A0A087XDH4_POEFO Loading...

Bone morphogenetic protein/retinoic acid inducible neural-specific 3a, tandem duplicate 1

AlphaFold DB , UniProt , Accession A0A087XDH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 770 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	37.7	Very low	41.1	Very low	249 Å²	249	138.1 Å²	138.1	100%	1.227	76%	0.762	S	S	*	*				0	107.8	0	-72.8	170.5	79.9	0	0	107.8
2	S	36.8	Very low	41.6	Very low	128 Å²	128	131.2 Å²	131.2	90%	0.895	74%	0.736	S	S	*	*			trans	-81.5	139.5	-179.1	41.5	0	0	0	0	111.5
3	G	30.3	Very low	42	Very low	70 Å²	70	130.8 Å²	130.8	72%	0.722	73%	0.731	S	S	*	*			trans	-168.9	150.2	170.8	0	0	0	0	0	111.8
4	P	43.9	Very low	42.1	Very low	116 Å²	116	130.9 Å²	130.9	75%	0.753	73%	0.725	S	S	*	*				-123	110.2	-124.6	33.5	-18.4	0	0	0	113.2
5	W	38.3	Very low	42.2	Very low	239 Å²	239	132.1 Å²	132.1	91%	0.905	72%	0.72	S	S	*	*	S	Bend	trans	-128.1	11.5	176.6	-102.1	52.8	0	0	0	114.6
6	T	43.6	Very low	42.5	Very low	117 Å²	117	131.1 Å²	131.1	72%	0.718	71%	0.713	S	S	*	*	S	Bend	trans	-110	-11.7	-175.9	48.4	0	0	0	0	114.7
7	S	39.7	Very low	42.6	Very low	87 Å²	87	134.8 Å²	134.8	61%	0.608	71%	0.714	S	S	*	*	H	α-helix	trans	-80.6	-30.6	-176.1	-172.8	0	0	0	0	114	T11	S7-T11 PolarHBondContact O-OG1 2.84Å
8	T	44.5	Very low	42.5	Very low	107 Å²	107	136 Å²	136	66%	0.656	71%	0.712	S	S	*	*	H	α-helix	trans	-78.1	-22.7	-174.4	44.1	0	0	0	0	114.7	T11	T8-T11 PolarHBondContact O-OG1 2.04Å
9	R	43.6	Very low	42.6	Very low	207 Å²	207	139.2 Å²	139.2	78%	0.781	71%	0.714	S	S	*	*	H	α-helix	trans	-80.4	-32	176.2	-84.9	-172.7	173.4	-170.1	-1.4	113.2	L13	R9-L13 PolarHBondContact O-N 3.04Å
10	L	46.1	Very low	42.7	Very low	119 Å²	119	137.2 Å²	137.2	62%	0.623	70%	0.704	S	S	*	*	H	α-helix	trans	-74.2	-33.8	178.5	-97.8	139.2	0	0	0	112.5	M14	L10-M14 VanDerWaalsContact O-CG 3.28Å; L10-M14 WeakPolarHBondContact O-CG 2.76Å; L10-M14 PolarHBondContact O-N 3.47Å; L10-M14 VanDerWaalsContact O-N 3.09Å
11	T	47.2	Very low	42.9	Very low	80 Å²	80	134 Å²	134	49%	0.491	69%	0.691	S	S	.	*	H	α-helix	trans	-69.9	-32.2	176.1	49.2	0	0	0	0	113	S7 T8 F15	S7-T11 PolarHBondContact O-OG1 2.84Å; T8-T11 PolarHBondContact O-OG1 2.04Å; T11-F15 PolarHBondContact O-N 2.71Å
12	A	47.7	Very low	43.1	Very low	55 Å²	55	127.6 Å²	127.6	46%	0.455	66%	0.661	S	S	.	*	H	α-helix	trans	-70.9	-40.8	176.2	0	0	0	0	0	112.3	F15 L16	A12-F15 PolarHBondContact O-N 2.89Å; A12-L16 PolarHBondContact O-N 3.11Å
13	L	46.9	Very low	43.4	Very low	127 Å²	127	125.6 Å²	125.6	67%	0.665	65%	0.647	S	S	*	*	H	α-helix	trans	-68.1	-36	175.9	-97.1	137.5	0	0	0	112.7	R9 W17	R9-L13 PolarHBondContact O-N 3.04Å; L13-W17 PolarHBondContact O-N 3.18Å
14	M	43	Very low	43.8	Very low	132 Å²	132	126.9 Å²	126.9	65%	0.65	64%	0.638	S	S	*	*	H	α-helix	trans	-70.4	-28.3	175.6	-70.5	-120.2	-82.5	0	0	113.4	L10 K18	L10-M14 VanDerWaalsContact O-CG 3.28Å; L10-M14 WeakPolarHBondContact O-CG 2.76Å; L10-M14 PolarHBondContact O-N 3.47Å; L10-M14 VanDerWaalsContact O-N 3.09Å; M14-K18 PolarHBondContact O-N 3.26Å
15	F	44.4	Very low	43.7	Very low	148 Å²	148	126.9 Å²	126.9	65%	0.649	63%	0.631	S	S	*	*	H	α-helix	trans	-74	-38	175.6	-116.1	-87.7	0	0	0	112.7	T11 A12 W17 W19	T11-F15 PolarHBondContact O-N 2.71Å; A12-F15 PolarHBondContact O-N 2.89Å; F15-W17 VanDerWaalsContact C-N 3.32Å; F15-W17 PolarHBondContact O-N 3Å; F15-W19 PolarHBondContact O-N 3.45Å
16	L	46.6	Very low	43.7	Very low	117 Å²	117	121.7 Å²	121.7	61%	0.613	62%	0.62	S	S	*	*	H	α-helix	trans	-64.6	-35.9	174.3	-94.6	141.8	0	0	0	112.2	A12 L20	A12-L16 PolarHBondContact O-N 3.11Å; L16-L20 PolarHBondContact O-N 3.44Å
17	W	43.4	Very low	43.3	Very low	193 Å²	193	119 Å²	119	73%	0.731	61%	0.605	S	S	*	*	H	α-helix	trans	-75.4	-36.7	179.3	-129.6	1.2	0	0	0	113.2	L13 F15 W19 L20 T21	L13-W17 PolarHBondContact O-N 3.18Å; F15-W17 VanDerWaalsContact C-N 3.32Å; F15-W17 PolarHBondContact O-N 3Å; W17-W19 VanDerWaalsContact C-N 3.29Å; W17-W19 PolarHBondContact O-N 3.42Å; W17-L20 PolarHBondContact O-N 3.35Å; W17-T21 PolarHBondContact O-N 2.85Å; W17-T21 PolarHBondContact O-OG1 3.48Å
18	K	41	Very low	42.9	Very low	157 Å²	157	125.3 Å²	125.3	68%	0.683	62%	0.616	S	S	*	*	H	α-helix	trans	-62.7	-34.4	173.6	-101.9	-177.8	174.8	-179.1	0	112.9	M14 T21 L22	M14-K18 PolarHBondContact O-N 3.26Å; K18-T21 WeakPolarHBondContact CA-OG1 3.08Å; K18-T21 PolarHBondContact O-OG1 3.18Å; K18-L22 PolarHBondContact O-N 3.42Å; K18-L22 VanDerWaalsContact O-N 3.13Å
19	W	45.5	Very low	42.3	Very low	196 Å²	196	127.9 Å²	127.9	74%	0.742	63%	0.625	S	S	*	*	H	α-helix	trans	-72.8	-37.4	175.8	-89.6	50.4	0	0	0	112.7	F15 W17 L22 S23	F15-W19 PolarHBondContact O-N 3.45Å; W17-W19 VanDerWaalsContact C-N 3.29Å; W17-W19 PolarHBondContact O-N 3.42Å; W19-L22 PolarHBondContact O-N 3.36Å; W19-S23 WeakPolarHBondContact O-CB 3.1Å; W19-S23 PolarHBondContact O-N 3.47Å
20	L	44.6	Very low	41.7	Very low	99 Å²	99	122.8 Å²	122.8	52%	0.518	62%	0.621	S	S	.	*	H	α-helix	trans	-65.1	-41	172.9	-107.4	104.3	0	0	0	112	L16 W17 S23 L24	L16-L20 PolarHBondContact O-N 3.44Å; W17-L20 PolarHBondContact O-N 3.35Å; L20-S23 PolarHBondContact O-N 3.23Å; L20-L24 PolarHBondContact O-N 2.88Å; L20-L24 VanDerWaalsContact O-N 3.11Å
21	T	45.4	Very low	40.9	Very low	70 Å²	70	121 Å²	121	43%	0.429	63%	0.631	S	S	.	*	H	α-helix	trans	-69.3	-32.7	178.3	52.5	0	0	0	0	112.8	W17 K18 L25	W17-T21 PolarHBondContact O-N 2.85Å; W17-T21 PolarHBondContact O-OG1 3.48Å; K18-T21 WeakPolarHBondContact CA-OG1 3.08Å; K18-T21 PolarHBondContact O-OG1 3.18Å; T21-L25 WeakPolarHBondContact O-CB 3.48Å; T21-L25 WeakPolarHBondContact O-CD1 3.04Å; T21-L25 PolarHBondContact O-N 3.48Å; T21-L25 VanDerWaalsContact O-N 3.16Å
22	L	41.9	Very low	39.8	Very low	115 Å²	115	121.1 Å²	121.1	60%	0.602	65%	0.648	S	S	*	*	H	α-helix	trans	-71.5	-36.2	174.5	-124.3	83.9	0	0	0	111.9	K18 W19 L24 L25 L26	K18-L22 PolarHBondContact O-N 3.42Å; K18-L22 VanDerWaalsContact O-N 3.13Å; W19-L22 PolarHBondContact O-N 3.36Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L25 PolarHBondContact O-N 3.42Å; L22-L26 VanDerWaalsContact O-CD1 3.28Å; L22-L26 WeakPolarHBondContact O-CD1 3.42Å; L22-L26 PolarHBondContact O-N 3.34Å
23	S	44.8	Very low	38.7	Very low	86 Å²	86	123.4 Å²	123.4	60%	0.601	67%	0.667	S	S	*	*	H	α-helix	trans	-66.7	-34.5	176.4	-174.8	0	0	0	0	112.7	W19 L20 S27	W19-S23 WeakPolarHBondContact O-CB 3.1Å; W19-S23 PolarHBondContact O-N 3.47Å; L20-S23 PolarHBondContact O-N 3.23Å; S23-S27 PolarHBondContact O-OG 3.19Å
24	L	38.6	Very low	37.7	Very low	98 Å²	98	123 Å²	123	51%	0.513	68%	0.675	S	S	.	*	H	α-helix	trans	-78.9	-28.5	178.4	-83.8	152.1	0	0	0	112.9	L20 L22 S27	L20-L24 PolarHBondContact O-N 2.88Å; L20-L24 VanDerWaalsContact O-N 3.11Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L24-S27 WeakPolarHBondContact CA-OG 3.29Å; L24-S27 PolarHBondContact O-OG 2.98Å
25	L	40.4	Very low	37	Very low	116 Å²	116	121.6 Å²	121.6	61%	0.607	69%	0.685	S	S	*	*	H	α-helix	trans	-77.9	-26.8	174.9	-86.4	154.8	0	0	0	113.3	T21 L22	T21-L25 WeakPolarHBondContact O-CB 3.48Å; T21-L25 WeakPolarHBondContact O-CD1 3.04Å; T21-L25 PolarHBondContact O-N 3.48Å; T21-L25 VanDerWaalsContact O-N 3.16Å; L22-L25 PolarHBondContact O-N 3.42Å
26	L	38.4	Very low	36	Very low	129 Å²	129	119.4 Å²	119.4	68%	0.675	69%	0.694	S	S	*	*	H	α-helix	trans	-76.5	-21.8	171.4	-92.7	106	0	0	0	113.6	L22 W28	L22-L26 VanDerWaalsContact O-CD1 3.28Å; L22-L26 WeakPolarHBondContact O-CD1 3.42Å; L22-L26 PolarHBondContact O-N 3.34Å; L26-W28 VanDerWaalsContact C-N 3.33Å
27	S	36.1	Very low	34.8	Very low	60 Å²	60	121.2 Å²	121.2	42%	0.42	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-9.4	177.1	48.7	0	0	0	0	114.9	S23 L24	S23-S27 PolarHBondContact O-OG 3.19Å; L24-S27 WeakPolarHBondContact CA-OG 3.29Å; L24-S27 PolarHBondContact O-OG 2.98Å
28	W	30.7	Very low	33.9	Very low	220 Å²	220	117.6 Å²	117.6	83%	0.833	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	3.8	-178.6	-77.7	0.8	0	0	0	114.7	L26	L26-W28 VanDerWaalsContact C-N 3.33Å
29	L	32.4	Very low	33.1	Very low	161 Å²	161	113.8 Å²	113.8	84%	0.843	71%	0.706	S	S	*	*	S	Bend	trans	-104.1	6.4	173.4	-81.5	159.5	0	0	0	114
30	S	31.2	Very low	32.1	Very low	101 Å²	101	107.1 Å²	107.1	71%	0.706	70%	0.699	S	S	*	*			trans	-119.4	63	178.3	57.3	0	0	0	0	111.5
31	G	28.7	Very low	31.3	Very low	80 Å²	80	105.8 Å²	105.8	83%	0.825	70%	0.701	S	S	*	*			trans	-135.2	97.6	170.2	0	0	0	0	0	110.3
32	G	24.9	Very low	30.5	Very low	83 Å²	83	105.3 Å²	105.3	86%	0.856	71%	0.711	S	S	*	*			trans	143.9	76.2	168.2	0	0	0	0	0	115.5
33	A	23.8	Very low	30.4	Very low	103 Å²	103	104 Å²	104	85%	0.851	70%	0.7	S	S	*	*			trans	-178.7	100.5	140.9	0	0	0	0	0	109.3
34	S	25.6	Very low	30.1	Very low	118 Å²	118	103.4 Å²	103.4	83%	0.825	70%	0.697	S	S	*	*			trans	-66.6	149.8	166.9	40.5	0	0	0	0	112.3
35	A	28.6	Very low	30.1	Very low	104 Å²	104	101.9 Å²	101.9	86%	0.86	70%	0.704	S	S	*	*			trans	75.1	89.4	162.3	0	0	0	0	0	118
36	A	22.4	Very low	30.2	Very low	101 Å²	101	98.7 Å²	98.7	84%	0.835	69%	0.692	S	S	*	*			trans	-153.1	117.2	144.8	0	0	0	0	0	109.5	S38	A36-S38 PolarHBondContact O-N 2.79Å
37	D	22.5	Very low	30.6	Very low	156 Å²	156	98.4 Å²	98.4	83%	0.834	69%	0.691	S	S	*	*			trans	-49.5	131.7	173.8	-78.4	-45.6	0	0	0	111.8	A39	D37-A39 PolarHBondContact O-N 2.77Å
38	S	24	Very low	31.3	Very low	116 Å²	116	97.6 Å²	97.6	81%	0.811	69%	0.692	S	S	*	*			trans	-61.9	92.9	176.9	51.8	0	0	0	0	111.9	A36 G40	A36-S38 PolarHBondContact O-N 2.79Å; S38-G40 PolarHBondContact O-N 2.86Å
39	A	24.4	Very low	32.4	Very low	77 Å²	77	93.3 Å²	93.3	64%	0.636	69%	0.692	S	S	*	*			trans	-77.1	65.7	156.3	0	0	0	0	0	109.4	D37	D37-A39 PolarHBondContact O-N 2.77Å
40	G	25.3	Very low	34	Very low	57 Å²	57	91.1 Å²	91.1	59%	0.588	68%	0.681	S	S	*	*			trans	-127.3	36.6	-180	0	0	0	0	0	112.1	S38	S38-G40 PolarHBondContact O-N 2.86Å
41	A	26.8	Very low	35.6	Very low	70 Å²	70	86.9 Å²	86.9	58%	0.579	65%	0.653	S	S	*	*			trans	-101.7	77.2	168.8	0	0	0	0	0	108.1	F43	A41-F43 PolarHBondContact O-N 3.18Å; A41-F43 VanDerWaalsContact O-N 3.09Å
42	G	29.3	Very low	37.6	Very low	61 Å²	61	90.5 Å²	90.5	63%	0.629	64%	0.642	S	S	*	*			trans	-62.4	108.5	167.7	0	0	0	0	0	108.8	S44	G42-S44 PolarHBondContact O-N 2.98Å
43	F	40.4	Very low	40	Very low	86 Å²	86	88.1 Å²	88.1	38%	0.377	61%	0.609	S	S	.	*	S	Bend	trans	33.6	36.4	155.7	-136.1	-100.4	0	0	0	119.1	A41 G45 L54 F66 F69	A41-F43 PolarHBondContact O-N 3.18Å; A41-F43 VanDerWaalsContact O-N 3.09Å; F43-G45 PolarHBondContact O-N 2.79Å; F43-L54 HydrophobicContact CE1-CD1 4.08Å; F43-F66 HydrophobicContact CE1-CE2 4.19Å; F43-F66 HydrophobicContact CZ-CE2 4.42Å; F43-F69 HydrophobicContact CE2-CD1 4.5Å; F43-F69 AromaticContact CE2-CE1 3.86Å; F43-F69 HydrophobicContact CE2-CE1 3.86Å
44	S	38.2	Very low	42.6	Very low	75 Å²	75	86 Å²	86	52%	0.524	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.7	12.8	170	-104.1	0	0	0	0	113.3	G42	G42-S44 PolarHBondContact O-N 2.98Å
45	G	37.6	Very low	45	Very low	65 Å²	65	81.6 Å²	81.6	67%	0.67	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-1.6	-178.3	0	0	0	0	0	115.2	F43 N47	F43-G45 PolarHBondContact O-N 2.79Å; G45-N47 PolarHBondContact O-N 3.38Å
46	S	43.6	Very low	47.2	Very low	50 Å²	50	78.6 Å²	78.6	35%	0.35	52%	0.521	S	S	.	.			trans	-77.9	38.4	178.9	77.3	0	0	0	0	113.5	G48	S46-G48 PolarHBondContact O-N 2.8Å
47	N	45.3	Very low	49.7	Very low	123 Å²	123	76.9 Å²	76.9	66%	0.658	49%	0.494	S	S	*	.			trans	-71.4	7.4	177.4	-78.7	-30.2	0	0	0	114.3	G45 K379	G45-N47 PolarHBondContact O-N 3.38Å; N47-K379 PolarHBondContact OD1-NZ 3.2Å
48	G	52	Low	52.3	Low	43 Å²	43	69.8 Å²	69.8	44%	0.443	46%	0.458	S	S	.	.	S	Bend	trans	-85	161.8	174.4	0	0	0	0	0	112.9	S46 L50 G51	S46-G48 PolarHBondContact O-N 2.8Å; G48-L50 PolarHBondContact O-N 3.39Å; G48-G51 PolarHBondContact O-N 3.1Å
49	P	54.2	Low	54.7	Low	129 Å²	129	66.9 Å²	66.9	84%	0.838	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.1	179.2	21.9	-32.1	0	0	0	114.3
50	L	65.4	Low	57.2	Low	116 Å²	116	68.2 Å²	68.2	61%	0.607	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	5.1	179.1	-64.9	178.5	0	0	0	113.8	G48 W52 L53	G48-L50 PolarHBondContact O-N 3.39Å; L50-W52 PolarHBondContact O-N 2.57Å; L50-L53 HydrophobicContact CB-CD1 4.07Å; L50-L53 HydrophobicContact CD2-CD1 4.03Å; L50-L53 HydrophobicContact CG-CD1 4.49Å; L50-L53 VanDerWaalsContact O-CB 3.31Å; L50-L53 WeakPolarHBondContact O-CB 3.42Å; L50-L53 PolarHBondContact O-N 3.43Å; L50-L53 VanDerWaalsContact O-N 3.09Å
51	G	65.3	Low	59.8	Low	11 Å²	11	68 Å²	68	11%	0.113	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-61.9	-25.5	-175.8	0	0	0	0	0	114.9	G48 L53 L54 S55	G48-G51 PolarHBondContact O-N 3.1Å; G51-L53 PolarHBondContact O-N 3.48Å; G51-L54 PolarHBondContact O-N 2.71Å; G51-S55 PolarHBondContact O-N 3.13Å
52	W	70.8	Confident	62.3	Low	157 Å²	157	70.1 Å²	70.1	60%	0.595	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-61.3	-26.8	175.6	72	-90.7	0	0	0	112.9	L50 L54 S55 G58 P59	L50-W52 PolarHBondContact O-N 2.57Å; W52-L54 PolarHBondContact O-N 3.37Å; W52-S55 WeakPolarHBondContact O-CB 3.49Å; W52-S55 PolarHBondContact O-N 3.22Å; W52-S55 PolarHBondContact O-OG 3.21Å; W52-G58 WeakPolarHBondContact O-CA 3.35Å; W52-P59 HydrophobicContact CZ3-CG 4.15Å
