0.517	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.6	178.5	-55.8	0	0	0	0	110.8	F280 I281 D282 V286	F280-S284 CarbonylContact C-O 3.6Å; F280-S284 WeakPolarHBondContact CA-O 3.18Å; F280-S284 WeakPolarHBondContact CB-O 3.44Å; I281-S284 PolarHBondContact N-O 2.65Å; I281-S284 WeakPolarHBondContact O-CA 3.29Å; I281-S284 WeakPolarHBondContact O-CB 3.44Å; I281-S284 PolarHBondContact O-N 3.41Å; I281-S284 VanDerWaalsContact O-O 3.09Å; D282-S284 PolarHBondContact O-N 2.85Å; D282-S284 VanDerWaalsContact O-N 3.08Å; S284-V286 PolarHBondContact O-N 2.9Å
285	S	93.7	Very high	93.1	Very high	65 Å²	65	39.9 Å²	39.9	46%	0.455	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.7	179.1	-168.1	0	0	0	0	110.5
286	V	93.6	Very high	93	Very high	13 Å²	13	43.3 Å²	43.3	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-20.6	-179.5	-61.5	0	0	0	0	113.5	L229 A251 V253 M279 I281 S284	L229-V286 HydrophobicContact CD2-CG2 3.8Å; A251-V286 WeakPolarHBondContact CB-O 3.16Å; V253-V286 HydrophobicContact CG2-CB 4.38Å; M279-V286 HydrophobicContact CB-CG2 4.47Å; M279-V286 WeakPolarHBondContact O-CG2 3.37Å; M279-V286 PolarHBondContact O-N 3.43Å; I281-V286 HydrophobicContact CB-CG1 4.07Å; I281-V286 HydrophobicContact CD1-CG1 4.17Å; I281-V286 HydrophobicContact CD1-CG2 4.13Å; I281-V286 HydrophobicContact CG1-CG1 4.06Å; I281-V286 HydrophobicContact CG1-CG2 3.9Å; S284-V286 PolarHBondContact O-N 2.9Å
287	S	92.6	Very high	92.8	Very high	13 Å²	13	45.6 Å²	45.6	9%	0.091	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	143.9	173.3	-177	0	0	0	0	110.5	M279	M279-S287 PolarHBondContact N-O 2.94Å; M279-S287 PolarHBondContact O-N 3.38Å
288	R	93.9	Very high	92.5	Very high	183 Å²	183	48.4 Å²	48.4	69%	0.691	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	134.4	-179	177.4	174.2	-147.3	-141.8	6.4	108.8	Y277 E278	Y277-R288 WeakPolarHBondContact O-CA 3.42Å; E278-R288 HydrophobicContact CG-CB 4.23Å; E278-R288 HydrophobicContact CG-CG 3.82Å; E278-R288 IonicContact OE1-CZ 3.85Å; E278-R288 IonicContact OE1-NE 2.72Å; E278-R288 PolarHBondContact OE1-NE 2.92Å; E278-R288 IonicContact OE1-NH2 3.56Å; E278-R288 PolarHBondContact OE1-NH2 3.01Å
289	G	92.6	Very high	92.2	Very high	12 Å²	12	46.6 Å²	46.6	12%	0.124	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-168.6	179.1	0	0	0	0	0	113.4	S276 Y277 D294	S276-G289 WeakPolarHBondContact CA-O 3.39Å; Y277-G289 WeakPolarHBondContact CD1-O 3.22Å; Y277-G289 VanDerWaalsContact CE1-C 3.42Å; Y277-G289 PolarHBondContact N-O 3.06Å; Y277-G289 PolarHBondContact O-N 3.35Å; G289-D294 VanDerWaalsContact CA-OD2 3.29Å; G289-D294 WeakPolarHBondContact CA-OD2 3.42Å
290	N	93.6	Very high	91.9	Very high	34 Å²	34	48 Å²	48	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.9	174.4	-167.6	-75.2	0	0	0	111.1	D274 N275 L292 Y293 D294	D274-N290 PolarHBondContact O-ND2 3.5Å; N275-N290 CarbonylContact O-C 3.59Å; N275-N290 VanDerWaalsContact O-CA 3.29Å; N275-N290 WeakPolarHBondContact O-CA 3.47Å; N275-N290 VanDerWaalsContact O-CG 3.27Å; N275-N290 PolarHBondContact O-ND2 3.48Å; N275-N290 PolarHBondContact O-OD1 3.27Å; N290-L292 PolarHBondContact O-N 3.48Å; N290-L292 WeakPolarHBondContact OD1-CB 3.08Å; N290-L292 PolarHBondContact OD1-N 3.02Å; N290-Y293 HydrophobicContact CB-CD2 4.2Å; N290-Y293 PolarHBondContact O-N 3.01Å; N290-Y293 VanDerWaalsContact O-N 3.08Å; N290-D294 PolarHBondContact N-OD2 3.03Å; N290-D294 PolarHBondContact O-N 2.98Å
291	L	91.6	Very high	91.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.2	-179.7	-57.4	-177.5	0	0	0	113.3	F231 F233 L271 N275 Y277 M295 V299 P442 F443	F231-L291 HydrophobicContact CE1-CD2 3.96Å; F231-L291 HydrophobicContact CZ-CD2 3.95Å; F233-L291 HydrophobicContact CD1-CD2 4.19Å; F233-L291 HydrophobicContact CE1-CB 4.36Å; F233-L291 HydrophobicContact CE1-CD2 3.81Å; F233-L291 HydrophobicContact CE1-CG 4.49Å; F233-L291 HydrophobicContact CZ-CB 4.18Å; F233-L291 HydrophobicContact CZ-CD1 4.3Å; F233-L291 HydrophobicContact CZ-CD2 4.25Å; F233-L291 HydrophobicContact CZ-CG 4.49Å; L271-L291 HydrophobicContact CD1-CD1 4.12Å; L271-L291 HydrophobicContact CD1-CD2 3.8Å; L271-L291 HydrophobicContact CD1-CG 4.1Å; N275-L291 HydrophobicContact CB-CB 4.15Å; N275-L291 HydrophobicContact CB-CD1 4.26Å; N275-L291 HydrophobicContact CB-CG 4.2Å; N275-L291 PolarHBondContact O-N 3.21Å; Y277-L291 HydrophobicContact CD1-CD2 4.12Å; L291-M295 HydrophobicContact CD2-CE 3.8Å; L291-M295 WeakPolarHBondContact O-CG 3.43Å; L291-V299 WeakPolarHBondContact O-CG2 3.35Å; L291-P442 HydrophobicContact CB-CB 4.25Å; L291-P442 HydrophobicContact CB-CG 3.74Å; L291-P442 HydrophobicContact CD1-CB 4.12Å; L291-P442 HydrophobicContact CD1-CG 4.1Å; L291-F443 HydrophobicContact CD1-CB 4.39Å
292	L	89.5	Confident	91.3	Very high	23 Å²	23	52 Å²	52	12%	0.12	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-29	-178.6	-67.1	167.9	0	0	0	114	N290 D439 P442	N290-L292 PolarHBondContact O-N 3.48Å; N290-L292 WeakPolarHBondContact OD1-CB 3.08Å; N290-L292 PolarHBondContact OD1-N 3.02Å; L292-D439 WeakPolarHBondContact CD2-O 3.4Å; L292-P442 HydrophobicContact CD2-CG 3.72Å; L292-P442 HydrophobicContact CG-CG 4.04Å
293	Y	87.2	Confident	91.2	Very high	172 Å²	172	56.1 Å²	56.1	68%	0.675	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-21.9	-166.3	-53.3	-58.7	0	0	0	114.3	K249 N290	K249-Y293 PolarHBondContact NZ-O 3.03Å; N290-Y293 HydrophobicContact CB-CD2 4.2Å; N290-Y293 PolarHBondContact O-N 3.01Å; N290-Y293 VanDerWaalsContact O-N 3.08Å
294	D	90.7	Very high	91.2	Very high	40 Å²	40	56.4 Å²	56.4	21%	0.214	30%	0.298	C	S	.	.	S	Bend	trans	-108.7	23.2	-173.3	-57	-56.7	0	0	0	113.2	K249 Y277 G289 N290	K249-D294 HydrophobicContact CD-CB 4.12Å; K249-D294 PolarHBondContact N-O 3.22Å; K249-D294 IonicContact NZ-OD1 2.64Å; K249-D294 PolarHBondContact NZ-OD1 2.92Å; Y277-D294 HydrophobicContact CE1-CB 4.08Å; Y277-D294 WeakPolarHBondContact OH-CB 3.33Å; G289-D294 VanDerWaalsContact CA-OD2 3.29Å; G289-D294 WeakPolarHBondContact CA-OD2 3.42Å; N290-D294 PolarHBondContact N-OD2 3.03Å; N290-D294 PolarHBondContact O-N 2.98Å
295	M	91.9	Very high	91.1	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.3	-179.4	-67.8	-68.9	154.1	0	0	112.1	F231 F233 K246 H247 A248 Y277 L291 P297 P298	F231-M295 HydrophobicContact CD1-CE 3.9Å; F231-M295 HydrophobicContact CE1-CE 3.64Å; F231-M295 HydrophobicContact CZ-CE 4.47Å; F233-M295 HydrophobicContact CD1-CE 4.34Å; F233-M295 HydrophobicContact CD1-SD 4.06Å; F233-M295 HydrophobicContact CE1-CE 4.09Å; F233-M295 HydrophobicContact CE1-CG 3.89Å; F233-M295 HydrophobicContact CE1-SD 3.66Å; K246-M295 HydrophobicContact CB-CB 4.43Å; K246-M295 HydrophobicContact CB-SD 4.37Å; H247-M295 CarbonylContact O-C 3.56Å; H247-M295 WeakPolarHBondContact O-CA 3.34Å; A248-M295 HydrophobicContact CB-CE 3.87Å; A248-M295 HydrophobicContact CB-SD 4.33Å; A248-M295 PolarHBondContact N-SD 2.89Å; A248-M295 VanDerWaalsContact N-SD 3.45Å; Y277-M295 HydrophobicContact CD1-CE 4.05Å; Y277-M295 HydrophobicContact CE1-CE 3.61Å; L291-M295 HydrophobicContact CD2-CE 3.8Å; L291-M295 WeakPolarHBondContact O-CG 3.43Å; M295-P297 CarbonylContact C-O 3.54Å; M295-P297 CarbonylContact O-C 3.6Å; M295-P298 WeakPolarHBondContact O-CA 3.08Å
296	V	91.5	Very high	91.1	Very high	83 Å²	83	56.6 Å²	56.6	50%	0.503	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.1	179.8	-174.8	0	0	0	0	108.5	H247 K249	H247-V296 WeakPolarHBondContact CB-O 3.33Å; H247-V296 PolarHBondContact CD2-O 2.88Å; H247-V296 PolarHBondContact N-O 2.9Å; H247-V296 PolarHBondContact O-N 2.8Å; K249-V296 HydrophobicContact CG-CG2 4.17Å
297	P	91.5	Very high	91	Very high	68 Å²	68	57.2 Å²	57.2	44%	0.442	29%	0.291	S	S	.	.	S	Bend	cis	-56.9	159	-14.8	-19.3	32.8	0	0	0	111.7	K246 M295	K246-P297 WeakPolarHBondContact CD-O 3.21Å; M295-P297 CarbonylContact C-O 3.54Å; M295-P297 CarbonylContact O-C 3.6Å
298	P	89.6	Confident	90.9	Very high	61 Å²	61	62 Å²	62	40%	0.396	32%	0.321	S	S	.	.			trans	-61.3	153.6	175.7	27.3	-35.5	0	0	0	111.4	K246 M295	K246-P298 PolarHBondContact NZ-O 3.19Å; M295-P298 WeakPolarHBondContact O-CA 3.08Å
299	V	88.8	Confident	90.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-61.8	-56.7	173.8	168.7	0	0	0	0	110	F233 K246 L291 F437 P442	F233-V299 HydrophobicContact CE1-CG2 4.43Å; F233-V299 HydrophobicContact CZ-CG2 3.67Å; K246-V299 HydrophobicContact CG-CG2 4.4Å; L291-V299 WeakPolarHBondContact O-CG2 3.35Å; V299-F437 WeakPolarHBondContact O-CE2 3.19Å; V299-F437 WeakPolarHBondContact O-CZ 3.32Å; V299-P442 HydrophobicContact CG1-CB 4.04Å; V299-P442 HydrophobicContact CG1-CG 4.41Å; V299-P442 HydrophobicContact CG2-CB 4.21Å
300	N	89.9	Confident	90.7	Very high	35 Å²	35	60.6 Å²	60.6	19%	0.187	33%	0.325	C	S	.	.	S	Bend	trans	-85.2	119.2	176.3	-68	-36	0	0	0	109	D439	N300-D439 PolarHBondContact ND2-O 2.65Å; N300-D439 PolarHBondContact OD1-N 2.96Å; N300-D439 PolarHBondContact OD1-O 2.95Å
301	P	88.8	Confident	90.6	Very high	27 Å²	27	63.2 Å²	63.2	18%	0.175	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.6	157.8	175.9	28.3	-35.1	0	0	0	110.8	E435 Y436 F437	P301-E435 WeakPolarHBondContact CG-O 3.34Å; P301-Y436 HydrophobicContact CG-CD2 4.43Å; P301-Y436 VanDerWaalsContact O-CD2 3.28Å; P301-Y436 WeakPolarHBondContact O-CD2 3.37Å; P301-Y436 VanDerWaalsContact O-CE2 3.27Å; P301-Y436 WeakPolarHBondContact O-CE2 3.24Å; P301-F437 VanDerWaalsContact CD-CE1 3.46Å; P301-F437 HydrophobicContact CG-CD1 3.82Å; P301-F437 HydrophobicContact CG-CE1 3.81Å; P301-F437 HydrophobicContact CG-CG 4.49Å; P301-F437 HydrophobicContact CG-CZ 4.48Å
302	P	89.6	Confident	90.6	Very high	74 Å²	74	67.4 Å²	67.4	48%	0.481	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.2	143.4	-179.1	28.4	-36	0	0	0	111.3	E304 I305 N433	P302-E304 WeakPolarHBondContact CB-O 3.24Å; P302-E304 PolarHBondContact O-N 2.84Å; P302-I305 HydrophobicContact CG-CG2 4.06Å; P302-N433 VanDerWaalsContact O-CB 3.26Å; P302-N433 WeakPolarHBondContact O-CB 3.43Å; P302-N433 PolarHBondContact O-ND2 2.94Å
303	K	89.6	Confident	90.8	Very high	115 Å²	115	68.7 Å²	68.7	50%	0.5	37%	0.374	S	S	.	.	S	Bend	trans	-63.7	-30.6	178.2	-73.3	176.3	176	173.9	0	112.4	N433 Y436 E438	K303-N433 PolarHBondContact O-N 2.78Å; K303-Y436 HydrophobicContact CB-CD2 4.42Å; K303-Y436 HydrophobicContact CB-CE2 4.49Å; K303-Y436 HydrophobicContact CD-CE1 4.45Å; K303-Y436 HydrophobicContact CD-CE2 4.38Å; K303-Y436 WeakPolarHBondContact CE-OH 3.37Å; K303-Y436 HydrophobicContact CG-CD1 4.31Å; K303-Y436 HydrophobicContact CG-CD2 3.79Å; K303-Y436 HydrophobicContact CG-CE1 3.97Å; K303-Y436 HydrophobicContact CG-CE2 3.44Å; K303-Y436 VanDerWaalsContact CG-CE2 3.44Å; K303-Y436 HydrophobicContact CG-CG 4.25Å; K303-Y436 PolarHBondContact NZ-OH 3.03Å; K303-E438 IonicContact NZ-OE1 2.75Å; K303-E438 PolarHBondContact NZ-OE1 3.36Å
304	E	91.8	Very high	90.9	Very high	87 Å²	87	69.2 Å²	69.2	41%	0.407	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.8	177.6	-65.1	176.9	169.8	0	0	109.7	P302 K430 M431 M432	P302-E304 WeakPolarHBondContact CB-O 3.24Å; P302-E304 PolarHBondContact O-N 2.84Å; E304-K430 HydrophobicContact CB-CB 4.29Å; E304-K430 HydrophobicContact CB-CD 4.17Å; E304-K430 VanDerWaalsContact OE2-CD 3.3Å; E304-K430 WeakPolarHBondContact OE2-CD 3.21Å; E304-M431 CarbonylContact C-O 3.6Å; E304-M431 VanDerWaalsContact CA-O 3.25Å; E304-M431 WeakPolarHBondContact CA-O 3.5Å; E304-M432 HydrophobicContact CG-CE 4.24Å; E304-M432 HydrophobicContact CG-SD 4.48Å
305	I	92.1	Very high	90.9	Very high	58 Å²	58	73.3 Å²	73.3	30%	0.297	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154	171.6	53.5	174.7	0	0	0	109.3	P302 K430 M431 N433	P302-I305 HydrophobicContact CG-CG2 4.06Å; I305-K430 WeakPolarHBondContact O-CA 3.46Å; I305-M431 PolarHBondContact N-O 3.12Å; I305-M431 PolarHBondContact O-N 3.15Å; I305-N433 HydrophobicContact CD1-CB 4.31Å; I305-N433 HydrophobicContact CG1-CB 4.09Å; I305-N433 HydrophobicContact CG2-CB 4.01Å
306	D	92.5	Very high	90.9	Very high	85 Å²	85	76.4 Å²	76.4	46%	0.455	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.2	174.4	-63.3	-15.5	0	0	0	109.4	P308 P428	D306-P308 WeakPolarHBondContact O-CD 3.48Å; D306-P428 HydrophobicContact CB-CB 4.03Å; D306-P428 HydrophobicContact CB-CG 4.01Å
307	D	92.1	Very high	90.9	Very high	25 Å²	25	73.7 Å²	73.7	13%	0.134	40%	0.404	C	S	.	.			trans	-71.4	115.8	-173.5	-175.6	-1.1	0	0	0	111.7	N309 D310 R429 M431	D307-N309 PolarHBondContact O-N 2.69Å; D307-N309 VanDerWaalsContact O-N 3.1Å; D307-N309 WeakPolarHBondContact OD1-CB 3.23Å; D307-N309 PolarHBondContact OD1-N 2.93Å; D307-N309 PolarHBondContact OD1-ND2 3.17Å; D307-D310 HydrophobicContact CB-CB 3.88Å; D307-D310 PolarHBondContact O-N 2.88Å; D307-R429 VanDerWaalsContact CB-O 3.32Å; D307-R429 WeakPolarHBondContact CB-O 3.39Å; D307-R429 PolarHBondContact N-O 3.36Å; D307-M431 HydrophobicContact CB-CE 3.82Å; D307-M431 HydrophobicContact CB-CG 4.12Å; D307-M431 HydrophobicContact CB-SD 4.34Å; D307-M431 VanDerWaalsContact OD1-CE 3.23Å; D307-M431 WeakPolarHBondContact OD1-CE 3.29Å
308	P	90.7	Very high	90.9	Very high	113 Å²	113	73.5 Å²	73.5	73%	0.734	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.8	178.9	31.1	-36.5	0	0	0	113.7	D306	D306-P308 WeakPolarHBondContact O-CD 3.48Å
309	N	89.8	Confident	90.9	Very high	137 Å²	137	77.9 Å²	77.9	73%	0.733	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-9.8	176.7	-45.7	-94.2	0	0	0	112.9	D307	D307-N309 PolarHBondContact O-N 2.69Å; D307-N309 VanDerWaalsContact O-N 3.1Å; D307-N309 WeakPolarHBondContact OD1-CB 3.23Å; D307-N309 PolarHBondContact OD1-N 2.93Å; D307-N309 PolarHBondContact OD1-ND2 3.17Å
310	D	92.3	Very high	91.1	Very high	29 Å²	29	80.1 Å²	80.1	16%	0.155	43%	0.425	C	S	.	.			trans	-88.9	128.1	175.4	-163.5	46.2	0	0	0	107.9	D307 W426 P428 R429	D307-D310 HydrophobicContact CB-CB 3.88Å; D307-D310 PolarHBondContact O-N 2.88Å; D310-W426 WeakPolarHBondContact O-CH2 3.35Å; D310-P428 HydrophobicContact CB-CB 4.35Å; D310-R429 IonicContact OD1-CZ 3.95Å; D310-R429 IonicContact OD1-NE 2.68Å; D310-R429 PolarHBondContact OD1-NE 3.15Å; D310-R429 IonicContact OD1-NH1 3.66Å; D310-R429 IonicContact OD1-NH2 2.77Å; D310-R429 WeakPolarHBondContact OD2-CD 3.31Å; D310-R429 WeakPolarHBondContact OD2-CG 3.32Å; D310-R429 PolarHBondContact OD2-N 3.43Å; D310-R429 IonicContact OD2-NE 2.76Å
311	S	91.3	Very high	91.2	Very high	90 Å²	90	84.1 Å²	84.1	63%	0.629	44%	0.44	S	S	*	.			trans	-125.5	152.2	-177	65.7	0	0	0	0	111	P313	S311-P313 WeakPolarHBondContact O-CD 3.46Å
312	K	91.7	Very high	91.4	Very high	87 Å²	87	84.3 Å²	84.3	38%	0.378	44%	0.44	S	S	.	.			trans	-56.1	124.7	178.4	-175.5	-176.8	167.9	-168.4	0	110.3	W316 E318 W426	K312-W316 WeakPolarHBondContact CE-O 3.44Å; K312-W316 HydrophobicContact CG-CB 4.19Å; K312-W316 PolarHBondContact NZ-O 3.29Å; K312-E318 WeakPolarHBondContact CE-OE2 3.21Å; K312-E318 VanDerWaalsContact NZ-CD 3.29Å; K312-E318 IonicContact NZ-OE2 2.72Å; K312-E318 PolarHBondContact NZ-OE2 2.97Å; K312-W426 HydrophobicContact CB-CD2 3.71Å; K312-W426 HydrophobicContact CB-CE3 3.81Å; K312-W426 HydrophobicContact CB-CG 4.05Å; K312-W426 HydrophobicContact CB-CZ3 4.28Å; K312-W426 HydrophobicContact CD-CB 4.26Å; K312-W426 HydrophobicContact CG-CB 4Å; K312-W426 HydrophobicContact CG-CD2 4.07Å; K312-W426 HydrophobicContact CG-CE3 4.45Å; K312-W426 HydrophobicContact CG-CG 3.84Å
313	P	92.9	Very high	91.5	Very high	50 Å²	50	84.4 Å²	84.4	33%	0.325	44%	0.441	S	S	.	.			trans	-66.4	144.4	173.5	-21.9	34.1	0	0	0	112.5	S311 D315 W316	S311-P313 WeakPolarHBondContact O-CD 3.46Å; P313-D315 WeakPolarHBondContact CB-OD1 3.48Å; P313-D315 PolarHBondContact O-N 3.01Å; P313-W316 HydrophobicContact CB-CB 4.31Å; P313-W316 VanDerWaalsContact O-CB 3.32Å; P313-W316 WeakPolarHBondContact O-CB 3.44Å; P313-W316 PolarHBondContact O-N 2.88Å
314	D	89.9	Confident	91.6	Very high	184 Å²	184	80.9 Å²	80.9	98%	0.984	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.3	177.7	-62.4	-53	0	0	0	113.3
315	D	90.8	Very high	91.4	Very high	125 Å²	125	82 Å²	82	67%	0.668	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	5.1	177	64.1	-35.6	0	0	0	114	P313 D317 Q423	P313-D315 WeakPolarHBondContact CB-OD1 3.48Å; P313-D315 PolarHBondContact O-N 3.01Å; D315-D317 PolarHBondContact O-N 2.81Å; D315-Q423 PolarHBondContact O-NE2 3.18Å
316	W	91	Very high	91.2	Very high	71 Å²	71	87.6 Å²	87.6	27%	0.269	47%	0.467	S	S	.	.			trans	-88.3	98.5	178.5	-165.3	-73.4	0	0	0	112.3	K312 P313 Q423 G424 W426	K312-W316 WeakPolarHBondContact CE-O 3.44Å; K312-W316 HydrophobicContact CG-CB 4.19Å; K312-W316 PolarHBondContact NZ-O 3.29Å; P313-W316 HydrophobicContact CB-CB 4.31Å; P313-W316 VanDerWaalsContact O-CB 3.32Å; P313-W316 WeakPolarHBondContact O-CB 3.44Å; P313-W316 PolarHBondContact O-N 2.88Å; W316-Q423 HydrophobicContact CD2-CB 3.84Å; W316-Q423 VanDerWaalsContact CE2-CB 3.49Å; W316-Q423 HydrophobicContact CE3-CB 4.2Å; W316-Q423 HydrophobicContact CG-CB 4.41Å; W316-Q423 HydrophobicContact CH2-CB 4.03Å; W316-Q423 HydrophobicContact CZ2-CB 3.63Å; W316-Q423 VanDerWaalsContact CZ2-O 3.23Å; W316-Q423 WeakPolarHBondContact CZ2-O 3.06Å; W316-Q423 HydrophobicContact CZ3-CB 4.28Å; W316-G424 PolarHBondContact NE1-O 3.15Å; W316-W426 HydrophobicContact CD2-CB 4.44Å; W316-W426 AromaticContact CD2-CD1 3.87Å; W316-W426 HydrophobicContact CG-CB 4.24Å
317	D	91.5	Very high	91.1	Very high	27 Å²	27	84.9 Å²	84.9	14%	0.144	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-85.1	114.7	178.2	-157.5	-13.3	0	0	0	112	D315 R319 N419 Y422 Q423	D315-D317 PolarHBondContact O-N 2.81Å; D317-R319 WeakPolarHBondContact OD1-CB 3.35Å; D317-R319 WeakPolarHBondContact OD1-CG 3.4Å; D317-R319 IonicContact OD1-CZ 2.68Å; D317-R319 PolarHBondContact OD1-N 3.42Å; D317-R319 IonicContact OD1-NE 2.72Å; D317-R319 PolarHBondContact OD1-NE 3.2Å; D317-R319 IonicContact OD1-NH2 2.6Å; D317-R319 IonicContact OD2-CZ 2.66Å; D317-R319 IonicContact OD2-NE 2.86Å; D317-R319 PolarHBondContact OD2-NE 2.76Å; D317-R319 IonicContact OD2-NH2 2.7Å; D317-R319 PolarHBondContact OD2-NH2 3.08Å; D317-N419 PolarHBondContact OD2-ND2 2.63Å; D317-Y422 WeakPolarHBondContact O-CA 3.4Å; D317-Q423 PolarHBondContact O-N 3.38Å
318	E	92.3	Very high	90.9	Very high	64 Å²	64	89.4 Å²	89.4	30%	0.299	48%	0.484	S	S	.	.			trans	-96.5	-4.8	179	-57.3	179.8	123.5	0	0	112.4	K312 A320 Y422 W426	K312-E318 WeakPolarHBondContact CE-OE2 3.21Å; K312-E318 VanDerWaalsContact NZ-CD 3.29Å; K312-E318 IonicContact NZ-OE2 2.72Å; K312-E318 PolarHBondContact NZ-OE2 2.97Å; E318-A320 PolarHBondContact O-N 2.92Å; E318-Y422 WeakPolarHBondContact O-CE2 3.31Å; E318-W426 VanDerWaalsContact OE1-CB 3.32Å; E318-W426 WeakPolarHBondContact OE1-CB 3.33Å; E318-W426 PolarHBondContact OE1-N 3.49Å
319	R	90.3	Very high	90.8	Very high	152 Å²	152	87.5 Å²	87.5	57%	0.574	46%	0.464	S	S	*	.			trans	-75.7	99.4	-179.4	-59.6	170.3	-62.1	168.1	7.4	108.3	D317 K321 I322 N419	D317-R319 WeakPolarHBondContact OD1-CB 3.35Å; D317-R319 WeakPolarHBondContact OD1-CG 3.4Å; D317-R319 IonicContact OD1-CZ 2.68Å; D317-R319 PolarHBondContact OD1-N 3.42Å; D317-R319 IonicContact OD1-NE 2.72Å; D317-R319 PolarHBondContact OD1-NE 3.2Å; D317-R319 IonicContact OD1-NH2 2.6Å; D317-R319 IonicContact OD2-CZ 2.66Å; D317-R319 IonicContact OD2-NE 2.86Å; D317-R319 PolarHBondContact OD2-NE 2.76Å; D317-R319 IonicContact OD2-NH2 2.7Å; D317-R319 PolarHBondContact OD2-NH2 3.08Å; R319-K321 PolarHBondContact O-N 3.3Å; R319-K321 VanDerWaalsContact O-N 3.16Å; R319-I322 HydrophobicContact CB-CG2 4.31Å; R319-N419 WeakPolarHBondContact O-CB 3.46Å; R319-N419 PolarHBondContact O-ND2 3.01Å
320	A	91.8	Very high	90.7	Very high	48 Å²	48	83.5 Å²	83.5	40%	0.397	45%	0.446	S	S	.	.	S	Bend	trans	-55.7	-31.3	177.8	0	0	0	0	0	112.5	E318 N419 Y422	E318-A320 PolarHBondContact O-N 2.92Å; A320-N419 PolarHBondContact O-N 3.33Å; A320-Y422 HydrophobicContact CB-CD1 4.27Å; A320-Y422 HydrophobicContact CB-CD2 4.35Å; A320-Y422 HydrophobicContact CB-CE1 4.04Å; A320-Y422 HydrophobicContact CB-CE2 4.13Å; A320-Y422 HydrophobicContact CB-CG 4.41Å