53	L	75.4	Confident	64.8	Low	33 Å²	33	69 Å²	69	17%	0.173	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-64.4	-28.3	179.3	-70.3	173	0	0	0	113.1	L50 G51 G58 P59 F60	L50-L53 HydrophobicContact CB-CD1 4.07Å; L50-L53 HydrophobicContact CD2-CD1 4.03Å; L50-L53 HydrophobicContact CG-CD1 4.49Å; L50-L53 VanDerWaalsContact O-CB 3.31Å; L50-L53 WeakPolarHBondContact O-CB 3.42Å; L50-L53 PolarHBondContact O-N 3.43Å; L50-L53 VanDerWaalsContact O-N 3.09Å; G51-L53 PolarHBondContact O-N 3.48Å; L53-G58 CarbonylContact O-C 3.52Å; L53-P59 HydrophobicContact CD2-CG 3.65Å; L53-F60 HydrophobicContact CB-CD2 3.85Å; L53-F60 HydrophobicContact CB-CE2 4.28Å; L53-F60 HydrophobicContact CD1-CD2 4.39Å; L53-F60 HydrophobicContact CD1-CE2 4.07Å; L53-F60 HydrophobicContact CD2-CD2 4.2Å; L53-F60 HydrophobicContact CD2-CE2 3.87Å; L53-F60 HydrophobicContact CG-CD2 4.39Å; L53-F60 HydrophobicContact CG-CE2 4.32Å; L53-F60 PolarHBondContact O-N 3.07Å; L53-F60 VanDerWaalsContact O-N 3.11Å
54	L	77.8	Confident	66.6	Low	58 Å²	58	71.1 Å²	71.1	30%	0.304	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-105.4	-1.6	-177.1	-56	177.8	0	0	0	112.9	F43 G51 W52 F60 H61 F66	F43-L54 HydrophobicContact CE1-CD1 4.08Å; G51-L54 PolarHBondContact O-N 2.71Å; W52-L54 PolarHBondContact O-N 3.37Å; L54-F60 HydrophobicContact CD2-CB 4.02Å; L54-H61 PolarHBondContact O-ND1 2.91Å; L54-F66 HydrophobicContact CB-CE2 4.2Å; L54-F66 HydrophobicContact CB-CZ 4.24Å; L54-F66 HydrophobicContact CD1-CE2 4.19Å; L54-F66 HydrophobicContact CD2-CD2 3.92Å; L54-F66 HydrophobicContact CD2-CE2 4.08Å; L54-F66 HydrophobicContact CD2-CG 4.43Å; L54-F66 HydrophobicContact CG-CE2 4.39Å
55	S	75.6	Confident	68.4	Low	25 Å²	25	73.3 Å²	73.3	18%	0.175	41%	0.409	C	S	.	.	S	Bend	trans	-59	161.1	172.5	68.4	0	0	0	0	110.7	G51 W52 K57 G58 H61 D299	G51-S55 PolarHBondContact O-N 3.13Å; W52-S55 WeakPolarHBondContact O-CB 3.49Å; W52-S55 PolarHBondContact O-N 3.22Å; W52-S55 PolarHBondContact O-OG 3.21Å; S55-K57 PolarHBondContact O-N 3Å; S55-K57 VanDerWaalsContact O-N 3.11Å; S55-G58 WeakPolarHBondContact O-CA 3.35Å; S55-G58 PolarHBondContact O-N 3.22Å; S55-G58 PolarHBondContact OG-N 2.96Å; S55-H61 VanDerWaalsContact O-CB 3.26Å; S55-H61 WeakPolarHBondContact O-CB 3.39Å; S55-H61 PolarHBondContact O-ND1 3.49Å; S55-D299 WeakPolarHBondContact CA-OD2 3.22Å; S55-D299 VanDerWaalsContact CB-OD2 3.3Å; S55-D299 WeakPolarHBondContact CB-OD2 3.14Å
56	E	74.8	Confident	70.5	Confident	42 Å²	42	71.6 Å²	71.6	20%	0.196	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-37.6	-178.1	-174.5	-173.7	176.3	0	0	113.5	H61 P296 E297 V298 D299	E56-H61 PolarHBondContact O-CD2 2.72Å; E56-P296 HydrophobicContact CB-CB 4.08Å; E56-P296 VanDerWaalsContact OE2-CA 3.29Å; E56-P296 WeakPolarHBondContact OE2-CA 3.49Å; E56-E297 PolarHBondContact OE2-N 3.11Å; E56-V298 VanDerWaalsContact CD-CG2 3.49Å; E56-V298 HydrophobicContact CG-CB 4.37Å; E56-V298 HydrophobicContact CG-CG2 4.34Å; E56-V298 WeakPolarHBondContact OE1-CG2 3.35Å; E56-V298 VanDerWaalsContact OE2-CB 3.3Å; E56-V298 WeakPolarHBondContact OE2-CB 3.38Å; E56-V298 PolarHBondContact OE2-N 3.43Å; E56-D299 PolarHBondContact N-OD2 3.29Å
57	K	75.7	Confident	72.4	Confident	64 Å²	64	72.3 Å²	72.3	28%	0.278	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	10.1	176.9	-61.4	-67.1	-176	172.1	0	112.6	S55 E272 P296	S55-K57 PolarHBondContact O-N 3Å; S55-K57 VanDerWaalsContact O-N 3.11Å; K57-E272 VanDerWaalsContact NZ-CD 3.33Å; K57-E272 IonicContact NZ-OE1 3.5Å; K57-E272 PolarHBondContact NZ-OE1 3.17Å; K57-E272 VanDerWaalsContact NZ-OE1 3.08Å; K57-E272 IonicContact NZ-OE2 3.24Å; K57-E272 PolarHBondContact NZ-OE2 2.95Å; K57-P296 HydrophobicContact CG-CB 4.23Å
58	G	76	Confident	74.1	Confident	7 Å²	7	69.5 Å²	69.5	7%	0.072	37%	0.37	C	S	.	.	S	Bend	trans	-76.2	150.3	175.7	0	0	0	0	0	111.9	W52 L53 S55 F60 H61	W52-G58 WeakPolarHBondContact O-CA 3.35Å; L53-G58 CarbonylContact O-C 3.52Å; S55-G58 WeakPolarHBondContact O-CA 3.35Å; S55-G58 PolarHBondContact O-N 3.22Å; S55-G58 PolarHBondContact OG-N 2.96Å; G58-F60 PolarHBondContact O-N 3.46Å; G58-F60 VanDerWaalsContact O-N 3.1Å; G58-H61 WeakPolarHBondContact O-CB 3.38Å; G58-H61 PolarHBondContact O-N 2.94Å
59	P	73.8	Confident	75.6	Confident	56 Å²	56	69.5 Å²	69.5	36%	0.364	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.1	-175.2	25.1	-36.8	0	0	0	114.6	W52 L53	W52-P59 HydrophobicContact CZ3-CG 4.15Å; L53-P59 HydrophobicContact CD2-CG 3.65Å
60	F	78.9	Confident	77	Confident	105 Å²	105	65.1 Å²	65.1	46%	0.461	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	2.5	-178.7	-57.2	-49.2	0	0	0	113.9	L53 L54 G58 N62 S63	L53-F60 HydrophobicContact CB-CD2 3.85Å; L53-F60 HydrophobicContact CB-CE2 4.28Å; L53-F60 HydrophobicContact CD1-CD2 4.39Å; L53-F60 HydrophobicContact CD1-CE2 4.07Å; L53-F60 HydrophobicContact CD2-CD2 4.2Å; L53-F60 HydrophobicContact CD2-CE2 3.87Å; L53-F60 HydrophobicContact CG-CD2 4.39Å; L53-F60 HydrophobicContact CG-CE2 4.32Å; L53-F60 PolarHBondContact O-N 3.07Å; L53-F60 VanDerWaalsContact O-N 3.11Å; L54-F60 HydrophobicContact CD2-CB 4.02Å; G58-F60 PolarHBondContact O-N 3.46Å; G58-F60 VanDerWaalsContact O-N 3.1Å; F60-N62 VanDerWaalsContact C-N 3.27Å; F60-N62 PolarHBondContact O-N 3.16Å; F60-S63 VanDerWaalsContact O-CB 3.31Å; F60-S63 WeakPolarHBondContact O-CB 3.44Å; F60-S63 PolarHBondContact O-N 3.44Å; F60-S63 PolarHBondContact O-OG 3.49Å
61	H	79.8	Confident	77.9	Confident	52 Å²	52	63.8 Å²	63.8	24%	0.241	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-40.7	179.2	-166.8	70.3	0	0	0	112.5	L54 S55 E56 G58 S63 F66	L54-H61 PolarHBondContact O-ND1 2.91Å; S55-H61 VanDerWaalsContact O-CB 3.26Å; S55-H61 WeakPolarHBondContact O-CB 3.39Å; S55-H61 PolarHBondContact O-ND1 3.49Å; E56-H61 PolarHBondContact O-CD2 2.72Å; G58-H61 WeakPolarHBondContact O-CB 3.38Å; G58-H61 PolarHBondContact O-N 2.94Å; H61-S63 VanDerWaalsContact C-N 3.3Å; H61-F66 AromaticContact ND1-CE1 3.76Å; H61-F66 WeakPolarHBondContact O-CD1 3.22Å
62	N	78.2	Confident	78.9	Confident	114 Å²	114	66 Å²	66	61%	0.61	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	10.3	179.7	-63	-24.2	0	0	0	112.9	F60 Q64	F60-N62 VanDerWaalsContact C-N 3.27Å; F60-N62 PolarHBondContact O-N 3.16Å; N62-Q64 PolarHBondContact O-N 3.3Å
63	S	81.7	Confident	79.5	Confident	39 Å²	39	62.2 Å²	62.2	27%	0.273	31%	0.311	S	S	.	.			trans	-69.9	134	176.6	68.5	0	0	0	0	109.7	F60 H61 E65 F66 V67	F60-S63 VanDerWaalsContact O-CB 3.31Å; F60-S63 WeakPolarHBondContact O-CB 3.44Å; F60-S63 PolarHBondContact O-N 3.44Å; F60-S63 PolarHBondContact O-OG 3.49Å; H61-S63 VanDerWaalsContact C-N 3.3Å; S63-E65 PolarHBondContact O-N 3.16Å; S63-F66 PolarHBondContact O-N 3.01Å; S63-F66 WeakPolarHBondContact OG-CB 3.03Å; S63-V67 WeakPolarHBondContact O-CG2 3.06Å; S63-V67 PolarHBondContact O-N 3.41Å
64	Q	78.9	Confident	79.9	Confident	130 Å²	130	67.9 Å²	67.9	61%	0.607	34%	0.336	S	S	*	.	H	α-helix	trans	-54	-42.4	-177.3	-171	65.1	40.5	0	0	111.6	N62 F66 V67 D68	N62-Q64 PolarHBondContact O-N 3.3Å; Q64-F66 VanDerWaalsContact C-N 3.33Å; Q64-F66 PolarHBondContact O-N 3.15Å; Q64-V67 PolarHBondContact O-N 3.32Å; Q64-D68 PolarHBondContact NE2-OD1 3.42Å; Q64-D68 VanDerWaalsContact O-CB 3.29Å; Q64-D68 WeakPolarHBondContact O-CB 3.26Å; Q64-D68 PolarHBondContact O-N 2.97Å
65	E	75.6	Confident	80.2	Confident	121 Å²	121	69.3 Å²	69.3	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-62.7	-37.5	179.5	-61.9	-173.4	177	0	0	113.2	S63 F69	S63-E65 PolarHBondContact O-N 3.16Å; E65-F69 VanDerWaalsContact O-CB 3.29Å; E65-F69 WeakPolarHBondContact O-CB 3.44Å; E65-F69 PolarHBondContact O-N 2.97Å; E65-F69 VanDerWaalsContact O-N 3.08Å
66	F	82.1	Confident	80.5	Confident	29 Å²	29	68.9 Å²	68.9	13%	0.127	34%	0.341	C	S	.	.	H	α-helix	trans	-74.7	-41	178.1	-179.7	-105.1	0	0	0	111.7	F43 L54 H61 S63 Q64 F69 T70	F43-F66 HydrophobicContact CE1-CE2 4.19Å; F43-F66 HydrophobicContact CZ-CE2 4.42Å; L54-F66 HydrophobicContact CB-CE2 4.2Å; L54-F66 HydrophobicContact CB-CZ 4.24Å; L54-F66 HydrophobicContact CD1-CE2 4.19Å; L54-F66 HydrophobicContact CD2-CD2 3.92Å; L54-F66 HydrophobicContact CD2-CE2 4.08Å; L54-F66 HydrophobicContact CD2-CG 4.43Å; L54-F66 HydrophobicContact CG-CE2 4.39Å; H61-F66 AromaticContact ND1-CE1 3.76Å; H61-F66 WeakPolarHBondContact O-CD1 3.22Å; S63-F66 PolarHBondContact O-N 3.01Å; S63-F66 WeakPolarHBondContact OG-CB 3.03Å; Q64-F66 VanDerWaalsContact C-N 3.33Å; Q64-F66 PolarHBondContact O-N 3.15Å; F66-F69 PolarHBondContact O-N 2.94Å; F66-T70 WeakPolarHBondContact O-CB 3.48Å; F66-T70 PolarHBondContact O-N 3.11Å; F66-T70 PolarHBondContact O-OG1 3.02Å
67	V	83.3	Confident	81	Confident	64 Å²	64	67.9 Å²	67.9	39%	0.388	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-49.7	175.5	175.2	0	0	0	0	110.3	S63 Q64 F69 T70 E71	S63-V67 WeakPolarHBondContact O-CG2 3.06Å; S63-V67 PolarHBondContact O-N 3.41Å; Q64-V67 PolarHBondContact O-N 3.32Å; V67-F69 VanDerWaalsContact C-N 3.31Å; V67-F69 PolarHBondContact O-N 2.82Å; V67-T70 PolarHBondContact O-N 2.82Å; V67-T70 VanDerWaalsContact O-N 3.12Å; V67-E71 PolarHBondContact O-N 2.91Å
68	D	82.1	Confident	81.3	Confident	65 Å²	65	67 Å²	67	35%	0.348	34%	0.336	S	S	.	.	H	α-helix	trans	-58.4	-44.2	177.6	-70.9	-11.6	0	0	0	111.1	Q64 R72	Q64-D68 PolarHBondContact NE2-OD1 3.42Å; Q64-D68 VanDerWaalsContact O-CB 3.29Å; Q64-D68 WeakPolarHBondContact O-CB 3.26Å; Q64-D68 PolarHBondContact O-N 2.97Å; D68-R72 WeakPolarHBondContact O-CB 3.45Å; D68-R72 WeakPolarHBondContact O-CG 3.34Å; D68-R72 PolarHBondContact O-N 3.37Å
69	F	82.6	Confident	81.7	Confident	43 Å²	43	67.8 Å²	67.8	19%	0.189	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-43.6	176.4	179.8	-90	0	0	0	111.9	F43 E65 F66 V67 R72 Y73 K80 F156	F43-F69 HydrophobicContact CE2-CD1 4.5Å; F43-F69 AromaticContact CE2-CE1 3.86Å; F43-F69 HydrophobicContact CE2-CE1 3.86Å; E65-F69 VanDerWaalsContact O-CB 3.29Å; E65-F69 WeakPolarHBondContact O-CB 3.44Å; E65-F69 PolarHBondContact O-N 2.97Å; E65-F69 VanDerWaalsContact O-N 3.08Å; F66-F69 PolarHBondContact O-N 2.94Å; V67-F69 VanDerWaalsContact C-N 3.31Å; V67-F69 PolarHBondContact O-N 2.82Å; F69-R72 PolarHBondContact O-N 2.86Å; F69-Y73 WeakPolarHBondContact O-CB 3.37Å; F69-Y73 PolarHBondContact O-N 2.77Å; F69-K80 HydrophobicContact CD2-CB 4.39Å; F69-K80 HydrophobicContact CD2-CD 4.08Å; F69-K80 HydrophobicContact CE2-CB 4Å; F69-K80 HydrophobicContact CE2-CD 4.45Å; F69-F156 HydrophobicContact CD2-CE1 4.03Å
70	T	83.1	Confident	82.3	Confident	37 Å²	37	68.8 Å²	68.8	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-41.6	-178.5	-59	0	0	0	0	111.3	F66 V67 Y73 Q74	F66-T70 WeakPolarHBondContact O-CB 3.48Å; F66-T70 PolarHBondContact O-N 3.11Å; F66-T70 PolarHBondContact O-OG1 3.02Å; V67-T70 PolarHBondContact O-N 2.82Å; V67-T70 VanDerWaalsContact O-N 3.12Å; T70-Y73 PolarHBondContact O-N 2.95Å; T70-Q74 WeakPolarHBondContact O-CG 3.2Å; T70-Q74 PolarHBondContact O-N 3.35Å
71	E	85.4	Confident	82.6	Confident	87 Å²	87	66.5 Å²	66.5	41%	0.407	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-45.6	174.9	-165.6	-158.3	141.5	0	0	111.3	V67 Y73 Q74 Q75	V67-E71 PolarHBondContact O-N 2.91Å; E71-Y73 VanDerWaalsContact C-N 3.3Å; E71-Y73 PolarHBondContact O-N 2.95Å; E71-Q74 PolarHBondContact O-N 3.26Å; E71-Q75 WeakPolarHBondContact O-CG 2.96Å; E71-Q75 PolarHBondContact O-N 3.39Å; E71-Q75 PolarHBondContact OE1-NE2 2.96Å
72	R	85	Confident	82.9	Confident	58 Å²	58	67.2 Å²	67.2	22%	0.219	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-37	175.8	-65.6	-70.5	179.7	-135.9	-9.3	111.7	D68 F69 Q75 G76 F77 F156	D68-R72 WeakPolarHBondContact O-CB 3.45Å; D68-R72 WeakPolarHBondContact O-CG 3.34Å; D68-R72 PolarHBondContact O-N 3.37Å; F69-R72 PolarHBondContact O-N 2.86Å; R72-Q75 WeakPolarHBondContact O-CB 3.5Å; R72-Q75 PolarHBondContact O-N 3.34Å; R72-G76 PolarHBondContact O-N 2.94Å; R72-F77 HydrophobicContact CB-CD2 4.36Å; R72-F77 WeakPolarHBondContact O-CB 3.24Å; R72-F77 WeakPolarHBondContact O-CD2 3.29Å; R72-F77 PolarHBondContact O-N 2.91Å; R72-F77 VanDerWaalsContact O-N 3.15Å; R72-F156 HydrophobicContact CB-CD1 4.01Å; R72-F156 HydrophobicContact CB-CE1 4.14Å; R72-F156 HydrophobicContact CB-CG 4.47Å; R72-F156 HydrophobicContact CG-CD1 4.28Å; R72-F156 HydrophobicContact CG-CE1 4.16Å; R72-F156 HydrophobicContact CG-CE2 4.44Å; R72-F156 HydrophobicContact CG-CG 4.45Å; R72-F156 HydrophobicContact CG-CZ 4.25Å
73	Y	83.9	Confident	83.2	Confident	77 Å²	77	64 Å²	64	30%	0.302	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-41.3	176.2	-175	-95.5	0	0	0	112.1	F69 T70 E71 Q75 G76 F77 T78	F69-Y73 WeakPolarHBondContact O-CB 3.37Å; F69-Y73 PolarHBondContact O-N 2.77Å; T70-Y73 PolarHBondContact O-N 2.95Å; E71-Y73 VanDerWaalsContact C-N 3.3Å; E71-Y73 PolarHBondContact O-N 2.95Å; Y73-Q75 PolarHBondContact O-N 2.88Å; Y73-G76 PolarHBondContact O-N 2.82Å; Y73-F77 WeakPolarHBondContact CA-O 3.49Å; Y73-T78 HydrophobicContact CE2-CG2 4.26Å
74	Q	83.6	Confident	83.1	Confident	152 Å²	152	66.2 Å²	66.2	71%	0.71	32%	0.315	S	S	*	.	H	α-helix	trans	-62.2	-32.6	172.8	-71.2	174.6	4.9	0	0	112.3	T70 E71 G76	T70-Q74 WeakPolarHBondContact O-CG 3.2Å; T70-Q74 PolarHBondContact O-N 3.35Å; E71-Q74 PolarHBondContact O-N 3.26Å; Q74-G76 PolarHBondContact O-N 2.88Å
75	Q	83.8	Confident	83	Confident	88 Å²	88	63.7 Å²	63.7	41%	0.411	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-1.1	173.4	-68	166	8.7	0	0	113.7	E71 R72 Y73 F77	E71-Q75 WeakPolarHBondContact O-CG 2.96Å; E71-Q75 PolarHBondContact O-N 3.39Å; E71-Q75 PolarHBondContact OE1-NE2 2.96Å; R72-Q75 WeakPolarHBondContact O-CB 3.5Å; R72-Q75 PolarHBondContact O-N 3.34Å; Y73-Q75 PolarHBondContact O-N 2.88Å; Q75-F77 HydrophobicContact CB-CD2 4.03Å; Q75-F77 HydrophobicContact CB-CE2 4.09Å
76	G	81.8	Confident	82.8	Confident	17 Å²	17	61.4 Å²	61.4	18%	0.175	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-3	175.8	0	0	0	0	0	115.2	R72 Y73 Q74 T78	R72-G76 PolarHBondContact O-N 2.94Å; Y73-G76 PolarHBondContact O-N 2.82Å; Q74-G76 PolarHBondContact O-N 2.88Å; G76-T78 PolarHBondContact O-N 2.81Å
77	F	86.4	Confident	82.1	Confident	20 Å²	20	63.6 Å²	63.6	9%	0.088	30%	0.299	C	S	.	.			trans	-78.1	113.4	178	-60.2	-77.2	0	0	0	110.9	R72 Y73 Q75 F156 D158 K210	R72-F77 HydrophobicContact CB-CD2 4.36Å; R72-F77 WeakPolarHBondContact O-CB 3.24Å; R72-F77 WeakPolarHBondContact O-CD2 3.29Å; R72-F77 PolarHBondContact O-N 2.91Å; R72-F77 VanDerWaalsContact O-N 3.15Å; Y73-F77 WeakPolarHBondContact CA-O 3.49Å; Q75-F77 HydrophobicContact CB-CD2 4.03Å; Q75-F77 HydrophobicContact CB-CE2 4.09Å; F77-F156 HydrophobicContact CB-CB 3.87Å; F77-F156 HydrophobicContact CD1-CB 3.97Å; F77-F156 WeakPolarHBondContact CD1-O 3.33Å; F77-F156 HydrophobicContact CG-CB 3.89Å; F77-D158 HydrophobicContact CD1-CB 4.14Å; F77-D158 HydrophobicContact CE1-CB 4.45Å; F77-K210 HydrophobicContact CE1-CB 3.99Å; F77-K210 HydrophobicContact CE2-CB 4.16Å; F77-K210 HydrophobicContact CZ-CB 3.77Å
78	T	82.1	Confident	80.9	Confident	46 Å²	46	62.5 Å²	62.5	28%	0.282	30%	0.3	S	S	.	.			trans	-99.5	-17.3	-172.3	51.6	0	0	0	0	113.7	Y73 G76 V157	Y73-T78 HydrophobicContact CE2-CG2 4.26Å; G76-T78 PolarHBondContact O-N 2.81Å; T78-V157 PolarHBondContact N-O 3.08Å
79	T	84.3	Confident	79.9	Confident	23 Å²	23	67.4 Å²	67.4	14%	0.141	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.5	-175.6	-52.8	0	0	0	0	110.4	Y81 F156 V157 K159	T79-Y81 HydrophobicContact CG2-CD2 4.3Å; T79-Y81 HydrophobicContact CG2-CE1 4.04Å; T79-Y81 HydrophobicContact CG2-CE2 3.64Å; T79-Y81 VanDerWaalsContact CG2-CZ 3.48Å; T79-F156 CarbonylContact O-C 3.56Å; T79-F156 WeakPolarHBondContact O-CA 3.48Å; T79-V157 PolarHBondContact N-O 3.03Å; T79-V157 PolarHBondContact O-N 3.4Å; T79-K159 WeakPolarHBondContact OG1-CE 3.32Å; T79-K159 PolarHBondContact OG1-NZ 2.86Å
80	K	85.8	Confident	79.1	Confident	77 Å²	77	73.1 Å²	73.1	34%	0.335	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122	175.7	176.7	-176.8	177.6	179.3	0	109	F69 M154 F156	F69-K80 HydrophobicContact CD2-CB 4.39Å; F69-K80 HydrophobicContact CD2-CD 4.08Å; F69-K80 HydrophobicContact CE2-CB 4Å; F69-K80 HydrophobicContact CE2-CD 4.45Å; K80-M154 WeakPolarHBondContact CE-SD 3.33Å; K80-F156 HydrophobicContact CB-CD1 4.15Å; K80-F156 HydrophobicContact CB-CE1 4.17Å; K80-F156 HydrophobicContact CD-CE1 3.94Å; K80-F156 HydrophobicContact CD-CZ 4.26Å; K80-F156 HydrophobicContact CG-CD1 4.27Å; K80-F156 HydrophobicContact CG-CE1 3.95Å; K80-F156 HydrophobicContact CG-CZ 4.38Å
81	Y	85.8	Confident	78.2	Confident	57 Å²	57	78.2 Å²	78.2	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.9	168.3	-63.1	-68.4	0	0	0	108.8	T79 M154 I155 V157 L178 L181 H182	T79-Y81 HydrophobicContact CG2-CD2 4.3Å; T79-Y81 HydrophobicContact CG2-CE1 4.04Å; T79-Y81 HydrophobicContact CG2-CE2 3.64Å; T79-Y81 VanDerWaalsContact CG2-CZ 3.48Å; Y81-M154 CarbonylContact O-C 3.51Å; Y81-M154 VanDerWaalsContact O-CA 3.29Å; Y81-M154 WeakPolarHBondContact O-CA 3.26Å; Y81-I155 PolarHBondContact N-O 3.13Å; Y81-I155 PolarHBondContact O-N 2.81Å; Y81-V157 HydrophobicContact CD2-CG2 3.74Å; Y81-V157 HydrophobicContact CE2-CB 4.38Å; Y81-V157 HydrophobicContact CE2-CG2 3.77Å; Y81-L178 HydrophobicContact CE2-CD1 4.02Å; Y81-L181 HydrophobicContact CD2-CD2 4.37Å; Y81-H182 AromaticContact CD1-NE2 3.65Å; Y81-H182 AromaticContact CE1-CE1 3.88Å; Y81-H182 AromaticContact CE1-NE2 3.08Å; Y81-H182 WeakPolarHBondContact CE1-NE2 3.5Å; Y81-H182 AromaticContact CE2-NE2 3.68Å; Y81-H182 AromaticContact CZ-CE1 3.91Å; Y81-H182 AromaticContact CZ-NE2 3.09Å; Y81-H182 PolarHBondContact OH-NE2 2.64Å
82	K	85.8	Confident	77.3	Confident	67 Å²	67	76.2 Å²	76.2	29%	0.291	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.5	172	179.5	177.4	-176.5	-168.4	0	107.4	Y84 E150 M154	K82-Y84 HydrophobicContact CG-CD1 4.47Å; K82-E150 WeakPolarHBondContact CE-OE1 2.91Å; K82-E150 IonicContact NZ-OE1 2.66Å; K82-E150 PolarHBondContact NZ-OE1 3.4Å; K82-E150 IonicContact NZ-OE2 3.03Å; K82-M154 HydrophobicContact CB-CG 3.98Å; K82-M154 HydrophobicContact CB-SD 4.47Å; K82-M154 HydrophobicContact CD-CG 4.17Å; K82-M154 HydrophobicContact CD-SD 4.06Å; K82-M154 HydrophobicContact CG-CG 3.77Å; K82-M154 HydrophobicContact CG-SD 4.29Å
83	I	84.9	Confident	76.1	Confident	46 Å²	46	78.6 Å²	78.6	24%	0.236	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.7	164	64.3	175.4	0	0	0	107.3	S152 L153 A185 Y188 F189	I83-S152 CarbonylContact O-C 3.43Å; I83-S152 WeakPolarHBondContact O-CA 3.13Å; I83-S152 WeakPolarHBondContact O-CB 3.44Å; I83-L153 HydrophobicContact CD1-CB 4.09Å; I83-L153 HydrophobicContact CD1-CD2 3.91Å; I83-L153 HydrophobicContact CG1-CB 3.71Å; I83-L153 HydrophobicContact CG1-CD2 4.32Å; I83-L153 HydrophobicContact CG1-CG 4.45Å; I83-L153 PolarHBondContact N-O 2.9Å; I83-L153 PolarHBondContact O-N 2.84Å; I83-A185 HydrophobicContact CD1-CB 4.17Å; I83-A185 WeakPolarHBondContact CD1-O 3.47Å; I83-Y188 HydrophobicContact CD1-CD1 4.03Å; I83-Y188 HydrophobicContact CD1-CG 4.26Å; I83-F189 HydrophobicContact CB-CE2 4.21Å; I83-F189 HydrophobicContact CB-CZ 4.46Å; I83-F189 HydrophobicContact CD1-CE2 4.14Å; I83-F189 HydrophobicContact CD1-CZ 4.42Å; I83-F189 HydrophobicContact CG1-CE2 4.23Å; I83-F189 HydrophobicContact CG1-CZ 4.22Å
84	Y	79.3	Confident	75	Confident	86 Å²	86	77.6 Å²	77.6	34%	0.337	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151.4	-178.9	67	-81.9	0	0	0	110.5	K82 E86 E151 S152 E239	K82-Y84 HydrophobicContact CG-CD1 4.47Å; Y84-E86 HydrophobicContact CD2-CG 4.16Å; Y84-E86 HydrophobicContact CE2-CG 4.24Å; Y84-E151 CarbonylContact C-O 3.26Å; Y84-E151 WeakPolarHBondContact CA-O 3.41Å; Y84-S152 VanDerWaalsContact CB-CB 3.42Å; Y84-E239 WeakPolarHBondContact CE1-OE1 3.35Å; Y84-E239 VanDerWaalsContact CZ-OE2 3.23Å; Y84-E239 PolarHBondContact OH-OE1 3.47Å; Y84-E239 PolarHBondContact OH-OE2 2.65Å
85	R	75.9	Confident	73.9	Confident	77 Å²	77	74 Å²	74	29%	0.291	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.5	166.3	70.7	177.9	167.9	-169.2	3.7	108.7	F87 E151 F189	R85-F87 HydrophobicContact CG-CE1 4.39Å; R85-F87 HydrophobicContact CG-CE2 4.14Å; R85-F87 HydrophobicContact CG-CZ 4Å; R85-E151 HydrophobicContact CG-CB 3.9Å; R85-E151 HydrophobicContact CG-CG 4.43Å; R85-E151 IonicContact CZ-OE1 3.63Å; R85-E151 IonicContact CZ-OE2 3.14Å; R85-E151 PolarHBondContact N-O 3.3Å; R85-E151 VanDerWaalsContact NE-CD 3.28Å; R85-E151 IonicContact NE-OE1 3.73Å; R85-E151 IonicContact NE-OE2 2.84Å; R85-E151 PolarHBondContact NE-OE2 2.89Å; R85-E151 IonicContact NH2-OE1 2.95Å; R85-E151 PolarHBondContact NH2-OE1 2.82Å; R85-E151 IonicContact NH2-OE2 2.66Å; R85-E151 PolarHBondContact NH2-OE2 2.84Å; R85-E151 PolarHBondContact O-N 3.14Å; R85-F189 HydrophobicContact CB-CD1 4.05Å; R85-F189 HydrophobicContact CB-CE1 3.65Å; R85-F189 HydrophobicContact CB-CE2 4.41Å; R85-F189 HydrophobicContact CB-CZ 3.87Å; R85-F189 HydrophobicContact CG-CD1 3.71Å; R85-F189 HydrophobicContact CG-CE1 3.38Å; R85-F189 HydrophobicContact CG-CZ 4.11Å; R85-F189 PolarHBondContact NH1-O 2.88Å
86	E	72.3	Confident	72.7	Confident	73 Å²	73	70.9 Å²	70.9	34%	0.341	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137	173.3	-64.2	178.8	175.1	0	0	109.5	Y84 G149	Y84-E86 HydrophobicContact CD2-CG 4.16Å; Y84-E86 HydrophobicContact CE2-CG 4.24Å; E86-G149 CarbonylContact C-O 3.34Å; E86-G149 WeakPolarHBondContact CA-O 3.44Å
87	F	66.1	Low	71.3	Confident	76 Å²	76	76.1 Å²	76.1	33%	0.333	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.3	174.8	-61.6	-73.3	0	0	0	110.2	R85 G148 G149 E151 L219	R85-F87 HydrophobicContact CG-CE1 4.39Å; R85-F87 HydrophobicContact CG-CE2 4.14Å; R85-F87 HydrophobicContact CG-CZ 4Å; F87-G148 WeakPolarHBondContact O-CA 3.44Å; F87-G149 PolarHBondContact N-O 3.02Å; F87-G149 PolarHBondContact O-N 2.89Å; F87-E151 HydrophobicContact CD2-CB 4.45Å; F87-E151 HydrophobicContact CE2-CB 3.57Å; F87-E151 VanDerWaalsContact CE2-OE2 3.27Å; F87-E151 WeakPolarHBondContact CE2-OE2 3.2Å; F87-E151 HydrophobicContact CZ-CB 4.27Å; F87-E151 WeakPolarHBondContact CZ-OE2 3.41Å; F87-L219 HydrophobicContact CD2-CD2 4.39Å; F87-L219 HydrophobicContact CE2-CD2 4.03Å
88	G	58.3	Low	69.6	Low	41 Å²	41	82.9 Å²	82.9	42%	0.423	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.9	104.7	174.1	0	0	0	0	0	112.8	W90 G148	G88-W90 PolarHBondContact O-N 2.91Å; G88-G148 WeakPolarHBondContact O-CA 3.36Å
89	R	61.8	Low	68.1	Low	167 Å²	167	91.9 Å²	91.9	63%	0.63	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	82.6	178.5	-164.4	179	-169.8	172.3	11.6	110.3	K91 M146	R89-K91 PolarHBondContact O-N 3.13Å; R89-M146 HydrophobicContact CG-SD 4.17Å; R89-M146 VanDerWaalsContact CZ-SD 3.57Å; R89-M146 PolarHBondContact NE-SD 3.4Å; R89-M146 PolarHBondContact NH2-SD 3.09Å
90	W	64.8	Low	66.5	Low	164 Å²	164	97.8 Å²	97.8	62%	0.621	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	101	176.7	-56.9	82.3	0	0	0	108.4	G88 V92 M146 L147	G88-W90 PolarHBondContact O-N 2.91Å; W90-V92 HydrophobicContact CB-CG2 4.45Å; W90-V92 PolarHBondContact O-N 3.29Å; W90-M146 WeakPolarHBondContact O-CA 3.38Å; W90-L147 HydrophobicContact CB-CB 4.29Å; W90-L147 PolarHBondContact N-O 3Å; W90-L147 PolarHBondContact O-N 3.42Å
91	K	65	Low	64.5	Low	144 Å²	144	102 Å²	102	63%	0.626	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	97	169.7	-170.8	-172.9	-176.5	-167.4	0	107.9	R89 N93	R89-K91 PolarHBondContact O-N 3.13Å; K91-N93 WeakPolarHBondContact CD-OD1 3.36Å; K91-N93 WeakPolarHBondContact CE-OD1 3.47Å; K91-N93 PolarHBondContact O-N 3.08Å
92	V	65.8	Low	62.7	Low	45 Å²	45	107 Å²	107	27%	0.273	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	101.8	172.6	-170.8	0	0	0	0	107.6	W90 L95 S144 A145 L147	W90-V92 HydrophobicContact CB-CG2 4.45Å; W90-V92 PolarHBondContact O-N 3.29Å; V92-L95 HydrophobicContact CB-CD1 4.23Å; V92-L95 HydrophobicContact CB-CD2 4.08Å; V92-L95 HydrophobicContact CB-CG 3.93Å; V92-L95 HydrophobicContact CG1-CD1 4.46Å; V92-L95 HydrophobicContact CG1-CD2 3.59Å; V92-L95 HydrophobicContact CG1-CG 3.63Å; V92-S144 WeakPolarHBondContact O-CA 3.42Å; V92-S144 WeakPolarHBondContact O-CB 3.38Å; V92-A145 PolarHBondContact N-O 3.23Å; V92-A145 VanDerWaalsContact N-O 3.1Å; V92-A145 PolarHBondContact O-N 2.77Å; V92-L147 HydrophobicContact CB-CD1 4.37Å; V92-L147 HydrophobicContact CB-CG 4.44Å; V92-L147 HydrophobicContact CG2-CB 4.35Å; V92-L147 HydrophobicContact CG2-CD1 3.48Å; V92-L147 VanDerWaalsContact CG2-CD1 3.48Å; V92-L147 HydrophobicContact CG2-CG 3.74Å
93	N	59.7	Low	60.6	Low	108 Å²	108	109.7 Å²	109.7	58%	0.578	52%	0.522	S	S	*	.	S	Bend	trans	-73	127.7	168	-65.3	-28.4	0	0	0	107.5	K91	K91-N93 WeakPolarHBondContact CD-OD1 3.36Å; K91-N93 WeakPolarHBondContact CE-OD1 3.47Å; K91-N93 PolarHBondContact O-N 3.08Å
94	S	61.5	Low	59	Low	55 Å²	55	111.7 Å²	111.7	39%	0.385	55%	0.554	S	S	.	*			trans	65.7	66.4	175.5	-134.2	0	0	0	0	114	A96 L143	S94-A96 CarbonylContact C-O 3.21Å; S94-A96 VanDerWaalsContact C-O 3.3Å; S94-A96 WeakPolarHBondContact CA-O 3.28Å; S94-A96 WeakPolarHBondContact CB-O 3.47Å; S94-A96 PolarHBondContact O-N 2.83Å; S94-A96 PolarHBondContact OG-O 2.76Å; S94-L143 CarbonylContact C-O 3.56Å; S94-L143 WeakPolarHBondContact CA-O 3.39Å; S94-L143 PolarHBondContact N-O 2.8Å
95	L	60	Low	57.5	Low	77 Å²	77	116.7 Å²	116.7	40%	0.403	58%	0.577	S	S	.	*	S	Bend	trans	-67	-26.9	166.7	-81.2	163.2	0	0	0	111.6	V92 L142 L143 A145 L147	V92-L95 HydrophobicContact CB-CD1 4.23Å; V92-L95 HydrophobicContact CB-CD2 4.08Å; V92-L95 HydrophobicContact CB-CG 3.93Å; V92-L95 HydrophobicContact CG1-CD1 4.46Å; V92-L95 HydrophobicContact CG1-CD2 3.59Å; V92-L95 HydrophobicContact CG1-CG 3.63Å; L95-L142 HydrophobicContact CB-CD2 4.09Å; L95-L142 HydrophobicContact CD1-CD2 3.16Å; L95-L142 HydrophobicContact CD1-CG 4.49Å; L95-L142 HydrophobicContact CG-CD2 4.21Å; L95-L143 PolarHBondContact N-O 2.94Å; L95-A145 HydrophobicContact CD1-CB 4.08Å; L95-L147 HydrophobicContact CD1-CD2 4.19Å; L95-L147 HydrophobicContact CD1-CG 4.48Å; L95-L147 HydrophobicContact CD2-CD1 4.36Å
96	A	58.5	Low	56.7	Low	22 Å²	22	118.2 Å²	118.2	18%	0.182	60%	0.6	C	S	.	*	S	Bend	trans	-85.5	125.1	157.8	0	0	0	0	0	107.9	S94 F141 L143	S94-A96 CarbonylContact C-O 3.21Å; S94-A96 VanDerWaalsContact C-O 3.3Å; S94-A96 WeakPolarHBondContact CA-O 3.28Å; S94-A96 WeakPolarHBondContact CB-O 3.47Å; S94-A96 PolarHBondContact O-N 2.83Å; S94-A96 PolarHBondContact OG-O 2.76Å; A96-F141 HydrophobicContact CB-CD2 4.34Å; A96-F141 HydrophobicContact CB-CE2 4.17Å; A96-L143 HydrophobicContact CB-CD2 4.45Å
97	L	53.2	Low	56.2	Low	128 Å²	128	119.4 Å²	119.4	67%	0.67	61%	0.608	S	S	*	*			trans	-35.5	143.2	179.1	-86.1	137.9	0	0	0	113.8	P108	L97-P108 HydrophobicContact CD1-CG 4.07Å
98	E	50.3	Low	56.4	Low	162 Å²	162	121 Å²	121	76%	0.757	63%	0.626	S	S	*	*			trans	-29.1	132.1	178	-117.4	176.3	175.9	0	0	113.5	Q100	E98-Q100 PolarHBondContact O-N 3.03Å
99	R	51.6	Low	57.5	Low	235 Å²	235	121 Å²	121	89%	0.887	62%	0.616	S	S	*	*			trans	-63.5	80.8	172.9	-161.6	-178	-167.3	174.6	1.9	108.7	E101	R99-E101 PolarHBondContact O-N 3.27Å; R99-E101 VanDerWaalsContact O-N 3.08Å
100	Q	49.3	Very low	58.5	Low	146 Å²	146	117.1 Å²	117.1	68%	0.682	61%	0.608	S	S	*	*			trans	-73.6	102.7	174.7	-122.2	178.3	9.3	0	0	107.8	E98 N102	E98-Q100 PolarHBondContact O-N 3.03Å; Q100-N102 PolarHBondContact O-N 2.97Å
101	E	44.9	Very low	59.5	Low	167 Å²	167	114 Å²	114	78%	0.78	61%	0.609	S	S	*	*			trans	-55.7	121.2	166.1	-67.2	-175.6	155.4	0	0	109.1	R99 N103	R99-E101 PolarHBondContact O-N 3.27Å; R99-E101 VanDerWaalsContact O-N 3.08Å; E101-N103 PolarHBondContact O-N 3.04Å
102	N	47.1	Very low	60.7	Low	160 Å²	160	111.9 Å²	111.9	86%	0.856	60%	0.601	S	S	*	*	S	Bend	trans	55.8	25.6	151.2	-82	-3.5	0	0	0	121.1	Q100	Q100-N102 PolarHBondContact O-N 2.97Å