321	K	93	Very high	90.3	Very high	118 Å²	118	90.9 Å²	90.9	51%	0.513	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149	173.7	-59.9	-173.3	-180	-177.8	0	111.7	R319 L416 I417 D418	R319-K321 PolarHBondContact O-N 3.3Å; R319-K321 VanDerWaalsContact O-N 3.16Å; K321-L416 HydrophobicContact CB-CB 4.21Å; K321-L416 HydrophobicContact CD-CB 4.32Å; K321-I417 CarbonylContact C-O 3.6Å; K321-I417 WeakPolarHBondContact CA-O 3.4Å; K321-I417 WeakPolarHBondContact CB-O 3.44Å; K321-D418 WeakPolarHBondContact CE-OD1 3.39Å
322	I	92	Very high	90	Very high	31 Å²	31	92 Å²	92	16%	0.159	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154	174.5	52.5	172.1	0	0	0	109.9	R319 D324 L416 I417 N419	R319-I322 HydrophobicContact CB-CG2 4.31Å; I322-D324 PolarHBondContact O-N 3.42Å; I322-L416 WeakPolarHBondContact O-CA 3.37Å; I322-I417 HydrophobicContact CG1-CG1 4.09Å; I322-I417 PolarHBondContact N-O 2.72Å; I322-I417 PolarHBondContact O-N 3.17Å; I322-N419 HydrophobicContact CD1-CB 4.32Å; I322-N419 HydrophobicContact CG1-CB 4.01Å; I322-N419 HydrophobicContact CG2-CB 4.06Å
323	P	92.3	Very high	89.7	Confident	77 Å²	77	91.1 Å²	91.1	50%	0.5	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	135.5	168.5	-19.3	32	0	0	0	110.6	P325 A414 L416	P323-P325 WeakPolarHBondContact O-CD 3.32Å; P323-A414 HydrophobicContact CB-CB 4.08Å; P323-L416 HydrophobicContact CB-CD2 4.47Å; P323-L416 HydrophobicContact CG-CD2 4.1Å
324	D	91.5	Very high	89.3	Confident	41 Å²	41	92.7 Å²	92.7	22%	0.219	49%	0.485	C	S	.	.			trans	-60.1	117.5	179.7	-177.5	-5	0	0	0	111.3	I322 E326 A327 P415 I417	I322-D324 PolarHBondContact O-N 3.42Å; D324-E326 VanDerWaalsContact C-N 3.3Å; D324-E326 PolarHBondContact O-N 2.88Å; D324-E326 PolarHBondContact OD1-N 2.85Å; D324-A327 HydrophobicContact CB-CB 3.75Å; D324-A327 PolarHBondContact O-N 3.29Å; D324-A327 PolarHBondContact OD1-N 3.35Å; D324-P415 HydrophobicContact CB-CG 3.98Å; D324-P415 WeakPolarHBondContact CB-O 3.5Å; D324-P415 PolarHBondContact N-O 2.87Å; D324-I417 HydrophobicContact CB-CD1 4.31Å; D324-I417 HydrophobicContact CB-CG1 4.33Å; D324-I417 HydrophobicContact CB-CG2 4.01Å
325	P	88.4	Confident	89.1	Confident	109 Å²	109	87.3 Å²	87.3	71%	0.708	45%	0.453	S	S	*	.	S	Bend	trans	-77.1	-12.3	179.9	33.5	-36.5	0	0	0	113.8	P323	P323-P325 WeakPolarHBondContact O-CD 3.32Å
326	E	87.6	Confident	88.8	Confident	177 Å²	177	88.7 Å²	88.7	83%	0.827	46%	0.461	S	S	*	.	S	Bend	trans	-91.5	-15.6	172.2	-59.4	-157.9	137.6	0	0	112.2	D324	D324-E326 VanDerWaalsContact C-N 3.3Å; D324-E326 PolarHBondContact O-N 2.88Å; D324-E326 PolarHBondContact OD1-N 2.85Å
327	A	89.4	Confident	88.5	Confident	28 Å²	28	85.9 Å²	85.9	23%	0.231	45%	0.453	C	S	.	.			trans	-72.2	129.2	174.4	0	0	0	0	0	111.4	D324 W412 A414 P415	D324-A327 HydrophobicContact CB-CB 3.75Å; D324-A327 PolarHBondContact O-N 3.29Å; D324-A327 PolarHBondContact OD1-N 3.35Å; A327-W412 HydrophobicContact CB-CH2 3.94Å; A327-W412 HydrophobicContact CB-CZ2 4.15Å; A327-A414 HydrophobicContact CB-CB 4.23Å; A327-P415 HydrophobicContact CB-CG 4.03Å
328	V	88.7	Confident	88.3	Confident	119 Å²	119	88.1 Å²	88.1	72%	0.721	47%	0.469	S	S	*	.			trans	-121	139.9	176.4	-177.3	0	0	0	0	109	P330	V328-P330 WeakPolarHBondContact O-CD 3.44Å
329	K	88.3	Confident	88.1	Confident	73 Å²	73	87.2 Å²	87.2	32%	0.317	47%	0.472	S	S	.	.			trans	-49.7	123.7	172.5	-179.6	-175	170.7	-172.1	0	110.6	W333 E335 W412	K329-W333 WeakPolarHBondContact CE-O 3.39Å; K329-W333 HydrophobicContact CG-CB 4.3Å; K329-W333 PolarHBondContact NZ-O 3.49Å; K329-E335 WeakPolarHBondContact CD-OE2 3.45Å; K329-E335 VanDerWaalsContact CE-OE2 3.26Å; K329-E335 WeakPolarHBondContact CE-OE2 3.09Å; K329-E335 IonicContact NZ-OE2 3.84Å; K329-E335 PolarHBondContact NZ-OE2 2.79Å; K329-W412 HydrophobicContact CB-CD2 3.81Å; K329-W412 HydrophobicContact CB-CE3 3.76Å; K329-W412 HydrophobicContact CB-CG 4.15Å; K329-W412 HydrophobicContact CB-CZ3 4.27Å; K329-W412 HydrophobicContact CD-CB 4.33Å; K329-W412 HydrophobicContact CG-CB 3.95Å; K329-W412 HydrophobicContact CG-CD2 4.17Å; K329-W412 HydrophobicContact CG-CE3 4.44Å; K329-W412 HydrophobicContact CG-CG 3.94Å
330	P	88.1	Confident	88.1	Confident	54 Å²	54	85.3 Å²	85.3	35%	0.351	47%	0.468	S	S	.	.			trans	-63.1	144.4	176.4	-23.8	34.3	0	0	0	112.9	V328 D332 W333	V328-P330 WeakPolarHBondContact O-CD 3.44Å; P330-D332 PolarHBondContact O-N 3.49Å; P330-D332 VanDerWaalsContact O-N 3.09Å; P330-W333 HydrophobicContact CB-CB 4.47Å; P330-W333 WeakPolarHBondContact O-CB 3.25Å; P330-W333 PolarHBondContact O-N 3.09Å
331	D	84.4	Confident	87.9	Confident	184 Å²	184	85.9 Å²	85.9	98%	0.984	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.5	173.8	-64.1	-47	0	0	0	113.3	W333	D331-W333 VanDerWaalsContact C-N 3.35Å
332	D	83.6	Confident	87.8	Confident	114 Å²	114	86.1 Å²	86.1	61%	0.61	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.2	178	103.1	-40.4	0	0	0	113.5	P330 K409	P330-D332 PolarHBondContact O-N 3.49Å; P330-D332 VanDerWaalsContact O-N 3.09Å; D332-K409 PolarHBondContact O-NZ 2.77Å; D332-K409 IonicContact OD1-NZ 3.79Å; D332-K409 PolarHBondContact OD1-NZ 2.94Å; D332-K409 IonicContact OD2-NZ 3.33Å; D332-K409 PolarHBondContact OD2-NZ 3.5Å
333	W	85.8	Confident	87.6	Confident	67 Å²	67	86.2 Å²	86.2	25%	0.254	47%	0.467	S	S	.	.			trans	-101.7	91.4	-174.8	-162.2	-61.6	0	0	0	111.1	K329 P330 D331 K409 G410 W412	K329-W333 WeakPolarHBondContact CE-O 3.39Å; K329-W333 HydrophobicContact CG-CB 4.3Å; K329-W333 PolarHBondContact NZ-O 3.49Å; P330-W333 HydrophobicContact CB-CB 4.47Å; P330-W333 WeakPolarHBondContact O-CB 3.25Å; P330-W333 PolarHBondContact O-N 3.09Å; D331-W333 VanDerWaalsContact C-N 3.35Å; W333-K409 HydrophobicContact CD2-CB 3.86Å; W333-K409 HydrophobicContact CD2-CD 3.73Å; W333-K409 HydrophobicContact CD2-CG 4.46Å; W333-K409 VanDerWaalsContact CE2-CB 3.45Å; W333-K409 HydrophobicContact CE3-CB 4.3Å; W333-K409 HydrophobicContact CE3-CD 3.7Å; W333-K409 HydrophobicContact CG-CB 4.38Å; W333-K409 HydrophobicContact CG-CD 4.09Å; W333-K409 HydrophobicContact CH2-CB 4.08Å; W333-K409 HydrophobicContact CZ2-CB 3.61Å; W333-K409 WeakPolarHBondContact CZ2-O 3.39Å; W333-K409 HydrophobicContact CZ3-CB 4.39Å; W333-K409 HydrophobicContact CZ3-CD 4.18Å; W333-G410 PolarHBondContact NE1-O 2.83Å; W333-W412 HydrophobicContact CD2-CB 4.19Å; W333-W412 AromaticContact CD2-CD1 3.71Å; W333-W412 HydrophobicContact CD2-CG 4.34Å; W333-W412 AromaticContact CE2-CD1 3.94Å; W333-W412 AromaticContact CE3-CD1 3.76Å; W333-W412 HydrophobicContact CG-CB 4.19Å; W333-W412 HydrophobicContact CZ2-CB 4.43Å
334	D	84.9	Confident	87.2	Confident	84 Å²	84	86.9 Å²	86.9	45%	0.449	47%	0.472	S	S	.	.			trans	-75.1	128.4	170.7	-164.2	-13.2	0	0	0	110.3	D336 A337	D334-D336 PolarHBondContact OD1-N 3.24Å; D334-A337 HydrophobicContact CB-CB 3.92Å; D334-A337 PolarHBondContact OD1-N 2.62Å; D334-A337 VanDerWaalsContact OD1-N 3.11Å
335	E	84.8	Confident	86.9	Confident	70 Å²	70	91.8 Å²	91.8	33%	0.327	50%	0.498	S	S	.	.	S	Bend	trans	-107	-16.5	176.8	-68	179.9	117.2	0	0	112.4	K329 K411 W412	K329-E335 WeakPolarHBondContact CD-OE2 3.45Å; K329-E335 VanDerWaalsContact CE-OE2 3.26Å; K329-E335 WeakPolarHBondContact CE-OE2 3.09Å; K329-E335 IonicContact NZ-OE2 3.84Å; K329-E335 PolarHBondContact NZ-OE2 2.79Å; E335-K411 WeakPolarHBondContact OE1-CA 3.34Å; E335-W412 PolarHBondContact OE1-N 2.71Å
336	D	84.4	Confident	86.7	Confident	155 Å²	155	87.3 Å²	87.3	83%	0.829	47%	0.47	S	S	*	.	S	Bend	trans	-89.9	-11.2	175.7	-64.7	-58	0	0	0	111.1	D334	D334-D336 PolarHBondContact OD1-N 3.24Å
337	A	85.7	Confident	86.6	Confident	12 Å²	12	85.9 Å²	85.9	10%	0.099	47%	0.467	C	S	.	.	S	Bend	trans	-54.3	126.9	168.8	0	0	0	0	0	111	D334 Y408	D334-A337 HydrophobicContact CB-CB 3.92Å; D334-A337 PolarHBondContact OD1-N 2.62Å; D334-A337 VanDerWaalsContact OD1-N 3.11Å; A337-Y408 WeakPolarHBondContact O-CD2 3.42Å; A337-Y408 WeakPolarHBondContact O-CE2 3.17Å
338	P	87	Confident	86.4	Confident	74 Å²	74	88.2 Å²	88.2	48%	0.481	47%	0.473	S	S	.	.			trans	-74.3	144.2	178.4	31	-35.5	0	0	0	110.9	K340 I341 N405	P338-K340 PolarHBondContact O-N 2.87Å; P338-I341 HydrophobicContact CG-CG2 3.94Å; P338-N405 WeakPolarHBondContact O-CB 3.33Å; P338-N405 PolarHBondContact O-ND2 2.97Å
339	A	87.4	Confident	86.3	Confident	44 Å²	44	85.3 Å²	85.3	36%	0.364	46%	0.456	S	S	.	.	S	Bend	trans	-62.1	-29.2	179.2	0	0	0	0	0	113.6	N405 Y408	A339-N405 PolarHBondContact O-N 3.49Å; A339-Y408 HydrophobicContact CB-CD1 3.74Å; A339-Y408 HydrophobicContact CB-CD2 4.27Å; A339-Y408 HydrophobicContact CB-CE1 3.6Å; A339-Y408 HydrophobicContact CB-CE2 4.15Å; A339-Y408 HydrophobicContact CB-CG 4.06Å
340	K	90.6	Very high	85.9	Confident	113 Å²	113	91 Å²	91	49%	0.491	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.2	175	-57.9	-174.7	179.6	-178.7	0	110.4	P338 M402 I403 N404	P338-K340 PolarHBondContact O-N 2.87Å; K340-M402 HydrophobicContact CB-CB 4.11Å; K340-M402 HydrophobicContact CB-CE 3.98Å; K340-M402 HydrophobicContact CD-CB 4.32Å; K340-M402 WeakPolarHBondContact O-CE 3.46Å; K340-I403 CarbonylContact C-O 3.57Å; K340-I403 WeakPolarHBondContact CA-O 3.29Å; K340-N404 WeakPolarHBondContact CE-OD1 3.18Å
341	I	88.7	Confident	85.5	Confident	59 Å²	59	91 Å²	91	30%	0.303	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.1	176.3	53.2	177.4	0	0	0	109.5	P338 D343 M402 I403 N405	P338-I341 HydrophobicContact CG-CG2 3.94Å; I341-D343 PolarHBondContact O-N 2.72Å; I341-M402 CarbonylContact O-C 3.52Å; I341-M402 WeakPolarHBondContact O-CA 3.46Å; I341-I403 HydrophobicContact CG1-CG1 4Å; I341-I403 PolarHBondContact N-O 2.77Å; I341-I403 WeakPolarHBondContact O-CG1 3.37Å; I341-I403 PolarHBondContact O-N 2.76Å; I341-N405 HydrophobicContact CD1-CB 4.36Å; I341-N405 HydrophobicContact CG1-CB 4.22Å; I341-N405 HydrophobicContact CG2-CB 4.09Å
342	E	89.3	Confident	85.6	Confident	123 Å²	123	85 Å²	85	58%	0.575	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	131.8	171.3	-69.4	-178.7	-168.3	0	0	110.1	P344 R400 M402	E342-P344 WeakPolarHBondContact O-CD 3.47Å; E342-R400 HydrophobicContact CB-CB 3.83Å; E342-R400 HydrophobicContact CG-CB 3.99Å; E342-R400 WeakPolarHBondContact OE2-CD 3.18Å; E342-M402 HydrophobicContact CB-SD 4.32Å; E342-M402 HydrophobicContact CG-SD 3.65Å
343	D	88.1	Confident	85.7	Confident	33 Å²	33	82.6 Å²	82.6	18%	0.176	44%	0.443	C	S	.	.			trans	-63.5	120.8	175.3	-174.5	-21.9	0	0	0	110.2	I341 D345 A346 R400 P401 I403	I341-D343 PolarHBondContact O-N 2.72Å; D343-D345 WeakPolarHBondContact OD1-CA 3.36Å; D343-D345 PolarHBondContact OD1-N 3.37Å; D343-A346 HydrophobicContact CB-CB 3.66Å; D343-A346 PolarHBondContact OD1-N 2.82Å; D343-R400 PolarHBondContact O-NH1 3.35Å; D343-P401 HydrophobicContact CB-CG 4Å; D343-P401 WeakPolarHBondContact CB-O 3.18Å; D343-P401 PolarHBondContact N-O 3.24Å; D343-I403 HydrophobicContact CB-CD1 4.16Å; D343-I403 HydrophobicContact CB-CG1 4.16Å; D343-I403 HydrophobicContact CB-CG2 3.95Å
344	P	84	Confident	85.5	Confident	91 Å²	91	83 Å²	83	59%	0.591	45%	0.45	S	S	*	.	S	Bend	trans	-77.4	-27.8	178.5	32.3	-35.4	0	0	0	113.3	E342 R400	E342-P344 WeakPolarHBondContact O-CD 3.47Å; P344-R400 PolarHBondContact O-NH1 2.89Å
345	D	84.8	Confident	85.4	Confident	144 Å²	144	86.8 Å²	86.8	77%	0.77	47%	0.471	S	S	*	.	S	Bend	trans	-88.2	-19.7	-177.4	-70.8	-40	0	0	0	111.8	D343 L347	D343-D345 WeakPolarHBondContact OD1-CA 3.36Å; D343-D345 PolarHBondContact OD1-N 3.37Å; D345-L347 PolarHBondContact O-N 3.08Å
346	A	85.3	Confident	85.3	Confident	15 Å²	15	87.4 Å²	87.4	12%	0.124	47%	0.473	C	S	.	.			trans	-56	124.4	169.6	0	0	0	0	0	111.6	D343 R400 P401	D343-A346 HydrophobicContact CB-CB 3.66Å; D343-A346 PolarHBondContact OD1-N 2.82Å; A346-R400 PolarHBondContact O-NH1 2.9Å; A346-P401 HydrophobicContact CB-CG 3.64Å
347	L	85.9	Confident	85.3	Confident	147 Å²	147	83.2 Å²	83.2	77%	0.77	46%	0.455	S	S	*	.			trans	-109.5	141.2	171.1	-63.5	178.8	0	0	0	109.4	D345	D345-L347 PolarHBondContact O-N 3.08Å
348	K	84.1	Confident	85.2	Confident	78 Å²	78	88.3 Å²	88.3	34%	0.339	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-63.1	131.9	176.5	-179.5	174.2	168.7	-176.4	0	110.7	W352 D354 W398	K348-W352 HydrophobicContact CG-CB 4.35Å; K348-D354 IonicContact NZ-OD1 2.68Å; K348-D354 PolarHBondContact NZ-OD1 2.68Å; K348-D354 IonicContact NZ-OD2 2.76Å; K348-D354 PolarHBondContact NZ-OD2 3Å; K348-W398 HydrophobicContact CB-CD2 3.67Å; K348-W398 HydrophobicContact CB-CE3 3.8Å; K348-W398 HydrophobicContact CB-CG 4.23Å; K348-W398 HydrophobicContact CB-CH2 4.06Å; K348-W398 HydrophobicContact CB-CZ2 3.97Å; K348-W398 HydrophobicContact CB-CZ3 3.99Å; K348-W398 HydrophobicContact CD-CB 3.77Å; K348-W398 HydrophobicContact CD-CD2 3.93Å; K348-W398 HydrophobicContact CD-CE3 4.09Å; K348-W398 HydrophobicContact CD-CG 3.8Å; K348-W398 HydrophobicContact CG-CB 4.18Å; K348-W398 HydrophobicContact CG-CD2 3.7Å; K348-W398 HydrophobicContact CG-CE3 4.16Å; K348-W398 HydrophobicContact CG-CG 3.69Å
349	P	86.3	Confident	85.2	Confident	57 Å²	57	89.5 Å²	89.5	37%	0.37	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-58.8	140.8	177.1	-25.9	35.2	0	0	0	113.4	G351 W352 P393	P349-G351 PolarHBondContact O-N 3.38Å; P349-W352 HydrophobicContact CG-CE3 4.27Å; P349-P393 HydrophobicContact CB-CB 3.84Å; P349-P393 HydrophobicContact CB-CG 4.43Å
350	E	80.3	Confident	85.2	Confident	194 Å²	194	89.5 Å²	89.5	91%	0.907	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	123.4	169.4	-65.5	-171.2	173	0	0	109.7
351	G	81	Confident	85.2	Confident	52 Å²	52	87.3 Å²	87.3	54%	0.536	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.7	-0.6	-179.1	0	0	0	0	0	116	P349 P393	P349-G351 PolarHBondContact O-N 3.38Å; G351-P393 WeakPolarHBondContact O-CD 2.85Å
352	W	85.9	Confident	85.2	Confident	60 Å²	60	86.9 Å²	86.9	23%	0.227	47%	0.467	C	S	.	.			trans	-60.1	137.1	171.6	-171.4	-73.4	0	0	0	112.1	K348 P349 P393 C395 G396 W398	K348-W352 HydrophobicContact CG-CB 4.35Å; P349-W352 HydrophobicContact CG-CE3 4.27Å; W352-P393 WeakPolarHBondContact CZ3-O 3.43Å; W352-C395 VanDerWaalsContact CZ2-O 3.23Å; W352-C395 WeakPolarHBondContact CZ2-O 3.04Å; W352-G396 PolarHBondContact NE1-O 2.84Å; W352-W398 HydrophobicContact CD2-CB 4.24Å; W352-W398 AromaticContact CD2-CD1 3.78Å; W352-W398 HydrophobicContact CD2-CG 4.36Å; W352-W398 AromaticContact CE2-CD1 3.8Å; W352-W398 AromaticContact CE3-CD1 3.73Å; W352-W398 HydrophobicContact CG-CB 4.43Å; W352-W398 AromaticContact CH2-CD1 3.8Å; W352-W398 HydrophobicContact CZ2-CB 4.24Å; W352-W398 AromaticContact CZ2-CD1 3.83Å; W352-W398 HydrophobicContact CZ2-CG 4.47Å; W352-W398 AromaticContact CZ3-CD1 3.74Å
353	L	85.6	Confident	84.9	Confident	62 Å²	62	87.2 Å²	87.2	33%	0.325	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-101.5	92.8	-175.1	-58.1	177.7	0	0	0	111.7	E356 A392 G394 C395 G396	L353-E356 HydrophobicContact CB-CB 4.12Å; L353-E356 HydrophobicContact CB-CG 4.48Å; L353-E356 HydrophobicContact CD1-CG 4.47Å; L353-A392 HydrophobicContact CD1-CB 3.76Å; L353-A392 HydrophobicContact CG-CB 3.94Å; L353-G394 PolarHBondContact N-O 3.44Å; L353-C395 CarbonylContact O-C 3.51Å; L353-C395 VanDerWaalsContact O-CA 3.32Å; L353-C395 WeakPolarHBondContact O-CA 3.32Å; L353-G396 PolarHBondContact O-N 3.33Å
354	D	81.6	Confident	84.7	Confident	75 Å²	75	92.3 Å²	92.3	40%	0.401	51%	0.507	S	S	.	.	S	Bend	trans	-68	-37.8	-179	-59.7	-79.1	0	0	0	114.1	K348 E356	K348-D354 IonicContact NZ-OD1 2.68Å; K348-D354 PolarHBondContact NZ-OD1 2.68Å; K348-D354 IonicContact NZ-OD2 2.76Å; K348-D354 PolarHBondContact NZ-OD2 3Å; D354-E356 VanDerWaalsContact C-N 3.31Å; D354-E356 PolarHBondContact O-N 2.93Å
355	D	82.6	Confident	84.9	Confident	164 Å²	164	89.4 Å²	89.4	88%	0.877	49%	0.491	S	S	*	.	S	Bend	trans	-79.4	-13.8	-172.7	-61.7	-59.9	0	0	0	113.1
356	E	82.1	Confident	85	Confident	83 Å²	83	90.9 Å²	90.9	39%	0.388	49%	0.493	S	S	.	.	S	Bend	trans	-99.7	127.5	177.7	-74.6	-68.1	145.7	0	0	109.8	L353 D354 N386 G396	L353-E356 HydrophobicContact CB-CB 4.12Å; L353-E356 HydrophobicContact CB-CG 4.48Å; L353-E356 HydrophobicContact CD1-CG 4.47Å; D354-E356 VanDerWaalsContact C-N 3.31Å; D354-E356 PolarHBondContact O-N 2.93Å; E356-N386 PolarHBondContact OE2-ND2 2.87Å; E356-G396 WeakPolarHBondContact O-CA 3.15Å; E356-G396 PolarHBondContact O-N 2.76Å
357	P	84.6	Confident	85	Confident	68 Å²	68	94 Å²	94	44%	0.442	50%	0.504	S	S	.	.			trans	-71.9	146.7	176.7	32.7	-35.9	0	0	0	110.8	F359 V360 N386	P357-F359 VanDerWaalsContact C-N 3.25Å; P357-F359 WeakPolarHBondContact CB-O 3.46Å; P357-F359 WeakPolarHBondContact CG-O 3.3Å; P357-F359 PolarHBondContact O-N 2.93Å; P357-V360 HydrophobicContact CG-CG1 3.92Å; P357-N386 VanDerWaalsContact O-CB 3.25Å; P357-N386 WeakPolarHBondContact O-CB 3.48Å; P357-N386 PolarHBondContact O-ND2 2.87Å
358	E	83.4	Confident	85.2	Confident	118 Å²	118	90.3 Å²	90.3	55%	0.551	49%	0.489	S	S	*	.	S	Bend	trans	-60.6	-35.3	177.8	-174.1	176.6	-154.1	0	0	112.4	N386 C395	E358-N386 PolarHBondContact O-N 2.82Å; E358-C395 HydrophobicContact CB-CB 4.39Å
359	F	87.6	Confident	85.3	Confident	99 Å²	99	96.6 Å²	96.6	43%	0.434	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.8	174.8	-55.3	-91.8	0	0	0	111	P357 Q383 V384 P385	P357-F359 VanDerWaalsContact C-N 3.25Å; P357-F359 WeakPolarHBondContact CB-O 3.46Å; P357-F359 WeakPolarHBondContact CG-O 3.3Å; P357-F359 PolarHBondContact O-N 2.93Å; F359-Q383 HydrophobicContact CB-CB 4.04Å; F359-V384 CarbonylContact C-O 3.59Å; F359-V384 VanDerWaalsContact CA-O 3.25Å; F359-V384 WeakPolarHBondContact CA-O 3.09Å; F359-P385 HydrophobicContact CD1-CG 4.43Å; F359-P385 HydrophobicContact CE1-CG 4.28Å
360	V	87.7	Confident	85.5	Confident	44 Å²	44	101.4 Å²	101.4	27%	0.267	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.2	173.3	-70.3	0	0	0	0	109.7	P357 D362 Q383 V384 N386	P357-V360 HydrophobicContact CG-CG1 3.92Å; V360-D362 PolarHBondContact O-N 3.5Å; V360-Q383 WeakPolarHBondContact O-CA 3.33Å; V360-V384 HydrophobicContact CG2-CG2 4.21Å; V360-V384 PolarHBondContact N-O 2.97Å; V360-V384 WeakPolarHBondContact O-CG2 3.08Å; V360-V384 PolarHBondContact O-N 2.88Å; V360-N386 HydrophobicContact CG1-CB 4.09Å; V360-N386 HydrophobicContact CG2-CB 4.28Å
361	S	89.5	Confident	85.9	Confident	68 Å²	68	96.3 Å²	96.3	48%	0.476	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	130.6	169.5	-61.4	0	0	0	0	111.2	P363 Q383	S361-P363 WeakPolarHBondContact O-CD 3.42Å; S361-Q383 PolarHBondContact OG-NE2 3.37Å
362	D	88.5	Confident	86.3	Confident	49 Å²	49	97.5 Å²	97.5	26%	0.262	51%	0.509	S	S	.	.			trans	-59.5	116.8	176.6	-176.5	-8.1	0	0	0	110.9	V360 N364 A365 P382 V384	V360-D362 PolarHBondContact O-N 3.5Å; D362-N364 PolarHBondContact O-N 3.05Å; D362-N364 WeakPolarHBondContact OD1-CA 3.32Å; D362-N364 WeakPolarHBondContact OD1-CB 3.34Å; D362-N364 PolarHBondContact OD1-N 2.75Å; D362-A365 HydrophobicContact CB-CB 3.92Å; D362-A365 PolarHBondContact O-N 2.96Å; D362-P382 PolarHBondContact N-O 2.96Å; D362-V384 HydrophobicContact CB-CG1 3.97Å; D362-V384 HydrophobicContact CB-CG2 4.08Å
363	P	84.4	Confident	86.4	Confident	131 Å²	131	100.4 Å²	100.4	85%	0.851	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-7.1	179.8	32.4	-37.3	0	0	0	113.8	S361	S361-P363 WeakPolarHBondContact O-CD 3.42Å
364	N	83.8	Confident	86.5	Confident	140 Å²	140	106.4 Å²	106.4	75%	0.749	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-0.6	177.6	-168.1	86.1	0	0	0	112.5	D362	D362-N364 PolarHBondContact O-N 3.05Å; D362-N364 WeakPolarHBondContact OD1-CA 3.32Å; D362-N364 WeakPolarHBondContact OD1-CB 3.34Å; D362-N364 PolarHBondContact OD1-N 2.75Å