103	N	42.8	Very low	61.8	Low	124 Å²	124	110.2 Å²	110.2	66%	0.663	59%	0.59	S	S	*	*			trans	-112.1	62.3	169.8	-93.6	5	0	0	0	113.6	E101 F105	E101-N103 PolarHBondContact O-N 3.04Å; N103-F105 WeakPolarHBondContact O-CD2 3.42Å; N103-F105 PolarHBondContact O-N 2.84Å
104	G	50.9	Low	63.1	Low	88 Å²	88	107.8 Å²	107.8	91%	0.907	58%	0.577	S	S	*	*	S	Bend	trans	56.2	-11	149.3	0	0	0	0	0	121.4
105	F	47.8	Very low	64.5	Low	191 Å²	191	110.3 Å²	110.3	84%	0.838	58%	0.583	S	S	*	*			trans	-98.5	120.6	-179.6	-74.3	-80.4	0	0	0	108.8	N103	N103-F105 WeakPolarHBondContact O-CD2 3.42Å; N103-F105 PolarHBondContact O-N 2.84Å
106	S	58	Low	65.9	Low	110 Å²	110	107.3 Å²	107.3	77%	0.769	57%	0.567	S	S	*	*			trans	-60.3	138.2	174.4	52.8	0	0	0	0	110
107	L	61.9	Low	67.3	Low	98 Å²	98	106.8 Å²	106.8	51%	0.513	56%	0.562	S	S	.	*			trans	-44.9	134.4	168.1	-95.1	100.9	0	0	0	109.2	L109	L107-L109 HydrophobicContact CB-CD2 4.33Å; L107-L109 HydrophobicContact CB-CG 4.41Å; L107-L109 PolarHBondContact O-N 2.86Å
108	P	71.8	Confident	68.9	Low	108 Å²	108	109.8 Å²	109.8	70%	0.701	56%	0.564	S	S	*	*			trans	-68.7	84.8	173.6	28.8	-32.8	0	0	0	108.3	L97	L97-P108 HydrophobicContact CD1-CG 4.07Å
109	L	79.9	Confident	70.8	Confident	43 Å²	43	108.6 Å²	108.6	23%	0.225	56%	0.559	C	S	.	*			trans	-75.1	148	173.8	-64.7	177.6	0	0	0	108.9	L107 F113 L114 I250	L107-L109 HydrophobicContact CB-CD2 4.33Å; L107-L109 HydrophobicContact CB-CG 4.41Å; L107-L109 PolarHBondContact O-N 2.86Å; L109-F113 HydrophobicContact CB-CD1 4.25Å; L109-F113 HydrophobicContact CD1-CD1 4.15Å; L109-F113 HydrophobicContact CD1-CE1 4.08Å; L109-L114 HydrophobicContact CB-CD1 4.1Å; L109-L114 HydrophobicContact CB-CD2 4.09Å; L109-L114 HydrophobicContact CB-CG 3.84Å; L109-L114 HydrophobicContact CD1-CD2 3.9Å; L109-I250 HydrophobicContact CD2-CD1 3.88Å
110	D	83.7	Confident	72.5	Confident	85 Å²	85	98.4 Å²	98.4	46%	0.455	52%	0.521	S	S	.	.			trans	-51.6	130.4	175.9	174.8	64.7	0	0	0	111.1	E112 F113 L114	D110-E112 PolarHBondContact O-N 2.92Å; D110-E112 WeakPolarHBondContact OD2-CB 3.47Å; D110-E112 PolarHBondContact OD2-N 2.9Å; D110-F113 HydrophobicContact CB-CB 4.04Å; D110-F113 WeakPolarHBondContact O-CB 3.2Å; D110-F113 PolarHBondContact O-N 2.76Å; D110-F113 VanDerWaalsContact O-N 3.1Å; D110-F113 PolarHBondContact OD2-N 3.28Å; D110-L114 PolarHBondContact O-N 3.16Å
111	P	86.6	Confident	74.2	Confident	99 Å²	99	93 Å²	93	64%	0.643	51%	0.505	S	S	*	.	H	α-helix	trans	-57.5	-34.3	-177.1	-27.1	34.9	0	0	0	113.5	L114 Q115	P111-L114 PolarHBondContact O-N 2.95Å; P111-Q115 WeakPolarHBondContact O-CB 3.42Å; P111-Q115 PolarHBondContact O-N 3.33Å
112	E	90.1	Very high	76	Confident	99 Å²	99	95.4 Å²	95.4	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-69.6	-41	177.8	-158.6	-164.8	-172.6	0	0	111	D110 Q115 T116 K136	D110-E112 PolarHBondContact O-N 2.92Å; D110-E112 WeakPolarHBondContact OD2-CB 3.47Å; D110-E112 PolarHBondContact OD2-N 2.9Å; E112-Q115 PolarHBondContact O-N 3.47Å; E112-T116 WeakPolarHBondContact O-CB 3.49Å; E112-T116 PolarHBondContact O-N 2.84Å; E112-T116 PolarHBondContact O-OG1 3.16Å; E112-K136 IonicContact OE1-NZ 3.44Å; E112-K136 PolarHBondContact OE1-NZ 3.4Å; E112-K136 IonicContact OE2-NZ 2.81Å; E112-K136 PolarHBondContact OE2-NZ 3.26Å
113	F	89.1	Confident	77.8	Confident	10 Å²	10	98.4 Å²	98.4	4%	0.044	51%	0.506	C	S	.	.	H	α-helix	trans	-60.2	-45.3	172.8	-177.9	-108.7	0	0	0	112	L109 D110 Q115 T116 I117 L133 Y137 L247 I250 L251	L109-F113 HydrophobicContact CB-CD1 4.25Å; L109-F113 HydrophobicContact CD1-CD1 4.15Å; L109-F113 HydrophobicContact CD1-CE1 4.08Å; D110-F113 HydrophobicContact CB-CB 4.04Å; D110-F113 WeakPolarHBondContact O-CB 3.2Å; D110-F113 PolarHBondContact O-N 2.76Å; D110-F113 VanDerWaalsContact O-N 3.1Å; D110-F113 PolarHBondContact OD2-N 3.28Å; F113-Q115 PolarHBondContact O-N 3.33Å; F113-T116 WeakPolarHBondContact O-CB 3.48Å; F113-T116 PolarHBondContact O-N 3.37Å; F113-I117 HydrophobicContact CD1-CD1 3.82Å; F113-I117 HydrophobicContact CE1-CD1 3.38Å; F113-I117 HydrophobicContact CE1-CG1 4.41Å; F113-I117 HydrophobicContact CE2-CD1 4.42Å; F113-I117 HydrophobicContact CZ-CD1 3.73Å; F113-I117 HydrophobicContact CZ-CG1 4.45Å; F113-I117 WeakPolarHBondContact O-CG1 3.45Å; F113-I117 PolarHBondContact O-N 2.92Å; F113-L133 HydrophobicContact CD2-CD2 4.19Å; F113-L133 HydrophobicContact CE2-CD2 3.65Å; F113-L133 HydrophobicContact CZ-CD2 4.4Å; F113-Y137 HydrophobicContact CB-CE1 4.19Å; F113-Y137 AromaticContact CD2-CD1 3.94Å; F113-Y137 HydrophobicContact CD2-CD1 3.94Å; F113-Y137 AromaticContact CD2-CD2 3.68Å; F113-Y137 HydrophobicContact CD2-CD2 3.68Å; F113-Y137 AromaticContact CD2-CE1 3.97Å; F113-Y137 HydrophobicContact CD2-CE1 3.97Å; F113-Y137 AromaticContact CD2-CE2 3.7Å; F113-Y137 HydrophobicContact CD2-CE2 3.7Å; F113-Y137 AromaticContact CD2-CG 3.8Å; F113-Y137 HydrophobicContact CD2-CG 3.8Å; F113-Y137 AromaticContact CD2-CZ 3.86Å; F113-Y137 HydrophobicContact CE2-CD2 4Å; F113-Y137 HydrophobicContact CE2-CE2 4.43Å; F113-Y137 HydrophobicContact CE2-CG 4.07Å; F113-L247 HydrophobicContact CE2-CD2 4.12Å; F113-L247 HydrophobicContact CZ-CD1 4.31Å; F113-L247 HydrophobicContact CZ-CD2 4.2Å; F113-L247 HydrophobicContact CZ-CG 4.33Å; F113-I250 HydrophobicContact CE1-CD1 3.72Å; F113-I250 HydrophobicContact CE1-CG1 4.49Å; F113-I250 HydrophobicContact CZ-CD1 3.93Å; F113-L251 HydrophobicContact CZ-CD2 3.97Å
114	L	86.9	Confident	80	Confident	56 Å²	56	92.8 Å²	92.8	29%	0.293	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-40.7	175.9	-75.3	172.6	0	0	0	112.4	L109 D110 P111 T116 I117 R118	L109-L114 HydrophobicContact CB-CD1 4.1Å; L109-L114 HydrophobicContact CB-CD2 4.09Å; L109-L114 HydrophobicContact CB-CG 3.84Å; L109-L114 HydrophobicContact CD1-CD2 3.9Å; D110-L114 PolarHBondContact O-N 3.16Å; P111-L114 PolarHBondContact O-N 2.95Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-I117 PolarHBondContact O-N 3.48Å; L114-R118 VanDerWaalsContact O-CG 3.32Å; L114-R118 WeakPolarHBondContact O-CG 3.2Å; L114-R118 PolarHBondContact O-N 2.87Å
115	Q	89.1	Confident	81.8	Confident	109 Å²	109	91.9 Å²	91.9	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-42.4	175.5	-175	172.9	1.6	0	0	111.2	P111 E112 F113 I117 R118 Q119	P111-Q115 WeakPolarHBondContact O-CB 3.42Å; P111-Q115 PolarHBondContact O-N 3.33Å; E112-Q115 PolarHBondContact O-N 3.47Å; F113-Q115 PolarHBondContact O-N 3.33Å; Q115-I117 PolarHBondContact O-N 2.8Å; Q115-R118 PolarHBondContact O-N 3.49Å; Q115-Q119 WeakPolarHBondContact O-CG 3.42Å; Q115-Q119 PolarHBondContact O-N 3.17Å
116	T	89.6	Confident	83.7	Confident	13 Å²	13	84 Å²	84	8%	0.08	42%	0.423	C	S	.	.	H	α-helix	trans	-60.9	-45.1	176.2	-54.7	0	0	0	0	111.5	E112 F113 L114 R118 Q119 L120 N132 L133 Y137	E112-T116 WeakPolarHBondContact O-CB 3.49Å; E112-T116 PolarHBondContact O-N 2.84Å; E112-T116 PolarHBondContact O-OG1 3.16Å; F113-T116 WeakPolarHBondContact O-CB 3.48Å; F113-T116 PolarHBondContact O-N 3.37Å; L114-T116 VanDerWaalsContact C-N 3.33Å; T116-R118 VanDerWaalsContact C-N 3.32Å; T116-R118 PolarHBondContact O-N 2.87Å; T116-Q119 PolarHBondContact O-N 3.48Å; T116-L120 WeakPolarHBondContact O-CG 3.23Å; T116-L120 PolarHBondContact O-N 3.38Å; T116-N132 HydrophobicContact CG2-CB 3.94Å; T116-L133 HydrophobicContact CG2-CD2 4.15Å; T116-Y137 HydrophobicContact CG2-CE2 4.48Å
117	I	88.3	Confident	85	Confident	11 Å²	11	87.9 Å²	87.9	6%	0.056	42%	0.42	C	S	.	.	H	α-helix	trans	-60.8	-41.5	175.5	-69.2	171.8	0	0	0	111.4	F113 L114 Q115 L120 L133 L251 P252 L255	F113-I117 HydrophobicContact CD1-CD1 3.82Å; F113-I117 HydrophobicContact CE1-CD1 3.38Å; F113-I117 HydrophobicContact CE1-CG1 4.41Å; F113-I117 HydrophobicContact CE2-CD1 4.42Å; F113-I117 HydrophobicContact CZ-CD1 3.73Å; F113-I117 HydrophobicContact CZ-CG1 4.45Å; F113-I117 WeakPolarHBondContact O-CG1 3.45Å; F113-I117 PolarHBondContact O-N 2.92Å; L114-I117 PolarHBondContact O-N 3.48Å; Q115-I117 PolarHBondContact O-N 2.8Å; I117-L120 PolarHBondContact O-N 2.76Å; I117-L133 HydrophobicContact CG1-CD2 4.23Å; I117-L251 HydrophobicContact CD1-CD2 3.68Å; I117-L251 HydrophobicContact CG1-CD2 4.16Å; I117-P252 HydrophobicContact CG2-CG 4.03Å; I117-L255 HydrophobicContact CG2-CD1 4.13Å
118	R	87.7	Confident	86.4	Confident	191 Å²	191	84.4 Å²	84.4	72%	0.721	41%	0.406	S	S	*	.	H	α-helix	trans	-65.4	-39.8	178.5	-71.7	172.5	-173.4	162.4	3.2	111.7	L114 Q115 T116 L120 G121	L114-R118 VanDerWaalsContact O-CG 3.32Å; L114-R118 WeakPolarHBondContact O-CG 3.2Å; L114-R118 PolarHBondContact O-N 2.87Å; Q115-R118 PolarHBondContact O-N 3.49Å; T116-R118 VanDerWaalsContact C-N 3.32Å; T116-R118 PolarHBondContact O-N 2.87Å; R118-L120 VanDerWaalsContact C-N 3.32Å; R118-L120 PolarHBondContact O-N 3.47Å; R118-G121 PolarHBondContact O-N 2.94Å
119	Q	89.1	Confident	87.3	Confident	138 Å²	138	79.3 Å²	79.3	65%	0.645	37%	0.373	S	S	*	.	H	α-helix	trans	-66.5	-30.4	179	-74.3	174.5	-4.2	0	0	113.2	Q115 T116 G121	Q115-Q119 WeakPolarHBondContact O-CG 3.42Å; Q115-Q119 PolarHBondContact O-N 3.17Å; T116-Q119 PolarHBondContact O-N 3.48Å; Q119-G121 PolarHBondContact O-N 3.25Å
120	L	88.3	Confident	87.7	Confident	20 Å²	20	77.9 Å²	77.9	11%	0.105	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.6	176.6	-75.3	169.3	0	0	0	114.1	T116 I117 R118 P124 A128 N132 L133	T116-L120 WeakPolarHBondContact O-CG 3.23Å; T116-L120 PolarHBondContact O-N 3.38Å; I117-L120 PolarHBondContact O-N 2.76Å; R118-L120 VanDerWaalsContact C-N 3.32Å; R118-L120 PolarHBondContact O-N 3.47Å; L120-P124 HydrophobicContact CB-CB 4.17Å; L120-P124 HydrophobicContact CB-CG 4.3Å; L120-P124 HydrophobicContact CD2-CB 4.08Å; L120-P124 WeakPolarHBondContact O-CB 3.48Å; L120-A128 HydrophobicContact CD2-CB 3.91Å; L120-A128 WeakPolarHBondContact CD2-O 3.38Å; L120-N132 HydrophobicContact CD2-CB 4.23Å; L120-L133 HydrophobicContact CD1-CD1 3.36Å; L120-L133 HydrophobicContact CD1-CD2 4.4Å; L120-L133 HydrophobicContact CD1-CG 3.65Å
121	G	84.7	Confident	88	Confident	32 Å²	32	76.7 Å²	76.7	33%	0.33	36%	0.359	S	S	.	.			trans	68.7	-166.2	-180	0	0	0	0	0	114.3	R118 Q119 Y254	R118-G121 PolarHBondContact O-N 2.94Å; Q119-G121 PolarHBondContact O-N 3.25Å; G121-Y254 WeakPolarHBondContact O-CE2 3.35Å
122	R	82.5	Confident	88.2	Confident	218 Å²	218	75.4 Å²	75.4	82%	0.823	35%	0.347	S	S	*	.	S	Bend	trans	-82.8	-24.9	-174.2	-70.8	-175.4	179.2	177.2	0.1	114.6	Y254	R122-Y254 VanDerWaalsContact O-CD2 3.3Å; R122-Y254 WeakPolarHBondContact O-CD2 3.35Å
123	R	84.2	Confident	88.2	Confident	223 Å²	223	70.8 Å²	70.8	84%	0.842	33%	0.325	S	S	*	.	S	Bend	trans	-136.8	63.4	-177.4	-67.4	-174	178	-175.6	0.2	111.5
124	P	89.3	Confident	88.3	Confident	7 Å²	7	70.5 Å²	70.5	5%	0.045	32%	0.324	C	S	.	.			trans	-64.3	151.2	175.9	25.6	-32.4	0	0	0	111.7	L120 A128 I129 L255 R258	L120-P124 HydrophobicContact CB-CB 4.17Å; L120-P124 HydrophobicContact CB-CG 4.3Å; L120-P124 HydrophobicContact CD2-CB 4.08Å; L120-P124 WeakPolarHBondContact O-CB 3.48Å; P124-A128 HydrophobicContact CB-CB 4.45Å; P124-I129 HydrophobicContact CB-CD1 4.49Å; P124-I129 HydrophobicContact CB-CG1 4.01Å; P124-I129 HydrophobicContact CG-CD1 4.02Å; P124-I129 HydrophobicContact CG-CG1 3.9Å; P124-L255 HydrophobicContact CG-CD2 3.41Å; P124-L255 VanDerWaalsContact CG-CD2 3.41Å; P124-R258 PolarHBondContact O-NH1 3.48Å
125	S	88.6	Confident	88.4	Confident	68 Å²	68	74 Å²	74	48%	0.476	33%	0.334	S	S	.	.			trans	-70.2	156	167.3	67.9	0	0	0	0	110.1	R127 A128 I129	S125-R127 VanDerWaalsContact C-N 3.25Å; S125-R127 PolarHBondContact O-N 3.41Å; S125-A128 PolarHBondContact O-N 2.95Å; S125-A128 WeakPolarHBondContact OG-CB 3.35Å; S125-A128 PolarHBondContact OG-N 2.78Å; S125-I129 PolarHBondContact O-N 2.82Å
126	L	87.6	Confident	88.5	Confident	26 Å²	26	73.8 Å²	73.8	14%	0.136	33%	0.331	C	S	.	.	H	α-helix	trans	-58.7	-40.5	178.4	-63.5	176.4	0	0	0	111.4	A128 I129 T130 R258 Q261 A262 Q274	L126-A128 PolarHBondContact O-N 2.87Å; L126-I129 WeakPolarHBondContact O-CB 3.42Å; L126-I129 PolarHBondContact O-N 3.27Å; L126-T130 PolarHBondContact O-N 3.22Å; L126-T130 PolarHBondContact O-OG1 3.36Å; L126-R258 HydrophobicContact CD2-CB 4.39Å; L126-R258 WeakPolarHBondContact CD2-O 3.48Å; L126-Q261 HydrophobicContact CD1-CG 4.1Å; L126-Q261 HydrophobicContact CD2-CB 4.11Å; L126-Q261 HydrophobicContact CD2-CG 4.15Å; L126-A262 HydrophobicContact CB-CB 4.42Å; L126-A262 HydrophobicContact CD2-CB 4.17Å; L126-Q274 HydrophobicContact CD1-CG 4.47Å
127	R	86.6	Confident	88.4	Confident	191 Å²	191	76.1 Å²	76.1	72%	0.721	34%	0.339	S	S	*	.	H	α-helix	trans	-61.5	-42.8	176.7	-169.8	169.1	-175.7	160.7	3.5	112.6	S125 I129 T130 D131	S125-R127 VanDerWaalsContact C-N 3.25Å; S125-R127 PolarHBondContact O-N 3.41Å; R127-I129 VanDerWaalsContact C-N 3.28Å; R127-I129 PolarHBondContact O-N 2.75Å; R127-T130 PolarHBondContact O-N 2.92Å; R127-T130 VanDerWaalsContact O-N 3.12Å; R127-D131 WeakPolarHBondContact CG-OD2 3.31Å; R127-D131 PolarHBondContact O-N 2.8Å
128	A	89.9	Confident	88.4	Confident	25 Å²	25	77 Å²	77	21%	0.207	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-35.3	176.7	0	0	0	0	0	112.4	L120 P124 S125 L126 N132	L120-A128 HydrophobicContact CD2-CB 3.91Å; L120-A128 WeakPolarHBondContact CD2-O 3.38Å; P124-A128 HydrophobicContact CB-CB 4.45Å; S125-A128 PolarHBondContact O-N 2.95Å; S125-A128 WeakPolarHBondContact OG-CB 3.35Å; S125-A128 PolarHBondContact OG-N 2.78Å; L126-A128 PolarHBondContact O-N 2.87Å; A128-N132 WeakPolarHBondContact O-CB 3.21Å; A128-N132 PolarHBondContact O-N 2.89Å; A128-N132 VanDerWaalsContact O-N 3.17Å; A128-N132 PolarHBondContact O-ND2 2.75Å