365	A	87.3	Confident	86.9	Confident	29 Å²	29	109.1 Å²	109.1	24%	0.24	56%	0.563	C	S	.	*			trans	-78.1	124.2	171.9	0	0	0	0	0	110.8	D362 W379 A381 P382	D362-A365 HydrophobicContact CB-CB 3.92Å; D362-A365 PolarHBondContact O-N 2.96Å; A365-W379 HydrophobicContact CB-CH2 4.13Å; A365-W379 HydrophobicContact CB-CZ2 4.31Å; A365-W379 WeakPolarHBondContact O-CH2 3.39Å; A365-A381 HydrophobicContact CB-CB 4.32Å; A365-P382 HydrophobicContact CB-CG 4.42Å
366	E	86.8	Confident	87	Confident	176 Å²	176	106 Å²	106	82%	0.822	55%	0.546	S	S	*	.			trans	-104.1	147.4	171.4	-63.4	-168.7	150.1	0	0	110.6
367	K	86.4	Confident	87.3	Confident	79 Å²	79	103.3 Å²	103.3	34%	0.343	54%	0.541	S	S	.	.			trans	-65.6	127.3	176.1	-178.8	-175.2	173.1	-166.8	0	109.9	W371 E373 W379	K367-W371 VanDerWaalsContact CE-O 3.23Å; K367-W371 WeakPolarHBondContact CE-O 3.49Å; K367-W371 HydrophobicContact CG-CB 4.29Å; K367-W371 PolarHBondContact NZ-O 2.8Å; K367-E373 IonicContact NZ-OE1 3.76Å; K367-E373 PolarHBondContact NZ-OE1 3.45Å; K367-W379 HydrophobicContact CB-CD2 3.77Å; K367-W379 HydrophobicContact CB-CE3 3.88Å; K367-W379 HydrophobicContact CB-CG 4.17Å; K367-W379 HydrophobicContact CB-CZ2 4.47Å; K367-W379 HydrophobicContact CB-CZ3 4.28Å; K367-W379 HydrophobicContact CD-CB 4.03Å; K367-W379 HydrophobicContact CD-CG 4.27Å; K367-W379 HydrophobicContact CG-CB 4.04Å; K367-W379 HydrophobicContact CG-CD2 3.91Å; K367-W379 HydrophobicContact CG-CE3 4.38Å; K367-W379 HydrophobicContact CG-CG 3.73Å
368	P	90.5	Very high	87.5	Confident	70 Å²	70	108.7 Å²	108.7	46%	0.455	56%	0.56	S	S	.	*			trans	-58.9	141.6	175.5	-24.4	34.3	0	0	0	113	D370 W371	P368-D370 PolarHBondContact O-N 2.84Å; P368-W371 HydrophobicContact CB-CB 4.42Å; P368-W371 WeakPolarHBondContact O-CB 3.33Å; P368-W371 PolarHBondContact O-N 3.03Å
369	E	86.4	Confident	87.7	Confident	210 Å²	210	106.5 Å²	106.5	98%	0.981	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.7	-178.7	-62.9	-166.8	147.1	0	0	113.8
370	D	89.7	Confident	87.7	Confident	158 Å²	158	109.9 Å²	109.9	85%	0.845	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	6.4	-179.5	-156.3	41.2	0	0	0	113.3	P368	P368-D370 PolarHBondContact O-N 2.84Å
371	W	87.9	Confident	87.7	Confident	87 Å²	87	108.6 Å²	108.6	33%	0.33	56%	0.558	S	S	.	*			trans	-86.2	112.3	-178.4	-175.7	-63	0	0	0	112.6	K367 P368 D376 G377 W379	K367-W371 VanDerWaalsContact CE-O 3.23Å; K367-W371 WeakPolarHBondContact CE-O 3.49Å; K367-W371 HydrophobicContact CG-CB 4.29Å; K367-W371 PolarHBondContact NZ-O 2.8Å; P368-W371 HydrophobicContact CB-CB 4.42Å; P368-W371 WeakPolarHBondContact O-CB 3.33Å; P368-W371 PolarHBondContact O-N 3.03Å; W371-D376 HydrophobicContact CD2-CB 4.33Å; W371-D376 HydrophobicContact CZ2-CB 4.11Å; W371-G377 PolarHBondContact NE1-O 3.5Å; W371-W379 HydrophobicContact CD2-CB 4.39Å; W371-W379 AromaticContact CD2-CD1 3.66Å; W371-W379 HydrophobicContact CD2-CG 4.41Å; W371-W379 AromaticContact CE2-CD1 3.85Å; W371-W379 AromaticContact CE3-CD1 3.75Å; W371-W379 HydrophobicContact CG-CB 4.46Å; W371-W379 HydrophobicContact CZ2-CB 4.47Å
372	D	89.6	Confident	87.8	Confident	78 Å²	78	108.9 Å²	108.9	42%	0.417	56%	0.558	S	S	.	*			trans	-97.3	117.9	-176.7	-176.7	-46	0	0	0	111.2	E374 M375 D376	D372-E374 VanDerWaalsContact C-N 3.29Å; D372-E374 PolarHBondContact O-N 2.93Å; D372-E374 WeakPolarHBondContact OD1-CA 3.3Å; D372-E374 WeakPolarHBondContact OD1-CB 3.29Å; D372-E374 PolarHBondContact OD1-N 2.82Å; D372-M375 HydrophobicContact CB-CB 4.06Å; D372-M375 HydrophobicContact CB-CG 4.45Å; D372-M375 PolarHBondContact O-N 2.85Å; D372-M375 PolarHBondContact OD1-N 3.1Å; D372-D376 PolarHBondContact N-OD2 3.49Å; D372-D376 WeakPolarHBondContact O-CB 3.49Å; D372-D376 PolarHBondContact O-N 2.77Å
373	E	88.3	Confident	87.9	Confident	121 Å²	121	111.6 Å²	111.6	57%	0.565	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-17	-177	-76.6	160.3	-147.4	0	0	114.4	K367 G377	K367-E373 IonicContact NZ-OE1 3.76Å; K367-E373 PolarHBondContact NZ-OE1 3.45Å; E373-G377 WeakPolarHBondContact CA-O 3.33Å
374	E	87.4	Confident	88.1	Confident	187 Å²	187	107.7 Å²	107.7	87%	0.874	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-26.6	174	-169.6	176.4	159.9	0	0	111.7	D372	D372-E374 VanDerWaalsContact C-N 3.29Å; D372-E374 PolarHBondContact O-N 2.93Å; D372-E374 WeakPolarHBondContact OD1-CA 3.3Å; D372-E374 WeakPolarHBondContact OD1-CB 3.29Å; D372-E374 PolarHBondContact OD1-N 2.82Å
375	M	89.6	Confident	88.3	Confident	132 Å²	132	105 Å²	105	65%	0.65	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-41.9	-176.5	-70.3	-69.8	-57.3	0	0	114.2	D372	D372-M375 HydrophobicContact CB-CB 4.06Å; D372-M375 HydrophobicContact CB-CG 4.45Å; D372-M375 PolarHBondContact O-N 2.85Å; D372-M375 PolarHBondContact OD1-N 3.1Å
376	D	85.3	Confident	88.1	Confident	99 Å²	99	104 Å²	104	53%	0.529	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-19.5	-172.9	-52.7	-51.8	0	0	0	112.7	W371 D372	W371-D376 HydrophobicContact CD2-CB 4.33Å; W371-D376 HydrophobicContact CZ2-CB 4.11Å; D372-D376 PolarHBondContact N-OD2 3.49Å; D372-D376 WeakPolarHBondContact O-CB 3.49Å; D372-D376 PolarHBondContact O-N 2.77Å
377	G	88.4	Confident	88	Confident	27 Å²	27	99.5 Å²	99.5	28%	0.278	51%	0.51	S	S	.	.			trans	101.3	-176.2	174.7	0	0	0	0	0	114.8	W371 E373 W379	W371-G377 PolarHBondContact NE1-O 3.5Å; E373-G377 WeakPolarHBondContact CA-O 3.33Å; G377-W379 PolarHBondContact O-N 2.93Å
378	E	89.1	Confident	87.7	Confident	181 Å²	181	98 Å²	98	85%	0.846	51%	0.509	S	S	*	.	S	Bend	trans	-62.3	128.2	175.3	-67.6	-176.1	-162.9	0	0	109.9	E380	E378-E380 PolarHBondContact O-N 2.82Å
379	W	87.8	Confident	87.3	Confident	72 Å²	72	95.7 Å²	95.7	27%	0.273	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-79.4	118	-177.9	179.5	81.8	0	0	0	111	A365 K367 W371 G377 A381	A365-W379 HydrophobicContact CB-CH2 4.13Å; A365-W379 HydrophobicContact CB-CZ2 4.31Å; A365-W379 WeakPolarHBondContact O-CH2 3.39Å; K367-W379 HydrophobicContact CB-CD2 3.77Å; K367-W379 HydrophobicContact CB-CE3 3.88Å; K367-W379 HydrophobicContact CB-CG 4.17Å; K367-W379 HydrophobicContact CB-CZ2 4.47Å; K367-W379 HydrophobicContact CB-CZ3 4.28Å; K367-W379 HydrophobicContact CD-CB 4.03Å; K367-W379 HydrophobicContact CD-CG 4.27Å; K367-W379 HydrophobicContact CG-CB 4.04Å; K367-W379 HydrophobicContact CG-CD2 3.91Å; K367-W379 HydrophobicContact CG-CE3 4.38Å; K367-W379 HydrophobicContact CG-CG 3.73Å; W371-W379 HydrophobicContact CD2-CB 4.39Å; W371-W379 AromaticContact CD2-CD1 3.66Å; W371-W379 HydrophobicContact CD2-CG 4.41Å; W371-W379 AromaticContact CE2-CD1 3.85Å; W371-W379 AromaticContact CE3-CD1 3.75Å; W371-W379 HydrophobicContact CG-CB 4.46Å; W371-W379 HydrophobicContact CZ2-CB 4.47Å; G377-W379 PolarHBondContact O-N 2.93Å; W379-A381 HydrophobicContact CH2-CB 3.63Å; W379-A381 HydrophobicContact CZ2-CB 4.28Å; W379-A381 HydrophobicContact CZ3-CB 3.91Å
380	E	86.8	Confident	86.9	Confident	169 Å²	169	93.4 Å²	93.4	79%	0.79	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-101.4	133.7	170.5	-64.6	-171.1	158.6	0	0	110.4	E378	E378-E380 PolarHBondContact O-N 2.82Å
381	A	89	Confident	86.4	Confident	17 Å²	17	91.8 Å²	91.8	14%	0.14	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-68.9	141.7	177.5	0	0	0	0	0	111.5	A365 W379 Q383	A365-A381 HydrophobicContact CB-CB 4.32Å; W379-A381 HydrophobicContact CH2-CB 3.63Å; W379-A381 HydrophobicContact CZ2-CB 4.28Å; W379-A381 HydrophobicContact CZ3-CB 3.91Å; A381-Q383 PolarHBondContact O-N 2.99Å; A381-Q383 PolarHBondContact O-NE2 2.97Å
382	P	90.3	Very high	86	Confident	74 Å²	74	88.9 Å²	88.9	48%	0.481	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-49.5	139.1	176.1	-28.8	35.7	0	0	0	113	D362 A365	D362-P382 PolarHBondContact N-O 2.96Å; A365-P382 HydrophobicContact CB-CG 4.42Å
383	Q	90.9	Very high	85.7	Confident	107 Å²	107	88.7 Å²	88.7	50%	0.5	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.5	178.4	-63.3	-57.3	-68.2	0	0	109.7	F359 V360 S361 A381	F359-Q383 HydrophobicContact CB-CB 4.04Å; V360-Q383 WeakPolarHBondContact O-CA 3.33Å; S361-Q383 PolarHBondContact OG-NE2 3.37Å; A381-Q383 PolarHBondContact O-N 2.99Å; A381-Q383 PolarHBondContact O-NE2 2.97Å
384	V	88.1	Confident	85.4	Confident	48 Å²	48	83.7 Å²	83.7	29%	0.291	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151.1	177.1	-67.3	0	0	0	0	110.4	F359 V360 D362 N386	F359-V384 CarbonylContact C-O 3.59Å; F359-V384 VanDerWaalsContact CA-O 3.25Å; F359-V384 WeakPolarHBondContact CA-O 3.09Å; V360-V384 HydrophobicContact CG2-CG2 4.21Å; V360-V384 PolarHBondContact N-O 2.97Å; V360-V384 WeakPolarHBondContact O-CG2 3.08Å; V360-V384 PolarHBondContact O-N 2.88Å; D362-V384 HydrophobicContact CB-CG1 3.97Å; D362-V384 HydrophobicContact CB-CG2 4.08Å; V384-N386 PolarHBondContact O-N 3.48Å
385	P	87.9	Confident	85.2	Confident	84 Å²	84	75.1 Å²	75.1	55%	0.545	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	134.6	175.3	-25.1	35	0	0	0	111.5	F359 P387	F359-P385 HydrophobicContact CD1-CG 4.43Å; F359-P385 HydrophobicContact CE1-CG 4.28Å; P385-P387 WeakPolarHBondContact O-CD 3.33Å
386	N	84.1	Confident	84.9	Confident	8 Å²	8	69.5 Å²	69.5	4%	0.043	40%	0.395	C	S	.	.			trans	-69.6	120.6	178.2	176.5	-8.7	0	0	0	109.6	E356 P357 E358 V360 V384 S388 C389	E356-N386 PolarHBondContact OE2-ND2 2.87Å; P357-N386 VanDerWaalsContact O-CB 3.25Å; P357-N386 WeakPolarHBondContact O-CB 3.48Å; P357-N386 PolarHBondContact O-ND2 2.87Å; E358-N386 PolarHBondContact O-N 2.82Å; V360-N386 HydrophobicContact CG1-CB 4.09Å; V360-N386 HydrophobicContact CG2-CB 4.28Å; V384-N386 PolarHBondContact O-N 3.48Å; N386-S388 PolarHBondContact O-N 2.86Å; N386-S388 VanDerWaalsContact OD1-CB 3.24Å; N386-S388 WeakPolarHBondContact OD1-CB 3.3Å; N386-S388 PolarHBondContact OD1-N 3.03Å; N386-S388 PolarHBondContact OD1-OG 2.81Å; N386-C389 WeakPolarHBondContact O-CA 3.47Å; N386-C389 WeakPolarHBondContact O-CB 3.29Å; N386-C389 PolarHBondContact O-N 2.79Å
387	P	85.1	Confident	84.8	Confident	82 Å²	82	72.5 Å²	72.5	53%	0.532	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.4	-175.2	26.1	-35.4	0	0	0	113.4	P385 C389	P385-P387 WeakPolarHBondContact O-CD 3.33Å; P387-C389 PolarHBondContact O-N 3.44Å
388	S	79.6	Confident	84.6	Confident	47 Å²	47	74 Å²	74	33%	0.329	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-35.4	169.7	-48.1	0	0	0	0	111.5	N386 T391	N386-S388 PolarHBondContact O-N 2.86Å; N386-S388 VanDerWaalsContact OD1-CB 3.24Å; N386-S388 WeakPolarHBondContact OD1-CB 3.3Å; N386-S388 PolarHBondContact OD1-N 3.03Å; N386-S388 PolarHBondContact OD1-OG 2.81Å; S388-T391 PolarHBondContact O-N 3.03Å; S388-T391 PolarHBondContact O-OG1 2.86Å
389	C	81.4	Confident	84.3	Confident	22 Å²	22	73.1 Å²	73.1	15%	0.149	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-76.7	-26.2	-173.7	-54.9	0	0	0	0	113.1	N386 P387 T391 A392 C395	N386-C389 WeakPolarHBondContact O-CA 3.47Å; N386-C389 WeakPolarHBondContact O-CB 3.29Å; N386-C389 PolarHBondContact O-N 2.79Å; P387-C389 PolarHBondContact O-N 3.44Å; C389-T391 PolarHBondContact O-N 2.84Å; C389-T391 VanDerWaalsContact O-N 3.16Å; C389-A392 PolarHBondContact O-N 3Å; C389-A392 VanDerWaalsContact O-N 3.1Å; C389-C395 WeakPolarHBondContact CA-SG 3.5Å; C389-C395 HydrophobicContact CB-CB 3.87Å; C389-C395 WeakPolarHBondContact CB-SG 3.28Å; C389-C395 WeakPolarHBondContact SG-CB 3.28Å; C389-C395 CovalentContact SG-SG 2.01Å; C389-C395 PolarHBondContact SG-SG 2.75Å
390	E	79.1	Confident	84.3	Confident	161 Å²	161	73.4 Å²	73.4	75%	0.752	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-58.4	-25.6	170.4	-60.8	-175.9	166.6	0	0	112.5
391	T	77.9	Confident	84.4	Confident	125 Å²	125	68.5 Å²	68.5	77%	0.767	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-96.1	-2.2	-179.6	73.2	0	0	0	0	114.1	S388 C389	S388-T391 PolarHBondContact O-N 3.03Å; S388-T391 PolarHBondContact O-OG1 2.86Å; C389-T391 PolarHBondContact O-N 2.84Å; C389-T391 VanDerWaalsContact O-N 3.16Å
392	A	80.8	Confident	84.5	Confident	25 Å²	25	72.5 Å²	72.5	21%	0.207	40%	0.397	C	S	.	.	S	Bend	trans	-118.6	164.7	-174.7	0	0	0	0	0	112	L353 C389 G394	L353-A392 HydrophobicContact CD1-CB 3.76Å; L353-A392 HydrophobicContact CG-CB 3.94Å; C389-A392 PolarHBondContact O-N 3Å; C389-A392 VanDerWaalsContact O-N 3.1Å; A392-G394 PolarHBondContact O-N 2.92Å
393	P	82.3	Confident	84.5	Confident	75 Å²	75	72.2 Å²	72.2	49%	0.487	39%	0.391	S	S	.	.	S	Bend	trans	-69	-5.5	172.5	-19	33.3	0	0	0	114.9	P349 G351 W352	P349-P393 HydrophobicContact CB-CB 3.84Å; P349-P393 HydrophobicContact CB-CG 4.43Å; G351-P393 WeakPolarHBondContact O-CD 2.85Å; W352-P393 WeakPolarHBondContact CZ3-O 3.43Å
394	G	82.4	Confident	84.5	Confident	15 Å²	15	72.8 Å²	72.8	16%	0.155	40%	0.397	C	S	.	.			trans	148.7	168.5	-177.6	0	0	0	0	0	112.8	L353 A392	L353-G394 PolarHBondContact N-O 3.44Å; A392-G394 PolarHBondContact O-N 2.92Å
395	C	82.6	Confident	84.5	Confident	7 Å²	7	71.7 Å²	71.7	5%	0.047	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-138.3	168.1	-171.6	-80.9	0	0	0	0	112.8	W352 L353 E358 C389	W352-C395 VanDerWaalsContact CZ2-O 3.23Å; W352-C395 WeakPolarHBondContact CZ2-O 3.04Å; L353-C395 CarbonylContact O-C 3.51Å; L353-C395 VanDerWaalsContact O-CA 3.32Å; L353-C395 WeakPolarHBondContact O-CA 3.32Å; E358-C395 HydrophobicContact CB-CB 4.39Å; C389-C395 WeakPolarHBondContact CA-SG 3.5Å; C389-C395 HydrophobicContact CB-CB 3.87Å; C389-C395 WeakPolarHBondContact CB-SG 3.28Å; C389-C395 WeakPolarHBondContact SG-CB 3.28Å; C389-C395 CovalentContact SG-SG 2.01Å; C389-C395 PolarHBondContact SG-SG 2.75Å
396	G	83.2	Confident	84.4	Confident	14 Å²	14	73 Å²	73	14%	0.144	40%	0.398	C	S	.	.	S	Bend	trans	71.1	-172.9	-179.2	0	0	0	0	0	113.4	W352 L353 E356 W398	W352-G396 PolarHBondContact NE1-O 2.84Å; L353-G396 PolarHBondContact O-N 3.33Å; E356-G396 WeakPolarHBondContact O-CA 3.15Å; E356-G396 PolarHBondContact O-N 2.76Å; G396-W398 PolarHBondContact O-N 3.47Å
397	E	83.2	Confident	84.5	Confident	163 Å²	163	79.3 Å²	79.3	76%	0.762	43%	0.428	S	S	*	.	S	Bend	trans	-63.1	107.7	178.9	-66.5	-169.7	143.8	0	0	111.5	K399	E397-K399 PolarHBondContact O-N 2.95Å; E397-K399 VanDerWaalsContact O-N 3.13Å
398	W	84.6	Confident	84.6	Confident	57 Å²	57	80.7 Å²	80.7	22%	0.216	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-61.2	116.6	178.6	-179.2	77.4	0	0	0	111.7	K348 W352 G396 R400	K348-W398 HydrophobicContact CB-CD2 3.67Å; K348-W398 HydrophobicContact CB-CE3 3.8Å; K348-W398 HydrophobicContact CB-CG 4.23Å; K348-W398 HydrophobicContact CB-CH2 4.06Å; K348-W398 HydrophobicContact CB-CZ2 3.97Å; K348-W398 HydrophobicContact CB-CZ3 3.99Å; K348-W398 HydrophobicContact CD-CB 3.77Å; K348-W398 HydrophobicContact CD-CD2 3.93Å; K348-W398 HydrophobicContact CD-CE3 4.09Å; K348-W398 HydrophobicContact CD-CG 3.8Å; K348-W398 HydrophobicContact CG-CB 4.18Å; K348-W398 HydrophobicContact CG-CD2 3.7Å; K348-W398 HydrophobicContact CG-CE3 4.16Å; K348-W398 HydrophobicContact CG-CG 3.69Å; W352-W398 HydrophobicContact CD2-CB 4.24Å; W352-W398 AromaticContact CD2-CD1 3.78Å; W352-W398 HydrophobicContact CD2-CG 4.36Å; W352-W398 AromaticContact CE2-CD1 3.8Å; W352-W398 AromaticContact CE3-CD1 3.73Å; W352-W398 HydrophobicContact CG-CB 4.43Å; W352-W398 AromaticContact CH2-CD1 3.8Å; W352-W398 HydrophobicContact CZ2-CB 4.24Å; W352-W398 AromaticContact CZ2-CD1 3.83Å; W352-W398 HydrophobicContact CZ2-CG 4.47Å; W352-W398 AromaticContact CZ3-CD1 3.74Å; G396-W398 PolarHBondContact O-N 3.47Å; W398-R400 HydrophobicContact CH2-CB 4.48Å; W398-R400 HydrophobicContact CH2-CG 3.55Å; W398-R400 HydrophobicContact CZ2-CG 4.38Å; W398-R400 HydrophobicContact CZ3-CG 3.64Å
399	K	84	Confident	84.8	Confident	164 Å²	164	82.2 Å²	82.2	71%	0.713	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-100.3	143.3	172.7	-68.8	163.9	-170.5	164.5	0	109.5	E397	E397-K399 PolarHBondContact O-N 2.95Å; E397-K399 VanDerWaalsContact O-N 3.13Å
400	R	87.1	Confident	85	Confident	77 Å²	77	81.7 Å²	81.7	29%	0.291	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-63.4	139.7	174.2	-77.5	175.8	174.4	-77.2	-14.4	109.8	E342 D343 P344 A346 W398	E342-R400 HydrophobicContact CB-CB 3.83Å; E342-R400 HydrophobicContact CG-CB 3.99Å; E342-R400 WeakPolarHBondContact OE2-CD 3.18Å; D343-R400 PolarHBondContact O-NH1 3.35Å; P344-R400 PolarHBondContact O-NH1 2.89Å; A346-R400 PolarHBondContact O-NH1 2.9Å; W398-R400 HydrophobicContact CH2-CB 4.48Å; W398-R400 HydrophobicContact CH2-CG 3.55Å; W398-R400 HydrophobicContact CZ2-CG 4.38Å; W398-R400 HydrophobicContact CZ3-CG 3.64Å
401	P	88.4	Confident	85.4	Confident	67 Å²	67	82.4 Å²	82.4	44%	0.435	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.9	142.1	171.5	27.1	-32.5	0	0	0	109.6	D343 A346	D343-P401 HydrophobicContact CB-CG 4Å; D343-P401 WeakPolarHBondContact CB-O 3.18Å; D343-P401 PolarHBondContact N-O 3.24Å; A346-P401 HydrophobicContact CB-CG 3.64Å
402	M	91.7	Very high	85.9	Confident	101 Å²	101	79.4 Å²	79.4	50%	0.498	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	104.8	-175.3	-68.5	-65.6	-70.7	0	0	110	K340 I341 E342	K340-M402 HydrophobicContact CB-CB 4.11Å; K340-M402 HydrophobicContact CB-CE 3.98Å; K340-M402 HydrophobicContact CD-CB 4.32Å; K340-M402 WeakPolarHBondContact O-CE 3.46Å; I341-M402 CarbonylContact O-C 3.52Å; I341-M402 WeakPolarHBondContact O-CA 3.46Å; E342-M402 HydrophobicContact CB-SD 4.32Å; E342-M402 HydrophobicContact CG-SD 3.65Å
403	I	89.3	Confident	86.2	Confident	67 Å²	67	87.1 Å²	87.1	34%	0.344	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	151.3	178.1	56.6	170.3	0	0	0	111.2	K340 I341 D343 N405	K340-I403 CarbonylContact C-O 3.57Å; K340-I403 WeakPolarHBondContact CA-O 3.29Å; I341-I403 HydrophobicContact CG1-CG1 4Å; I341-I403 PolarHBondContact N-O 2.77Å; I341-I403 WeakPolarHBondContact O-CG1 3.37Å; I341-I403 PolarHBondContact O-N 2.76Å; D343-I403 HydrophobicContact CB-CD1 4.16Å; D343-I403 HydrophobicContact CB-CG1 4.16Å; D343-I403 HydrophobicContact CB-CG2 3.95Å; I403-N405 PolarHBondContact O-N 3.04Å
404	N	91.3	Very high	86.5	Confident	119 Å²	119	84.7 Å²	84.7	64%	0.636	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.5	176.9	-67.3	-15.7	0	0	0	110.4	K340 P406	K340-N404 WeakPolarHBondContact CE-OD1 3.18Å; N404-P406 VanDerWaalsContact O-CD 3.28Å; N404-P406 WeakPolarHBondContact O-CD 3.37Å
405	N	88.2	Confident	87	Confident	25 Å²	25	87.4 Å²	87.4	13%	0.134	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-75.8	116.1	-175.4	177.2	1.7	0	0	0	111.3	P338 A339 I341 I403 Q407 Y408	P338-N405 WeakPolarHBondContact O-CB 3.33Å; P338-N405 PolarHBondContact O-ND2 2.97Å; A339-N405 PolarHBondContact O-N 3.49Å; I341-N405 HydrophobicContact CD1-CB 4.36Å; I341-N405 HydrophobicContact CG1-CB 4.22Å; I341-N405 HydrophobicContact CG2-CB 4.09Å; I403-N405 PolarHBondContact O-N 3.04Å; N405-Q407 PolarHBondContact O-N 2.82Å; N405-Q407 PolarHBondContact OD1-N 2.99Å; N405-Y408 WeakPolarHBondContact O-CB 3.38Å; N405-Y408 PolarHBondContact O-N 2.91Å
406	P	86.7	Confident	87.5	Confident	111 Å²	111	92.5 Å²	92.5	72%	0.721	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-2	-179.1	-19.9	34	0	0	0	115.1	N404	N404-P406 VanDerWaalsContact O-CD 3.28Å; N404-P406 WeakPolarHBondContact O-CD 3.37Å
407	Q	85	Confident	87.9	Confident	142 Å²	142	94.9 Å²	94.9	66%	0.664	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-4.7	173.9	-58.6	-63.8	-98.6	0	0	113.1	N405 K409	N405-Q407 PolarHBondContact O-N 2.82Å; N405-Q407 PolarHBondContact OD1-N 2.99Å; Q407-K409 PolarHBondContact O-N 3.47Å
408	Y	87.9	Confident	88.4	Confident	111 Å²	111	92.9 Å²	92.9	44%	0.435	46%	0.457	S	S	.	.			trans	-72.3	121.5	175.4	-179.9	-113.7	0	0	0	110.8	A337 A339 N405	A337-Y408 WeakPolarHBondContact O-CD2 3.42Å; A337-Y408 WeakPolarHBondContact O-CE2 3.17Å; A339-Y408 HydrophobicContact CB-CD1 3.74Å; A339-Y408 HydrophobicContact CB-CD2 4.27Å; A339-Y408 HydrophobicContact CB-CE1 3.6Å; A339-Y408 HydrophobicContact CB-CE2 4.15Å; A339-Y408 HydrophobicContact CB-CG 4.06Å; N405-Y408 WeakPolarHBondContact O-CB 3.38Å; N405-Y408 PolarHBondContact O-N 2.91Å
409	K	83.6	Confident	88.8	Confident	79 Å²	79	90.6 Å²	90.6	34%	0.343	45%	0.449	S	S	.	.			trans	-113.2	-1.9	176.1	-62.5	174	179	167.2	0	113	D332 W333 Q407	D332-K409 PolarHBondContact O-NZ 2.77Å; D332-K409 IonicContact OD1-NZ 3.79Å; D332-K409 PolarHBondContact OD1-NZ 2.94Å; D332-K409 IonicContact OD2-NZ 3.33Å; D332-K409 PolarHBondContact OD2-NZ 3.5Å; W333-K409 HydrophobicContact CD2-CB 3.86Å; W333-K409 HydrophobicContact CD2-CD 3.73Å; W333-K409 HydrophobicContact CD2-CG 4.46Å; W333-K409 VanDerWaalsContact CE2-CB 3.45Å; W333-K409 HydrophobicContact CE3-CB 4.3Å; W333-K409 HydrophobicContact CE3-CD 3.7Å; W333-K409 HydrophobicContact CG-CB 4.38Å; W333-K409 HydrophobicContact CG-CD 4.09Å; W333-K409 HydrophobicContact CH2-CB 4.08Å; W333-K409 HydrophobicContact CZ2-CB 3.61Å; W333-K409 WeakPolarHBondContact CZ2-O 3.39Å; W333-K409 HydrophobicContact CZ3-CB 4.39Å; W333-K409 HydrophobicContact CZ3-CD 4.18Å; Q407-K409 PolarHBondContact O-N 3.47Å
410	G	86	Confident	89.1	Confident	11 Å²	11	88.1 Å²	88.1	11%	0.113	45%	0.449	C	S	.	.			trans	72.4	-167.1	-171.8	0	0	0	0	0	113.2	W333	W333-G410 PolarHBondContact NE1-O 2.83Å
411	K	86.8	Confident	89.3	Confident	175 Å²	175	89.7 Å²	89.7	76%	0.761	46%	0.463	S	S	*	.	S	Bend	trans	-75.4	135.7	174.8	-67.6	177.6	-177.9	171.3	0	110.6	E335 K413	E335-K411 WeakPolarHBondContact OE1-CA 3.34Å; K411-K413 PolarHBondContact O-N 3.1Å
412	W	87.9	Confident	89.4	Confident	63 Å²	63	91.4 Å²	91.4	24%	0.239	46%	0.462	C	S	.	.			trans	-73.8	122.3	-179	-177.2	79	0	0	0	110.7	A327 K329 W333 E335 A414	A327-W412 HydrophobicContact CB-CH2 3.94Å; A327-W412 HydrophobicContact CB-CZ2 4.15Å; K329-W412 HydrophobicContact CB-CD2 3.81Å; K329-W412 HydrophobicContact CB-CE3 3.76Å; K329-W412 HydrophobicContact CB-CG 4.15Å; K329-W412 HydrophobicContact CB-CZ3 4.27Å; K329-W412 HydrophobicContact CD-CB 4.33Å; K329-W412 HydrophobicContact CG-CB 3.95Å; K329-W412 HydrophobicContact CG-CD2 4.17Å; K329-W412 HydrophobicContact CG-CE3 4.44Å; K329-W412 HydrophobicContact CG-CG 3.94Å; W333-W412 HydrophobicContact CD2-CB 4.19Å; W333-W412 AromaticContact CD2-CD1 3.71Å; W333-W412 HydrophobicContact CD2-CG 4.34Å; W333-W412 AromaticContact CE2-CD1 3.94Å; W333-W412 AromaticContact CE3-CD1 3.76Å; W333-W412 HydrophobicContact CG-CB 4.19Å; W333-W412 HydrophobicContact CZ2-CB 4.43Å; E335-W412 PolarHBondContact OE1-N 2.71Å; W412-A414 HydrophobicContact CH2-CB 3.5Å; W412-A414 VanDerWaalsContact CH2-CB 3.5Å; W412-A414 HydrophobicContact CZ2-CB 4.18Å; W412-A414 HydrophobicContact CZ3-CB 3.8Å
413	K	88	Confident	89.2	Confident	186 Å²	186	91 Å²	91	81%	0.809	46%	0.459	S	S	*	.			trans	-106.2	129.1	170.6	-62.8	-177.4	-178	179.7	0	108.4	K411	K411-K413 PolarHBondContact O-N 3.1Å
414	A	89.6	Confident	89.3	Confident	25 Å²	25	88.7 Å²	88.7	21%	0.207	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-63.9	145.9	172.5	0	0	0	0	0	110.5	P323 A327 W412	P323-A414 HydrophobicContact CB-CB 4.08Å; A327-A414 HydrophobicContact CB-CB 4.23Å; W412-A414 HydrophobicContact CH2-CB 3.5Å; W412-A414 VanDerWaalsContact CH2-CB 3.5Å; W412-A414 HydrophobicContact CZ2-CB 4.18Å; W412-A414 HydrophobicContact CZ3-CB 3.8Å
415	P	91	Very high	89.3	Confident	71 Å²	71	87.8 Å²	87.8	46%	0.461	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-61	145.7	175.3	27.2	-34.3	0	0	0	110.8	D324 A327	D324-P415 HydrophobicContact CB-CG 3.98Å; D324-P415 WeakPolarHBondContact CB-O 3.5Å; D324-P415 PolarHBondContact N-O 2.87Å; A327-P415 HydrophobicContact CB-CG 4.03Å
416	L	93.7	Very high	89.5	Confident	115 Å²	115	89.1 Å²	89.1	60%	0.602	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.3	177.5	-64.6	179.2	0	0	0	110.4	K321 I322 P323	K321-L416 HydrophobicContact CB-CB 4.21Å; K321-L416 HydrophobicContact CD-CB 4.32Å; I322-L416 WeakPolarHBondContact O-CA 3.37Å; P323-L416 HydrophobicContact CB-CD2 4.47Å; P323-L416 HydrophobicContact CG-CD2 4.1Å
417	I	92.9	Very high	89.7	Confident	63 Å²	63	91.4 Å²	91.4	32%	0.323	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	152.8	173.1	58.9	170.6	0	0	0	110.6	K321 I322 D324 N419	K321-I417 CarbonylContact C-O 3.6Å; K321-I417 WeakPolarHBondContact CA-O 3.4Å; K321-I417 WeakPolarHBondContact CB-O 3.44Å; I322-I417 HydrophobicContact CG1-CG1 4.09Å; I322-I417 PolarHBondContact N-O 2.72Å; I322-I417 PolarHBondContact O-N 3.17Å; D324-I417 HydrophobicContact CB-CD1 4.31Å; D324-I417 HydrophobicContact CB-CG1 4.33Å; D324-I417 HydrophobicContact CB-CG2 4.01Å; I417-N419 PolarHBondContact O-N 2.76Å
418	D	93.6	Very high	90.1	Very high	121 Å²	121	86.4 Å²	86.4	65%	0.647	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.7	174.7	-58.6	-36.6	0	0	0	110	K321 P420	K321-D418 WeakPolarHBondContact CE-OD1 3.39Å; D418-P420 WeakPolarHBondContact O-CD 3.4Å
419	N	91.9	Very high	90.2	Very high	10 Å²	10	89.4 Å²	89.4	5%	0.053	44%	0.442	C	S	.	.			trans	-77.7	118.6	-170	179.2	2.4	0	0	0	111.7	D317 R319 A320 I322 I417 N421 Y422	D317-N419 PolarHBondContact OD2-ND2 2.63Å; R319-N419 WeakPolarHBondContact O-CB 3.46Å; R319-N419 PolarHBondContact O-ND2 3.01Å; A320-N419 PolarHBondContact O-N 3.33Å; I322-N419 HydrophobicContact CD1-CB 4.32Å; I322-N419 HydrophobicContact CG1-CB 4.01Å; I322-N419 HydrophobicContact CG2-CB 4.06Å; I417-N419 PolarHBondContact O-N 2.76Å; N419-N421 PolarHBondContact O-N 3.49Å; N419-N421 VanDerWaalsContact O-N 3.08Å; N419-N421 PolarHBondContact OD1-N 3.18Å; N419-Y422 WeakPolarHBondContact O-CB 3.15Å; N419-Y422 PolarHBondContact O-N 3.43Å; N419-Y422 VanDerWaalsContact O-N 3.1Å
420	P	90.2	Very high	90.6	Very high	111 Å²	111	92 Å²	92	72%	0.721	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.2	180	-23.2	35	0	0	0	114.8	D418	D418-P420 WeakPolarHBondContact O-CD 3.4Å
421	N	90.9	Very high	90.9	Very high	110 Å²	110	95.4 Å²	95.4	59%	0.588	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	6.4	179.6	-56.1	-53.3	0	0	0	113.4	N419 Q423	N419-N421 PolarHBondContact O-N 3.49Å; N419-N421 VanDerWaalsContact O-N 3.08Å; N419-N421 PolarHBondContact OD1-N 3.18Å; N421-Q423 PolarHBondContact O-N 2.72Å
422	Y	91.8	Very high	91.1	Very high	104 Å²	104	93.9 Å²	93.9	41%	0.408	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-63.4	116.9	179.1	175.4	-127.1	0	0	0	111	D317 E318 A320 N419 G424	D317-Y422 WeakPolarHBondContact O-CA 3.4Å; E318-Y422 WeakPolarHBondContact O-CE2 3.31Å; A320-Y422 HydrophobicContact CB-CD1 4.27Å; A320-Y422 HydrophobicContact CB-CD2 4.35Å; A320-Y422 HydrophobicContact CB-CE1 4.04Å; A320-Y422 HydrophobicContact CB-CE2 4.13Å; A320-Y422 HydrophobicContact CB-CG 4.41Å; N419-Y422 WeakPolarHBondContact O-CB 3.15Å; N419-Y422 PolarHBondContact O-N 3.43Å; N419-Y422 VanDerWaalsContact O-N 3.1Å; Y422-G424 VanDerWaalsContact CE2-CA 3.44Å; Y422-G424 VanDerWaalsContact CZ-CA 3.48Å
423	Q	87.7	Confident	91.2	Very high	93 Å²	93	91.9 Å²	91.9	44%	0.435	46%	0.459	S	S	.	.			trans	-99.4	2.6	-177.2	-75.5	164.1	88.7	0	0	113.1	D315 W316 D317 N421	D315-Q423 PolarHBondContact O-NE2 3.18Å; W316-Q423 HydrophobicContact CD2-CB 3.84Å; W316-Q423 VanDerWaalsContact CE2-CB 3.49Å; W316-Q423 HydrophobicContact CE3-CB 4.2Å; W316-Q423 HydrophobicContact CG-CB 4.41Å; W316-Q423 HydrophobicContact CH2-CB 4.03Å; W316-Q423 HydrophobicContact CZ2-CB 3.63Å; W316-Q423 VanDerWaalsContact CZ2-O 3.23Å; W316-Q423 WeakPolarHBondContact CZ2-O 3.06Å; W316-Q423 HydrophobicContact CZ3-CB 4.28Å; D317-Q423 PolarHBondContact O-N 3.38Å; N421-Q423 PolarHBondContact O-N 2.72Å
424	G	90.1	Very high	91.2	Very high	18 Å²	18	88.1 Å²	88.1	19%	0.186	45%	0.453	C	S	.	.			trans	93.5	168.8	-168.7	0	0	0	0	0	111.9	W316 Y422 W426	W316-G424 PolarHBondContact NE1-O 3.15Å; Y422-G424 VanDerWaalsContact CE2-CA 3.44Å; Y422-G424 VanDerWaalsContact CZ-CA 3.48Å; G424-W426 PolarHBondContact O-N 3.21Å
425	V	91.6	Very high	91	Very high	99 Å²	99	91.8 Å²	91.8	60%	0.6	47%	0.466	S	S	*	.	S	Bend	trans	-64.6	126.3	165.5	-179.2	0	0	0	0	108.2
426	W	92.6	Very high	90.9	Very high	53 Å²	53	91.5 Å²	91.5	20%	0.201	46%	0.456	C	S	.	.			trans	-66.4	145.7	-178.9	-179.2	82.1	0	0	0	110.8	D310 K312 W316 E318 G424 P428	D310-W426 WeakPolarHBondContact O-CH2 3.35Å; K312-W426 HydrophobicContact CB-CD2 3.71Å; K312-W426 HydrophobicContact CB-CE3 3.81Å; K312-W426 HydrophobicContact CB-CG 4.05Å; K312-W426 HydrophobicContact CB-CZ3 4.28Å; K312-W426 HydrophobicContact CD-CB 4.26Å; K312-W426 HydrophobicContact CG-CB 4Å; K312-W426 HydrophobicContact CG-CD2 4.07Å; K312-W426 HydrophobicContact CG-CE3 4.45Å; K312-W426 HydrophobicContact CG-CG 3.84Å; W316-W426 HydrophobicContact CD2-CB 4.44Å; W316-W426 AromaticContact CD2-CD1 3.87Å; W316-W426 HydrophobicContact CG-CB 4.24Å; E318-W426 VanDerWaalsContact OE1-CB 3.32Å; E318-W426 WeakPolarHBondContact OE1-CB 3.33Å; E318-W426 PolarHBondContact OE1-N 3.49Å; G424-W426 PolarHBondContact O-N 3.21Å; W426-P428 HydrophobicContact CH2-CB 3.74Å; W426-P428 HydrophobicContact CH2-CG 3.53Å; W426-P428 HydrophobicContact CZ2-CB 4.15Å; W426-P428 HydrophobicContact CZ2-CG 4.35Å; W426-P428 HydrophobicContact CZ3-CB 4.41Å; W426-P428 HydrophobicContact CZ3-CG 3.73Å
427	K	90.7	Very high	90.7	Very high	160 Å²	160	86.7 Å²	86.7	70%	0.696	43%	0.43	S	S	*	.			trans	-139.8	142.5	171.5	-61.8	-169.8	178.4	-170.2	0	108.9
428	P	92.6	Very high	90.5	Very high	37 Å²	37	89.2 Å²	89.2	24%	0.24	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-62.5	155.9	176.8	-10.5	22.2	0	0	0	111.1	D306 D310 W426	D306-P428 HydrophobicContact CB-CB 4.03Å; D306-P428 HydrophobicContact CB-CG 4.01Å; D310-P428 HydrophobicContact CB-CB 4.35Å; W426-P428 HydrophobicContact CH2-CB 3.74Å; W426-P428 HydrophobicContact CH2-CG 3.53Å; W426-P428 HydrophobicContact CZ2-CB 4.15Å; W426-P428 HydrophobicContact CZ2-CG 4.35Å; W426-P428 HydrophobicContact CZ3-CB 4.41Å; W426-P428 HydrophobicContact CZ3-CG 3.73Å
429	R	90.4	Very high	90.2	Very high	174 Å²	174	85.6 Å²	85.6	66%	0.657	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-63.1	141	172	-71.1	158.2	-164.6	170.3	8.6	111	D307 D310	D307-R429 VanDerWaalsContact CB-O 3.32Å; D307-R429 WeakPolarHBondContact CB-O 3.39Å; D307-R429 PolarHBondContact N-O 3.36Å; D310-R429 IonicContact OD1-CZ 3.95Å; D310-R429 IonicContact OD1-NE 2.68Å; D310-R429 PolarHBondContact OD1-NE 3.15Å; D310-R429 IonicContact OD1-NH1 3.66Å; D310-R429 IonicContact OD1-NH2 2.77Å; D310-R429 WeakPolarHBondContact OD2-CD 3.31Å; D310-R429 WeakPolarHBondContact OD2-CG 3.32Å; D310-R429 PolarHBondContact OD2-N 3.43Å; D310-R429 IonicContact OD2-NE 2.76Å
430	K	92.8	Very high	90.1	Very high	134 Å²	134	90.6 Å²	90.6	58%	0.583	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	133	171.6	-67.7	-164.2	171.6	-161.2	0	111.8	E304 I305	E304-K430 HydrophobicContact CB-CB 4.29Å; E304-K430 HydrophobicContact CB-CD 4.17Å; E304-K430 VanDerWaalsContact OE2-CD 3.3Å; E304-K430 WeakPolarHBondContact OE2-CD 3.21Å; I305-K430 WeakPolarHBondContact O-CA 3.46Å
431	M	91.9	Very high	90	Very high	82 Å²	82	89.2 Å²	89.2	40%	0.404	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	155	170	-70.7	-159.8	-57.4	0	0	111.1	E304 I305 D307 N433	E304-M431 CarbonylContact C-O 3.6Å; E304-M431 VanDerWaalsContact CA-O 3.25Å; E304-M431 WeakPolarHBondContact CA-O 3.5Å; I305-M431 PolarHBondContact N-O 3.12Å; I305-M431 PolarHBondContact O-N 3.15Å; D307-M431 HydrophobicContact CB-CE 3.82Å; D307-M431 HydrophobicContact CB-CG 4.12Å; D307-M431 HydrophobicContact CB-SD 4.34Å; D307-M431 VanDerWaalsContact OD1-CE 3.23Å; D307-M431 WeakPolarHBondContact OD1-CE 3.29Å; M431-N433 PolarHBondContact O-N 3.48Å
432	M	92.2	Very high	89.9	Confident	143 Å²	143	84 Å²	84	70%	0.704	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	127.7	172	-66.6	-71.6	153.5	0	0	109.8	E304 P434	E304-M432 HydrophobicContact CG-CE 4.24Å; E304-M432 HydrophobicContact CG-SD 4.48Å; M432-P434 WeakPolarHBondContact O-CD 3.38Å
433	N	89.3	Confident	89.9	Confident	21 Å²	21	79.1 Å²	79.1	11%	0.112	39%	0.385	C	S	.	.			trans	-71.1	121.1	-176.5	178.5	5.4	0	0	0	111.5	P302 K303 I305 M431 E435 Y436	P302-N433 VanDerWaalsContact O-CB 3.26Å; P302-N433 WeakPolarHBondContact O-CB 3.43Å; P302-N433 PolarHBondContact O-ND2 2.94Å; K303-N433 PolarHBondContact O-N 2.78Å; I305-N433 HydrophobicContact CD1-CB 4.31Å; I305-N433 HydrophobicContact CG1-CB 4.09Å; I305-N433 HydrophobicContact CG2-CB 4.01Å; M431-N433 PolarHBondContact O-N 3.48Å; N433-E435 VanDerWaalsContact C-N 3.3Å; N433-E435 PolarHBondContact O-N 3.02Å; N433-E435 PolarHBondContact OD1-N 2.63Å; N433-Y436 VanDerWaalsContact O-CB 3.25Å; N433-Y436 WeakPolarHBondContact O-CB 3.26Å; N433-Y436 PolarHBondContact O-N 2.88Å
434	P	87.4	Confident	90.1	Very high	106 Å²	106	80.7 Å²	80.7	69%	0.688	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.1	178	-22.3	34.4	0	0	0	114	M432 Y436	M432-P434 WeakPolarHBondContact O-CD 3.38Å; P434-Y436 PolarHBondContact O-N 3.34Å
435	E	85.6	Confident	90.1	Very high	103 Å²	103	81 Å²	81	48%	0.481	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	15.7	179.9	-60.8	-61.9	118	0	0	112.1	P301 N433 F437	P301-E435 WeakPolarHBondContact CG-O 3.34Å; N433-E435 VanDerWaalsContact C-N 3.3Å; N433-E435 PolarHBondContact O-N 3.02Å; N433-E435 PolarHBondContact OD1-N 2.63Å; E435-F437 PolarHBondContact O-N 3.42Å
436	Y	88.1	Confident	90.1	Very high	65 Å²	65	78.8 Å²	78.8	26%	0.255	37%	0.37	S	S	.	.			trans	-69	124.3	-178	-179.9	-107.1	0	0	0	112.8	P301 K303 N433 P434 E438	P301-Y436 HydrophobicContact CG-CD2 4.43Å; P301-Y436 VanDerWaalsContact O-CD2 3.28Å; P301-Y436 WeakPolarHBondContact O-CD2 3.37Å; P301-Y436 VanDerWaalsContact O-CE2 3.27Å; P301-Y436 WeakPolarHBondContact O-CE2 3.24Å; K303-Y436 HydrophobicContact CB-CD2 4.42Å; K303-Y436 HydrophobicContact CB-CE2 4.49Å; K303-Y436 HydrophobicContact CD-CE1 4.45Å; K303-Y436 HydrophobicContact CD-CE2 4.38Å; K303-Y436 WeakPolarHBondContact CE-OH 3.37Å; K303-Y436 HydrophobicContact CG-CD1 4.31Å; K303-Y436 HydrophobicContact CG-CD2 3.79Å; K303-Y436 HydrophobicContact CG-CE1 3.97Å; K303-Y436 HydrophobicContact CG-CE2 3.44Å; K303-Y436 VanDerWaalsContact CG-CE2 3.44Å; K303-Y436 HydrophobicContact CG-CG 4.25Å; K303-Y436 PolarHBondContact NZ-OH 3.03Å; N433-Y436 VanDerWaalsContact O-CB 3.25Å; N433-Y436 WeakPolarHBondContact O-CB 3.26Å; N433-Y436 PolarHBondContact O-N 2.88Å; P434-Y436 PolarHBondContact O-N 3.34Å; Y436-E438 HydrophobicContact CE1-CB 4.48Å; Y436-E438 VanDerWaalsContact OH-CB 3.28Å; Y436-E438 WeakPolarHBondContact OH-CB 3.4Å; Y436-E438 VanDerWaalsContact OH-CD 3.28Å; Y436-E438 VanDerWaalsContact OH-CG 3.32Å; Y436-E438 WeakPolarHBondContact OH-CG 2.88Å; Y436-E438 PolarHBondContact OH-OE1 2.88Å
437	F	89.6	Confident	90.2	Very high	13 Å²	13	77.7 Å²	77.7	6%	0.057	37%	0.371	C	S	.	.			trans	-133	162.7	168.6	67.3	-94.8	0	0	0	112	H235 N237 P238 L239 V299 P301 E435	H235-F437 AromaticContact NE2-CE2 3.66Å; H235-F437 AromaticContact NE2-CZ 3.9Å; N237-F437 HydrophobicContact CB-CE1 4.19Å; N237-F437 HydrophobicContact CB-CZ 4.34Å; N237-F437 VanDerWaalsContact CG-CE1 3.5Å; N237-F437 WeakPolarHBondContact ND2-CE1 3.4Å; P238-F437 VanDerWaalsContact CD-CD2 3.45Å; P238-F437 VanDerWaalsContact CD-CE2 3.5Å; P238-F437 HydrophobicContact CG-CB 3.8Å; P238-F437 HydrophobicContact CG-CD1 4.28Å; P238-F437 HydrophobicContact CG-CD2 3.47Å; P238-F437 VanDerWaalsContact CG-CD2 3.47Å; P238-F437 HydrophobicContact CG-CE2 4.05Å; P238-F437 HydrophobicContact CG-CG 3.59Å; L239-F437 HydrophobicContact CD1-CB 4.07Å; L239-F437 HydrophobicContact CD1-CD1 4.26Å; L239-F437 HydrophobicContact CG-CB 4.09Å; L239-F437 HydrophobicContact CG-CD1 4.47Å; V299-F437 WeakPolarHBondContact O-CE2 3.19Å; V299-F437 WeakPolarHBondContact O-CZ 3.32Å; P301-F437 VanDerWaalsContact CD-CE1 3.46Å; P301-F437 HydrophobicContact CG-CD1 3.82Å; P301-F437 HydrophobicContact CG-CE1 3.81Å; P301-F437 HydrophobicContact CG-CG 4.49Å; P301-F437 HydrophobicContact CG-CZ 4.48Å; E435-F437 PolarHBondContact O-N 3.42Å
438	E	88.8	Confident	90.4	Very high	117 Å²	117	70.1 Å²	70.1	55%	0.547	34%	0.338	S	S	.	.			trans	-130.3	98.4	178.7	-155.5	163.8	-122	0	0	108.6	K303 Y436 L440	K303-E438 IonicContact NZ-OE1 2.75Å; K303-E438 PolarHBondContact NZ-OE1 3.36Å; Y436-E438 HydrophobicContact CE1-CB 4.48Å; Y436-E438 VanDerWaalsContact OH-CB 3.28Å; Y436-E438 WeakPolarHBondContact OH-CB 3.4Å; Y436-E438 VanDerWaalsContact OH-CD 3.28Å; Y436-E438 VanDerWaalsContact OH-CG 3.32Å; Y436-E438 WeakPolarHBondContact OH-CG 2.88Å; Y436-E438 PolarHBondContact OH-OE1 2.88Å; E438-L440 HydrophobicContact CG-CD2 4.24Å
439	D	88.4	Confident	90.5	Very high	44 Å²	44	72.2 Å²	72.2	24%	0.235	34%	0.343	C	S	.	.			trans	-92.9	142	161.8	-174.1	16.8	0	0	0	109.6	H235 L292 N300 Q441 P442	H235-D439 IonicContact CE1-OD2 3.55Å; H235-D439 PolarHBondContact CE1-OD2 2.82Å; L292-D439 WeakPolarHBondContact CD2-O 3.4Å; N300-D439 PolarHBondContact ND2-O 2.65Å; N300-D439 PolarHBondContact OD1-N 2.96Å; N300-D439 PolarHBondContact OD1-O 2.95Å; D439-Q441 PolarHBondContact OD1-N 3.14Å; D439-P442 WeakPolarHBondContact OD2-CA 3.28Å
440	L	89.2	Confident	90.7	Very high	115 Å²	115	64 Å²	64	60%	0.602	31%	0.312	S	S	*	.	S	Bend	trans	-116.4	-7.4	179.6	-57.7	177.5	0	0	0	111.9	N275 E438 P442	N275-L440 PolarHBondContact ND2-O 2.78Å; E438-L440 HydrophobicContact CG-CD2 4.24Å; L440-P442 VanDerWaalsContact C-CD 3.48Å
441	Q	89	Confident	90.9	Very high	83 Å²	83	57.6 Å²	57.6	39%	0.388	29%	0.285	S	S	.	.			trans	-134.6	54	-178.6	-55.9	-163.1	-74.7	0	0	113.1	D439 F443 R444	D439-Q441 PolarHBondContact OD1-N 3.14Å; Q441-F443 PolarHBondContact O-N 2.83Å; Q441-R444 HydrophobicContact CB-CG 4.38Å; Q441-R444 WeakPolarHBondContact O-CB 3.5Å; Q441-R444 PolarHBondContact O-N 2.92Å
442	P	89	Confident	91	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.2	176	22.5	-35	0	0	0	114.4	F233 N275 L291 L292 V299 D439 L440 R444	F233-P442 HydrophobicContact CE2-CB 4.21Å; F233-P442 HydrophobicContact CZ-CB 4.21Å; N275-P442 HydrophobicContact CB-CG 4.4Å; N275-P442 WeakPolarHBondContact OD1-CD 3.26Å; N275-P442 WeakPolarHBondContact OD1-CG 3.35Å; L291-P442 HydrophobicContact CB-CB 4.25Å; L291-P442 HydrophobicContact CB-CG 3.74Å; L291-P442 HydrophobicContact CD1-CB 4.12Å; L291-P442 HydrophobicContact CD1-CG 4.1Å; L292-P442 HydrophobicContact CD2-CG 3.72Å; L292-P442 HydrophobicContact CG-CG 4.04Å; V299-P442 HydrophobicContact CG1-CB 4.04Å; V299-P442 HydrophobicContact CG1-CG 4.41Å; V299-P442 HydrophobicContact CG2-CB 4.21Å; D439-P442 WeakPolarHBondContact OD2-CA 3.28Å; L440-P442 VanDerWaalsContact C-CD 3.48Å; P442-R444 PolarHBondContact O-N 3.45Å
443	F	91.4	Very high	91.2	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-33.7	167.6	-179.2	-99.9	0	0	0	113.1	F170 E173 L271 N272 P273 N275 L291 Q441 M445	F170-F443 HydrophobicContact CB-CD1 4.25Å; F170-F443 HydrophobicContact CB-CE1 3.98Å; F170-F443 HydrophobicContact CB-CZ 4.41Å; F170-F443 WeakPolarHBondContact CB-O 3.38Å; F170-F443 HydrophobicContact CD1-CD2 4.46Å; F170-F443 HydrophobicContact CD1-CE1 4.21Å; F170-F443 AromaticContact CD1-CE2 3.95Å; F170-F443 HydrophobicContact CD1-CE2 3.95Å; F170-F443 AromaticContact CD1-CZ 3.8Å; F170-F443 HydrophobicContact CD1-CZ 3.8Å; F170-F443 WeakPolarHBondContact CG-O 3.47Å; E173-F443 VanDerWaalsContact O-CZ 3.24Å; E173-F443 WeakPolarHBondContact O-CZ 3.27Å; L271-F443 HydrophobicContact CD2-CD2 3.88Å; L271-F443 HydrophobicContact CD2-CE2 3.94Å; L271-F443 HydrophobicContact CG-CD2 3.81Å; L271-F443 HydrophobicContact CG-CE2 3.82Å; N272-F443 WeakPolarHBondContact O-CD2 3.37Å; P273-F443 HydrophobicContact CB-CD1 4.15Å; P273-F443 HydrophobicContact CB-CE1 4.02Å; P273-F443 HydrophobicContact CB-CZ 4.46Å; P273-F443 HydrophobicContact CG-CE1 4.04Å; P273-F443 HydrophobicContact CG-CZ 4.09Å; N275-F443 WeakPolarHBondContact OD1-CB 3.23Å; N275-F443 PolarHBondContact OD1-N 2.87Å; L291-F443 HydrophobicContact CD1-CB 4.39Å; Q441-F443 PolarHBondContact O-N 2.83Å; F443-M445 PolarHBondContact O-N 3.42Å