129	I	90.6	Very high	88.5	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-44.4	173.2	-62.6	171.7	0	0	0	110.4	P124 S125 L126 R127 L133 I134 R258 F259 A262	P124-I129 HydrophobicContact CB-CD1 4.49Å; P124-I129 HydrophobicContact CB-CG1 4.01Å; P124-I129 HydrophobicContact CG-CD1 4.02Å; P124-I129 HydrophobicContact CG-CG1 3.9Å; S125-I129 PolarHBondContact O-N 2.82Å; L126-I129 WeakPolarHBondContact O-CB 3.42Å; L126-I129 PolarHBondContact O-N 3.27Å; R127-I129 VanDerWaalsContact C-N 3.28Å; R127-I129 PolarHBondContact O-N 2.75Å; I129-L133 HydrophobicContact CG2-CB 4.47Å; I129-L133 HydrophobicContact CG2-CD1 4.26Å; I129-L133 WeakPolarHBondContact O-CA 3.46Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 PolarHBondContact O-N 3.44Å; I129-I134 HydrophobicContact CG2-CD1 4.21Å; I129-I134 HydrophobicContact CG2-CG1 4.47Å; I129-I134 PolarHBondContact O-N 3.27Å; I129-I134 VanDerWaalsContact O-N 3.16Å; I129-R258 HydrophobicContact CD1-CB 3.66Å; I129-F259 HydrophobicContact CG2-CB 4.46Å; I129-F259 HydrophobicContact CG2-CD2 3.66Å; I129-F259 HydrophobicContact CG2-CE2 4.39Å; I129-F259 HydrophobicContact CG2-CG 4.47Å; I129-A262 HydrophobicContact CB-CB 4.06Å; I129-A262 HydrophobicContact CG2-CB 3.86Å
130	T	89.8	Confident	88.4	Confident	13 Å²	13	66.8 Å²	66.8	8%	0.08	31%	0.313	C	S	.	.	I	π-helix	trans	-61.5	-50.6	179.7	-55.1	0	0	0	0	112.1	L126 R127 I134 R135 Y266 E271	L126-T130 PolarHBondContact O-N 3.22Å; L126-T130 PolarHBondContact O-OG1 3.36Å; R127-T130 PolarHBondContact O-N 2.92Å; R127-T130 VanDerWaalsContact O-N 3.12Å; T130-I134 HydrophobicContact CG2-CB 4.49Å; T130-I134 PolarHBondContact O-N 3.21Å; T130-R135 PolarHBondContact O-N 2.94Å; T130-Y266 HydrophobicContact CG2-CD2 3.63Å; T130-Y266 HydrophobicContact CG2-CE2 4.39Å; T130-Y266 HydrophobicContact CG2-CG 4.28Å; T130-E271 HydrophobicContact CG2-CG 4.27Å; T130-E271 VanDerWaalsContact CG2-OE1 3.23Å; T130-E271 WeakPolarHBondContact CG2-OE1 3.26Å
131	D	89.9	Confident	88.2	Confident	59 Å²	59	67.9 Å²	67.9	32%	0.316	32%	0.317	S	S	.	.	I	π-helix	trans	-68.5	-40.9	-175.5	-70.5	-40	0	0	0	112.6	R127 R135	R127-D131 WeakPolarHBondContact CG-OD2 3.31Å; R127-D131 PolarHBondContact O-N 2.8Å; D131-R135 IonicContact OD1-CZ 3.98Å; D131-R135 VanDerWaalsContact OD1-CZ 3.31Å; D131-R135 IonicContact OD1-NH1 2.79Å; D131-R135 PolarHBondContact OD1-NH1 3.03Å; D131-R135 IonicContact OD1-NH2 2.87Å; D131-R135 PolarHBondContact OD1-NH2 2.94Å
132	N	90.4	Very high	88	Confident	73 Å²	73	68.4 Å²	68.4	39%	0.39	31%	0.312	S	S	.	.	I	π-helix	trans	-94.4	-29.1	-173.3	-62.4	-69.5	0	0	0	114.2	T116 L120 A128	T116-N132 HydrophobicContact CG2-CB 3.94Å; L120-N132 HydrophobicContact CD2-CB 4.23Å; A128-N132 WeakPolarHBondContact O-CB 3.21Å; A128-N132 PolarHBondContact O-N 2.89Å; A128-N132 VanDerWaalsContact O-N 3.17Å; A128-N132 PolarHBondContact O-ND2 2.75Å
133	L	91	Very high	87.7	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	28%	0.282	C	S	.	.	I	π-helix	trans	-107	-59.7	180	-69.6	170.1	0	0	0	112.2	F113 T116 I117 L120 I129 K136 Y137 L251 F259	F113-L133 HydrophobicContact CD2-CD2 4.19Å; F113-L133 HydrophobicContact CE2-CD2 3.65Å; F113-L133 HydrophobicContact CZ-CD2 4.4Å; T116-L133 HydrophobicContact CG2-CD2 4.15Å; I117-L133 HydrophobicContact CG1-CD2 4.23Å; L120-L133 HydrophobicContact CD1-CD1 3.36Å; L120-L133 HydrophobicContact CD1-CD2 4.4Å; L120-L133 HydrophobicContact CD1-CG 3.65Å; I129-L133 HydrophobicContact CG2-CB 4.47Å; I129-L133 HydrophobicContact CG2-CD1 4.26Å; I129-L133 WeakPolarHBondContact O-CA 3.46Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 PolarHBondContact O-N 3.44Å; L133-K136 PolarHBondContact O-N 2.75Å; L133-Y137 HydrophobicContact CD2-CD2 4.23Å; L133-Y137 WeakPolarHBondContact O-CB 3.1Å; L133-Y137 PolarHBondContact O-N 3.24Å; L133-L251 HydrophobicContact CD1-CD2 4.4Å; L133-F259 HydrophobicContact CB-CE2 4.21Å; L133-F259 HydrophobicContact CD1-CD2 4.41Å
134	I	90.8	Very high	87.3	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	25%	0.251	C	S	.	.	I	π-helix	trans	-67.7	-45.4	-168.1	-63.8	166.3	0	0	0	111.6	I129 T130 K136 G138 T139 F259 A262 A263 Y266	I129-I134 HydrophobicContact CG2-CD1 4.21Å; I129-I134 HydrophobicContact CG2-CG1 4.47Å; I129-I134 PolarHBondContact O-N 3.27Å; I129-I134 VanDerWaalsContact O-N 3.16Å; T130-I134 HydrophobicContact CG2-CB 4.49Å; T130-I134 PolarHBondContact O-N 3.21Å; I134-K136 VanDerWaalsContact C-N 3.32Å; I134-K136 PolarHBondContact O-N 3.27Å; I134-G138 WeakPolarHBondContact O-CA 3.13Å; I134-G138 PolarHBondContact O-N 3.32Å; I134-T139 HydrophobicContact CG2-CG2 3.72Å; I134-F259 HydrophobicContact CD1-CE2 4.31Å; I134-F259 HydrophobicContact CG1-CD2 4.29Å; I134-F259 HydrophobicContact CG1-CE2 3.6Å; I134-F259 HydrophobicContact CG1-CZ 4Å; I134-A262 HydrophobicContact CD1-CB 3.74Å; I134-A263 HydrophobicContact CD1-CB 4.05Å; I134-Y266 HydrophobicContact CG2-CD1 3.55Å; I134-Y266 HydrophobicContact CG2-CD2 4.28Å; I134-Y266 HydrophobicContact CG2-CE1 3.89Å; I134-Y266 HydrophobicContact CG2-CG 3.77Å
135	R	88.5	Confident	86.6	Confident	130 Å²	130	50.3 Å²	50.3	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-68.6	-31.6	-179.1	-165.8	178.8	-69.9	141.4	0.4	112.7	T130 D131 E271	T130-R135 PolarHBondContact O-N 2.94Å; D131-R135 IonicContact OD1-CZ 3.98Å; D131-R135 VanDerWaalsContact OD1-CZ 3.31Å; D131-R135 IonicContact OD1-NH1 2.79Å; D131-R135 PolarHBondContact OD1-NH1 3.03Å; D131-R135 IonicContact OD1-NH2 2.87Å; D131-R135 PolarHBondContact OD1-NH2 2.94Å; R135-E271 IonicContact CZ-OE1 3.94Å; R135-E271 IonicContact CZ-OE2 3.81Å; R135-E271 IonicContact NE-OE1 2.79Å; R135-E271 IonicContact NH2-OE1 3.3Å; R135-E271 PolarHBondContact NH2-OE1 3.29Å; R135-E271 IonicContact NH2-OE2 3.7Å; R135-E271 PolarHBondContact NH2-OE2 2.69Å
136	K	90.2	Very high	85.8	Confident	104 Å²	104	47.8 Å²	47.8	45%	0.452	23%	0.231	S	C	.	.	H	α-helix	trans	-87.2	-42.6	-177	-171.7	173.9	178.7	-169.5	0	113.4	E112 L133 I134	E112-K136 IonicContact OE1-NZ 3.44Å; E112-K136 PolarHBondContact OE1-NZ 3.4Å; E112-K136 IonicContact OE2-NZ 2.81Å; E112-K136 PolarHBondContact OE2-NZ 3.26Å; L133-K136 PolarHBondContact O-N 2.75Å; I134-K136 VanDerWaalsContact C-N 3.32Å; I134-K136 PolarHBondContact O-N 3.27Å
137	Y	89.4	Confident	85	Confident	62 Å²	62	48 Å²	48	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-114.5	-5	-172	-59.1	-77.2	0	0	0	113.8	F113 T116 L133	F113-Y137 HydrophobicContact CB-CE1 4.19Å; F113-Y137 AromaticContact CD2-CD1 3.94Å; F113-Y137 HydrophobicContact CD2-CD1 3.94Å; F113-Y137 AromaticContact CD2-CD2 3.68Å; F113-Y137 HydrophobicContact CD2-CD2 3.68Å; F113-Y137 AromaticContact CD2-CE1 3.97Å; F113-Y137 HydrophobicContact CD2-CE1 3.97Å; F113-Y137 AromaticContact CD2-CE2 3.7Å; F113-Y137 HydrophobicContact CD2-CE2 3.7Å; F113-Y137 AromaticContact CD2-CG 3.8Å; F113-Y137 HydrophobicContact CD2-CG 3.8Å; F113-Y137 AromaticContact CD2-CZ 3.86Å; F113-Y137 HydrophobicContact CE2-CD2 4Å; F113-Y137 HydrophobicContact CE2-CE2 4.43Å; F113-Y137 HydrophobicContact CE2-CG 4.07Å; T116-Y137 HydrophobicContact CG2-CE2 4.48Å; L133-Y137 HydrophobicContact CD2-CD2 4.23Å; L133-Y137 WeakPolarHBondContact O-CB 3.1Å; L133-Y137 PolarHBondContact O-N 3.24Å
138	G	88.3	Confident	84.2	Confident	29 Å²	29	39.4 Å²	39.4	30%	0.299	20%	0.202	S	C	.	.			trans	80.8	-175.5	-177.8	0	0	0	0	0	114	I134	I134-G138 WeakPolarHBondContact O-CA 3.13Å; I134-G138 PolarHBondContact O-N 3.32Å
139	T	88.6	Confident	83.2	Confident	27 Å²	27	38.4 Å²	38.4	17%	0.166	20%	0.195	C	C	.	.	S	Bend	trans	-95.5	-23.3	179.3	53.4	0	0	0	0	113.2	I134 L247 A263 I267	I134-T139 HydrophobicContact CG2-CG2 3.72Å; T139-L247 WeakPolarHBondContact O-CB 3.2Å; T139-L247 PolarHBondContact O-N 3.48Å; T139-A263 HydrophobicContact CG2-CB 3.95Å; T139-I267 HydrophobicContact CG2-CD1 4.04Å
140	H	88	Confident	82.4	Confident	89 Å²	89	38.9 Å²	38.9	41%	0.412	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.6	-175.9	-63.3	74.1	0	0	0	110.1	L244 Q245 G246	H140-L244 HydrophobicContact CB-CB 3.99Å; H140-L244 HydrophobicContact CB-CD1 4.29Å; H140-L244 HydrophobicContact CB-CD2 4.46Å; H140-L244 HydrophobicContact CB-CG 4.49Å; H140-Q245 CarbonylContact C-O 3.53Å; H140-Q245 VanDerWaalsContact CA-O 3.29Å; H140-Q245 WeakPolarHBondContact CA-O 3.16Å; H140-Q245 WeakPolarHBondContact CB-O 3.49Å; H140-G246 VanDerWaalsContact CD2-CA 3.49Å; H140-G246 WeakPolarHBondContact CD2-CA 3.31Å; H140-G246 PolarHBondContact CD2-N 3.29Å
141	F	83.8	Confident	81.8	Confident	42 Å²	42	38.2 Å²	38.2	18%	0.184	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	159.6	166.4	68.8	-82.4	0	0	0	109.7	A96 L143 L244 Q245 L247 A249 I250	A96-F141 HydrophobicContact CB-CD2 4.34Å; A96-F141 HydrophobicContact CB-CE2 4.17Å; F141-L143 HydrophobicContact CE2-CD2 3.7Å; F141-L143 HydrophobicContact CE2-CG 4.22Å; F141-L143 HydrophobicContact CZ-CD2 4.28Å; F141-L244 WeakPolarHBondContact O-CA 3.43Å; F141-Q245 HydrophobicContact CD1-CB 4.48Å; F141-Q245 VanDerWaalsContact CD1-O 3.23Å; F141-Q245 WeakPolarHBondContact CD1-O 3.3Å; F141-Q245 HydrophobicContact CE1-CB 3.85Å; F141-Q245 HydrophobicContact CE1-CG 3.89Å; F141-Q245 HydrophobicContact CE2-CB 4.26Å; F141-Q245 HydrophobicContact CZ-CB 3.72Å; F141-Q245 HydrophobicContact CZ-CG 3.85Å; F141-Q245 PolarHBondContact N-O 3.47Å; F141-Q245 PolarHBondContact O-N 3.38Å; F141-L247 HydrophobicContact CB-CD1 4.35Å; F141-L247 HydrophobicContact CD1-CD1 4.1Å; F141-A249 HydrophobicContact CE1-CB 4.36Å; F141-I250 HydrophobicContact CE1-CG2 4.03Å; F141-I250 HydrophobicContact CZ-CG2 4.03Å
142	L	79.3	Confident	81.3	Confident	44 Å²	44	35.5 Å²	35.5	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.6	-173.5	-165.5	104.6	0	0	0	110.2	L95 A145 V235 I242 L244	L95-L142 HydrophobicContact CB-CD2 4.09Å; L95-L142 HydrophobicContact CD1-CD2 3.16Å; L95-L142 HydrophobicContact CD1-CG 4.49Å; L95-L142 HydrophobicContact CG-CD2 4.21Å; L142-A145 HydrophobicContact CD1-CB 4.03Å; L142-A145 HydrophobicContact CD2-CB 3.76Å; L142-A145 HydrophobicContact CG-CB 4.16Å; L142-V235 HydrophobicContact CD1-CG1 3.54Å; L142-V235 HydrophobicContact CD2-CG1 3.77Å; L142-V235 HydrophobicContact CG-CG1 4.31Å; L142-I242 HydrophobicContact CD1-CB 4.23Å; L142-I242 HydrophobicContact CD1-CG2 4.11Å; L142-L244 HydrophobicContact CB-CD2 4.47Å; L142-L244 HydrophobicContact CD1-CD2 3.99Å
143	L	77.6	Confident	81.1	Confident	39 Å²	39	32 Å²	32	20%	0.204	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-49.4	175.2	-82.1	-179.3	0	0	0	111.8	S94 L95 A96 F141 H243 Q245	S94-L143 CarbonylContact C-O 3.56Å; S94-L143 WeakPolarHBondContact CA-O 3.39Å; S94-L143 PolarHBondContact N-O 2.8Å; L95-L143 PolarHBondContact N-O 2.94Å; A96-L143 HydrophobicContact CB-CD2 4.45Å; F141-L143 HydrophobicContact CE2-CD2 3.7Å; F141-L143 HydrophobicContact CE2-CG 4.22Å; F141-L143 HydrophobicContact CZ-CD2 4.28Å; L143-H243 HydrophobicContact CB-CB 4.49Å; L143-H243 WeakPolarHBondContact CB-O 3.34Å; L143-H243 VanDerWaalsContact CD1-CD2 3.45Å; L143-H243 WeakPolarHBondContact CD1-CD2 3.32Å; L143-H243 PolarHBondContact N-O 2.94Å; L143-Q245 HydrophobicContact CD1-CB 3.53Å; L143-Q245 HydrophobicContact CD1-CG 4.34Å; L143-Q245 HydrophobicContact CD2-CB 4.34Å; L143-Q245 HydrophobicContact CG-CB 3.63Å
144	S	75.5	Confident	80.9	Confident	25 Å²	25	33.6 Å²	33.6	18%	0.175	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	144.7	176.7	65.3	0	0	0	0	108.9	V92 H243	V92-S144 WeakPolarHBondContact O-CA 3.42Å; V92-S144 WeakPolarHBondContact O-CB 3.38Å; S144-H243 PolarHBondContact N-O 2.95Å; S144-H243 PolarHBondContact O-N 3.45Å; S144-H243 WeakPolarHBondContact OG-CB 3.4Å
145	A	74.3	Confident	80.9	Confident	3 Å²	3	33.5 Å²	33.5	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	163.6	172	0	0	0	0	0	109.7	V92 L95 L142 V235 I242	V92-A145 PolarHBondContact N-O 3.23Å; V92-A145 VanDerWaalsContact N-O 3.1Å; V92-A145 PolarHBondContact O-N 2.77Å; L95-A145 HydrophobicContact CD1-CB 4.08Å; L142-A145 HydrophobicContact CD1-CB 4.03Å; L142-A145 HydrophobicContact CD2-CB 3.76Å; L142-A145 HydrophobicContact CG-CB 4.16Å; A145-V235 HydrophobicContact CB-CG1 3.94Å; A145-I242 HydrophobicContact CB-CG2 4.2Å
146	M	72.3	Confident	80.9	Confident	16 Å²	16	27.8 Å²	27.8	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	118.9	164.2	-64.6	179	-57.5	0	0	106.5	R89 W90 N240 K241	R89-M146 HydrophobicContact CG-SD 4.17Å; R89-M146 VanDerWaalsContact CZ-SD 3.57Å; R89-M146 PolarHBondContact NE-SD 3.4Å; R89-M146 PolarHBondContact NH2-SD 3.09Å; W90-M146 WeakPolarHBondContact O-CA 3.38Å; M146-N240 HydrophobicContact CE-CB 4.49Å; M146-N240 PolarHBondContact O-ND2 3.28Å; M146-K241 HydrophobicContact CE-CB 3.73Å; M146-K241 HydrophobicContact CE-CG 4.01Å
147	L	70.1	Confident	80.8	Confident	31 Å²	31	22.8 Å²	22.8	16%	0.162	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.5	174.5	-63	-170.3	0	0	0	107.8	W90 V92 L95 V233 V235	W90-L147 HydrophobicContact CB-CB 4.29Å; W90-L147 PolarHBondContact N-O 3Å; W90-L147 PolarHBondContact O-N 3.42Å; V92-L147 HydrophobicContact CB-CD1 4.37Å; V92-L147 HydrophobicContact CB-CG 4.44Å; V92-L147 HydrophobicContact CG2-CB 4.35Å; V92-L147 HydrophobicContact CG2-CD1 3.48Å; V92-L147 VanDerWaalsContact CG2-CD1 3.48Å; V92-L147 HydrophobicContact CG2-CG 3.74Å; L95-L147 HydrophobicContact CD1-CD2 4.19Å; L95-L147 HydrophobicContact CD1-CG 4.48Å; L95-L147 HydrophobicContact CD2-CD1 4.36Å; L147-V233 HydrophobicContact CB-CB 4.49Å; L147-V233 HydrophobicContact CB-CG1 3.52Å; L147-V235 HydrophobicContact CD2-CB 4.19Å; L147-V235 HydrophobicContact CD2-CG2 3.43Å; L147-V235 VanDerWaalsContact CD2-CG2 3.43Å