444	R	91	Very high	91.4	Very high	126 Å²	126	46.4 Å²	46.4	48%	0.475	23%	0.229	S	C	.	.	S	Bend	trans	-79	50.3	-176.4	-67.5	-178.6	164.2	179.8	-11.8	113	D172 Q441 P442	D172-R444 IonicContact OD1-NH2 2.76Å; D172-R444 PolarHBondContact OD1-NH2 3.13Å; Q441-R444 HydrophobicContact CB-CG 4.38Å; Q441-R444 WeakPolarHBondContact O-CB 3.5Å; Q441-R444 PolarHBondContact O-N 2.92Å; P442-R444 PolarHBondContact O-N 3.45Å
445	M	90.5	Very high	91.6	Very high	23 Å²	23	41.4 Å²	41.4	11%	0.113	20%	0.196	C	C	.	.			trans	-77.7	178.2	177.7	65	-175.1	117.8	0	0	113.1	F170 T215 I216 F233 L271 F443 S447	F170-M445 HydrophobicContact CD1-CE 4.03Å; F170-M445 HydrophobicContact CD1-CG 4.13Å; F170-M445 HydrophobicContact CD2-CG 3.54Å; F170-M445 WeakPolarHBondContact CD2-O 3.37Å; F170-M445 HydrophobicContact CE1-CE 3.74Å; F170-M445 HydrophobicContact CE1-CG 4.18Å; F170-M445 HydrophobicContact CE1-SD 4.31Å; F170-M445 HydrophobicContact CE2-CG 3.6Å; F170-M445 HydrophobicContact CE2-SD 4.3Å; F170-M445 HydrophobicContact CG-CG 3.82Å; F170-M445 HydrophobicContact CZ-CE 4.11Å; F170-M445 HydrophobicContact CZ-CG 3.93Å; F170-M445 HydrophobicContact CZ-SD 4.09Å; T215-M445 HydrophobicContact CG2-CB 4.14Å; T215-M445 HydrophobicContact CG2-CG 3.51Å; T215-M445 HydrophobicContact CG2-SD 3.36Å; T215-M445 WeakPolarHBondContact CG2-SD 3.46Å; I216-M445 HydrophobicContact CD1-CE 3.98Å; I216-M445 HydrophobicContact CD1-SD 4.08Å; I216-M445 HydrophobicContact CG1-CE 4.38Å; I216-M445 HydrophobicContact CG1-SD 3.87Å; F233-M445 HydrophobicContact CB-SD 4.07Å; F233-M445 HydrophobicContact CD2-CE 4.46Å; F233-M445 HydrophobicContact CD2-SD 4.02Å; F233-M445 HydrophobicContact CG-SD 4.43Å; L271-M445 HydrophobicContact CD2-CE 3.32Å; F443-M445 PolarHBondContact O-N 3.42Å; M445-S447 PolarHBondContact O-N 3.47Å
446	T	92.1	Very high	91.8	Very high	53 Å²	53	41.6 Å²	41.6	33%	0.325	19%	0.193	S	C	.	.			trans	-64.1	131.9	-177.9	42.2	0	0	0	0	112.6	F170 T215	F170-T446 WeakPolarHBondContact CE2-O 3.27Å; T215-T446 WeakPolarHBondContact CB-O 3.29Å; T215-T446 WeakPolarHBondContact CG2-O 3.21Å; T215-T446 PolarHBondContact OG1-O 2.9Å; T215-T446 PolarHBondContact OG1-OG1 3.15Å; T215-T446 VanDerWaalsContact OG1-OG1 3.05Å
447	S	94.3	Very high	91.8	Very high	31 Å²	31	38.5 Å²	38.5	22%	0.217	18%	0.18	C	C	.	.			trans	-52.6	152.7	171.3	43.3	0	0	0	0	112.4	F168 S198 D199 M445	F168-S447 VanDerWaalsContact O-CA 3.22Å; F168-S447 WeakPolarHBondContact O-CA 3.38Å; F168-S447 WeakPolarHBondContact O-CB 3.15Å; S198-S447 CarbonylContact C-O 3.53Å; S198-S447 WeakPolarHBondContact CA-O 3.28Å; D199-S447 PolarHBondContact N-O 2.95Å; M445-S447 PolarHBondContact O-N 3.47Å
448	F	94.9	Very high	91.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.4	178.3	71.4	-91.6	0	0	0	111.7	L164 P167 F168 F170 L175 L196 L197 I469	L164-F448 HydrophobicContact CD1-CE2 4.46Å; L164-F448 HydrophobicContact CD2-CD2 3.82Å; L164-F448 HydrophobicContact CD2-CE2 3.48Å; L164-F448 VanDerWaalsContact CD2-CE2 3.48Å; L164-F448 HydrophobicContact CD2-CZ 4.39Å; P167-F448 WeakPolarHBondContact CA-O 3.46Å; F168-F448 HydrophobicContact CB-CD1 3.99Å; F168-F448 HydrophobicContact CB-CE1 3.48Å; F168-F448 VanDerWaalsContact CB-CE1 3.48Å; F168-F448 HydrophobicContact CB-CE2 4.13Å; F168-F448 HydrophobicContact CB-CZ 3.54Å; F168-F448 HydrophobicContact CD1-CD1 4.31Å; F168-F448 AromaticContact CD1-CE1 3.59Å; F168-F448 HydrophobicContact CD1-CE1 3.59Å; F168-F448 HydrophobicContact CD1-CZ 4.26Å; F168-F448 AromaticContact CG-CE1 3.71Å; F168-F448 HydrophobicContact CG-CE1 3.71Å; F168-F448 AromaticContact CG-CZ 3.93Å; F168-F448 HydrophobicContact CG-CZ 3.93Å; F168-F448 PolarHBondContact N-O 3.45Å; F168-F448 PolarHBondContact O-N 3.18Å; F170-F448 AromaticContact CE2-CD1 3.78Å; F170-F448 HydrophobicContact CE2-CD1 3.78Å; F170-F448 HydrophobicContact CE2-CE1 4.11Å; F170-F448 AromaticContact CZ-CD1 3.77Å; F170-F448 HydrophobicContact CZ-CD1 3.77Å; F170-F448 AromaticContact CZ-CE1 3.69Å; F170-F448 HydrophobicContact CZ-CE1 3.69Å; L175-F448 HydrophobicContact CD1-CE1 4.12Å; L175-F448 HydrophobicContact CD1-CZ 3.88Å; L175-F448 HydrophobicContact CD2-CE1 3.94Å; L175-F448 HydrophobicContact CD2-CZ 4.3Å; L196-F448 HydrophobicContact CB-CB 4.24Å; L196-F448 HydrophobicContact CB-CD1 4.36Å; L196-F448 HydrophobicContact CB-CD2 3.77Å; L196-F448 HydrophobicContact CB-CE2 4.15Å; L196-F448 HydrophobicContact CB-CG 3.89Å; L196-F448 HydrophobicContact CD1-CD1 4.35Å; L196-F448 HydrophobicContact CD1-CD2 4.32Å; L196-F448 HydrophobicContact CD1-CE1 3.94Å; L196-F448 HydrophobicContact CD1-CE2 3.89Å; L196-F448 HydrophobicContact CD1-CZ 3.7Å; L196-F448 HydrophobicContact CD2-CD2 4.36Å; L196-F448 HydrophobicContact CD2-CE2 4.03Å; L196-F448 HydrophobicContact CG-CD2 4.36Å; L196-F448 HydrophobicContact CG-CE2 4.24Å; L197-F448 WeakPolarHBondContact O-CA 3.49Å; L197-F448 WeakPolarHBondContact O-CB 3.27Å; F448-I469 HydrophobicContact CE2-CD1 4Å; F448-I469 HydrophobicContact CE2-CG2 4.45Å; F448-I469 HydrophobicContact CZ-CG2 4.12Å
449	K	94.5	Very high	91.9	Very high	82 Å²	82	37 Å²	37	36%	0.357	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-12.9	-166.3	-175.4	170.7	175.2	-173.8	0	115.3	L164 P167 L197 D199	L164-K449 WeakPolarHBondContact CB-O 3.5Å; L164-K449 PolarHBondContact N-O 3.43Å; P167-K449 HydrophobicContact CB-CB 4.43Å; P167-K449 HydrophobicContact CB-CG 4.47Å; P167-K449 HydrophobicContact CG-CD 4.16Å; P167-K449 HydrophobicContact CG-CG 4.19Å; L197-K449 PolarHBondContact O-N 3.36Å; D199-K449 HydrophobicContact CB-CB 4.07Å; D199-K449 WeakPolarHBondContact OD1-CD 3.28Å; D199-K449 IonicContact OD1-NZ 3.62Å
450	A	95.1	Very high	91.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.4	170.1	0	0	0	0	0	110	A162 L196 L197 L203 L205	A162-A450 CarbonylContact O-C 3.6Å; A162-A450 WeakPolarHBondContact O-CA 3.45Å; A162-A450 WeakPolarHBondContact O-CB 3.44Å; L196-A450 CarbonylContact C-O 3.48Å; L197-A450 HydrophobicContact CB-CB 4.17Å; L197-A450 HydrophobicContact CD1-CB 4.14Å; L197-A450 HydrophobicContact CG-CB 4.36Å; L197-A450 PolarHBondContact N-O 3Å; L203-A450 HydrophobicContact CD2-CB 4.17Å; L205-A450 HydrophobicContact CD2-CB 3.8Å
451	L	95.9	Very high	92.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.1	165.7	176.8	150.6	0	0	0	107.4	W112 A161 A162 L164 I194 L196 F467 I469	W112-L451 HydrophobicContact CH2-CD2 3.46Å; W112-L451 VanDerWaalsContact CH2-CD2 3.46Å; W112-L451 HydrophobicContact CZ2-CD2 4.42Å; W112-L451 HydrophobicContact CZ3-CD2 3.89Å; A161-L451 CarbonylContact C-O 3.53Å; A161-L451 WeakPolarHBondContact CA-O 3.47Å; A161-L451 WeakPolarHBondContact CB-O 3.15Å; A162-L451 PolarHBondContact N-O 2.9Å; A162-L451 PolarHBondContact O-N 3.35Å; L164-L451 HydrophobicContact CD1-CB 4.37Å; I194-L451 HydrophobicContact CB-CD1 4.4Å; I194-L451 HydrophobicContact CB-CG 4.42Å; I194-L451 HydrophobicContact CD1-CD1 4.08Å; I194-L451 HydrophobicContact CG2-CD1 4.18Å; I194-L451 HydrophobicContact CG2-CD2 4.11Å; I194-L451 HydrophobicContact CG2-CG 4.27Å; L196-L451 HydrophobicContact CD2-CB 4.39Å; L196-L451 HydrophobicContact CD2-CD1 4.11Å; L196-L451 HydrophobicContact CD2-CG 4.31Å; L451-F467 HydrophobicContact CD1-CD1 4.12Å; L451-F467 HydrophobicContact CD2-CD1 4.34Å; L451-F467 HydrophobicContact CD2-CE1 4.37Å; L451-I469 HydrophobicContact CD1-CD1 4.1Å
452	G	95.1	Very high	92.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.6	178.4	0	0	0	0	0	112.5	I160 K195	I160-G452 CarbonylContact O-C 3.49Å; I160-G452 WeakPolarHBondContact O-CA 3.2Å; K195-G452 PolarHBondContact N-O 3.02Å; K195-G452 PolarHBondContact O-N 3.44Å
453	L	95.3	Very high	92.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	110.8	168.1	-64	157.8	0	0	0	106.7	W112 W133 L149 A159 I160 I194 L455 F464 F467	W112-L453 HydrophobicContact CH2-CD1 4.3Å; W112-L453 HydrophobicContact CZ3-CD1 3.98Å; W112-L453 HydrophobicContact CZ3-CG 4.5Å; W133-L453 HydrophobicContact CH2-CB 3.87Å; W133-L453 HydrophobicContact CH2-CD1 3.86Å; W133-L453 HydrophobicContact CH2-CG 4.47Å; W133-L453 HydrophobicContact CZ2-CB 4.18Å; W133-L453 HydrophobicContact CZ3-CD1 4.15Å; L149-L453 HydrophobicContact CD2-CD1 3.53Å; A159-L453 VanDerWaalsContact CA-O 3.3Å; A159-L453 WeakPolarHBondContact CA-O 3.33Å; I160-L453 HydrophobicContact CG2-CB 4.09Å; I160-L453 HydrophobicContact CG2-CD1 4.09Å; I160-L453 PolarHBondContact N-O 3.22Å; I160-L453 PolarHBondContact O-N 3.48Å; I194-L453 HydrophobicContact CG2-CD2 3.59Å; I194-L453 HydrophobicContact CG2-CG 4.37Å; L453-L455 HydrophobicContact CB-CD1 4.3Å; L453-L455 HydrophobicContact CB-CG 4.39Å; L453-L455 HydrophobicContact CD2-CD1 4.28Å; L453-F464 HydrophobicContact CD2-CD1 4.09Å; L453-F464 HydrophobicContact CD2-CE1 3.91Å; L453-F464 HydrophobicContact CD2-CZ 4.43Å; L453-F467 HydrophobicContact CD1-CZ 4.03Å; L453-F467 HydrophobicContact CD2-CZ 4.43Å
454	E	93.2	Very high	92.8	Very high	11 Å²	11	26.5 Å²	26.5	5%	0.051	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	102.7	171.1	-169.4	-91.2	145.2	0	0	107.5	Y129 H158 A159 Y193 K195 F208 D210	Y129-E454 HydrophobicContact CE1-CG 3.67Å; Y129-E454 WeakPolarHBondContact CE1-OE1 3.07Å; Y129-E454 VanDerWaalsContact OH-CD 3.32Å; Y129-E454 PolarHBondContact OH-OE1 3.3Å; H158-E454 WeakPolarHBondContact O-CA 3.49Å; A159-E454 HydrophobicContact CB-CG 4.25Å; Y193-E454 VanDerWaalsContact CE2-O 3.32Å; Y193-E454 WeakPolarHBondContact CE2-O 3.3Å; K195-E454 HydrophobicContact CD-CB 4.31Å; K195-E454 IonicContact NZ-OE2 2.84Å; K195-E454 PolarHBondContact NZ-OE2 3.01Å; F208-E454 HydrophobicContact CE1-CB 3.81Å; F208-E454 HydrophobicContact CE2-CB 4.14Å; F208-E454 HydrophobicContact CZ-CB 3.53Å; D210-E454 WeakPolarHBondContact CA-OE2 3.21Å
455	L	92.8	Very high	93	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.6	-162.3	-61.2	179.4	0	0	0	110.8	W133 L151 H157 H158 Y193 L453 F464	W133-L455 HydrophobicContact CH2-CD1 4.27Å; L151-L455 HydrophobicContact CD1-CB 4.31Å; L151-L455 HydrophobicContact CD1-CD1 4.1Å; H157-L455 WeakPolarHBondContact CA-O 3.1Å; H158-L455 PolarHBondContact N-O 2.89Å; H158-L455 PolarHBondContact O-N 3.06Å; Y193-L455 HydrophobicContact CD1-CD2 4.33Å; Y193-L455 HydrophobicContact CD2-CD2 3.81Å; Y193-L455 HydrophobicContact CE1-CD2 4.31Å; Y193-L455 HydrophobicContact CE2-CD2 3.74Å; Y193-L455 HydrophobicContact CG-CD2 4.11Å; Y193-L455 WeakPolarHBondContact O-CD2 3.31Å; L453-L455 HydrophobicContact CB-CD1 4.3Å; L453-L455 HydrophobicContact CB-CG 4.39Å; L453-L455 HydrophobicContact CD2-CD1 4.28Å; L455-F464 HydrophobicContact CD1-CE1 4.22Å; L455-F464 HydrophobicContact CD1-CE2 4.11Å; L455-F464 HydrophobicContact CD1-CZ 3.46Å; L455-F464 VanDerWaalsContact CD1-CZ 3.46Å
456	W	89.8	Confident	93.1	Very high	107 Å²	107	19.4 Å²	19.4	41%	0.405	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.9	160.7	176.3	68.9	0	0	0	108.2	H157 C189 G190 G191 M458	H157-W456 AromaticContact CE1-CD1 3.83Å; H157-W456 AromaticContact CE1-CG 3.94Å; H157-W456 AromaticContact NE2-CD1 3.69Å; C189-W456 WeakPolarHBondContact SG-CZ3 3.45Å; G190-W456 VanDerWaalsContact CA-O 3.23Å; G190-W456 WeakPolarHBondContact CA-O 3.48Å; G191-W456 PolarHBondContact N-O 3.2Å; W456-M458 HydrophobicContact CH2-CG 4.34Å; W456-M458 HydrophobicContact CH2-SD 4.5Å; W456-M458 HydrophobicContact CZ2-CG 4.14Å; W456-M458 HydrophobicContact CZ2-SD 3.82Å
457	S	88.4	Confident	93.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.5	175.8	-177.4	0	0	0	0	111.3	A155 K156 T459	A155-S457 WeakPolarHBondContact CA-O 3.46Å; A155-S457 PolarHBondContact N-O 2.84Å; K156-S457 PolarHBondContact N-O 2.67Å; S457-T459 PolarHBondContact OG-N 2.89Å; S457-T459 VanDerWaalsContact OG-N 3.14Å; S457-T459 PolarHBondContact OG-O 3.36Å
458	M	90.3	Very high	93.4	Very high	89 Å²	89	15.6 Å²	15.6	44%	0.438	7%	0.07	S	C	.	.	S	Bend	trans	-79.4	-35.3	168	-66.1	-64.2	-71.7	0	0	111.6	R154 A155 C189 W456	R154-M458 VanDerWaalsContact CB-O 3.29Å; R154-M458 WeakPolarHBondContact CB-O 3.3Å; A155-M458 HydrophobicContact CB-CE 4.3Å; A155-M458 HydrophobicContact CB-SD 3.78Å; C189-M458 HydrophobicContact CB-CG 4.27Å; C189-M458 WeakPolarHBondContact O-CB 3.23Å; C189-M458 PolarHBondContact O-N 2.85Å; W456-M458 HydrophobicContact CH2-CG 4.34Å; W456-M458 HydrophobicContact CH2-SD 4.5Å; W456-M458 HydrophobicContact CZ2-CG 4.14Å; W456-M458 HydrophobicContact CZ2-SD 3.82Å
459	T	88.8	Confident	93.4	Very high	11 Å²	11	15.6 Å²	15.6	7%	0.067	7%	0.07	C	C	.	.	S	Bend	trans	-90.7	155	178.7	62.8	0	0	0	0	112.3	G186 D188 S457	G186-T459 PolarHBondContact O-OG1 3.48Å; D188-T459 HydrophobicContact CB-CG2 4.25Å; D188-T459 WeakPolarHBondContact OD2-CG2 3.25Å; S457-T459 PolarHBondContact OG-N 2.89Å; S457-T459 VanDerWaalsContact OG-N 3.14Å; S457-T459 PolarHBondContact OG-O 3.36Å
460	S	90.4	Very high	93.5	Very high	8 Å²	8	11.7 Å²	11.7	6%	0.056	5%	0.053	C	C	.	.			trans	-101.8	175.7	174.1	58.3	0	0	0	0	111	R154 I462	R154-S460 PolarHBondContact NE-OG 2.91Å; R154-S460 PolarHBondContact NH2-OG 2.65Å; S460-I462 VanDerWaalsContact C-N 3.27Å; S460-I462 PolarHBondContact O-N 3.15Å
461	D	92.1	Very high	93.4	Very high	14 Å²	14	11.8 Å²	11.8	8%	0.075	5%	0.054	C	C	.	.			trans	64.4	29.5	172.3	-58.3	-80	0	0	0	113.9	K139 V150 L151 K152 Q184 Y463	K139-D461 WeakPolarHBondContact CE-OD1 3.45Å; K139-D461 IonicContact NZ-OD1 3.35Å; K139-D461 IonicContact NZ-OD2 3.76Å; K139-D461 PolarHBondContact NZ-OD2 2.82Å; V150-D461 HydrophobicContact CG1-CB 4.38Å; L151-D461 WeakPolarHBondContact O-CA 3.26Å; L151-D461 PolarHBondContact O-N 3.2Å; K152-D461 WeakPolarHBondContact CD-OD1 3.14Å; K152-D461 WeakPolarHBondContact CE-OD1 3.47Å; K152-D461 IonicContact NZ-OD1 3.83Å; K152-D461 PolarHBondContact NZ-OD1 2.77Å; Q184-D461 HydrophobicContact CB-CB 4.25Å; Q184-D461 WeakPolarHBondContact CB-O 3.4Å; Q184-D461 WeakPolarHBondContact CG-O 3.48Å; Q184-D461 PolarHBondContact N-O 3.43Å; Q184-D461 PolarHBondContact NE2-O 3.03Å; D461-Y463 PolarHBondContact O-N 3.28Å
462	I	94.3	Very high	93.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	118.3	160.4	-47.1	-180	0	0	0	107.2	V150 L151 V181 F183 I187 A192 S460 F464	V150-I462 WeakPolarHBondContact CA-O 3.43Å; L151-I462 HydrophobicContact CB-CB 4.24Å; L151-I462 PolarHBondContact N-O 2.63Å; V181-I462 HydrophobicContact CG1-CG2 3.91Å; F183-I462 HydrophobicContact CD1-CD1 4.38Å; F183-I462 HydrophobicContact CD1-CG1 4.17Å; F183-I462 HydrophobicContact CD1-CG2 3.95Å; F183-I462 HydrophobicContact CE1-CD1 4.37Å; F183-I462 HydrophobicContact CE1-CG2 3.99Å; I187-I462 HydrophobicContact CD1-CD1 3.86Å; A192-I462 HydrophobicContact CB-CG2 4.03Å; S460-I462 VanDerWaalsContact C-N 3.27Å; S460-I462 PolarHBondContact O-N 3.15Å; I462-F464 HydrophobicContact CB-CE2 3.96Å; I462-F464 HydrophobicContact CB-CZ 4.37Å; I462-F464 HydrophobicContact CG2-CD2 4.27Å; I462-F464 HydrophobicContact CG2-CE1 4.35Å; I462-F464 HydrophobicContact CG2-CE2 3.5Å; I462-F464 HydrophobicContact CG2-CZ 3.54Å
463	Y	94.8	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.5	-179.9	166.9	-73.9	0	0	0	109.2	L138 D146 G148 V150 V181 N182 D461 D465 K487	L138-Y463 HydrophobicContact CD2-CD1 3.58Å; L138-Y463 HydrophobicContact CD2-CD2 3.66Å; L138-Y463 HydrophobicContact CD2-CE1 3.79Å; L138-Y463 HydrophobicContact CD2-CE2 3.87Å; L138-Y463 HydrophobicContact CD2-CG 3.53Å; L138-Y463 HydrophobicContact CG-CD1 4.37Å; L138-Y463 HydrophobicContact CG-CD2 4.05Å; L138-Y463 HydrophobicContact CG-CE1 4.1Å; L138-Y463 HydrophobicContact CG-CE2 3.76Å; L138-Y463 HydrophobicContact CG-CG 4.36Å; D146-Y463 PolarHBondContact OD2-OH 2.85Å; D146-Y463 VanDerWaalsContact OD2-OH 3.08Å; G148-Y463 VanDerWaalsContact CA-CE2 3.46Å; V150-Y463 HydrophobicContact CG2-CD2 3.74Å; V150-Y463 HydrophobicContact CG2-CG 4.38Å; V181-Y463 WeakPolarHBondContact CA-O 3.38Å; N182-Y463 HydrophobicContact CB-CD1 4.18Å; N182-Y463 PolarHBondContact N-O 3.32Å; N182-Y463 PolarHBondContact O-N 2.05Å; D461-Y463 PolarHBondContact O-N 3.28Å; Y463-D465 HydrophobicContact CD1-CB 4.49Å; Y463-D465 HydrophobicContact CE1-CB 3.6Å; Y463-D465 PolarHBondContact OH-OD2 2.65Å; Y463-K487 PolarHBondContact OH-NZ 2.84Å
464	F	95.8	Very high	93.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.8	179.8	-60.7	-95.5	0	0	0	110.3	W133 L149 L151 Y179 E180 V181 A192 L453 L455 I462 F467	W133-F464 HydrophobicContact CZ3-CD2 4.18Å; W133-F464 HydrophobicContact CZ3-CE2 4.12Å; L149-F464 HydrophobicContact CB-CB 4.38Å; L149-F464 PolarHBondContact N-O 2.66Å; L149-F464 PolarHBondContact O-N 3.31Å; L151-F464 HydrophobicContact CB-CE2 4.32Å; Y179-F464 HydrophobicContact CD2-CD1 4.29Å; Y179-F464 HydrophobicContact CE2-CD1 4.02Å; Y179-F464 HydrophobicContact CE2-CE1 4.33Å; E180-F464 WeakPolarHBondContact O-CA 3.34Å; V181-F464 HydrophobicContact CG2-CD1 4.01Å; V181-F464 HydrophobicContact CG2-CE1 4.13Å; A192-F464 HydrophobicContact CB-CE1 3.69Å; A192-F464 HydrophobicContact CB-CZ 3.69Å; L453-F464 HydrophobicContact CD2-CD1 4.09Å; L453-F464 HydrophobicContact CD2-CE1 3.91Å; L453-F464 HydrophobicContact CD2-CZ 4.43Å; L455-F464 HydrophobicContact CD1-CE1 4.22Å; L455-F464 HydrophobicContact CD1-CE2 4.11Å; L455-F464 HydrophobicContact CD1-CZ 3.46Å; L455-F464 VanDerWaalsContact CD1-CZ 3.46Å; I462-F464 HydrophobicContact CB-CE2 3.96Å; I462-F464 HydrophobicContact CB-CZ 4.37Å; I462-F464 HydrophobicContact CG2-CD2 4.27Å; I462-F464 HydrophobicContact CG2-CE1 4.35Å; I462-F464 HydrophobicContact CG2-CE2 3.5Å; I462-F464 HydrophobicContact CG2-CZ 3.54Å; F464-F467 HydrophobicContact CB-CE2 4.01Å; F464-F467 HydrophobicContact CB-CZ 3.71Å; F464-F467 HydrophobicContact CD1-CZ 4.27Å; F464-F467 HydrophobicContact CG-CZ 4.34Å
465	D	94.3	Very high	93	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	173.7	178.8	-167.9	25	0	0	0	113.5	T103 E180 Y463 F467 K487	T103-D465 WeakPolarHBondContact CA-OD1 3.25Å; E180-D465 PolarHBondContact N-O 3.02Å; E180-D465 PolarHBondContact O-N 3.03Å; Y463-D465 HydrophobicContact CD1-CB 4.49Å; Y463-D465 HydrophobicContact CE1-CB 3.6Å; Y463-D465 PolarHBondContact OH-OD2 2.65Å; D465-F467 VanDerWaalsContact C-N 3.3Å; D465-F467 PolarHBondContact O-N 3.41Å; D465-K487 IonicContact OD2-NZ 2.64Å; D465-K487 PolarHBondContact OD2-NZ 3.07Å
466	N	93.6	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.5	40	170.7	-72.3	-58.6	0	0	0	114.4	E102 T103 E180 I468 W479 S483 K487	E102-N466 CarbonylContact O-C 3.53Å; E102-N466 VanDerWaalsContact O-CA 3.3Å; E102-N466 WeakPolarHBondContact O-CA 3.3Å; E102-N466 PolarHBondContact O-N 3Å; T103-N466 WeakPolarHBondContact CG2-OD1 3.31Å; E180-N466 HydrophobicContact CG-CB 4.17Å; E180-N466 VanDerWaalsContact OE1-CB 3.25Å; E180-N466 WeakPolarHBondContact OE1-CB 3.36Å; E180-N466 PolarHBondContact OE1-ND2 2.92Å; N466-I468 PolarHBondContact O-N 3.38Å; N466-W479 PolarHBondContact O-NE1 3.39Å; N466-S483 VanDerWaalsContact CG-CB 3.46Å; N466-S483 VanDerWaalsContact CG-OG 3.3Å; N466-S483 VanDerWaalsContact ND2-CB 3.34Å; N466-S483 WeakPolarHBondContact ND2-CB 3.32Å; N466-S483 PolarHBondContact ND2-OG 3.02Å; N466-S483 WeakPolarHBondContact OD1-CB 3.37Å; N466-K487 PolarHBondContact ND2-NZ 3.25Å
467	F	95.8	Very high	93.2	Very high	2 Å²	2	23 Å²	23	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	118.3	173.4	-63.2	-81.3	0	0	0	110.2	F100 A101 E102 F104 W112 Q178 Y179 I194 L451 L453 F464 D465	F100-F467 HydrophobicContact CD1-CB 3.95Å; F100-F467 HydrophobicContact CE1-CB 3.73Å; F100-F467 HydrophobicContact CE1-CG 4.42Å; A101-F467 CarbonylContact C-O 3.59Å; A101-F467 VanDerWaalsContact CA-O 3.26Å; A101-F467 WeakPolarHBondContact CA-O 3.39Å; E102-F467 HydrophobicContact CB-CB 4.25Å; E102-F467 HydrophobicContact CB-CD2 4.43Å; E102-F467 PolarHBondContact N-O 3.39Å; E102-F467 PolarHBondContact O-N 2.98Å; F104-F467 AromaticContact CE2-CD2 3.84Å; F104-F467 HydrophobicContact CE2-CD2 3.84Å; F104-F467 AromaticContact CE2-CE2 3.76Å; F104-F467 HydrophobicContact CE2-CE2 3.76Å; F104-F467 HydrophobicContact CZ-CD2 4.05Å; F104-F467 AromaticContact CZ-CE2 3.85Å; F104-F467 HydrophobicContact CZ-CE2 3.85Å; W112-F467 HydrophobicContact CH2-CD2 4.13Å; W112-F467 AromaticContact CH2-CE2 3.86Å; W112-F467 HydrophobicContact CH2-CE2 3.86Å; W112-F467 HydrophobicContact CH2-CZ 4.18Å; W112-F467 AromaticContact CZ2-CD2 3.96Å; W112-F467 HydrophobicContact CZ2-CD2 3.96Å; W112-F467 HydrophobicContact CZ2-CE2 4.03Å; Q178-F467 CarbonylContact O-C 3.35Å; Q178-F467 WeakPolarHBondContact O-CA 3.25Å; Y179-F467 HydrophobicContact CD2-CD1 4.08Å; Y179-F467 AromaticContact CD2-CE1 3.52Å; Y179-F467 HydrophobicContact CD2-CE1 3.52Å; Y179-F467 HydrophobicContact CD2-CZ 4.24Å; Y179-F467 HydrophobicContact CE2-CE1 4.24Å; Y179-F467 AromaticContact CG-CD1 3.83Å; Y179-F467 HydrophobicContact CG-CD1 3.83Å; Y179-F467 AromaticContact CG-CE1 3.76Å; Y179-F467 HydrophobicContact CG-CE1 3.76Å; I194-F467 HydrophobicContact CG2-CD1 4.25Å; I194-F467 HydrophobicContact CG2-CE1 3.63Å; L451-F467 HydrophobicContact CD1-CD1 4.12Å; L451-F467 HydrophobicContact CD2-CD1 4.34Å; L451-F467 HydrophobicContact CD2-CE1 4.37Å; L453-F467 HydrophobicContact CD1-CZ 4.03Å; L453-F467 HydrophobicContact CD2-CZ 4.43Å; F464-F467 HydrophobicContact CB-CE2 4.01Å; F464-F467 HydrophobicContact CB-CZ 3.71Å; F464-F467 HydrophobicContact CD1-CZ 4.27Å; F464-F467 HydrophobicContact CG-CZ 4.34Å; D465-F467 VanDerWaalsContact C-N 3.3Å; D465-F467 PolarHBondContact O-N 3.41Å
468	I	95.6	Very high	93.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.1	173.7	-173.4	169.6	0	0	0	111.6	V98 F100 Q178 N466 V475 W479	V98-I468 HydrophobicContact CG1-CD1 4.49Å; V98-I468 HydrophobicContact CG1-CG1 4.1Å; V98-I468 HydrophobicContact CG2-CD1 4.44Å; F100-I468 WeakPolarHBondContact O-CA 3.36Å; Q178-I468 HydrophobicContact CB-CG2 3.75Å; Q178-I468 HydrophobicContact CG-CG2 4.28Å; Q178-I468 PolarHBondContact N-O 2.91Å; Q178-I468 PolarHBondContact O-N 3.38Å; N466-I468 PolarHBondContact O-N 3.38Å; I468-V475 HydrophobicContact CD1-CG1 4.32Å; I468-W479 HydrophobicContact CB-CG 4.48Å; I468-W479 HydrophobicContact CD1-CB 3.96Å; I468-W479 HydrophobicContact CD1-CD2 3.79Å; I468-W479 HydrophobicContact CD1-CE3 4.1Å; I468-W479 HydrophobicContact CD1-CG 3.76Å; I468-W479 HydrophobicContact CG2-CG 4.22Å
469	I	96.5	Very high	93.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.5	176.1	-56.2	-178.3	0	0	0	109	V98 Y99 F100 L164 L175 V176 V177 L196 F448 L451	V98-I469 WeakPolarHBondContact CG1-O 3.32Å; Y99-I469 HydrophobicContact CD2-CG2 4.48Å; Y99-I469 PolarHBondContact N-O 3.47Å; F100-I469 HydrophobicContact CB-CB 3.97Å; F100-I469 HydrophobicContact CB-CD1 3.92Å; F100-I469 HydrophobicContact CB-CG1 3.91Å; F100-I469 PolarHBondContact O-N 3.01Å; L164-I469 HydrophobicContact CD1-CD1 4.34Å; L164-I469 HydrophobicContact CD2-CD1 4.5Å; L175-I469 HydrophobicContact CD1-CG2 3.86Å; V176-I469 WeakPolarHBondContact O-CA 3.43Å; V177-I469 HydrophobicContact CG1-CG1 4.24Å; V177-I469 HydrophobicContact CG2-CG1 4.25Å; V177-I469 HydrophobicContact CG2-CG2 4.27Å; L196-I469 HydrophobicContact CD2-CD1 4.07Å; F448-I469 HydrophobicContact CE2-CD1 4Å; F448-I469 HydrophobicContact CE2-CG2 4.45Å; F448-I469 HydrophobicContact CZ-CG2 4.12Å; L451-I469 HydrophobicContact CD1-CD1 4.1Å
470	T	95.3	Very high	93.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	162.8	-173.8	-177.9	0	0	0	0	111.6	D97 V176 H472 V475 A476	D97-T470 PolarHBondContact O-OG1 2.85Å; V176-T470 WeakPolarHBondContact CA-O 3.33Å; V176-T470 HydrophobicContact CB-CG2 4.06Å; V176-T470 WeakPolarHBondContact CB-O 3.5Å; V176-T470 HydrophobicContact CG1-CG2 4.46Å; V176-T470 PolarHBondContact N-O 2.73Å; V176-T470 PolarHBondContact O-N 3.38Å; T470-H472 VanDerWaalsContact C-N 3.35Å; T470-H472 WeakPolarHBondContact CG2-O 3.23Å; T470-H472 PolarHBondContact OG1-N 3.47Å; T470-V475 HydrophobicContact CG2-CB 4.22Å; T470-V475 HydrophobicContact CG2-CG1 4.45Å; T470-A476 HydrophobicContact CG2-CB 4.22Å
471	S	93.9	Very high	93.7	Very high	1 Å²	1	28 Å²	28	1%	0.007	13%	0.133	C	C	.	.	S	Bend	trans	-87.3	2.2	173.5	-55.2	0	0	0	0	113.7	Y99 E173 P174	Y99-S471 WeakPolarHBondContact CE2-OG 3.23Å; Y99-S471 PolarHBondContact OH-OG 3.46Å; Y99-S471 VanDerWaalsContact OH-OG 3.09Å; E173-S471 VanDerWaalsContact OE2-CB 3.29Å; E173-S471 WeakPolarHBondContact OE2-CB 3.2Å; E173-S471 PolarHBondContact OE2-OG 2.68Å; P174-S471 WeakPolarHBondContact CG-O 3.23Å; P174-S471 WeakPolarHBondContact O-CA 3.42Å
472	H	93.4	Very high	93.6	Very high	105 Å²	105	31.8 Å²	31.8	49%	0.486	15%	0.153	S	C	.	.			trans	-137.4	120	-171.8	-62.5	-36.9	0	0	0	113.1	T470 E474 V475 A476	T470-H472 VanDerWaalsContact C-N 3.35Å; T470-H472 WeakPolarHBondContact CG2-O 3.23Å; T470-H472 PolarHBondContact OG1-N 3.47Å; H472-E474 VanDerWaalsContact C-N 3.29Å; H472-E474 PolarHBondContact O-N 2.88Å; H472-V475 HydrophobicContact CB-CB 4.5Å; H472-V475 HydrophobicContact CB-CG2 3.93Å; H472-V475 WeakPolarHBondContact O-CB 3.34Å; H472-V475 PolarHBondContact O-N 2.78Å; H472-A476 PolarHBondContact O-N 3.06Å
473	K	92.3	Very high	93.3	Very high	71 Å²	71	31.7 Å²	31.7	31%	0.309	15%	0.153	S	C	.	.	H	α-helix	trans	-58.2	-39.6	179.4	-163.7	-167.5	179.3	-61.8	0	112.3	V176 V270 V475 A476 D477	V176-K473 HydrophobicContact CG2-CB 4.41Å; V270-K473 HydrophobicContact CG2-CD 4.37Å; V270-K473 HydrophobicContact CG2-CG 4.26Å; K473-V475 PolarHBondContact O-N 2.63Å; K473-V475 VanDerWaalsContact O-N 3.12Å; K473-A476 PolarHBondContact O-N 2.83Å; K473-D477 IonicContact NZ-OD1 3.66Å; K473-D477 PolarHBondContact NZ-OD1 3.5Å; K473-D477 IonicContact NZ-OD2 2.67Å; K473-D477 PolarHBondContact NZ-OD2 2.88Å; K473-D477 WeakPolarHBondContact O-CB 3.17Å; K473-D477 VanDerWaalsContact O-CG 3.25Å; K473-D477 PolarHBondContact O-N 2.93Å
474	E	93	Very high	93.1	Very high	122 Å²	122	32.1 Å²	32.1	57%	0.57	16%	0.155	S	C	*	.	H	α-helix	trans	-54.4	-31.8	175.8	-69	-176.9	-141.6	0	0	114.2	H472 R478	H472-E474 VanDerWaalsContact C-N 3.29Å; H472-E474 PolarHBondContact O-N 2.88Å; E474-R478 WeakPolarHBondContact O-CB 3.38Å; E474-R478 VanDerWaalsContact O-CG 3.27Å; E474-R478 WeakPolarHBondContact O-CG 3.37Å; E474-R478 PolarHBondContact O-N 2.81Å; E474-R478 VanDerWaalsContact O-N 3.16Å; E474-R478 IonicContact OE2-CZ 3.65Å; E474-R478 IonicContact OE2-NH1 2.63Å; E474-R478 IonicContact OE2-NH2 2.73Å; E474-R478 PolarHBondContact OE2-NH2 3.19Å
475	V	93.1	Very high	92.8	Very high	13 Å²	13	33 Å²	33	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-75.9	-42	179.5	178.3	0	0	0	0	110	T95 V98 I468 T470 H472 K473 W479	T95-V475 WeakPolarHBondContact O-CG2 3.47Å; V98-V475 HydrophobicContact CG2-CG1 3.99Å; I468-V475 HydrophobicContact CD1-CG1 4.32Å; T470-V475 HydrophobicContact CG2-CB 4.22Å; T470-V475 HydrophobicContact CG2-CG1 4.45Å; H472-V475 HydrophobicContact CB-CB 4.5Å; H472-V475 HydrophobicContact CB-CG2 3.93Å; H472-V475 WeakPolarHBondContact O-CB 3.34Å; H472-V475 PolarHBondContact O-N 2.78Å; K473-V475 PolarHBondContact O-N 2.63Å; K473-V475 VanDerWaalsContact O-N 3.12Å; V475-W479 VanDerWaalsContact O-CB 3.31Å; V475-W479 WeakPolarHBondContact O-CB 3.38Å; V475-W479 PolarHBondContact O-N 2.9Å
476	A	93.5	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-38.8	174.4	0	0	0	0	0	112.3	V176 Q178 T470 H472 K473 W479 A480	V176-A476 HydrophobicContact CG1-CB 3.77Å; Q178-A476 PolarHBondContact NE2-O 2.82Å; Q178-A476 PolarHBondContact OE1-O 2.81Å; T470-A476 HydrophobicContact CG2-CB 4.22Å; H472-A476 PolarHBondContact O-N 3.06Å; K473-A476 PolarHBondContact O-N 2.83Å; A476-W479 PolarHBondContact O-N 2.67Å; A476-A480 VanDerWaalsContact O-CB 3.3Å; A476-A480 WeakPolarHBondContact O-CB 3.46Å; A476-A480 PolarHBondContact O-N 2.82Å
477	D	93.2	Very high	92.2	Very high	45 Å²	45	35.6 Å²	35.6	24%	0.241	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-40.8	178.4	-69.6	-18	0	0	0	112.2	K473 S481	K473-D477 IonicContact NZ-OD1 3.66Å; K473-D477 PolarHBondContact NZ-OD1 3.5Å; K473-D477 IonicContact NZ-OD2 2.67Å; K473-D477 PolarHBondContact NZ-OD2 2.88Å; K473-D477 WeakPolarHBondContact O-CB 3.17Å; K473-D477 VanDerWaalsContact O-CG 3.25Å; K473-D477 PolarHBondContact O-N 2.93Å; D477-S481 WeakPolarHBondContact O-CB 3.35Å; D477-S481 PolarHBondContact O-N 3.07Å; D477-S481 PolarHBondContact O-OG 3.16Å
478	R	92.2	Very high	91.8	Very high	135 Å²	135	40.3 Å²	40.3	51%	0.509	20%	0.198	S	C	.	.	H	α-helix	trans	-65.5	-48.2	172.9	-72.7	173.4	-167.2	131.1	16.2	110.9	E474 A480 S481 D482	E474-R478 WeakPolarHBondContact O-CB 3.38Å; E474-R478 VanDerWaalsContact O-CG 3.27Å; E474-R478 WeakPolarHBondContact O-CG 3.37Å; E474-R478 PolarHBondContact O-N 2.81Å; E474-R478 VanDerWaalsContact O-N 3.16Å; E474-R478 IonicContact OE2-CZ 3.65Å; E474-R478 IonicContact OE2-NH1 2.63Å; E474-R478 IonicContact OE2-NH2 2.73Å; E474-R478 PolarHBondContact OE2-NH2 3.19Å; R478-A480 VanDerWaalsContact C-N 3.33Å; R478-A480 PolarHBondContact O-N 2.8Å; R478-S481 WeakPolarHBondContact O-CA 3.32Å; R478-S481 WeakPolarHBondContact O-CB 3.33Å; R478-S481 PolarHBondContact O-N 2.9Å; R478-D482 PolarHBondContact O-N 3.1Å
479	W	92.2	Very high	91.3	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.045	23%	0.225	C	C	.	.	H	α-helix	trans	-55.1	-46.7	176	-179.5	-86.1	0	0	0	112.1	P92 A94 A101 T103 N466 I468 V475 A476 S481 D482 S483	P92-W479 HydrophobicContact CB-CD2 4.18Å; P92-W479 HydrophobicContact CB-CE3 3.76Å; P92-W479 HydrophobicContact CB-CH2 4.25Å; P92-W479 HydrophobicContact CB-CZ3 3.78Å; P92-W479 HydrophobicContact CG-CD2 4.17Å; P92-W479 HydrophobicContact CG-CE3 4.06Å; P92-W479 HydrophobicContact CG-CH2 3.77Å; P92-W479 HydrophobicContact CG-CZ2 3.9Å; P92-W479 HydrophobicContact CG-CZ3 3.84Å; P92-W479 VanDerWaalsContact O-CZ3 3.29Å; P92-W479 WeakPolarHBondContact O-CZ3 3.21Å; A94-W479 HydrophobicContact CB-CZ3 4.04Å; A101-W479 HydrophobicContact CB-CH2 4Å; A101-W479 HydrophobicContact CB-CZ2 4.39Å; T103-W479 HydrophobicContact CG2-CH2 3.58Å; T103-W479 HydrophobicContact CG2-CZ2 3.42Å; T103-W479 VanDerWaalsContact CG2-CZ2 3.42Å; N466-W479 PolarHBondContact O-NE1 3.39Å; I468-W479 HydrophobicContact CB-CG 4.48Å; I468-W479 HydrophobicContact CD1-CB 3.96Å; I468-W479 HydrophobicContact CD1-CD2 3.79Å; I468-W479 HydrophobicContact CD1-CE3 4.1Å; I468-W479 HydrophobicContact CD1-CG 3.76Å; I468-W479 HydrophobicContact CG2-CG 4.22Å; V475-W479 VanDerWaalsContact O-CB 3.31Å; V475-W479 WeakPolarHBondContact O-CB 3.38Å; V475-W479 PolarHBondContact O-N 2.9Å; A476-W479 PolarHBondContact O-N 2.67Å; W479-S481 VanDerWaalsContact C-N 3.27Å; W479-S481 PolarHBondContact O-N 2.77Å; W479-D482 PolarHBondContact O-N 3.01Å; W479-S483 PolarHBondContact O-N 3.3Å; W479-S483 PolarHBondContact O-OG 3.08Å
480	A	92.8	Very high	90.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-29.1	174.8	0	0	0	0	0	114	L266 A476 R478 W484 G485	L266-A480 HydrophobicContact CD1-CB 4.42Å; L266-A480 HydrophobicContact CD2-CB 3.48Å; L266-A480 VanDerWaalsContact CD2-CB 3.48Å; A476-A480 VanDerWaalsContact O-CB 3.3Å; A476-A480 WeakPolarHBondContact O-CB 3.46Å; A476-A480 PolarHBondContact O-N 2.82Å; R478-A480 VanDerWaalsContact C-N 3.33Å; R478-A480 PolarHBondContact O-N 2.8Å; A480-W484 CarbonylContact O-C 3.36Å; A480-W484 WeakPolarHBondContact O-CB 3.2Å; A480-W484 PolarHBondContact O-N 3.44Å; A480-W484 VanDerWaalsContact O-N 3.15Å; A480-G485 PolarHBondContact O-N 2.88Å
481	S	91.3	Very high	90.3	Very high	65 Å²	65	47.5 Å²	47.5	46%	0.455	24%	0.238	S	C	.	.	H	α-helix	trans	-74.9	-38.3	176.4	-57	0	0	0	0	111.2	D477 R478 W479	D477-S481 WeakPolarHBondContact O-CB 3.35Å; D477-S481 PolarHBondContact O-N 3.07Å; D477-S481 PolarHBondContact O-OG 3.16Å; R478-S481 WeakPolarHBondContact O-CA 3.32Å; R478-S481 WeakPolarHBondContact O-CB 3.33Å; R478-S481 PolarHBondContact O-N 2.9Å; W479-S481 VanDerWaalsContact C-N 3.27Å; W479-S481 PolarHBondContact O-N 2.77Å
482	D	89.3	Confident	89.7	Confident	93 Å²	93	50.5 Å²	50.5	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-73.9	-35.5	177.2	-67.5	-26.8	0	0	0	112.5	P92 R478 W479 L486	P92-D482 HydrophobicContact CB-CB 4.06Å; R478-D482 PolarHBondContact O-N 3.1Å; W479-D482 PolarHBondContact O-N 3.01Å; D482-L486 VanDerWaalsContact O-CD1 3.26Å; D482-L486 WeakPolarHBondContact O-CD1 3.06Å; D482-L486 WeakPolarHBondContact O-CG 3.1Å
483	S	88	Confident	89.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-83.6	177.9	78.8	0	0	0	0	112.8	E180 N466 W479 G485 L486 K487	E180-S483 PolarHBondContact OE1-OG 3.19Å; N466-S483 VanDerWaalsContact CG-CB 3.46Å; N466-S483 VanDerWaalsContact CG-OG 3.3Å; N466-S483 VanDerWaalsContact ND2-CB 3.34Å; N466-S483 WeakPolarHBondContact ND2-CB 3.32Å; N466-S483 PolarHBondContact ND2-OG 3.02Å; N466-S483 WeakPolarHBondContact OD1-CB 3.37Å; W479-S483 PolarHBondContact O-N 3.3Å; W479-S483 PolarHBondContact O-OG 3.08Å; S483-G485 VanDerWaalsContact C-N 3.25Å; S483-G485 PolarHBondContact O-N 2.72Å; S483-L486 WeakPolarHBondContact O-CB 3.44Å; S483-L486 PolarHBondContact O-N 3.48Å; S483-K487 PolarHBondContact O-N 2.9Å
484	W	91	Very high	88.4	Confident	9 Å²	9	50.4 Å²	50.4	3%	0.034	28%	0.277	C	S	.	.	H	α-helix	trans	-60	-33.5	-172.7	175.6	78.7	0	0	0	112.5	E180 T264 L266 D282 Q283 A480 L486 K487 K488	E180-W484 HydrophobicContact CG-CB 4.3Å; E180-W484 WeakPolarHBondContact OE1-CB 3.43Å; E180-W484 PolarHBondContact OE1-N 3.06Å; T264-W484 PolarHBondContact O-NE1 2.8Å; L266-W484 HydrophobicContact CB-CD2 3.91Å; L266-W484 HydrophobicContact CB-CE3 4.47Å; L266-W484 HydrophobicContact CB-CG 3.99Å; L266-W484 HydrophobicContact CB-CZ2 4.43Å; L266-W484 HydrophobicContact CD1-CB 4.29Å; L266-W484 HydrophobicContact CD1-CG 4.47Å; L266-W484 HydrophobicContact CD2-CD2 4.27Å; L266-W484 HydrophobicContact CD2-CE3 4.11Å; D282-W484 HydrophobicContact CB-CH2 3.58Å; D282-W484 HydrophobicContact CB-CZ2 3.52Å; D282-W484 WeakPolarHBondContact OD1-CZ2 3.33Å; Q283-W484 HydrophobicContact CG-CZ3 4.01Å; A480-W484 CarbonylContact O-C 3.36Å; A480-W484 WeakPolarHBondContact O-CB 3.2Å; A480-W484 PolarHBondContact O-N 3.44Å; A480-W484 VanDerWaalsContact O-N 3.15Å; W484-L486 VanDerWaalsContact C-N 3.32Å; W484-L486 PolarHBondContact O-N 2.94Å; W484-K487 PolarHBondContact O-N 3.1Å; W484-K488 HydrophobicContact CE3-CD 4.49Å; W484-K488 HydrophobicContact CH2-CD 3.53Å; W484-K488 VanDerWaalsContact CH2-NZ 3.28Å; W484-K488 HydrophobicContact CZ2-CD 3.58Å; W484-K488 HydrophobicContact CZ3-CD 3.99Å; W484-K488 VanDerWaalsContact O-CB 3.27Å; W484-K488 WeakPolarHBondContact O-CB 3.5Å; W484-K488 PolarHBondContact O-N 2.66Å
485	G	88.9	Confident	87.5	Confident	18 Å²	18	48.7 Å²	48.7	19%	0.186	27%	0.269	C	S	.	.	H	α-helix	trans	-55	-44.3	173.3	0	0	0	0	0	112.7	A480 S483 L489	A480-G485 PolarHBondContact O-N 2.88Å; S483-G485 VanDerWaalsContact C-N 3.25Å; S483-G485 PolarHBondContact O-N 2.72Å; G485-L489 WeakPolarHBondContact O-CB 3.47Å; G485-L489 VanDerWaalsContact O-CG 3.27Å; G485-L489 WeakPolarHBondContact O-CG 3.38Å; G485-L489 PolarHBondContact O-N 3.42Å
486	L	87.1	Confident	86.3	Confident	48 Å²	48	50.7 Å²	50.7	25%	0.251	28%	0.282	S	S	.	.	H	α-helix	trans	-67.6	-43.2	175.1	-63	-177.9	0	0	0	111.8	V87 Y89 D482 S483 W484 K488 L489 V490	V87-L486 HydrophobicContact CG1-CD2 4.27Å; Y89-L486 HydrophobicContact CD2-CD1 4.22Å; D482-L486 VanDerWaalsContact O-CD1 3.26Å; D482-L486 WeakPolarHBondContact O-CD1 3.06Å; D482-L486 WeakPolarHBondContact O-CG 3.1Å; S483-L486 WeakPolarHBondContact O-CB 3.44Å; S483-L486 PolarHBondContact O-N 3.48Å; W484-L486 VanDerWaalsContact C-N 3.32Å; W484-L486 PolarHBondContact O-N 2.94Å; L486-K488 VanDerWaalsContact C-N 3.34Å; L486-K488 PolarHBondContact O-N 3.45Å; L486-L489 PolarHBondContact O-N 2.92Å; L486-V490 WeakPolarHBondContact O-CG2 3.48Å; L486-V490 PolarHBondContact O-N 3.39Å
487	K	87	Confident	85.2	Confident	7 Å²	7	53 Å²	53	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-41.7	178.1	-50.8	-164.8	-162.3	-157.8	0	111.7	V143 D146 E180 Y463 D465 N466 S483 W484 V490 A491	V143-K487 HydrophobicContact CG2-CG 4.34Å; D146-K487 WeakPolarHBondContact OD1-CE 3.42Å; D146-K487 IonicContact OD1-NZ 2.72Å; D146-K487 PolarHBondContact OD1-NZ 2.87Å; D146-K487 WeakPolarHBondContact OD2-CE 2.99Å; D146-K487 IonicContact OD2-NZ 2.65Å; D146-K487 PolarHBondContact OD2-NZ 3.47Å; E180-K487 VanDerWaalsContact OE2-CD 3.29Å; E180-K487 WeakPolarHBondContact OE2-CD 3.45Å; E180-K487 WeakPolarHBondContact OE2-CE 3.21Å; E180-K487 IonicContact OE2-NZ 2.81Å; E180-K487 PolarHBondContact OE2-NZ 2.63Å; Y463-K487 PolarHBondContact OH-NZ 2.84Å; D465-K487 IonicContact OD2-NZ 2.64Å; D465-K487 PolarHBondContact OD2-NZ 3.07Å; N466-K487 PolarHBondContact ND2-NZ 3.25Å; S483-K487 PolarHBondContact O-N 2.9Å; W484-K487 PolarHBondContact O-N 3.1Å; K487-V490 PolarHBondContact O-N 2.86Å; K487-A491 WeakPolarHBondContact O-CB 3.47Å; K487-A491 PolarHBondContact O-N 3.16Å
488	K	88.1	Confident	84.2	Confident	101 Å²	101	57.1 Å²	57.1	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-42.4	176.1	-178.3	167.5	-176.3	166.4	0	112.2	W484 L486 A491 S492	W484-K488 HydrophobicContact CE3-CD 4.49Å; W484-K488 HydrophobicContact CH2-CD 3.53Å; W484-K488 VanDerWaalsContact CH2-NZ 3.28Å; W484-K488 HydrophobicContact CZ2-CD 3.58Å; W484-K488 HydrophobicContact CZ3-CD 3.99Å; W484-K488 VanDerWaalsContact O-CB 3.27Å; W484-K488 WeakPolarHBondContact O-CB 3.5Å; W484-K488 PolarHBondContact O-N 2.66Å; L486-K488 VanDerWaalsContact C-N 3.34Å; L486-K488 PolarHBondContact O-N 3.45Å; K488-A491 PolarHBondContact O-N 2.75Å; K488-S492 WeakPolarHBondContact O-CB 3.5Å; K488-S492 PolarHBondContact O-N 3.02Å; K488-S492 PolarHBondContact O-OG 2.99Å
489	L	86.1	Confident	83	Confident	111 Å²	111	58.3 Å²	58.3	58%	0.581	34%	0.336	S	S	*	.	H	α-helix	trans	-60.6	-49.1	173.7	-75.4	169.1	0	0	0	111	G485 L486 A491 S492 A493	G485-L489 WeakPolarHBondContact O-CB 3.47Å; G485-L489 VanDerWaalsContact O-CG 3.27Å; G485-L489 WeakPolarHBondContact O-CG 3.38Å; G485-L489 PolarHBondContact O-N 3.42Å; L486-L489 PolarHBondContact O-N 2.92Å; L489-A491 PolarHBondContact O-N 3.44Å; L489-S492 PolarHBondContact O-N 2.97Å; L489-S492 PolarHBondContact O-OG 3.39Å; L489-A493 WeakPolarHBondContact O-CB 3.48Å; L489-A493 PolarHBondContact O-N 2.86Å
490	V	85.5	Confident	82.1	Confident	27 Å²	27	60.1 Å²	60.1	16%	0.164	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-43.3	177.1	170.1	0	0	0	0	111.8	V143 L486 K487 A493 N494	V143-V490 HydrophobicContact CG2-CB 4.26Å; V143-V490 HydrophobicContact CG2-CG1 4.32Å; V143-V490 HydrophobicContact CG2-CG2 4.17Å; L486-V490 WeakPolarHBondContact O-CG2 3.48Å; L486-V490 PolarHBondContact O-N 3.39Å; K487-V490 PolarHBondContact O-N 2.86Å; V490-A493 PolarHBondContact O-N 2.84Å; V490-N494 WeakPolarHBondContact O-CB 3.25Å; V490-N494 PolarHBondContact O-N 3.2Å; V490-N494 PolarHBondContact O-ND2 3.1Å
491	A	84	Confident	81.1	Confident	14 Å²	14	65 Å²	65	12%	0.116	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-48.8	174.2	0	0	0	0	0	111.8	N141 K487 K488 L489 A493 N494 E495	N141-A491 HydrophobicContact CB-CB 4.29Å; K487-A491 WeakPolarHBondContact O-CB 3.47Å; K487-A491 PolarHBondContact O-N 3.16Å; K488-A491 PolarHBondContact O-N 2.75Å; L489-A491 PolarHBondContact O-N 3.44Å; A491-A493 VanDerWaalsContact C-N 3.27Å; A491-A493 PolarHBondContact O-N 2.8Å; A491-N494 CarbonylContact O-C 3.46Å; A491-N494 PolarHBondContact O-N 2.86Å; A491-N494 VanDerWaalsContact O-N 3.14Å; A491-E495 WeakPolarHBondContact O-CG 3.42Å; A491-E495 PolarHBondContact O-N 3.06Å
492	S	82.6	Confident	80.4	Confident	65 Å²	65	65.3 Å²	65.3	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-25.8	179.1	70.8	0	0	0	0	114.1	K488 L489	K488-S492 WeakPolarHBondContact O-CB 3.5Å; K488-S492 PolarHBondContact O-N 3.02Å; K488-S492 PolarHBondContact O-OG 2.99Å; L489-S492 PolarHBondContact O-N 2.97Å; L489-S492 PolarHBondContact O-OG 3.39Å