148	G	69.9	Low	80.7	Confident	9 Å²	9	20.3 Å²	20.3	9%	0.093	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-174	177.8	0	0	0	0	0	112.7	F87 G88 V233 L234	F87-G148 WeakPolarHBondContact O-CA 3.44Å; G88-G148 WeakPolarHBondContact O-CA 3.36Å; G148-V233 VanDerWaalsContact N-CG1 3.28Å; G148-L234 PolarHBondContact N-O 3.09Å; G148-L234 PolarHBondContact O-N 2.78Å
149	G	70	Confident	80.4	Confident	5 Å²	5	24.1 Å²	24.1	5%	0.052	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	151.5	165.7	0	0	0	0	0	110.8	E86 F87 T216	E86-G149 CarbonylContact C-O 3.34Å; E86-G149 WeakPolarHBondContact CA-O 3.44Å; F87-G149 PolarHBondContact N-O 3.02Å; F87-G149 PolarHBondContact O-N 2.89Å; G149-T216 CarbonylContact C-O 3.51Å; G149-T216 WeakPolarHBondContact CA-O 3.01Å
150	E	72.4	Confident	79.9	Confident	11 Å²	11	29 Å²	29	5%	0.051	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	170.6	-175.7	-174.6	152.6	0	0	108.8	K82 S152 T216 S237	K82-E150 WeakPolarHBondContact CE-OE1 2.91Å; K82-E150 IonicContact NZ-OE1 2.66Å; K82-E150 PolarHBondContact NZ-OE1 3.4Å; K82-E150 IonicContact NZ-OE2 3.03Å; E150-S152 WeakPolarHBondContact OE1-CB 3.13Å; E150-S152 PolarHBondContact OE1-OG 3.1Å; E150-T216 PolarHBondContact N-O 3.09Å; E150-T216 PolarHBondContact O-N 3.29Å; E150-T216 VanDerWaalsContact O-O 3.09Å; E150-T216 PolarHBondContact O-OG1 3.19Å; E150-S237 WeakPolarHBondContact OE2-CB 3.24Å; E150-S237 PolarHBondContact OE2-OG 3.24Å
151	E	77.6	Confident	79.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117	161	171.4	174.8	175.1	0	0	108.6	Y84 R85 F87 Y188 F189 T214 R215	Y84-E151 CarbonylContact C-O 3.26Å; Y84-E151 WeakPolarHBondContact CA-O 3.41Å; R85-E151 HydrophobicContact CG-CB 3.9Å; R85-E151 HydrophobicContact CG-CG 4.43Å; R85-E151 IonicContact CZ-OE1 3.63Å; R85-E151 IonicContact CZ-OE2 3.14Å; R85-E151 PolarHBondContact N-O 3.3Å; R85-E151 VanDerWaalsContact NE-CD 3.28Å; R85-E151 IonicContact NE-OE1 3.73Å; R85-E151 IonicContact NE-OE2 2.84Å; R85-E151 PolarHBondContact NE-OE2 2.89Å; R85-E151 IonicContact NH2-OE1 2.95Å; R85-E151 PolarHBondContact NH2-OE1 2.82Å; R85-E151 IonicContact NH2-OE2 2.66Å; R85-E151 PolarHBondContact NH2-OE2 2.84Å; R85-E151 PolarHBondContact O-N 3.14Å; F87-E151 HydrophobicContact CD2-CB 4.45Å; F87-E151 HydrophobicContact CE2-CB 3.57Å; F87-E151 VanDerWaalsContact CE2-OE2 3.27Å; F87-E151 WeakPolarHBondContact CE2-OE2 3.2Å; F87-E151 HydrophobicContact CZ-CB 4.27Å; F87-E151 WeakPolarHBondContact CZ-OE2 3.41Å; E151-Y188 HydrophobicContact CG-CE1 4.03Å; E151-Y188 WeakPolarHBondContact CG-OH 3.12Å; E151-Y188 PolarHBondContact OE1-OH 2.86Å; E151-F189 HydrophobicContact CG-CE1 4.42Å; E151-T214 WeakPolarHBondContact CA-O 3.31Å; E151-R215 HydrophobicContact CB-CG 4.13Å; E151-R215 HydrophobicContact CG-CG 4.03Å; E151-R215 IonicContact OE2-NE 3.98Å
152	S	80.1	Confident	78.8	Confident	1 Å²	1	28 Å²	28	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.8	-177.4	53.4	0	0	0	0	112.4	I83 Y84 E150 T214	I83-S152 CarbonylContact O-C 3.43Å; I83-S152 WeakPolarHBondContact O-CA 3.13Å; I83-S152 WeakPolarHBondContact O-CB 3.44Å; Y84-S152 VanDerWaalsContact CB-CB 3.42Å; E150-S152 WeakPolarHBondContact OE1-CB 3.13Å; E150-S152 PolarHBondContact OE1-OG 3.1Å; S152-T214 PolarHBondContact N-O 2.94Å; S152-T214 PolarHBondContact O-N 3.48Å; S152-T214 PolarHBondContact O-OG1 2.92Å; S152-T214 PolarHBondContact OG-OG1 2.8Å
153	L	86.5	Confident	78.1	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.4	174	176.6	73.5	0	0	0	107.2	I83 I155 Y188 L196 L199 V211	I83-L153 HydrophobicContact CD1-CB 4.09Å; I83-L153 HydrophobicContact CD1-CD2 3.91Å; I83-L153 HydrophobicContact CG1-CB 3.71Å; I83-L153 HydrophobicContact CG1-CD2 4.32Å; I83-L153 HydrophobicContact CG1-CG 4.45Å; I83-L153 PolarHBondContact N-O 2.9Å; I83-L153 PolarHBondContact O-N 2.84Å; L153-I155 HydrophobicContact CD2-CD1 4.06Å; L153-I155 HydrophobicContact CD2-CG1 4.33Å; L153-I155 HydrophobicContact CG-CD1 4.44Å; L153-I155 HydrophobicContact CG-CG1 4.16Å; L153-Y188 HydrophobicContact CB-CD1 3.9Å; L153-Y188 HydrophobicContact CB-CD2 4.37Å; L153-Y188 HydrophobicContact CB-CE1 3.87Å; L153-Y188 HydrophobicContact CB-CE2 4.34Å; L153-Y188 HydrophobicContact CB-CG 4.17Å; L153-Y188 HydrophobicContact CD1-CD2 4.46Å; L153-Y188 HydrophobicContact CD1-CE2 4.34Å; L153-Y188 HydrophobicContact CD2-CD1 4.32Å; L153-Y188 HydrophobicContact CD2-CD2 3.86Å; L153-Y188 HydrophobicContact CD2-CE2 4.49Å; L153-Y188 HydrophobicContact CD2-CG 3.77Å; L153-Y188 HydrophobicContact CG-CD2 4.46Å; L153-L196 HydrophobicContact CD1-CD2 3.85Å; L153-L199 HydrophobicContact CD1-CD1 4.14Å; L153-L199 HydrophobicContact CD2-CD1 3.57Å; L153-L199 HydrophobicContact CG-CD1 4.4Å; L153-V211 HydrophobicContact CD1-CG1 3.46Å; L153-V211 VanDerWaalsContact CD1-CG1 3.46Å
154	M	86.9	Confident	77.2	Confident	34 Å²	34	36.7 Å²	36.7	17%	0.167	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.6	172.8	-66.2	-160.7	-63.8	0	0	110.5	K80 Y81 K82 V211 T212	K80-M154 WeakPolarHBondContact CE-SD 3.33Å; Y81-M154 CarbonylContact O-C 3.51Å; Y81-M154 VanDerWaalsContact O-CA 3.29Å; Y81-M154 WeakPolarHBondContact O-CA 3.26Å; K82-M154 HydrophobicContact CB-CG 3.98Å; K82-M154 HydrophobicContact CB-SD 4.47Å; K82-M154 HydrophobicContact CD-CG 4.17Å; K82-M154 HydrophobicContact CD-SD 4.06Å; K82-M154 HydrophobicContact CG-CG 3.77Å; K82-M154 HydrophobicContact CG-SD 4.29Å; M154-V211 WeakPolarHBondContact O-CA 3.5Å; M154-T212 WeakPolarHBondContact CB-OG1 3.35Å; M154-T212 PolarHBondContact N-O 2.92Å; M154-T212 PolarHBondContact O-N 3.37Å
155	I	89.2	Confident	76.2	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.4	178.8	-48.7	172.9	0	0	0	108.5	Y81 L153 V157 L181 A185 L199 I209 K210 V211	Y81-I155 PolarHBondContact N-O 3.13Å; Y81-I155 PolarHBondContact O-N 2.81Å; L153-I155 HydrophobicContact CD2-CD1 4.06Å; L153-I155 HydrophobicContact CD2-CG1 4.33Å; L153-I155 HydrophobicContact CG-CD1 4.44Å; L153-I155 HydrophobicContact CG-CG1 4.16Å; I155-V157 HydrophobicContact CG2-CG2 3.99Å; I155-L181 HydrophobicContact CD1-CD2 4.49Å; I155-L181 HydrophobicContact CG2-CD2 4.09Å; I155-A185 HydrophobicContact CD1-CB 3.92Å; I155-L199 HydrophobicContact CD1-CD1 4.17Å; I155-L199 HydrophobicContact CD1-CD2 4.02Å; I155-I209 HydrophobicContact CG2-CB 4.09Å; I155-I209 HydrophobicContact CG2-CG2 4.44Å; I155-K210 WeakPolarHBondContact CA-O 3.29Å; I155-V211 HydrophobicContact CG1-CG2 4.44Å; I155-V211 HydrophobicContact CG2-CG2 4.23Å
156	F	88.8	Confident	75.1	Confident	9 Å²	9	42.3 Å²	42.3	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.5	170.2	-62	-92.5	0	0	0	109.2	F69 R72 F77 T79 K80 I209 K210	F69-F156 HydrophobicContact CD2-CE1 4.03Å; R72-F156 HydrophobicContact CB-CD1 4.01Å; R72-F156 HydrophobicContact CB-CE1 4.14Å; R72-F156 HydrophobicContact CB-CG 4.47Å; R72-F156 HydrophobicContact CG-CD1 4.28Å; R72-F156 HydrophobicContact CG-CE1 4.16Å; R72-F156 HydrophobicContact CG-CE2 4.44Å; R72-F156 HydrophobicContact CG-CG 4.45Å; R72-F156 HydrophobicContact CG-CZ 4.25Å; F77-F156 HydrophobicContact CB-CB 3.87Å; F77-F156 HydrophobicContact CD1-CB 3.97Å; F77-F156 WeakPolarHBondContact CD1-O 3.33Å; F77-F156 HydrophobicContact CG-CB 3.89Å; T79-F156 CarbonylContact O-C 3.56Å; T79-F156 WeakPolarHBondContact O-CA 3.48Å; K80-F156 HydrophobicContact CB-CD1 4.15Å; K80-F156 HydrophobicContact CB-CE1 4.17Å; K80-F156 HydrophobicContact CD-CE1 3.94Å; K80-F156 HydrophobicContact CD-CZ 4.26Å; K80-F156 HydrophobicContact CG-CD1 4.27Å; K80-F156 HydrophobicContact CG-CE1 3.95Å; K80-F156 HydrophobicContact CG-CZ 4.38Å; F156-I209 CarbonylContact O-C 3.52Å; F156-I209 WeakPolarHBondContact O-CA 3.48Å; F156-K210 HydrophobicContact CB-CB 4.2Å; F156-K210 PolarHBondContact N-O 2.96Å; F156-K210 PolarHBondContact O-N 3.27Å
157	V	88.6	Confident	74	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.9	-172.8	-177.3	0	0	0	0	110.9	T78 T79 Y81 I155 L162 L178 L181 I209	T78-V157 PolarHBondContact N-O 3.08Å; T79-V157 PolarHBondContact N-O 3.03Å; T79-V157 PolarHBondContact O-N 3.4Å; Y81-V157 HydrophobicContact CD2-CG2 3.74Å; Y81-V157 HydrophobicContact CE2-CB 4.38Å; Y81-V157 HydrophobicContact CE2-CG2 3.77Å; I155-V157 HydrophobicContact CG2-CG2 3.99Å; V157-L162 HydrophobicContact CG1-CD1 4.28Å; V157-L178 HydrophobicContact CG1-CD1 4.39Å; V157-L181 HydrophobicContact CG2-CD2 3.79Å; V157-I209 HydrophobicContact CG1-CG2 4.44Å; V157-I209 HydrophobicContact CG2-CG2 4.1Å
158	D	87.5	Confident	73.1	Confident	10 Å²	10	52.6 Å²	52.6	5%	0.053	27%	0.269	C	S	.	.			trans	-91.4	100.3	166.3	-177.9	-9.9	0	0	0	109.1	F77 R160 K161 L162 A208	F77-D158 HydrophobicContact CD1-CB 4.14Å; F77-D158 HydrophobicContact CE1-CB 4.45Å; D158-R160 PolarHBondContact O-N 2.87Å; D158-R160 WeakPolarHBondContact OD1-CB 3.26Å; D158-R160 PolarHBondContact OD1-N 2.81Å; D158-K161 HydrophobicContact CB-CB 4.43Å; D158-K161 HydrophobicContact CB-CD 4.46Å; D158-K161 PolarHBondContact O-N 3.03Å; D158-K161 VanDerWaalsContact OD2-CD 3.25Å; D158-K161 WeakPolarHBondContact OD2-CD 3.38Å; D158-K161 WeakPolarHBondContact OD2-CE 3.43Å; D158-K161 VanDerWaalsContact OD2-CG 3.31Å; D158-K161 WeakPolarHBondContact OD2-CG 3.05Å; D158-L162 PolarHBondContact O-N 2.02Å; D158-A208 PolarHBondContact N-O 3.29Å
159	K	80.9	Confident	72	Confident	108 Å²	108	54.6 Å²	54.6	47%	0.47	28%	0.281	S	S	.	.	H	α-helix	trans	-56.6	-30.6	-179.8	-75.3	178.1	164.9	165.2	0	113.4	T79 S163	T79-K159 WeakPolarHBondContact OG1-CE 3.32Å; T79-K159 PolarHBondContact OG1-NZ 2.86Å; K159-S163 WeakPolarHBondContact O-CB 3.35Å; K159-S163 PolarHBondContact O-N 3.42Å; K159-S163 VanDerWaalsContact O-N 3.1Å; K159-S163 PolarHBondContact O-OG 3.45Å
160	R	79	Confident	70.9	Confident	131 Å²	131	64 Å²	64	49%	0.494	32%	0.324	S	S	.	.	H	α-helix	trans	-74.7	-41	-173.6	-48.7	174.8	-173.9	-175.8	1.8	111.2	D158 S163 R164	D158-R160 PolarHBondContact O-N 2.87Å; D158-R160 WeakPolarHBondContact OD1-CB 3.26Å; D158-R160 PolarHBondContact OD1-N 2.81Å; R160-S163 PolarHBondContact O-OG 3.08Å; R160-S163 VanDerWaalsContact O-OG 3.08Å; R160-R164 PolarHBondContact O-N 3.22Å
161	K	76.8	Confident	69.6	Low	92 Å²	92	68 Å²	68	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-73.1	-36.9	177.7	-71	-179.5	-175.6	179.5	0	111.5	D158 R164 T165 A208	D158-K161 HydrophobicContact CB-CB 4.43Å; D158-K161 HydrophobicContact CB-CD 4.46Å; D158-K161 PolarHBondContact O-N 3.03Å; D158-K161 VanDerWaalsContact OD2-CD 3.25Å; D158-K161 WeakPolarHBondContact OD2-CD 3.38Å; D158-K161 WeakPolarHBondContact OD2-CE 3.43Å; D158-K161 VanDerWaalsContact OD2-CG 3.31Å; D158-K161 WeakPolarHBondContact OD2-CG 3.05Å; K161-R164 PolarHBondContact O-N 3.3Å; K161-T165 PolarHBondContact O-N 3.04Å; K161-T165 PolarHBondContact O-OG1 3.13Å; K161-A208 HydrophobicContact CB-CB 3.83Å
162	L	72.6	Confident	68.1	Low	18 Å²	18	77 Å²	77	9%	0.094	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-40.6	176.6	-143.3	97.7	0	0	0	112	V157 D158 T165 L178 A208 I209	V157-L162 HydrophobicContact CG1-CD1 4.28Å; D158-L162 PolarHBondContact O-N 2.02Å; L162-T165 PolarHBondContact O-N 2.75Å; L162-T165 PolarHBondContact O-OG1 3.08Å; L162-L178 HydrophobicContact CD2-CB 4.21Å; L162-L178 HydrophobicContact CD2-CD1 4.22Å; L162-A208 HydrophobicContact CD1-CB 3.8Å; L162-I209 HydrophobicContact CD1-CG2 4.16Å
163	S	62.6	Low	66.6	Low	65 Å²	65	79.3 Å²	79.3	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-74.2	-27.6	178.4	65.4	0	0	0	0	113.9	K159 R160 S166	K159-S163 WeakPolarHBondContact O-CB 3.35Å; K159-S163 PolarHBondContact O-N 3.42Å; K159-S163 VanDerWaalsContact O-N 3.1Å; K159-S163 PolarHBondContact O-OG 3.45Å; R160-S163 PolarHBondContact O-OG 3.08Å; R160-S163 VanDerWaalsContact O-OG 3.08Å; S163-S166 PolarHBondContact O-OG 3.42Å
164	R	60.3	Low	65	Low	200 Å²	200	85.6 Å²	85.6	76%	0.755	46%	0.464	S	S	*	.	H	α-helix	trans	-71.9	-29.2	174.1	-88.8	-177.8	163.3	-177.4	-3.2	113	R160 K161 S166	R160-R164 PolarHBondContact O-N 3.22Å; K161-R164 PolarHBondContact O-N 3.3Å; R164-S166 VanDerWaalsContact C-N 3.32Å
165	T	54.1	Low	63.5	Low	69 Å²	69	86.3 Å²	86.3	42%	0.423	48%	0.475	S	S	.	.	H	α-helix	trans	-75.5	-22	179.3	-2.8	0	0	0	0	112.6	K161 L162 E167 S169	K161-T165 PolarHBondContact O-N 3.04Å; K161-T165 PolarHBondContact O-OG1 3.13Å; L162-T165 PolarHBondContact O-N 2.75Å; L162-T165 PolarHBondContact O-OG1 3.08Å; T165-E167 VanDerWaalsContact C-N 3.33Å; T165-S169 PolarHBondContact O-OG 3.21Å
166	S	51.8	Low	62.4	Low	76 Å²	76	88.2 Å²	88.2	53%	0.531	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.7	175.9	48.3	0	0	0	0	114.3	S163 R164	S163-S166 PolarHBondContact O-OG 3.42Å; R164-S166 VanDerWaalsContact C-N 3.32Å
167	E	48.5	Very low	61.8	Low	176 Å²	176	90.7 Å²	90.7	82%	0.822	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-13	-179.3	-68.4	-179.2	171.2	0	0	113.5	T165	T165-E167 VanDerWaalsContact C-N 3.33Å
168	A	50.9	Low	61.2	Low	87 Å²	87	93.4 Å²	93.4	72%	0.719	52%	0.517	S	S	*	.	S	Bend	trans	-115.1	1.1	-167.6	0	0	0	0	0	116.1
169	S	46.2	Very low	60.9	Low	51 Å²	51	99.4 Å²	99.4	36%	0.357	55%	0.545	S	S	.	.			trans	-114	83	-175	65.4	0	0	0	0	114.1	T165 S171	T165-S169 PolarHBondContact O-OG 3.21Å; S169-S171 VanDerWaalsContact C-N 3.33Å; S169-S171 PolarHBondContact O-N 3.25Å
170	E	47	Very low	60.9	Low	204 Å²	204	96 Å²	96	95%	0.953	54%	0.537	S	S	*	.			trans	-85.9	72.4	150.9	-77.7	-169.6	161.8	0	0	109.5
171	S	45	Very low	61.2	Low	93 Å²	93	89.9 Å²	89.9	65%	0.65	51%	0.514	S	S	*	.	S	Bend	trans	-168.9	121.7	161.4	60	0	0	0	0	109.4	S169 G173	S169-S171 VanDerWaalsContact C-N 3.33Å; S169-S171 PolarHBondContact O-N 3.25Å; S171-G173 PolarHBondContact O-N 3.16Å
172	N	47.7	Very low	61.5	Low	189 Å²	189	89.2 Å²	89.2	100%	1.011	51%	0.512	S	S	*	.	S	Bend	trans	-11.9	44.5	169.7	-69.4	-13.9	0	0	0	120.9
173	G	46.9	Very low	62	Low	51 Å²	51	95.4 Å²	95.4	53%	0.526	54%	0.541	S	S	.	.	S	Bend	trans	-122.9	124.2	164.3	0	0	0	0	0	106.2	S171 A175	S171-G173 PolarHBondContact O-N 3.16Å; G173-A175 PolarHBondContact O-N 2.62Å
174	T	53.3	Low	63.2	Low	133 Å²	133	93.8 Å²	93.8	82%	0.816	53%	0.527	S	S	*	.			trans	-53.1	105.9	-179.9	49.2	0	0	0	0	109.8	V176	T174-V176 PolarHBondContact O-N 3.19Å; T174-V176 VanDerWaalsContact O-N 3.1Å
175	A	56.5	Low	64.3	Low	49 Å²	49	84.6 Å²	84.6	41%	0.405	49%	0.494	S	S	.	.			trans	-55	117.7	172	0	0	0	0	0	107.9	G173 T177	G173-A175 PolarHBondContact O-N 2.62Å; A175-T177 PolarHBondContact O-N 3.35Å; A175-T177 VanDerWaalsContact O-N 3.08Å
176	V	66.1	Low	65.8	Low	41 Å²	41	84.5 Å²	84.5	25%	0.248	50%	0.5	C	S	.	.			trans	-80.4	97.4	-174	-179	0	0	0	0	108.2	T174 L181 I202	T174-V176 PolarHBondContact O-N 3.19Å; T174-V176 VanDerWaalsContact O-N 3.1Å; V176-L181 HydrophobicContact CG1-CD1 4.36Å; V176-I202 HydrophobicContact CG1-CD1 4.13Å; V176-I202 HydrophobicContact CG1-CG2 4.21Å; V176-I202 HydrophobicContact CG2-CD1 3.94Å; V176-I202 HydrophobicContact CG2-CG1 3.97Å; V176-I202 HydrophobicContact CG2-CG2 4.21Å
177	T	74.8	Confident	67.5	Low	62 Å²	62	82.8 Å²	82.8	38%	0.38	49%	0.488	S	S	.	.			trans	-75.5	162.5	171.7	66.2	0	0	0	0	111	A175 E179 A180 L181	A175-T177 PolarHBondContact O-N 3.35Å; A175-T177 VanDerWaalsContact O-N 3.08Å; T177-E179 PolarHBondContact O-N 3.18Å; T177-A180 PolarHBondContact O-N 2.99Å; T177-A180 WeakPolarHBondContact OG1-CB 3.47Å; T177-A180 PolarHBondContact OG1-N 2.74Å; T177-L181 PolarHBondContact O-N 3.49Å; T177-L181 VanDerWaalsContact O-N 3.07Å
178	L	77.6	Confident	69.3	Low	57 Å²	57	74.4 Å²	74.4	30%	0.298	45%	0.449	S	S	.	.	H	α-helix	trans	-60.2	-36.4	176.3	-169	68.3	0	0	0	111.7	Y81 V157 L162 L181 H182	Y81-L178 HydrophobicContact CE2-CD1 4.02Å; V157-L178 HydrophobicContact CG1-CD1 4.39Å; L162-L178 HydrophobicContact CD2-CB 4.21Å; L162-L178 HydrophobicContact CD2-CD1 4.22Å; L178-L181 PolarHBondContact O-N 3.03Å; L178-H182 PolarHBondContact O-N 2.76Å; L178-H182 VanDerWaalsContact O-N 3.09Å
179	E	79.8	Confident	70.8	Confident	135 Å²	135	73.3 Å²	73.3	63%	0.631	43%	0.428	S	S	*	.	H	α-helix	trans	-69.2	-38.7	176.3	-63.6	118.6	-177.6	0	0	112.3	T177 L181 H182 Q183	T177-E179 PolarHBondContact O-N 3.18Å; E179-L181 VanDerWaalsContact C-N 3.29Å; E179-L181 PolarHBondContact O-N 3.08Å; E179-H182 WeakPolarHBondContact O-CB 3.45Å; E179-H182 PolarHBondContact O-N 3.38Å; E179-H182 VanDerWaalsContact O-N 3.15Å; E179-Q183 WeakPolarHBondContact O-CG 3.31Å; E179-Q183 PolarHBondContact O-N 2.84Å
180	A	81.3	Confident	72.7	Confident	38 Å²	38	78.3 Å²	78.3	31%	0.314	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-38.4	175.5	0	0	0	0	0	111.3	T177 H182 Q183 L184	T177-A180 PolarHBondContact O-N 2.99Å; T177-A180 WeakPolarHBondContact OG1-CB 3.47Å; T177-A180 PolarHBondContact OG1-N 2.74Å; A180-H182 VanDerWaalsContact C-N 3.35Å; A180-Q183 PolarHBondContact O-N 3.42Å; A180-L184 VanDerWaalsContact O-CB 3.22Å; A180-L184 WeakPolarHBondContact O-CB 3.4Å; A180-L184 PolarHBondContact O-N 3.3Å
181	L	84.9	Confident	74.5	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	42%	0.423	C	S	.	.	H	α-helix	trans	-64.2	-38.4	173.3	-166.5	104.8	0	0	0	111.9	Y81 I155 V157 V176 T177 L178 E179 A185 L199 I209	Y81-L181 HydrophobicContact CD2-CD2 4.37Å; I155-L181 HydrophobicContact CD1-CD2 4.49Å; I155-L181 HydrophobicContact CG2-CD2 4.09Å; V157-L181 HydrophobicContact CG2-CD2 3.79Å; V176-L181 HydrophobicContact CG1-CD1 4.36Å; T177-L181 PolarHBondContact O-N 3.49Å; T177-L181 VanDerWaalsContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 3.03Å; E179-L181 VanDerWaalsContact C-N 3.29Å; E179-L181 PolarHBondContact O-N 3.08Å; L181-A185 VanDerWaalsContact O-CB 3.28Å; L181-A185 WeakPolarHBondContact O-CB 3.47Å; L181-A185 PolarHBondContact O-N 3.02Å; L181-L199 HydrophobicContact CD1-CD2 4.36Å; L181-I209 HydrophobicContact CD1-CD1 3.75Å; L181-I209 HydrophobicContact CD1-CG2 3.8Å
182	H	83	Confident	76.3	Confident	78 Å²	78	71.4 Å²	71.4	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-66.3	-44.1	174.9	-72.4	168.2	0	0	0	112.8	Y81 L178 E179 A180 L184 A185 A186	Y81-H182 AromaticContact CD1-NE2 3.65Å; Y81-H182 AromaticContact CE1-CE1 3.88Å; Y81-H182 AromaticContact CE1-NE2 3.08Å; Y81-H182 WeakPolarHBondContact CE1-NE2 3.5Å; Y81-H182 AromaticContact CE2-NE2 3.68Å; Y81-H182 AromaticContact CZ-CE1 3.91Å; Y81-H182 AromaticContact CZ-NE2 3.09Å; Y81-H182 PolarHBondContact OH-NE2 2.64Å; L178-H182 PolarHBondContact O-N 2.76Å; L178-H182 VanDerWaalsContact O-N 3.09Å; E179-H182 WeakPolarHBondContact O-CB 3.45Å; E179-H182 PolarHBondContact O-N 3.38Å; E179-H182 VanDerWaalsContact O-N 3.15Å; A180-H182 VanDerWaalsContact C-N 3.35Å; H182-L184 VanDerWaalsContact C-N 3.32Å; H182-L184 PolarHBondContact O-N 3.27Å; H182-A185 PolarHBondContact O-N 3.4Å; H182-A186 WeakPolarHBondContact O-CB 3.44Å; H182-A186 PolarHBondContact O-N 2.94Å
183	Q	84.4	Confident	78.1	Confident	148 Å²	148	69 Å²	69	69%	0.692	39%	0.388	S	S	*	.	H	α-helix	trans	-62.9	-41.6	176.3	-72.1	-179.7	-7.8	0	0	111.4	E179 A180 A186 S187	E179-Q183 WeakPolarHBondContact O-CG 3.31Å; E179-Q183 PolarHBondContact O-N 2.84Å; A180-Q183 PolarHBondContact O-N 3.42Å; Q183-A186 WeakPolarHBondContact O-CB 3.48Å; Q183-A186 PolarHBondContact O-N 3.07Å; Q183-S187 PolarHBondContact O-N 3.41Å; Q183-S187 VanDerWaalsContact O-N 3.11Å
184	L	86.1	Confident	79.9	Confident	31 Å²	31	68.4 Å²	68.4	16%	0.162	38%	0.376	C	S	.	.	H	α-helix	trans	-69.1	-37.5	177.1	-165.8	118.9	0	0	0	111.8	A180 H182 A186 S187 T195 K198 L199	A180-L184 VanDerWaalsContact O-CB 3.22Å; A180-L184 WeakPolarHBondContact O-CB 3.4Å; A180-L184 PolarHBondContact O-N 3.3Å; H182-L184 VanDerWaalsContact C-N 3.32Å; H182-L184 PolarHBondContact O-N 3.27Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-S187 PolarHBondContact O-N 3.34Å; L184-S187 PolarHBondContact O-OG 3.23Å; L184-T195 HydrophobicContact CD2-CG2 4.17Å; L184-T195 HydrophobicContact CG-CG2 4.22Å; L184-T195 WeakPolarHBondContact O-CG2 3.47Å; L184-K198 HydrophobicContact CD1-CB 3.88Å; L184-K198 HydrophobicContact CD1-CD 3.74Å; L184-K198 HydrophobicContact CD1-CG 4.44Å; L184-K198 HydrophobicContact CD2-CB 4.28Å; L184-L199 HydrophobicContact CD2-CB 4.43Å; L184-L199 HydrophobicContact CD2-CD1 4.25Å; L184-L199 HydrophobicContact CD2-CD2 3.3Å; L184-L199 HydrophobicContact CD2-CG 3.34Å
185	A	85.3	Confident	81.6	Confident	7 Å²	7	62.1 Å²	62.1	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-43.6	170.4	0	0	0	0	0	110.7	I83 I155 L181 H182 S187 Y188	I83-A185 HydrophobicContact CD1-CB 4.17Å; I83-A185 WeakPolarHBondContact CD1-O 3.47Å; I155-A185 HydrophobicContact CD1-CB 3.92Å; L181-A185 VanDerWaalsContact O-CB 3.28Å; L181-A185 WeakPolarHBondContact O-CB 3.47Å; L181-A185 PolarHBondContact O-N 3.02Å; H182-A185 PolarHBondContact O-N 3.4Å; A185-S187 VanDerWaalsContact C-N 3.25Å; A185-S187 PolarHBondContact O-N 3.03Å; A185-Y188 WeakPolarHBondContact O-CB 3.39Å; A185-Y188 PolarHBondContact O-N 3.48Å; A185-Y188 VanDerWaalsContact O-N 3.07Å
186	A	84.9	Confident	83	Confident	67 Å²	67	60.4 Å²	60.4	55%	0.554	32%	0.322	S	S	*	.	H	α-helix	trans	-61.7	-29.9	178.4	0	0	0	0	0	113.4	H182 Q183 L184 Y188	H182-A186 WeakPolarHBondContact O-CB 3.44Å; H182-A186 PolarHBondContact O-N 2.94Å; Q183-A186 WeakPolarHBondContact O-CB 3.48Å; Q183-A186 PolarHBondContact O-N 3.07Å; L184-A186 VanDerWaalsContact C-N 3.33Å; A186-Y188 VanDerWaalsContact C-N 3.26Å; A186-Y188 PolarHBondContact O-N 3.1Å
187	S	87.2	Confident	84.1	Confident	40 Å²	40	65.4 Å²	65.4	28%	0.28	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-75.5	-10.3	176.6	66.3	0	0	0	0	114.4	Q183 L184 A185 F189 I190 D191 T195	Q183-S187 PolarHBondContact O-N 3.41Å; Q183-S187 VanDerWaalsContact O-N 3.11Å; L184-S187 PolarHBondContact O-N 3.34Å; L184-S187 PolarHBondContact O-OG 3.23Å; A185-S187 VanDerWaalsContact C-N 3.25Å; A185-S187 PolarHBondContact O-N 3.03Å; S187-F189 VanDerWaalsContact C-N 3.31Å; S187-F189 PolarHBondContact O-N 2.02Å; S187-I190 PolarHBondContact O-N 2.81Å; S187-D191 PolarHBondContact O-N 3.3Å; S187-T195 PolarHBondContact OG-OG1 3.46Å
188	Y	86.9	Confident	84.7	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-54.9	-41.7	-175.9	172.2	-106.5	0	0	0	113.5	I83 E151 L153 A185 A186 I190 R192 T195 L196 E213	I83-Y188 HydrophobicContact CD1-CD1 4.03Å; I83-Y188 HydrophobicContact CD1-CG 4.26Å; E151-Y188 HydrophobicContact CG-CE1 4.03Å; E151-Y188 WeakPolarHBondContact CG-OH 3.12Å; E151-Y188 PolarHBondContact OE1-OH 2.86Å; L153-Y188 HydrophobicContact CB-CD1 3.9Å; L153-Y188 HydrophobicContact CB-CD2 4.37Å; L153-Y188 HydrophobicContact CB-CE1 3.87Å; L153-Y188 HydrophobicContact CB-CE2 4.34Å; L153-Y188 HydrophobicContact CB-CG 4.17Å; L153-Y188 HydrophobicContact CD1-CD2 4.46Å; L153-Y188 HydrophobicContact CD1-CE2 4.34Å; L153-Y188 HydrophobicContact CD2-CD1 4.32Å; L153-Y188 HydrophobicContact CD2-CD2 3.86Å; L153-Y188 HydrophobicContact CD2-CE2 4.49Å; L153-Y188 HydrophobicContact CD2-CG 3.77Å; L153-Y188 HydrophobicContact CG-CD2 4.46Å; A185-Y188 WeakPolarHBondContact O-CB 3.39Å; A185-Y188 PolarHBondContact O-N 3.48Å; A185-Y188 VanDerWaalsContact O-N 3.07Å; A186-Y188 VanDerWaalsContact C-N 3.26Å; A186-Y188 PolarHBondContact O-N 3.1Å; Y188-I190 VanDerWaalsContact C-N 3.29Å; Y188-I190 PolarHBondContact O-N 3.36Å; Y188-R192 HydrophobicContact CD2-CG 4.18Å; Y188-R192 HydrophobicContact CE2-CG 3.6Å; Y188-R192 VanDerWaalsContact O-CA 3.24Å; Y188-R192 WeakPolarHBondContact O-CA 3.34Å; Y188-R192 PolarHBondContact O-N 3.09Å; Y188-T195 HydrophobicContact CD2-CG2 4.41Å; Y188-L196 HydrophobicContact CD2-CD2 4.47Å; Y188-L196 HydrophobicContact CD2-CG 4.25Å; Y188-L196 HydrophobicContact CE2-CD1 4.07Å; Y188-L196 HydrophobicContact CE2-CD2 4.06Å; Y188-L196 HydrophobicContact CE2-CG 3.88Å; Y188-E213 WeakPolarHBondContact OH-CG 3.13Å; Y188-E213 PolarHBondContact OH-OE1 2.74Å
189	F	82.4	Confident	85.2	Confident	65 Å²	65	65 Å²	65	29%	0.285	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-76.9	-15.1	-179.6	-62.8	-53.8	0	0	0	114.2	I83 R85 E151 S187	I83-F189 HydrophobicContact CB-CE2 4.21Å; I83-F189 HydrophobicContact CB-CZ 4.46Å; I83-F189 HydrophobicContact CD1-CE2 4.14Å; I83-F189 HydrophobicContact CD1-CZ 4.42Å; I83-F189 HydrophobicContact CG1-CE2 4.23Å; I83-F189 HydrophobicContact CG1-CZ 4.22Å; R85-F189 HydrophobicContact CB-CD1 4.05Å; R85-F189 HydrophobicContact CB-CE1 3.65Å; R85-F189 HydrophobicContact CB-CE2 4.41Å; R85-F189 HydrophobicContact CB-CZ 3.87Å; R85-F189 HydrophobicContact CG-CD1 3.71Å; R85-F189 HydrophobicContact CG-CE1 3.38Å; R85-F189 HydrophobicContact CG-CZ 4.11Å; R85-F189 PolarHBondContact NH1-O 2.88Å; E151-F189 HydrophobicContact CG-CE1 4.42Å; S187-F189 VanDerWaalsContact C-N 3.31Å; S187-F189 PolarHBondContact O-N 2.02Å
190	I	84.7	Confident	85.5	Confident	155 Å²	155	62.4 Å²	62.4	80%	0.795	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-48.4	179.5	-61.7	170.1	0	0	0	110	S187 Y188	S187-I190 PolarHBondContact O-N 2.81Å; Y188-I190 VanDerWaalsContact C-N 3.29Å; Y188-I190 PolarHBondContact O-N 3.36Å
191	D	85.5	Confident	85.8	Confident	78 Å²	78	66.7 Å²	66.7	42%	0.417	33%	0.333	S	S	.	.	S	Bend	trans	-136.2	82.1	-178.3	-176.7	2.6	0	0	0	110.1	S187 S194 T195	S187-D191 PolarHBondContact O-N 3.3Å; D191-S194 WeakPolarHBondContact OD1-CB 3.49Å; D191-S194 PolarHBondContact OD1-N 3.06Å; D191-S194 WeakPolarHBondContact OD2-CB 3.38Å; D191-S194 PolarHBondContact OD2-OG 3.1Å; D191-T195 WeakPolarHBondContact O-CB 3.49Å; D191-T195 PolarHBondContact O-N 3.08Å; D191-T195 VanDerWaalsContact O-N 3.09Å; D191-T195 PolarHBondContact O-OG1 3.09Å
192	R	83.4	Confident	85.8	Confident	74 Å²	74	67.7 Å²	67.7	28%	0.279	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-51.4	-171.3	-170.7	-167.5	69.6	88	5.2	112.5	Y188 T195 L196 E213	Y188-R192 HydrophobicContact CD2-CG 4.18Å; Y188-R192 HydrophobicContact CE2-CG 3.6Å; Y188-R192 VanDerWaalsContact O-CA 3.24Å; Y188-R192 WeakPolarHBondContact O-CA 3.34Å; Y188-R192 PolarHBondContact O-N 3.09Å; R192-T195 PolarHBondContact O-N 2.83Å; R192-L196 HydrophobicContact CG-CD1 4.14Å; R192-L196 WeakPolarHBondContact O-CB 3.38Å; R192-L196 WeakPolarHBondContact O-CG 3.48Å; R192-L196 PolarHBondContact O-N 3.19Å; R192-E213 IonicContact NH1-OE1 3.26Å; R192-E213 PolarHBondContact NH1-OE1 3.34Å; R192-E213 IonicContact NH1-OE2 3.58Å
193	E	84.6	Confident	86	Confident	139 Å²	139	65.8 Å²	65.8	65%	0.65	33%	0.33	S	S	*	.	H	α-helix	trans	-68.7	-46.2	-171.5	-72.2	-178.6	-179.7	0	0	111.8	T195 L196 H197	E193-T195 VanDerWaalsContact C-N 3.34Å; E193-T195 PolarHBondContact O-N 3.43Å; E193-L196 PolarHBondContact O-N 3.16Å; E193-H197 WeakPolarHBondContact O-CB 3.49Å; E193-H197 PolarHBondContact O-N 2.99Å
194	S	86	Confident	85.9	Confident	38 Å²	38	65.3 Å²	65.3	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-42.6	175.6	-175.2	0	0	0	0	111.6	D191 H197 K198	D191-S194 WeakPolarHBondContact OD1-CB 3.49Å; D191-S194 PolarHBondContact OD1-N 3.06Å; D191-S194 WeakPolarHBondContact OD2-CB 3.38Å; D191-S194 PolarHBondContact OD2-OG 3.1Å; S194-H197 PolarHBondContact O-N 3.47Å; S194-K198 WeakPolarHBondContact O-CB 3.23Å; S194-K198 VanDerWaalsContact O-CG 3.29Å; S194-K198 WeakPolarHBondContact O-CG 3.46Å; S194-K198 PolarHBondContact O-N 3.49Å