493	A	81.3	Confident	79.6	Confident	80 Å²	80	64.5 Å²	64.5	66%	0.661	36%	0.364	S	S	*	.	H	α-helix	trans	-80.3	-26.6	174.4	0	0	0	0	0	112.9	L489 V490 A491	L489-A493 WeakPolarHBondContact O-CB 3.48Å; L489-A493 PolarHBondContact O-N 2.86Å; V490-A493 PolarHBondContact O-N 2.84Å; A491-A493 VanDerWaalsContact C-N 3.27Å; A491-A493 PolarHBondContact O-N 2.8Å
494	N	76.9	Confident	79.1	Confident	93 Å²	93	68.9 Å²	68.9	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-87.4	-15.8	174.4	-67.2	-25.2	0	0	0	113.1	N141 V490 A491	N141-N494 VanDerWaalsContact OD1-CB 3.26Å; N141-N494 WeakPolarHBondContact OD1-CB 3.12Å; N141-N494 PolarHBondContact OD1-ND2 3.07Å; V490-N494 WeakPolarHBondContact O-CB 3.25Å; V490-N494 PolarHBondContact O-N 3.2Å; V490-N494 PolarHBondContact O-ND2 3.1Å; A491-N494 CarbonylContact O-C 3.46Å; A491-N494 PolarHBondContact O-N 2.86Å; A491-N494 VanDerWaalsContact O-N 3.14Å
495	E	74.4	Confident	78.4	Confident	87 Å²	87	70 Å²	70	41%	0.407	40%	0.396	S	S	.	.	S	Bend	trans	-57.6	126.1	173.6	-83.1	179.1	-131	0	0	109.7	K263 A491 G497	K263-E495 IonicContact NZ-OE1 3.5Å; K263-E495 PolarHBondContact NZ-OE1 2.82Å; K263-E495 IonicContact NZ-OE2 2.67Å; K263-E495 PolarHBondContact NZ-OE2 3.25Å; A491-E495 WeakPolarHBondContact O-CG 3.42Å; A491-E495 PolarHBondContact O-N 3.06Å; E495-G497 PolarHBondContact O-N 3.31Å
496	P	67.8	Low	78	Confident	54 Å²	54	69.2 Å²	69.2	35%	0.351	39%	0.388	S	S	.	.			trans	-64.1	104.7	-179.4	24.7	-32.4	0	0	0	108.7	Q501 M504	P496-Q501 HydrophobicContact CB-CG 4.39Å; P496-Q501 HydrophobicContact CG-CG 4.09Å; P496-Q501 WeakPolarHBondContact O-CG 3.39Å; P496-M504 HydrophobicContact CB-CE 3.67Å; P496-M504 HydrophobicContact CG-CE 4.06Å
497	G	70.3	Confident	77.7	Confident	50 Å²	50	73 Å²	73	52%	0.515	40%	0.404	S	S	.	.			trans	-54.2	154.8	-177.8	0	0	0	0	0	111.9	E495 F499 S500 Q501	E495-G497 PolarHBondContact O-N 3.31Å; G497-F499 CarbonylContact O-C 3.6Å; G497-F499 PolarHBondContact O-N 3.38Å; G497-S500 WeakPolarHBondContact O-CA 3.38Å; G497-S500 WeakPolarHBondContact O-CB 3.17Å; G497-S500 PolarHBondContact O-N 3.03Å; G497-Q501 PolarHBondContact O-N 3.19Å
498	I	72.3	Confident	77.5	Confident	130 Å²	130	80 Å²	80	67%	0.667	44%	0.437	S	S	*	.	H	α-helix	trans	-43.4	-39	-165.4	-57.3	169.4	0	0	0	114	Q501 L502	I498-Q501 PolarHBondContact O-N 3.43Å; I498-L502 HydrophobicContact CG2-CD1 3.95Å; I498-L502 HydrophobicContact CG2-CG 4.34Å; I498-L502 WeakPolarHBondContact O-CB 3.18Å; I498-L502 VanDerWaalsContact O-CG 3.23Å; I498-L502 WeakPolarHBondContact O-CG 3.21Å; I498-L502 PolarHBondContact O-N 3.37Å
499	F	67.4	Low	77.5	Confident	161 Å²	161	81.8 Å²	81.8	71%	0.706	44%	0.441	S	S	*	.	H	α-helix	trans	-61.5	-41.1	175.4	-175.5	-94.7	0	0	0	114.1	G497 M503	G497-F499 CarbonylContact O-C 3.6Å; G497-F499 PolarHBondContact O-N 3.38Å; F499-M503 HydrophobicContact CE1-SD 4.11Å; F499-M503 VanDerWaalsContact O-CB 3.31Å; F499-M503 WeakPolarHBondContact O-CB 3.34Å; F499-M503 PolarHBondContact O-N 2.86Å
500	S	71.7	Confident	77.5	Confident	49 Å²	49	80.8 Å²	80.8	34%	0.343	44%	0.442	S	S	.	.	H	α-helix	trans	-70	-38.2	176.5	179.9	0	0	0	0	112.1	G497 M503 M504	G497-S500 WeakPolarHBondContact O-CA 3.38Å; G497-S500 WeakPolarHBondContact O-CB 3.17Å; G497-S500 PolarHBondContact O-N 3.03Å; S500-M503 PolarHBondContact O-N 2.7Å; S500-M504 PolarHBondContact O-N 3.47Å; S500-M504 VanDerWaalsContact OG-CE 3.3Å; S500-M504 WeakPolarHBondContact OG-CE 3.28Å
501	Q	73.4	Confident	77.5	Confident	103 Å²	103	86.3 Å²	86.3	48%	0.481	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-46.3	171.2	-80	173.7	-7.9	0	0	112.1	P496 G497 I498 M503 M504 A505	P496-Q501 HydrophobicContact CB-CG 4.39Å; P496-Q501 HydrophobicContact CG-CG 4.09Å; P496-Q501 WeakPolarHBondContact O-CG 3.39Å; G497-Q501 PolarHBondContact O-N 3.19Å; I498-Q501 PolarHBondContact O-N 3.43Å; Q501-M503 VanDerWaalsContact C-N 3.28Å; Q501-M503 PolarHBondContact O-N 2.86Å; Q501-M504 PolarHBondContact O-N 2.86Å; Q501-A505 VanDerWaalsContact O-CB 3.31Å; Q501-A505 WeakPolarHBondContact O-CB 3.17Å; Q501-A505 PolarHBondContact O-N 2.76Å
502	L	75.3	Confident	77.7	Confident	72 Å²	72	86.9 Å²	86.9	38%	0.377	46%	0.461	S	S	.	.	H	α-helix	trans	-58.4	-41.9	173.7	-71.6	166.3	0	0	0	111.2	I498 A506 Y516	I498-L502 HydrophobicContact CG2-CD1 3.95Å; I498-L502 HydrophobicContact CG2-CG 4.34Å; I498-L502 WeakPolarHBondContact O-CB 3.18Å; I498-L502 VanDerWaalsContact O-CG 3.23Å; I498-L502 WeakPolarHBondContact O-CG 3.21Å; I498-L502 PolarHBondContact O-N 3.37Å; L502-A506 WeakPolarHBondContact O-CB 3.49Å; L502-A506 PolarHBondContact O-N 3.4Å; L502-Y516 HydrophobicContact CB-CE2 4Å; L502-Y516 HydrophobicContact CD2-CE1 3.93Å; L502-Y516 HydrophobicContact CD2-CE2 4.12Å; L502-Y516 WeakPolarHBondContact CD2-OH 3.32Å; L502-Y516 WeakPolarHBondContact O-CE2 3.23Å
503	M	73.7	Confident	77.8	Confident	76 Å²	76	88.9 Å²	88.9	37%	0.374	46%	0.458	S	S	.	.	H	α-helix	trans	-67.6	-46.6	-179.7	-169.9	159.6	177.2	0	0	112.3	F499 S500 Q501 A506 E507 W513	F499-M503 HydrophobicContact CE1-SD 4.11Å; F499-M503 VanDerWaalsContact O-CB 3.31Å; F499-M503 WeakPolarHBondContact O-CB 3.34Å; F499-M503 PolarHBondContact O-N 2.86Å; S500-M503 PolarHBondContact O-N 2.7Å; Q501-M503 VanDerWaalsContact C-N 3.28Å; Q501-M503 PolarHBondContact O-N 2.86Å; M503-A506 PolarHBondContact O-N 2.8Å; M503-E507 PolarHBondContact O-N 3.34Å; M503-W513 HydrophobicContact CG-CH2 4.03Å; M503-W513 HydrophobicContact CG-CZ2 4.1Å; M503-W513 HydrophobicContact SD-CH2 4.49Å
504	M	76.8	Confident	78	Confident	91 Å²	91	90.5 Å²	90.5	45%	0.448	45%	0.454	S	S	.	.	H	α-helix	trans	-60.6	-45.2	174	-75.3	-172.3	-107	0	0	111.9	P496 S500 Q501 A506 E507 E508	P496-M504 HydrophobicContact CB-CE 3.67Å; P496-M504 HydrophobicContact CG-CE 4.06Å; S500-M504 PolarHBondContact O-N 3.47Å; S500-M504 VanDerWaalsContact OG-CE 3.3Å; S500-M504 WeakPolarHBondContact OG-CE 3.28Å; Q501-M504 PolarHBondContact O-N 2.86Å; M504-A506 PolarHBondContact O-N 2.79Å; M504-E507 PolarHBondContact O-N 3.09Å; M504-E508 PolarHBondContact O-N 3.36Å
505	A	75.7	Confident	78.5	Confident	33 Å²	33	89.4 Å²	89.4	27%	0.273	45%	0.448	S	S	.	.	H	α-helix	trans	-60.6	-34.1	177.4	0	0	0	0	0	112.5	Q501 R509 L512	Q501-A505 VanDerWaalsContact O-CB 3.31Å; Q501-A505 WeakPolarHBondContact O-CB 3.17Å; Q501-A505 PolarHBondContact O-N 2.76Å; A505-R509 WeakPolarHBondContact O-CB 3.46Å; A505-R509 PolarHBondContact O-N 2.98Å; A505-L512 HydrophobicContact CB-CD1 4.19Å
506	A	80	Confident	79.2	Confident	1 Å²	1	87.9 Å²	87.9	1%	0.008	44%	0.439	C	S	.	.	H	α-helix	trans	-82.5	-15.4	176.5	0	0	0	0	0	114.2	L502 M503 M504 R509 P510 L512 W513 Y516	L502-A506 WeakPolarHBondContact O-CB 3.49Å; L502-A506 PolarHBondContact O-N 3.4Å; M503-A506 PolarHBondContact O-N 2.8Å; M504-A506 PolarHBondContact O-N 2.79Å; A506-R509 CarbonylContact O-C 3.52Å; A506-P510 WeakPolarHBondContact O-CA 3.45Å; A506-L512 HydrophobicContact CB-CB 4Å; A506-W513 HydrophobicContact CB-CD2 3.93Å; A506-W513 HydrophobicContact CB-CG 4.01Å; A506-W513 HydrophobicContact CB-CZ2 4.08Å; A506-W513 VanDerWaalsContact O-CD1 3.26Å; A506-W513 PolarHBondContact O-NE1 2.92Å; A506-Y516 HydrophobicContact CB-CD2 4.34Å; A506-Y516 HydrophobicContact CB-CE2 3.79Å
507	E	81.8	Confident	80.1	Confident	127 Å²	127	89.5 Å²	89.5	59%	0.593	45%	0.448	S	S	*	.	H	α-helix	trans	-76	-41.9	165.3	-73.3	175.7	-179.4	0	0	110.9	M503 M504 R509	M503-E507 PolarHBondContact O-N 3.34Å; M504-E507 PolarHBondContact O-N 3.09Å; E507-R509 VanDerWaalsContact C-N 3.35Å
508	E	83.3	Confident	80.9	Confident	156 Å²	156	92.1 Å²	92.1	73%	0.729	45%	0.449	S	S	*	.	H	α-helix	trans	-64.8	-36.2	170.1	-68.3	-172.5	170	0	0	112.9	M504	M504-E508 PolarHBondContact O-N 3.36Å
509	R	87.3	Confident	81.5	Confident	137 Å²	137	90 Å²	90	52%	0.517	44%	0.442	S	S	.	.			trans	-129.8	83.1	-173.6	-62.4	-179.6	-172.9	-106.4	-4.1	110.9	A505 A506 E507 W511 L512	A505-R509 WeakPolarHBondContact O-CB 3.46Å; A505-R509 PolarHBondContact O-N 2.98Å; A506-R509 CarbonylContact O-C 3.52Å; E507-R509 VanDerWaalsContact C-N 3.35Å; R509-W511 PolarHBondContact O-N 2.85Å; R509-L512 HydrophobicContact CB-CD1 3.85Å; R509-L512 HydrophobicContact CB-CG 3.94Å; R509-L512 WeakPolarHBondContact O-CB 3.47Å; R509-L512 PolarHBondContact O-N 3.28Å
510	P	86	Confident	82.4	Confident	91 Å²	91	86.6 Å²	86.6	59%	0.591	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.9	-173.1	-30.8	36.9	0	0	0	116.4	A506 L512 W513	A506-P510 WeakPolarHBondContact O-CA 3.45Å; P510-L512 VanDerWaalsContact C-N 3.28Å; P510-L512 PolarHBondContact O-N 2.87Å; P510-W513 PolarHBondContact O-N 2.96Å
511	W	86.6	Confident	83.1	Confident	143 Å²	143	86 Å²	86	54%	0.542	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.2	175.5	59.8	-88	0	0	0	113.6	R509 W513 I514 I515	R509-W511 PolarHBondContact O-N 2.85Å; W511-W513 VanDerWaalsContact C-N 3.26Å; W511-W513 PolarHBondContact O-N 2.82Å; W511-I514 WeakPolarHBondContact O-CB 3.39Å; W511-I514 PolarHBondContact O-N 3.42Å; W511-I514 VanDerWaalsContact O-N 3.1Å; W511-I515 HydrophobicContact CE3-CD1 3.71Å; W511-I515 HydrophobicContact CZ3-CD1 3.52Å; W511-I515 PolarHBondContact O-N 3.41Å
512	L	86.4	Confident	83.7	Confident	26 Å²	26	85.4 Å²	85.4	14%	0.136	44%	0.436	C	S	.	.	H	α-helix	trans	-64.3	-30	175.6	-66.4	-179.2	0	0	0	112.2	A505 A506 R509 P510 I514 I515 Y516	A505-L512 HydrophobicContact CB-CD1 4.19Å; A506-L512 HydrophobicContact CB-CB 4Å; R509-L512 HydrophobicContact CB-CD1 3.85Å; R509-L512 HydrophobicContact CB-CG 3.94Å; R509-L512 WeakPolarHBondContact O-CB 3.47Å; R509-L512 PolarHBondContact O-N 3.28Å; P510-L512 VanDerWaalsContact C-N 3.28Å; P510-L512 PolarHBondContact O-N 2.87Å; L512-I514 VanDerWaalsContact C-N 3.26Å; L512-I514 PolarHBondContact O-N 3.26Å; L512-I515 HydrophobicContact CD2-CD1 4.38Å; L512-I515 PolarHBondContact O-N 2.75Å; L512-I515 VanDerWaalsContact O-N 3.1Å; L512-Y516 HydrophobicContact CB-CE1 4.33Å; L512-Y516 HydrophobicContact CB-CE2 4.19Å; L512-Y516 WeakPolarHBondContact O-CD1 3.4Å; L512-Y516 VanDerWaalsContact O-CG 3.27Å; L512-Y516 PolarHBondContact O-N 3.38Å
513	W	85.2	Confident	84.3	Confident	107 Å²	107	85 Å²	85	41%	0.405	44%	0.438	S	S	.	.	H	α-helix	trans	-57.5	-38.7	171.6	-73.6	108.6	0	0	0	112.5	M503 A506 P510 W511 I515 Y516 V517	M503-W513 HydrophobicContact CG-CH2 4.03Å; M503-W513 HydrophobicContact CG-CZ2 4.1Å; M503-W513 HydrophobicContact SD-CH2 4.49Å; A506-W513 HydrophobicContact CB-CD2 3.93Å; A506-W513 HydrophobicContact CB-CG 4.01Å; A506-W513 HydrophobicContact CB-CZ2 4.08Å; A506-W513 VanDerWaalsContact O-CD1 3.26Å; A506-W513 PolarHBondContact O-NE1 2.92Å; P510-W513 PolarHBondContact O-N 2.96Å; W511-W513 VanDerWaalsContact C-N 3.26Å; W511-W513 PolarHBondContact O-N 2.82Å; W513-I515 VanDerWaalsContact C-N 3.33Å; W513-Y516 PolarHBondContact O-N 2.8Å; W513-V517 WeakPolarHBondContact O-CB 3.49Å; W513-V517 VanDerWaalsContact O-CG2 3.24Å; W513-V517 WeakPolarHBondContact O-CG2 3.38Å; W513-V517 PolarHBondContact O-N 2.83Å
514	I	86.2	Confident	84.9	Confident	113 Å²	113	85.4 Å²	85.4	58%	0.579	45%	0.445	S	S	*	.	H	α-helix	trans	-64.6	-42.8	177.6	-54.3	176.7	0	0	0	109.6	W511 L512 L518	W511-I514 WeakPolarHBondContact O-CB 3.39Å; W511-I514 PolarHBondContact O-N 3.42Å; W511-I514 VanDerWaalsContact O-N 3.1Å; L512-I514 VanDerWaalsContact C-N 3.26Å; L512-I514 PolarHBondContact O-N 3.26Å; I514-L518 HydrophobicContact CG2-CD1 4.08Å; I514-L518 WeakPolarHBondContact O-CB 2.93Å; I514-L518 VanDerWaalsContact O-CG 3.28Å; I514-L518 WeakPolarHBondContact O-CG 3.25Å; I514-L518 PolarHBondContact O-N 2.97Å
515	I	87.3	Confident	85.3	Confident	71 Å²	71	82.9 Å²	82.9	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-64.1	-50.5	177	-63.3	-176.7	0	0	0	110.5	W511 L512 W513 V517 L518 T519	W511-I515 HydrophobicContact CE3-CD1 3.71Å; W511-I515 HydrophobicContact CZ3-CD1 3.52Å; W511-I515 PolarHBondContact O-N 3.41Å; L512-I515 HydrophobicContact CD2-CD1 4.38Å; L512-I515 PolarHBondContact O-N 2.75Å; L512-I515 VanDerWaalsContact O-N 3.1Å; W513-I515 VanDerWaalsContact C-N 3.33Å; I515-V517 VanDerWaalsContact C-N 3.31Å; I515-V517 PolarHBondContact O-N 2.71Å; I515-L518 CarbonylContact O-C 3.52Å; I515-L518 PolarHBondContact O-N 3.38Å; I515-T519 HydrophobicContact CG2-CG2 3.99Å; I515-T519 WeakPolarHBondContact O-CG2 3.48Å; I515-T519 PolarHBondContact O-N 3.49Å; I515-T519 PolarHBondContact O-OG1 2.98Å
516	Y	88.2	Confident	85.8	Confident	55 Å²	55	86.1 Å²	86.1	22%	0.216	45%	0.454	C	S	.	.	H	α-helix	trans	-62.7	-36.8	-179.4	-57.9	-17	0	0	0	112.6	L502 A506 L512 W513 L518 V520 G521	L502-Y516 HydrophobicContact CB-CE2 4Å; L502-Y516 HydrophobicContact CD2-CE1 3.93Å; L502-Y516 HydrophobicContact CD2-CE2 4.12Å; L502-Y516 WeakPolarHBondContact CD2-OH 3.32Å; L502-Y516 WeakPolarHBondContact O-CE2 3.23Å; A506-Y516 HydrophobicContact CB-CD2 4.34Å; A506-Y516 HydrophobicContact CB-CE2 3.79Å; L512-Y516 HydrophobicContact CB-CE1 4.33Å; L512-Y516 HydrophobicContact CB-CE2 4.19Å; L512-Y516 WeakPolarHBondContact O-CD1 3.4Å; L512-Y516 VanDerWaalsContact O-CG 3.27Å; L512-Y516 PolarHBondContact O-N 3.38Å; W513-Y516 PolarHBondContact O-N 2.8Å; Y516-L518 VanDerWaalsContact C-N 3.34Å; Y516-V520 WeakPolarHBondContact O-CA 3.38Å; Y516-V520 WeakPolarHBondContact O-CB 3.47Å; Y516-V520 PolarHBondContact O-N 2.01Å; Y516-G521 PolarHBondContact O-N 2.9Å
517	V	86.4	Confident	85.9	Confident	88 Å²	88	88.4 Å²	88.4	53%	0.533	47%	0.473	S	S	.	.	I	π-helix	trans	-64.7	-37.7	172.9	168	0	0	0	0	111.3	W513 I515 G521 L522	W513-V517 WeakPolarHBondContact O-CB 3.49Å; W513-V517 VanDerWaalsContact O-CG2 3.24Å; W513-V517 WeakPolarHBondContact O-CG2 3.38Å; W513-V517 PolarHBondContact O-N 2.83Å; I515-V517 VanDerWaalsContact C-N 3.31Å; I515-V517 PolarHBondContact O-N 2.71Å; V517-G521 CarbonylContact O-C 3.4Å; V517-G521 WeakPolarHBondContact O-CA 3.45Å; V517-G521 PolarHBondContact O-N 3.4Å; V517-L522 WeakPolarHBondContact O-CB 3.24Å; V517-L522 PolarHBondContact O-N 3.04Å
518	L	87.6	Confident	86	Confident	104 Å²	104	85 Å²	85	55%	0.545	46%	0.461	S	S	.	.	I	π-helix	trans	-77.1	-40.6	177.9	-71.3	171.3	0	0	0	113.7	I514 I515 Y516 L522	I514-L518 HydrophobicContact CG2-CD1 4.08Å; I514-L518 WeakPolarHBondContact O-CB 2.93Å; I514-L518 VanDerWaalsContact O-CG 3.28Å; I514-L518 WeakPolarHBondContact O-CG 3.25Å; I514-L518 PolarHBondContact O-N 2.97Å; I515-L518 CarbonylContact O-C 3.52Å; I515-L518 PolarHBondContact O-N 3.38Å; Y516-L518 VanDerWaalsContact C-N 3.34Å; L518-L522 HydrophobicContact CD2-CD1 4.02Å
519	T	84.8	Confident	85.9	Confident	86 Å²	86	83.4 Å²	83.4	53%	0.528	46%	0.456	S	S	.	.	I	π-helix	trans	-90.3	-27.2	-172.6	60.7	0	0	0	0	114	I515 P523	I515-T519 HydrophobicContact CG2-CG2 3.99Å; I515-T519 WeakPolarHBondContact O-CG2 3.48Å; I515-T519 PolarHBondContact O-N 3.49Å; I515-T519 PolarHBondContact O-OG1 2.98Å; T519-P523 WeakPolarHBondContact O-CG 3.36Å
520	V	85.8	Confident	85.3	Confident	89 Å²	89	84.6 Å²	84.6	54%	0.539	47%	0.465	S	S	.	.	I	π-helix	trans	-119	-52	-179.9	-174.2	0	0	0	0	111	Y516 L522 P523 V524	Y516-V520 WeakPolarHBondContact O-CA 3.38Å; Y516-V520 WeakPolarHBondContact O-CB 3.47Å; Y516-V520 PolarHBondContact O-N 2.01Å; V520-L522 PolarHBondContact O-N 2.98Å; V520-P523 WeakPolarHBondContact O-CD 3.39Å; V520-P523 WeakPolarHBondContact O-CG 3.48Å; V520-V524 HydrophobicContact CG1-CG2 4.38Å; V520-V524 WeakPolarHBondContact O-CB 3.46Å; V520-V524 VanDerWaalsContact O-CG2 3.25Å; V520-V524 WeakPolarHBondContact O-CG2 2.8Å; V520-V524 PolarHBondContact O-N 2.88Å; V520-V524 VanDerWaalsContact O-N 3.1Å
521	G	86.3	Confident	84.8	Confident	38 Å²	38	85.2 Å²	85.2	39%	0.392	47%	0.471	S	S	.	.	I	π-helix	trans	-60.8	-45.5	-175.7	0	0	0	0	0	113.7	Y516 V517 G525	Y516-G521 PolarHBondContact O-N 2.9Å; V517-G521 CarbonylContact O-C 3.4Å; V517-G521 WeakPolarHBondContact O-CA 3.45Å; V517-G521 PolarHBondContact O-N 3.4Å; G521-G525 PolarHBondContact O-N 3.17Å
522	L	87.7	Confident	84.3	Confident	89 Å²	89	87.8 Å²	87.8	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-68.3	-50.1	-177.9	-164.8	158.9	0	0	0	112.7	V517 L518 V520 G525 L526	V517-L522 WeakPolarHBondContact O-CB 3.24Å; V517-L522 PolarHBondContact O-N 3.04Å; L518-L522 HydrophobicContact CD2-CD1 4.02Å; V520-L522 PolarHBondContact O-N 2.98Å; L522-G525 PolarHBondContact O-N 3.21Å; L522-L526 HydrophobicContact CD2-CD1 3.59Å; L522-L526 HydrophobicContact CD2-CG 4.07Å; L522-L526 WeakPolarHBondContact O-CB 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.36Å; L522-L526 PolarHBondContact O-N 2.91Å
523	P	86.6	Confident	83.1	Confident	64 Å²	64	92.1 Å²	92.1	42%	0.416	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-36.7	175.5	21.4	-30.3	0	0	0	113.3	T519 V520 L526 A527	T519-P523 WeakPolarHBondContact O-CG 3.36Å; V520-P523 WeakPolarHBondContact O-CD 3.39Å; V520-P523 WeakPolarHBondContact O-CG 3.48Å; P523-L526 PolarHBondContact O-N 2.97Å; P523-A527 WeakPolarHBondContact O-CB 3.41Å; P523-A527 PolarHBondContact O-N 3.06Å
524	V	87.3	Confident	82	Confident	85 Å²	85	96.2 Å²	96.2	52%	0.515	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-44.8	173.3	172.3	0	0	0	0	110.8	V520 L526 A527 V528	V520-V524 HydrophobicContact CG1-CG2 4.38Å; V520-V524 WeakPolarHBondContact O-CB 3.46Å; V520-V524 VanDerWaalsContact O-CG2 3.25Å; V520-V524 WeakPolarHBondContact O-CG2 2.8Å; V520-V524 PolarHBondContact O-N 2.88Å; V520-V524 VanDerWaalsContact O-N 3.1Å; V524-L526 PolarHBondContact O-N 3.05Å; V524-A527 PolarHBondContact O-N 2.68Å; V524-V528 WeakPolarHBondContact O-CG2 3.47Å; V524-V528 PolarHBondContact O-N 2.9Å
525	G	84.5	Confident	80.5	Confident	38 Å²	38	100 Å²	100	39%	0.392	54%	0.543	S	S	.	.	H	α-helix	trans	-60.2	-43.7	175.8	0	0	0	0	0	112.9	G521 L522 V528 L529	G521-G525 PolarHBondContact O-N 3.17Å; L522-G525 PolarHBondContact O-N 3.21Å; G525-V528 PolarHBondContact O-N 3.13Å; G525-L529 VanDerWaalsContact O-CB 3.26Å; G525-L529 WeakPolarHBondContact O-CB 3.42Å; G525-L529 PolarHBondContact O-N 2.8Å
526	L	86	Confident	78.8	Confident	101 Å²	101	102.5 Å²	102.5	53%	0.529	56%	0.564	S	S	.	*	H	α-helix	trans	-62.9	-41.3	173.3	-74.4	179.6	0	0	0	112.1	L522 P523 V524 L529 F530	L522-L526 HydrophobicContact CD2-CD1 3.59Å; L522-L526 HydrophobicContact CD2-CG 4.07Å; L522-L526 WeakPolarHBondContact O-CB 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.36Å; L522-L526 PolarHBondContact O-N 2.91Å; P523-L526 PolarHBondContact O-N 2.97Å; V524-L526 PolarHBondContact O-N 3.05Å; L526-L529 PolarHBondContact O-N 3.09Å; L526-F530 WeakPolarHBondContact O-CB 3.23Å; L526-F530 PolarHBondContact O-N 3.01Å
527	A	82.8	Confident	76.6	Confident	48 Å²	48	106.6 Å²	106.6	40%	0.397	59%	0.594	S	S	.	*	H	α-helix	trans	-63.2	-46.5	177.6	0	0	0	0	0	111.7	P523 V524 L529 F530 C531	P523-A527 WeakPolarHBondContact O-CB 3.41Å; P523-A527 PolarHBondContact O-N 3.06Å; V524-A527 PolarHBondContact O-N 2.68Å; A527-L529 VanDerWaalsContact C-N 3.34Å; A527-L529 PolarHBondContact O-N 2.6Å; A527-F530 PolarHBondContact O-N 2.72Å; A527-C531 VanDerWaalsContact O-CB 3.22Å; A527-C531 WeakPolarHBondContact O-CB 3.4Å; A527-C531 PolarHBondContact O-N 3.11Å; A527-C531 PolarHBondContact O-SG 3.44Å; A527-C531 VanDerWaalsContact O-SG 3.34Å
528	V	84.2	Confident	74.6	Confident	57 Å²	57	109.1 Å²	109.1	35%	0.345	61%	0.605	S	S	.	*	H	α-helix	trans	-60.2	-44.2	174.8	172.8	0	0	0	0	111.1	V524 G525 F530 C531 W532	V524-V528 WeakPolarHBondContact O-CG2 3.47Å; V524-V528 PolarHBondContact O-N 2.9Å; G525-V528 PolarHBondContact O-N 3.13Å; V528-F530 VanDerWaalsContact C-N 3.31Å; V528-F530 PolarHBondContact O-N 2.61Å; V528-C531 PolarHBondContact O-N 2.6Å; V528-W532 HydrophobicContact CG1-CD2 3.68Å; V528-W532 HydrophobicContact CG1-CE3 3.77Å; V528-W532 HydrophobicContact CG1-CG 4.36Å; V528-W532 HydrophobicContact CG1-CH2 3.81Å; V528-W532 HydrophobicContact CG1-CZ2 3.71Å; V528-W532 HydrophobicContact CG1-CZ3 3.84Å; V528-W532 PolarHBondContact O-N 3.38Å
529	L	80	Confident	72.4	Confident	121 Å²	121	111 Å²	111	63%	0.634	62%	0.616	S	S	*	*	H	α-helix	trans	-68.2	-28.3	-179	-159.8	152.7	0	0	0	112.8	G525 L526 A527	G525-L529 VanDerWaalsContact O-CB 3.26Å; G525-L529 WeakPolarHBondContact O-CB 3.42Å; G525-L529 PolarHBondContact O-N 2.8Å; L526-L529 PolarHBondContact O-N 3.09Å; A527-L529 VanDerWaalsContact C-N 3.34Å; A527-L529 PolarHBondContact O-N 2.6Å
530	F	76.3	Confident	70.4	Confident	162 Å²	162	116.8 Å²	116.8	71%	0.711	63%	0.629	S	S	*	*	H	α-helix	trans	-83.5	-30.9	172.2	-112.9	-94.4	0	0	0	114.1	L526 A527 V528	L526-F530 WeakPolarHBondContact O-CB 3.23Å; L526-F530 PolarHBondContact O-N 3.01Å; A527-F530 PolarHBondContact O-N 2.72Å; V528-F530 VanDerWaalsContact C-N 3.31Å; V528-F530 PolarHBondContact O-N 2.61Å
531	C	75.4	Confident	68	Low	104 Å²	104	118.7 Å²	118.7	70%	0.703	64%	0.641	S	S	*	*	H	α-helix	trans	-92.3	-16.2	-174.8	-70.1	0	0	0	0	114.5	A527 V528 P533	A527-C531 VanDerWaalsContact O-CB 3.22Å; A527-C531 WeakPolarHBondContact O-CB 3.4Å; A527-C531 PolarHBondContact O-N 3.11Å; A527-C531 PolarHBondContact O-SG 3.44Å; A527-C531 VanDerWaalsContact O-SG 3.34Å; V528-C531 PolarHBondContact O-N 2.6Å; C531-P533 WeakPolarHBondContact O-CD 3.41Å
532	W	75.4	Confident	65.7	Low	198 Å²	198	127.2 Å²	127.2	75%	0.75	66%	0.663	S	S	*	*	S	Bend	trans	-71.4	123.7	173.8	-88	-18.6	0	0	0	112.5	V528 K534	V528-W532 HydrophobicContact CG1-CD2 3.68Å; V528-W532 HydrophobicContact CG1-CE3 3.77Å; V528-W532 HydrophobicContact CG1-CG 4.36Å; V528-W532 HydrophobicContact CG1-CH2 3.81Å; V528-W532 HydrophobicContact CG1-CZ2 3.71Å; V528-W532 HydrophobicContact CG1-CZ3 3.84Å; V528-W532 PolarHBondContact O-N 3.38Å; W532-K534 PolarHBondContact O-N 2.85Å
533	P	62.1	Low	63	Low	117 Å²	117	134.7 Å²	134.7	76%	0.76	69%	0.685	S	S	*	*			trans	-74	113.7	-176.9	29	-34.1	0	0	0	111.4	C531 K535	C531-P533 WeakPolarHBondContact O-CD 3.41Å; P533-K535 PolarHBondContact O-N 3.33Å
534	K	60.2	Low	60.4	Low	193 Å²	193	142 Å²	142	84%	0.839	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-63.5	118	170.9	-64.1	-174.9	-176.6	-176.3	0	109.6	W532	W532-K534 PolarHBondContact O-N 2.85Å
535	K	55.6	Low	57.9	Low	191 Å²	191	144.3 Å²	144.3	83%	0.83	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-58.8	141.4	171.7	-68.7	-177.7	178.6	178.5	0	109.8	P533	P533-K535 PolarHBondContact O-N 3.33Å
536	P	52.2	Low	55.3	Low	124 Å²	124	148.9 Å²	148.9	81%	0.805	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-65	150.2	174	29.1	-34.6	0	0	0	110.6
537	V	42.4	Very low	52.7	Low	141 Å²	141	153.1 Å²	153.1	86%	0.855	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-94	125.9	175	-177.8	0	0	0	0	108.3
538	D	43.4	Very low	51.1	Low	141 Å²	141	155.8 Å²	155.8	75%	0.754	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-76	145.5	177.5	-93.3	-42.7	0	0	0	112.7	Y540	D538-Y540 HydrophobicContact CB-CE2 4.36Å
539	D	42	Very low	48.3	Very low	145 Å²	145	161.8 Å²	161.8	78%	0.775	79%	0.788	S	S	*	*			trans	-95.2	112.8	-169.5	-170.7	15	0	0	0	111.7
540	Y	42.8	Very low	45.7	Very low	207 Å²	207	160.3 Å²	160.3	81%	0.812	79%	0.788	S	S	*	*			trans	-105.6	100.4	-176.5	-89.5	-88.3	0	0	0	112.9	D538 Y542	D538-Y540 HydrophobicContact CB-CE2 4.36Å; Y540-Y542 PolarHBondContact O-N 3.34Å
541	V	34.2	Very low	43.2	Very low	128 Å²	128	160.3 Å²	160.3	78%	0.776	79%	0.79	S	S	*	*			trans	-74.9	120.9	179.2	178.7	0	0	0	0	111.8
542	Y	38.1	Very low	41.2	Very low	218 Å²	218	161.1 Å²	161.1	86%	0.855	79%	0.786	S	S	*	*			trans	-64.7	138.1	172.8	-101.5	-94.8	0	0	0	113.1	Y540	Y540-Y542 PolarHBondContact O-N 3.34Å
543	R	31.9	Very low	39.1	Very low	245 Å²	245	159.5 Å²	159.5	93%	0.925	79%	0.787	S	S	*	*			trans	-130.3	116.8	158.5	-135.5	-178.4	-165	-162.6	4.5	110
544	R	31.3	Very low	37.4	Very low	219 Å²	219	162 Å²	162	83%	0.826	79%	0.788	S	S	*	*			trans	-75.6	157.2	174.8	-52.5	-177.5	-171.5	-174.1	1.1	110.5
545	V	34.1	Very low	36	Very low	133 Å²	133	159.5 Å²	159.5	81%	0.806	78%	0.78	S	S	*	*				-179.1	129.7	97.4	155	0	0	0	0	109.1
546	D	30.4	Very low	34.9	Very low	134 Å²	134	158.4 Å²	158.4	72%	0.717	78%	0.777	S	S	*	*			trans	-72.7	156.4	172.8	-35.2	-101.2	0	0	0	111.3
547	Q	31.6	Very low	33.8	Very low	189 Å²	189	160.1 Å²	160.1	88%	0.883	78%	0.775	S	S	*	*				-178.5	160.7	108.8	-91.8	-149.2	-25.1	0	0	112.6
548	P	49.9	Very low	33.2	Very low	105 Å²	105	160.5 Å²	160.5	68%	0.682	77%	0.767	S	S	*	*			trans	-121.2	179.1	-151.1	43.6	-32.6	0	0	0	114.5
549	Q	25.7	Very low	32.5	Very low	182 Å²	182	161.4 Å²	161.4	85%	0.85	77%	0.767	S	S	*	*			trans	159.4	150.3	146.2	-92.9	178	-45.5	0	0	109
550	S	24.2	Very low	32	Very low	90 Å²	90	162.5 Å²	162.5	63%	0.629	77%	0.767	S	S	*	*			cis	175.9	150.8	-31.2	47.9	0	0	0	0	109.4
551	H	24.6	Very low	31.4	Very low	162 Å²	162	161.3 Å²	161.3	75%	0.75	77%	0.769	S	S	*	*			trans	81.7	145.6	151.3	-125.5	-74.6	0	0	0	120.5
552	I	32.4	Very low	31	Very low	122 Å²	122	158.5 Å²	158.5	63%	0.626	77%	0.766	S	S	*	*			trans	72.5	129.2	166.4	-52.2	-177.5	0	0	0	113.2
553	E	31.9	Very low	30.4	Very low	163 Å²	163	157.8 Å²	157.8	76%	0.762	77%	0.771	S	S	*	*	S	Bend	cis	-149.4	146.6	11.3	-122.4	140.5	-144	0	0	104.4
554	E	27.5	Very low	30.4	Very low	171 Å²	171	150.2 Å²	150.2	80%	0.799	76%	0.76	S	S	*	*			cis	-142	161.3	1.3	-60	164.3	114.9	0	0	106.1
555	E	30.3	Very low	30.5	Very low	140 Å²	140	147 Å²	147	65%	0.654	76%	0.759	S	S	*	*			cis	84.3	117.4	20.8	-61.6	150.9	-110.8	0	0	114.7
556	E	31.6	Very low	30.4	Very low	167 Å²	167	149.1 Å²	149.1	78%	0.78	76%	0.761	S	S	*	*			cis	-171.8	176.4	-18.2	-132.8	162.8	-169.8	0	0	112
557	E	29.3	Very low	30.4	Very low	161 Å²	161	150.8 Å²	150.8	75%	0.752	76%	0.764	S	S	*	*			trans	65.4	160.3	157.6	-71.8	170.3	161.6	0	0	120.6
558	E	29.3	Very low	30.3	Very low	148 Å²	148	148 Å²	148	69%	0.692	75%	0.751	S	S	*	*			cis	-159.6	167.3	8	-135.3	167.8	-175.5	0	0	114.3
559	E	29.8	Very low	29.3	Very low	161 Å²	161	150.4 Å²	150.4	75%	0.752	75%	0.751	S	S	*	*			trans	61.2	157.8	153.3	-85.9	172	-177	0	0	123.2
560	E	30.2	Very low	29.3	Very low	167 Å²	167	150.3 Å²	150.3	78%	0.78	75%	0.75	S	S	*	*			cis	-136.8	142.2	5.1	-110.2	-177.2	159	0	0	108.7
561	E	30.8	Very low	29.5	Very low	182 Å²	182	151 Å²	151	85%	0.85	76%	0.762	S	S	*	*				76	164	80.4	-68.4	-78.2	127.6	0	0	117.1
562	G	26.9	Very low	29.5	Very low	70 Å²	70	147.1 Å²	147.1	72%	0.722	77%	0.765	S	S	*	*			trans	-173.5	172	-175.8	0	0	0	0	0	115.8
563	E	24.8	Very low	29.2	Very low	203 Å²	203	146.8 Å²	146.8	95%	0.949	78%	0.781	S	S	*	*			trans	-153.5	177.3	-169.3	-134.3	175	-158.4	0	0	115.6
564	A	31.2	Very low	28.8	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	78%	0.784	S	S	*	*			trans	-152.3	-174.4	-177	0	0	0	0	0	110.9
565	D	33	Very low	28.8	Very low	151 Å²	151	143.7 Å²	143.7	81%	0.807	79%	0.788	S	S	*	*			cis	-159.1	-149.3	11.4	-154	-81.1	0	0	0	109.8
566	E	32.2	Very low	29.4	Very low	178 Å²	178	142 Å²	142	83%	0.832	79%	0.789	S	S	*	*			trans	75.7	151.7	167.8	-54.3	-172.7	155	0	0	118.1
567	E	30.6	Very low	29.2	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.794	79%	0.788	S	S	*	*			cis	-137	-93	-3.5	-147.4	-156.9	175.6	0	0	114.4
568	E	30.3	Very low	29.1	Very low	131 Å²	131	135.5 Å²	135.5	61%	0.612	79%	0.791	S	S	*	*			trans	-150.4	156.5	-157.4	-79.6	-156.8	143	0	0	119.5
569	K	28.9	Very low	29.1	Very low	154 Å²	154	132 Å²	132	67%	0.67	79%	0.788	S	S	*	*			trans	59.6	132.9	138.2	-71.8	177.6	-171.4	127.9	0	126.7
570	E	26.1	Very low	29.1	Very low	180 Å²	180	133 Å²	133	84%	0.841	79%	0.792	S	S	*	*			trans	30.1	130.8	136.5	-68.5	-164.7	138.4	0	0	125.8
571	A	27.4	Very low	29	Very low	105 Å²	105	131.7 Å²	131.7	87%	0.868	79%	0.791	S	S	*	*			trans	72.9	134.4	131.8	0	0	0	0	0	122.8
572	G	24.7	Very low	28.9	Very low	80 Å²	80	132 Å²	132	83%	0.825	79%	0.792	S	S	*	*			trans	155.1	109.1	159.9	0	0	0	0	0	116.1
573	A	25.4	Very low	28.9	Very low	115 Å²	115	132.4 Å²	132.4	95%	0.95	80%	0.797	S	S	*	*			trans	-57.4	156.8	-178.5	0	0	0	0	0	117.2
574	G	24.9	Very low	29.1	Very low	80 Å²	80	131 Å²	131	83%	0.825	79%	0.79	S	S	*	*			trans	176.1	91.8	168.2	0	0	0	0	0	117.6
575	E	27.4	Very low	28.9	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	80%	0.795	S	S	*	*			trans	-75.9	174.9	151.5	-100.4	-161.8	109.8	0	0	110.5
576	P	43.3	Very low	28.7	Very low	106 Å²	106	136.5 Å²	136.5	69%	0.688	79%	0.787	S	S	*	*			cis	-141.8	-178.7	17.2	43.4	-25.4	0	0	0	117.6
577	A	26.3	Very low	28.4	Very low	92 Å²	92	135.3 Å²	135.3	76%	0.76	78%	0.782	S	S	*	*			trans	67	154.6	145	0	0	0	0	0	120.6
578	A	27.9	Very low	28.2	Very low	98 Å²	98	133 Å²	133	81%	0.81	78%	0.784	S	S	*	*			cis	-171.6	-168.4	-25.4	0	0	0	0	0	106.5
579	A	29.8	Very low	28.1	Very low	75 Å²	75	134.1 Å²	134.1	62%	0.62	80%	0.795	S	S	*	*			cis	-161.7	166.5	4.1	0	0	0	0	0	109.9
580	Q	28.7	Very low	27.9	Very low	182 Å²	182	130 Å²	130	85%	0.85	80%	0.796	S	S	*	*			trans	69.5	152.7	159	-70.7	158.5	-34.8	0	0	117.1
581	D	28.1	Very low	28.1	Very low	139 Å²	139	130.6 Å²	130.6	74%	0.743	80%	0.798	S	S	*	*			cis	-144.2	-177.5	16.8	-148.5	8.1	0	0	0	115.1
582	E	29.2	Very low	28	Very low	188 Å²	188	128.3 Å²	128.3	88%	0.879	79%	0.785	S	S	*	*			trans	-64.4	161.9	-167.6	-62.1	170.2	171.3	0	0	119.1
583	G	26.9	Very low	28.2	Very low	80 Å²	80	131.6 Å²	131.6	83%	0.825	78%	0.784	S	S	*	*			trans	169.5	86	168.4	0	0	0	0	0	118
584	E	28.3	Very low	28.3	Very low	173 Å²	173	133.5 Å²	133.5	81%	0.808	78%	0.778	S	S	*	*			trans	-28.3	135.2	179.3	-56.5	-176.5	106.9	0	0	122.2
585	R	28.2	Very low	28.5	Very low	215 Å²	215	137.9 Å²	137.9	81%	0.811	78%	0.777	S	S	*	*				44.3	147.4	125.7	-59.7	179	179.9	175.2	-0.1	121
586	Q	28.1	Very low	28.5	Very low	136 Å²	136	135.6 Å²	135.6	64%	0.636	78%	0.776	S	S	*	*			cis	-158.3	159.4	14.9	-140.5	168.7	-53.9	0	0	112
587	E	26.2	Very low	27.8	Very low	154 Å²	154	133.8 Å²	133.8	72%	0.72	78%	0.777	S	S	*	*			trans	34.7	118.7	153.8	-77	144.5	-138.4	0	0	122.1
588	S	26.5	Very low	27.9	Very low	120 Å²	120	133.7 Å²	133.7	84%	0.839	78%	0.776	S	S	*	*				-170.6	156.9	108.2	24.2	0	0	0	0	111.4
589	D	26.9	Very low	27.9	Very low	156 Å²	156	136 Å²	136	83%	0.834	77%	0.774	S	S	*	*			trans	-84.8	160	-159.1	-48.9	-83.7	0	0	0	115.4
590	G	26.4	Very low	27.7	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	77%	0.773	S	S	*	*			trans	-78.5	-169.8	148.4	0	0	0	0	0	110.6
591	Q	29.8	Very low	27.7	Very low	191 Å²	191	137.2 Å²	137.2	89%	0.893	77%	0.771	S	S	*	*			cis	-160.4	143.9	8.7	-167.8	164.4	-26.1	0	0	107.6
592	G	25.7	Very low	27.7	Very low	57 Å²	57	140 Å²	140	59%	0.588	78%	0.779	S	S	*	*			trans	-85	153.5	170.1	0	0	0	0	0	111.6
593	D	28.4	Very low	27.7	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	78%	0.781	S	S	*	*			trans	50.9	140.2	151.7	-54.4	-22.2	0	0	0	118.9
594	N	27.7	Very low	27.7	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	79%	0.785	S	S	*	*				-161.7	177.4	53.6	-139.3	-38.6	0	0	0	115.4
595	Q	29.6	Very low	27.6	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	79%	0.785	S	S	*	*			trans	-119.3	140.3	-164.9	167.3	-167.7	63.4	0	0	112.7
596	V	27.6	Very low	27.6	Very low	141 Å²	141	143.3 Å²	143.3	86%	0.855	79%	0.785	S	S	*	*			trans	-152.6	136.9	154.4	-147.5	0	0	0	0	104.4
597	G	28.1	Very low	27.4	Very low	69 Å²	69	146.5 Å²	146.5	71%	0.711	80%	0.8	S	S	*	*			cis	90.7	131	30	0	0	0	0	0	109.6
598	A	28.9	Very low	27.6	Very low	90 Å²	90	147.3 Å²	147.3	74%	0.744	80%	0.803	S	S	*	*			cis	-156	-168.6	-9.9	0	0	0	0	0	106.6
599	D	26.2	Very low	27.6	Very low	145 Å²	145	149.5 Å²	149.5	78%	0.775	80%	0.8	S	S	*	*			cis	-165.8	-167.9	11.1	-142.2	-43.6	0	0	0	109.6
600	N	26.8	Very low	27.6	Very low	110 Å²	110	151.8 Å²	151.8	59%	0.588	81%	0.806	S	S	*	*			trans	81.5	116.9	161.2	-82.7	53.8	0	0	0	122.5
601	E	27.8	Very low	27.7	Very low	173 Å²	173	157.4 Å²	157.4	81%	0.808	81%	0.814	S	S	*	*				54.2	106.3	122.3	-61.4	170.3	174	0	0	120.9
602	E	27.8	Very low	27.6	Very low	198 Å²	198	157 Å²	157	93%	0.925	81%	0.812	S	S	*	*			trans	-118.7	140.3	151.5	-67.5	-172.2	146.2	0	0	109.4
603	E	29.3	Very low	27.6	Very low	197 Å²	197	160.1 Å²	160.1	92%	0.921	83%	0.825	S	S	*	*			trans	-94.4	142.1	174.4	-68.7	-174.4	133.5	0	0	110.7
604	E	27.1	Very low	27.6	Very low	191 Å²	191	160.6 Å²	160.6	89%	0.893	82%	0.822	S	S	*	*			trans	-76.9	136.9	177.8	-60.6	177.7	143.1	0	0	112.3
605	M	26	Very low	27.6	Very low	166 Å²	166	160.8 Å²	160.8	82%	0.818	82%	0.818	S	S	*	*			trans	-158.5	116	147.3	-123	-179.5	-62.4	0	0	112.8
606	E	27.8	Very low	27.4	Very low	171 Å²	171	158.4 Å²	158.4	80%	0.799	81%	0.811	S	S	*	*			trans	30	113.5	136.2	-58.7	172.2	-172.5	0	0	119.7
607	E	25.8	Very low	27.3	Very low	204 Å²	204	159 Å²	159	95%	0.953	80%	0.802	S	S	*	*				-137.8	141.8	123.1	-76.1	-158.4	147	0	0	109.1
608	E	28.8	Very low	27.3	Very low	170 Å²	170	161.7 Å²	161.7	79%	0.794	81%	0.805	S	S	*	*			trans	-107.9	161.3	-174.8	-72.6	-177.1	134.5	0	0	112.7
609	E	26.1	Very low	27.4	Very low	166 Å²	166	163.1 Å²	163.1	78%	0.776	81%	0.806	S	S	*	*			trans	49	109.2	152.4	-67.9	178.6	178.7	0	0	120.8
610	E	27	Very low	27.4	Very low	204 Å²	204	165.2 Å²	165.2	95%	0.953	81%	0.812	S	S	*	*			trans	-123.8	131.4	134.7	-76.7	-156.2	143.6	0	0	110
611	E	28.9	Very low	27.4	Very low	186 Å²	186	171.1 Å²	171.1	87%	0.869	83%	0.826	S	S	*	*			trans	-84.6	168.3	-173.7	-80.2	-168.4	134.9	0	0	115.1
612	E	27.6	Very low	27.4	Very low	183 Å²	183	168.8 Å²	168.8	86%	0.855	82%	0.824	S	S	*	*			trans	-45.1	151.1	-180	-52.5	-178.9	147.9	0	0	117.3
613	S	27.2	Very low	27.4	Very low	122 Å²	122	167.4 Å²	167.4	85%	0.853	82%	0.822	S	S	*	*			trans	-149.2	88.8	149	49.1	0	0	0	0	112.7	E615	S613-E615 PolarHBondContact O-N 3.5Å
614	E	27.8	Very low	27.5	Very low	160 Å²	160	167.4 Å²	167.4	75%	0.748	82%	0.822	S	S	*	*			trans	-77.4	114	168.5	-75.4	-147.8	143	0	0	112.1	N616	E614-N616 PolarHBondContact O-N 2.97Å; E614-N616 PolarHBondContact OE2-ND2 3.07Å
615	E	27.5	Very low	27.6	Very low	159 Å²	159	166 Å²	166	74%	0.743	82%	0.82	S	S	*	*			trans	-87.5	82.7	160.1	-88.4	-146.6	131.1	0	0	111.4	S613 K617	S613-E615 PolarHBondContact O-N 3.5Å; E615-K617 PolarHBondContact O-N 2.82Å; E615-K617 VanDerWaalsContact O-N 3.09Å; E615-K617 IonicContact OE1-NZ 2.6Å; E615-K617 PolarHBondContact OE1-NZ 2.68Å; E615-K617 IonicContact OE2-NZ 2.61Å; E615-K617 PolarHBondContact OE2-NZ 3.28Å
616	N	26.3	Very low	27.7	Very low	121 Å²	121	166.4 Å²	166.4	65%	0.647	82%	0.82	S	S	*	*			trans	-69.4	103	168.7	-97.9	-65.1	0	0	0	111.5	E614	E614-N616 PolarHBondContact O-N 2.97Å; E614-N616 PolarHBondContact OE2-ND2 3.07Å
617	K	25.4	Very low	27.7	Very low	155 Å²	155	164.9 Å²	164.9	67%	0.674	81%	0.813	S	S	*	*			trans	-109.8	80.2	172.5	-74.4	-164.9	173.4	92.9	0	112.5	E615	E615-K617 PolarHBondContact O-N 2.82Å; E615-K617 VanDerWaalsContact O-N 3.09Å; E615-K617 IonicContact OE1-NZ 2.6Å; E615-K617 PolarHBondContact OE1-NZ 2.68Å; E615-K617 IonicContact OE2-NZ 2.61Å; E615-K617 PolarHBondContact OE2-NZ 3.28Å
618	T	28.1	Very low	27.9	Very low	124 Å²	124	163.1 Å²	163.1	76%	0.761	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-81.4	132.3	163.8	41.6	0	0	0	0	110.8
619	P	31	Very low	27.9	Very low	120 Å²	120	162.3 Å²	162.3	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-83.9	127	179.7	31.5	-33	0	0	0	112
620	E	26.3	Very low	27.9	Very low	190 Å²	190	158 Å²	158	89%	0.888	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.4	134.6	171	-166.9	177.7	-165.2	0	0	110.8
621	R	26.6	Very low	27.9	Very low	233 Å²	233	152.1 Å²	152.1	88%	0.879	80%	0.797	S	S	*	*			trans	-131.7	90.2	-175.5	-162.8	-179.6	-167.4	-169.7	4	111.3
622	T	27.9	Very low	27.8	Very low	125 Å²	125	151 Å²	151	77%	0.767	80%	0.797	S	S	*	*			trans	-65	147.5	176.3	45	0	0	0	0	112.5
623	L	27.5	Very low	28	Very low	169 Å²	169	149.2 Å²	149.2	89%	0.885	80%	0.799	S	S	*	*			trans	-118.7	119.7	171.5	-74	170.1	0	0	0	108.7
624	E	30.5	Very low	28	Very low	197 Å²	197	147.9 Å²	147.9	92%	0.921	80%	0.795	S	S	*	*			trans	-138	138	159.1	-71.8	-164.3	133.4	0	0	109
625	D	29.3	Very low	28.1	Very low	161 Å²	161	149.8 Å²	149.8	86%	0.861	80%	0.804	S	S	*	*			trans	-87.9	144.5	175.7	-79.5	-65.5	0	0	0	111.1
626	E	28.6	Very low	28.1	Very low	175 Å²	175	151.2 Å²	151.2	82%	0.818	81%	0.811	S	S	*	*				174.6	162.2	110.9	-89.1	-135.4	92	0	0	113.9
627	Q	28.5	Very low	28.3	Very low	139 Å²	139	151.2 Å²	151.2	65%	0.65	82%	0.82	S	S	*	*			trans	-58.7	164	-178	-51.3	164.6	27.5	0	0	112.6
628	K	29.1	Very low	28.5	Very low	166 Å²	166	152.6 Å²	152.6	72%	0.722	83%	0.829	S	S	*	*			cis	179.7	159.5	36.6	-146.6	160.1	-167.4	145.9	0	113.1
629	D	28.5	Very low	28.8	Very low	153 Å²	153	157 Å²	157	82%	0.818	84%	0.838	S	S	*	*			trans	71.5	133.1	144.1	-118.6	-31.2	0	0	0	123.5
630	G	27.1	Very low	28.7	Very low	75 Å²	75	159.8 Å²	159.8	77%	0.773	84%	0.84	S	S	*	*			trans	97.5	108.4	135.8	0	0	0	0	0	121.9
631	G	26.1	Very low	28.9	Very low	81 Å²	81	155.6 Å²	155.6	84%	0.835	84%	0.838	S	S	*	*			trans	126.6	131.4	140.6	0	0	0	0	0	118.6
632	D	27.7	Very low	29.1	Very low	163 Å²	163	150.6 Å²	150.6	87%	0.872	83%	0.833	S	S	*	*			trans	-73.1	151.1	171.2	-55.1	-95.2	0	0	0	113.7
633	V	30.3	Very low	29.3	Very low	145 Å²	145	156.1 Å²	156.1	88%	0.879	84%	0.84	S	S	*	*				-176.8	148.1	113.8	147.4	0	0	0	0	109.1
634	A	28.5	Very low	29.6	Very low	94 Å²	94	157.2 Å²	157.2	78%	0.777	84%	0.837	S	S	*	*			trans	-101.6	150	-177.7	0	0	0	0	0	113
635	E	29.1	Very low	29.6	Very low	201 Å²	201	158.9 Å²	158.9	94%	0.939	84%	0.835	S	S	*	*			trans	-151.5	149.6	152	-133.5	168.8	-152.8	0	0	110.6
636	E	28.1	Very low	29.8	Very low	188 Å²	188	163.2 Å²	163.2	88%	0.879	84%	0.84	S	S	*	*			trans	-90.3	143.7	-173.2	-61.3	177.9	119.4	0	0	112.6
637	S	29.6	Very low	30.2	Very low	122 Å²	122	161.5 Å²	161.5	85%	0.853	84%	0.84	S	S	*	*			trans	-155.4	126.5	144.6	51.7	0	0	0	0	112.7
638	H	30.8	Very low	30.3	Very low	184 Å²	184	165.7 Å²	165.7	85%	0.852	85%	0.85	S	S	*	*			trans	-73.4	139.9	169.7	-85.4	-83.9	0	0	0	111.2
639	K	32.9	Very low	30.9	Very low	217 Å²	217	167.3 Å²	167.3	94%	0.943	86%	0.858	S	S	*	*			trans	-152.8	151.5	138.7	-110.3	156.7	-171	178.2	0	110.9
640	Q	30	Very low	31.6	Very low	177 Å²	177	170.9 Å²	170.9	83%	0.827	88%	0.876	S	S	*	*			trans	-117.6	120.5	-157.6	-176.9	176	-3.6	0	0	109.9
641	A	30.3	Very low	31.8	Very low	103 Å²	103	175.7 Å²	175.7	85%	0.851	88%	0.882	S	S	*	*			trans	-95.8	111.4	-179.4	0	0	0	0	0	110.9
642	V	30.8	Very low	32.1	Very low	127 Å²	127	180.6 Å²	180.6	77%	0.77	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-89.5	122	175.5	-179.9	0	0	0	0	109.2
643	R	32.2	Very low	32.3	Very low	242 Å²	242	181.6 Å²	181.6	91%	0.913	89%	0.885	S	S	*	*	P	Polyproline II helix	trans	-96	125.4	169.3	-85.8	-176.1	165.8	-179.2	-5.2	110
644	K	32.8	Very low	32.5	Very low	191 Å²	191	183.8 Å²	183.8	83%	0.83	89%	0.885	S	S	*	*	P	Polyproline II helix	trans	-64.1	148	172.7	-68.6	-172.5	173.5	-170.4	0	110.5
645	R	31.9	Very low	32.7	Very low	233 Å²	233	189.4 Å²	189.4	88%	0.879	89%	0.892	S	S	*	*			trans	-111.8	123.5	176.3	-171.4	-179.4	-170.6	179.5	2.5	108.1
646	R	34	Very low	32.9	Very low	252 Å²	252	188.6 Å²	188.6	95%	0.951	89%	0.889	S	S	*	*	P	Polyproline II helix	trans	-70.1	141.9	170.3	-82.9	-177.9	168.5	172.4	-5.2	109.5
647	V	35.9	Very low	33.3	Very low	138 Å²	138	188.6 Å²	188.6	84%	0.836	89%	0.889	S	S	*	*	P	Polyproline II helix	trans	-100.8	155.2	172.7	-178.1	0	0	0	0	108.2
648	R	30.8	Very low	33.6	Very low	227 Å²	227	193.8 Å²	193.8	86%	0.857	89%	0.892	S	S	*	*	P	Polyproline II helix	trans	-80	150	173.5	-75.7	178.8	168.7	158	-6	109.8
649	K	41.2	Very low	33.8	Very low	201 Å²	201	194.6 Å²	194.6	87%	0.874	90%	0.896	S	S	*	*	P	Polyproline II helix	trans	-75.7	136.2	150.2	-79.8	-167.7	171	-168.5	0	108
650	D	42.8	Very low	33.9	Very low	227 Å²	227	192.5 Å²	192.5	100%	1.214	89%	0.891	S	S	*	*			trans	-90.8	0	138.6	-63.5	-47.8	0	0	0	107.2

Retrieved 650 of 650 residues in 184.1 ms (Link to these results)

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