195	T	87.3	Confident	85.7	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-47.5	179.7	-61.3	0	0	0	0	111.7	L184 S187 Y188 D191 R192 E193 H197 K198 L199	L184-T195 HydrophobicContact CD2-CG2 4.17Å; L184-T195 HydrophobicContact CG-CG2 4.22Å; L184-T195 WeakPolarHBondContact O-CG2 3.47Å; S187-T195 PolarHBondContact OG-OG1 3.46Å; Y188-T195 HydrophobicContact CD2-CG2 4.41Å; D191-T195 WeakPolarHBondContact O-CB 3.49Å; D191-T195 PolarHBondContact O-N 3.08Å; D191-T195 VanDerWaalsContact O-N 3.09Å; D191-T195 PolarHBondContact O-OG1 3.09Å; R192-T195 PolarHBondContact O-N 2.83Å; E193-T195 VanDerWaalsContact C-N 3.34Å; E193-T195 PolarHBondContact O-N 3.43Å; T195-H197 VanDerWaalsContact C-N 3.34Å; T195-H197 PolarHBondContact O-N 3.1Å; T195-K198 PolarHBondContact O-N 3.14Å; T195-L199 HydrophobicContact CG2-CD1 4.05Å; T195-L199 HydrophobicContact CG2-CG 4.45Å; T195-L199 WeakPolarHBondContact O-CB 3.09Å; T195-L199 WeakPolarHBondContact O-CG 2.81Å; T195-L199 PolarHBondContact O-N 3.18Å
196	L	86.9	Confident	85.4	Confident	13 Å²	13	68.8 Å²	68.8	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-63.4	-40	177	-79.1	173.3	0	0	0	112.1	L153 Y188 R192 E193 K198 L199 H200 V211 E213	L153-L196 HydrophobicContact CD1-CD2 3.85Å; Y188-L196 HydrophobicContact CD2-CD2 4.47Å; Y188-L196 HydrophobicContact CD2-CG 4.25Å; Y188-L196 HydrophobicContact CE2-CD1 4.07Å; Y188-L196 HydrophobicContact CE2-CD2 4.06Å; Y188-L196 HydrophobicContact CE2-CG 3.88Å; R192-L196 HydrophobicContact CG-CD1 4.14Å; R192-L196 WeakPolarHBondContact O-CB 3.38Å; R192-L196 WeakPolarHBondContact O-CG 3.48Å; R192-L196 PolarHBondContact O-N 3.19Å; E193-L196 PolarHBondContact O-N 3.16Å; L196-K198 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 2.95Å; L196-L199 PolarHBondContact O-N 3.46Å; L196-H200 WeakPolarHBondContact O-CB 3.05Å; L196-H200 PolarHBondContact O-CD2 2.75Å; L196-H200 PolarHBondContact O-N 2.92Å; L196-V211 HydrophobicContact CD2-CG1 4.48Å; L196-E213 VanDerWaalsContact CD1-OE2 3.24Å; L196-E213 WeakPolarHBondContact CD1-OE2 3.35Å; L196-E213 HydrophobicContact CD2-CB 4.43Å
197	H	88.1	Confident	85.2	Confident	146 Å²	146	69.2 Å²	69.2	68%	0.676	36%	0.358	S	S	*	.	H	α-helix	trans	-62	-44.4	177.5	-163.4	63.2	0	0	0	111.2	E193 S194 T195 H200 H201	E193-H197 WeakPolarHBondContact O-CB 3.49Å; E193-H197 PolarHBondContact O-N 2.99Å; S194-H197 PolarHBondContact O-N 3.47Å; T195-H197 VanDerWaalsContact C-N 3.34Å; T195-H197 PolarHBondContact O-N 3.1Å; H197-H200 PolarHBondContact O-N 3.34Å; H197-H201 WeakPolarHBondContact O-CB 3.45Å; H197-H201 PolarHBondContact O-N 3.13Å
198	K	87.7	Confident	85	Confident	109 Å²	109	67.3 Å²	67.3	47%	0.474	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-43.2	173.9	-71.1	173	-173.9	174.9	0	112.2	L184 S194 T195 L196 H201 I202	L184-K198 HydrophobicContact CD1-CB 3.88Å; L184-K198 HydrophobicContact CD1-CD 3.74Å; L184-K198 HydrophobicContact CD1-CG 4.44Å; L184-K198 HydrophobicContact CD2-CB 4.28Å; S194-K198 WeakPolarHBondContact O-CB 3.23Å; S194-K198 VanDerWaalsContact O-CG 3.29Å; S194-K198 WeakPolarHBondContact O-CG 3.46Å; S194-K198 PolarHBondContact O-N 3.49Å; T195-K198 PolarHBondContact O-N 3.14Å; L196-K198 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 2.95Å; K198-H201 WeakPolarHBondContact O-CB 3.33Å; K198-H201 PolarHBondContact O-N 3.04Å; K198-I202 VanDerWaalsContact O-CG1 3.23Å; K198-I202 WeakPolarHBondContact O-CG1 3.1Å; K198-I202 PolarHBondContact O-N 3.35Å
199	L	87.9	Confident	85	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-44.2	176.8	-80.2	175.8	0	0	0	112.8	L153 I155 L181 L184 T195 L196 H201 I202 Q203 I209 V211	L153-L199 HydrophobicContact CD1-CD1 4.14Å; L153-L199 HydrophobicContact CD2-CD1 3.57Å; L153-L199 HydrophobicContact CG-CD1 4.4Å; I155-L199 HydrophobicContact CD1-CD1 4.17Å; I155-L199 HydrophobicContact CD1-CD2 4.02Å; L181-L199 HydrophobicContact CD1-CD2 4.36Å; L184-L199 HydrophobicContact CD2-CB 4.43Å; L184-L199 HydrophobicContact CD2-CD1 4.25Å; L184-L199 HydrophobicContact CD2-CD2 3.3Å; L184-L199 HydrophobicContact CD2-CG 3.34Å; T195-L199 HydrophobicContact CG2-CD1 4.05Å; T195-L199 HydrophobicContact CG2-CG 4.45Å; T195-L199 WeakPolarHBondContact O-CB 3.09Å; T195-L199 WeakPolarHBondContact O-CG 2.81Å; T195-L199 PolarHBondContact O-N 3.18Å; L196-L199 PolarHBondContact O-N 3.46Å; L199-H201 VanDerWaalsContact C-N 3.34Å; L199-I202 PolarHBondContact O-N 3.48Å; L199-Q203 WeakPolarHBondContact O-CB 3.4Å; L199-Q203 PolarHBondContact O-N 2.92Å; L199-I209 HydrophobicContact CD2-CD1 4.05Å; L199-V211 HydrophobicContact CB-CG1 4.43Å; L199-V211 HydrophobicContact CB-CG2 4.1Å; L199-V211 HydrophobicContact CD1-CG1 4.16Å; L199-V211 HydrophobicContact CD2-CG2 4.41Å
200	H	87.5	Confident	85.3	Confident	82 Å²	82	67.5 Å²	67.5	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-38.5	175.8	-80.4	-58.9	0	0	0	111.9	L196 H197 I202 Q203 I204	L196-H200 WeakPolarHBondContact O-CB 3.05Å; L196-H200 PolarHBondContact O-CD2 2.75Å; L196-H200 PolarHBondContact O-N 2.92Å; H197-H200 PolarHBondContact O-N 3.34Å; H200-I202 VanDerWaalsContact C-N 3.35Å; H200-I202 PolarHBondContact O-N 2.85Å; H200-Q203 PolarHBondContact O-N 3.05Å; H200-I204 VanDerWaalsContact O-CG1 3.27Å; H200-I204 WeakPolarHBondContact O-CG1 3.43Å; H200-I204 PolarHBondContact O-N 2.92Å
201	H	87.2	Confident	85.4	Confident	127 Å²	127	60.6 Å²	60.6	59%	0.588	31%	0.31	S	S	*	.	H	α-helix	trans	-60.2	-45.1	173.3	-172	-84.4	0	0	0	111.4	H197 K198 L199 I204 A205	H197-H201 WeakPolarHBondContact O-CB 3.45Å; H197-H201 PolarHBondContact O-N 3.13Å; K198-H201 WeakPolarHBondContact O-CB 3.33Å; K198-H201 PolarHBondContact O-N 3.04Å; L199-H201 VanDerWaalsContact C-N 3.34Å; H201-I204 PolarHBondContact O-N 2.87Å; H201-A205 WeakPolarHBondContact O-CB 3.17Å; H201-A205 PolarHBondContact O-N 2.03Å
202	I	84.6	Confident	85.4	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-40.8	176.2	-63.9	165	0	0	0	111.2	V176 K198 L199 H200 I204 A205 S206 I209	V176-I202 HydrophobicContact CG1-CD1 4.13Å; V176-I202 HydrophobicContact CG1-CG2 4.21Å; V176-I202 HydrophobicContact CG2-CD1 3.94Å; V176-I202 HydrophobicContact CG2-CG1 3.97Å; V176-I202 HydrophobicContact CG2-CG2 4.21Å; K198-I202 VanDerWaalsContact O-CG1 3.23Å; K198-I202 WeakPolarHBondContact O-CG1 3.1Å; K198-I202 PolarHBondContact O-N 3.35Å; L199-I202 PolarHBondContact O-N 3.48Å; H200-I202 VanDerWaalsContact C-N 3.35Å; H200-I202 PolarHBondContact O-N 2.85Å; I202-I204 PolarHBondContact O-N 3.39Å; I202-A205 PolarHBondContact O-N 3.3Å; I202-S206 WeakPolarHBondContact O-CB 3.22Å; I202-S206 PolarHBondContact O-N 3.23Å; I202-S206 PolarHBondContact O-OG 3.38Å; I202-I209 HydrophobicContact CB-CD1 3.86Å; I202-I209 HydrophobicContact CG2-CD1 3.53Å; I202-I209 HydrophobicContact CG2-CG1 4.03Å
203	Q	86.9	Confident	85.3	Confident	37 Å²	37	58.6 Å²	58.6	17%	0.173	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-43.8	175.6	170.6	169.2	-29.2	0	0	111.8	L199 H200 T207 I209	L199-Q203 WeakPolarHBondContact O-CB 3.4Å; L199-Q203 PolarHBondContact O-N 2.92Å; H200-Q203 PolarHBondContact O-N 3.05Å; Q203-T207 VanDerWaalsContact O-CA 3.22Å; Q203-T207 WeakPolarHBondContact O-CA 3.32Å; Q203-T207 PolarHBondContact O-N 3.27Å; Q203-I209 HydrophobicContact CB-CG1 3.96Å; Q203-I209 VanDerWaalsContact CG-O 3.26Å; Q203-I209 WeakPolarHBondContact CG-O 3.5Å
204	I	83.7	Confident	84.9	Confident	139 Å²	139	54.5 Å²	54.5	71%	0.713	29%	0.289	S	S	*	.	H	α-helix	trans	-71.5	-44.1	179.2	-66	164.6	0	0	0	110.7	H200 H201 I202	H200-I204 VanDerWaalsContact O-CG1 3.27Å; H200-I204 WeakPolarHBondContact O-CG1 3.43Å; H200-I204 PolarHBondContact O-N 2.92Å; H201-I204 PolarHBondContact O-N 2.87Å; I202-I204 PolarHBondContact O-N 3.39Å
205	A	81.8	Confident	84.1	Confident	77 Å²	77	58.5 Å²	58.5	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-71.9	-40.3	-175.2	0	0	0	0	0	113.4	H201 I202	H201-A205 WeakPolarHBondContact O-CB 3.17Å; H201-A205 PolarHBondContact O-N 2.03Å; I202-A205 PolarHBondContact O-N 3.3Å
206	S	77.9	Confident	82.9	Confident	33 Å²	33	61.3 Å²	61.3	23%	0.231	32%	0.315	C	S	.	.	H	α-helix	trans	-104.4	-24.8	-173.9	70.8	0	0	0	0	113.8	I202 A208	I202-S206 WeakPolarHBondContact O-CB 3.22Å; I202-S206 PolarHBondContact O-N 3.23Å; I202-S206 PolarHBondContact O-OG 3.38Å; S206-A208 PolarHBondContact O-N 3.1Å; S206-A208 WeakPolarHBondContact OG-CB 3.44Å; S206-A208 PolarHBondContact OG-N 3.4Å; S206-A208 VanDerWaalsContact OG-N 3.12Å
207	T	81.3	Confident	81.6	Confident	77 Å²	77	61.3 Å²	61.3	47%	0.472	32%	0.318	S	S	.	.			trans	51.7	7.7	-164.4	72.1	0	0	0	0	114.6	Q203 I209	Q203-T207 VanDerWaalsContact O-CA 3.22Å; Q203-T207 WeakPolarHBondContact O-CA 3.32Å; Q203-T207 PolarHBondContact O-N 3.27Å; T207-I209 VanDerWaalsContact C-N 3.27Å; T207-I209 PolarHBondContact O-N 2.8Å
208	A	82.9	Confident	80	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-80	-14.9	-175.6	0	0	0	0	0	111.8	D158 K161 L162 S206	D158-A208 PolarHBondContact N-O 3.29Å; K161-A208 HydrophobicContact CB-CB 3.83Å; L162-A208 HydrophobicContact CD1-CB 3.8Å; S206-A208 PolarHBondContact O-N 3.1Å; S206-A208 WeakPolarHBondContact OG-CB 3.44Å; S206-A208 PolarHBondContact OG-N 3.4Å; S206-A208 VanDerWaalsContact OG-N 3.12Å
209	I	87.5	Confident	78.3	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.4	178.5	70.2	173.1	0	0	0	111.8	I155 F156 V157 L162 L181 L199 I202 Q203 T207 V211	I155-I209 HydrophobicContact CG2-CB 4.09Å; I155-I209 HydrophobicContact CG2-CG2 4.44Å; F156-I209 CarbonylContact O-C 3.52Å; F156-I209 WeakPolarHBondContact O-CA 3.48Å; V157-I209 HydrophobicContact CG1-CG2 4.44Å; V157-I209 HydrophobicContact CG2-CG2 4.1Å; L162-I209 HydrophobicContact CD1-CG2 4.16Å; L181-I209 HydrophobicContact CD1-CD1 3.75Å; L181-I209 HydrophobicContact CD1-CG2 3.8Å; L199-I209 HydrophobicContact CD2-CD1 4.05Å; I202-I209 HydrophobicContact CB-CD1 3.86Å; I202-I209 HydrophobicContact CG2-CD1 3.53Å; I202-I209 HydrophobicContact CG2-CG1 4.03Å; Q203-I209 HydrophobicContact CB-CG1 3.96Å; Q203-I209 VanDerWaalsContact CG-O 3.26Å; Q203-I209 WeakPolarHBondContact CG-O 3.5Å; T207-I209 VanDerWaalsContact C-N 3.27Å; T207-I209 PolarHBondContact O-N 2.8Å; I209-V211 HydrophobicContact CD1-CG2 3.96Å; I209-V211 HydrophobicContact CG1-CG2 4.28Å
210	K	87.9	Confident	76.4	Confident	67 Å²	67	57.5 Å²	57.5	29%	0.291	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.7	169	-176.5	80.4	179.1	-172.8	0	108.6	F77 I155 F156	F77-K210 HydrophobicContact CE1-CB 3.99Å; F77-K210 HydrophobicContact CE2-CB 4.16Å; F77-K210 HydrophobicContact CZ-CB 3.77Å; I155-K210 WeakPolarHBondContact CA-O 3.29Å; F156-K210 HydrophobicContact CB-CB 4.2Å; F156-K210 PolarHBondContact N-O 2.96Å; F156-K210 PolarHBondContact O-N 3.27Å
211	V	87.6	Confident	74.4	Confident	10 Å²	10	56.7 Å²	56.7	6%	0.061	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.5	-173	-175.5	0	0	0	0	109.1	L153 M154 I155 L196 L199 I209	L153-V211 HydrophobicContact CD1-CG1 3.46Å; L153-V211 VanDerWaalsContact CD1-CG1 3.46Å; M154-V211 WeakPolarHBondContact O-CA 3.5Å; I155-V211 HydrophobicContact CG1-CG2 4.44Å; I155-V211 HydrophobicContact CG2-CG2 4.23Å; L196-V211 HydrophobicContact CD2-CG1 4.48Å; L199-V211 HydrophobicContact CB-CG1 4.43Å; L199-V211 HydrophobicContact CB-CG2 4.1Å; L199-V211 HydrophobicContact CD1-CG1 4.16Å; L199-V211 HydrophobicContact CD2-CG2 4.41Å; I209-V211 HydrophobicContact CD1-CG2 3.96Å; I209-V211 HydrophobicContact CG1-CG2 4.28Å
212	T	84.4	Confident	72.3	Confident	41 Å²	41	56.4 Å²	56.4	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	113.8	174.9	52.9	0	0	0	0	108.7	M154	M154-T212 WeakPolarHBondContact CB-OG1 3.35Å; M154-T212 PolarHBondContact N-O 2.92Å; M154-T212 PolarHBondContact O-N 3.37Å
213	E	82	Confident	70.5	Confident	69 Å²	69	61.2 Å²	61.2	32%	0.322	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.9	170.4	-180	179.2	-144.8	0	0	108.7	Y188 R192 L196	Y188-E213 WeakPolarHBondContact OH-CG 3.13Å; Y188-E213 PolarHBondContact OH-OE1 2.74Å; R192-E213 IonicContact NH1-OE1 3.26Å; R192-E213 PolarHBondContact NH1-OE1 3.34Å; R192-E213 IonicContact NH1-OE2 3.58Å; L196-E213 VanDerWaalsContact CD1-OE2 3.24Å; L196-E213 WeakPolarHBondContact CD1-OE2 3.35Å; L196-E213 HydrophobicContact CD2-CB 4.43Å
214	T	75.3	Confident	68.7	Low	52 Å²	52	69.2 Å²	69.2	32%	0.319	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.1	174.6	33.1	0	0	0	0	108.5	E151 S152	E151-T214 WeakPolarHBondContact CA-O 3.31Å; S152-T214 PolarHBondContact N-O 2.94Å; S152-T214 PolarHBondContact O-N 3.48Å; S152-T214 PolarHBondContact O-OG1 2.92Å; S152-T214 PolarHBondContact OG-OG1 2.8Å
215	R	69.1	Low	67.1	Low	123 Å²	123	69.2 Å²	69.2	46%	0.464	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	107.9	-179.6	-141.1	-162.5	162.8	-164.8	-11.8	108.1	E151 L219	E151-R215 HydrophobicContact CB-CG 4.13Å; E151-R215 HydrophobicContact CG-CG 4.03Å; E151-R215 IonicContact OE2-NE 3.98Å; R215-L219 HydrophobicContact CB-CD1 3.89Å; R215-L219 HydrophobicContact CG-CD1 3.38Å; R215-L219 HydrophobicContact CG-CD2 4.36Å; R215-L219 HydrophobicContact CG-CG 4.4Å; R215-L219 VanDerWaalsContact NE-CD2 3.33Å
216	T	62.5	Low	65.4	Low	60 Å²	60	71.6 Å²	71.6	37%	0.368	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.8	-169.9	70.1	0	0	0	0	108.6	G149 E150 L234	G149-T216 CarbonylContact C-O 3.51Å; G149-T216 WeakPolarHBondContact CA-O 3.01Å; E150-T216 PolarHBondContact N-O 3.09Å; E150-T216 PolarHBondContact O-N 3.29Å; E150-T216 VanDerWaalsContact O-O 3.09Å; E150-T216 PolarHBondContact O-OG1 3.19Å; T216-L234 HydrophobicContact CG2-CD1 4.4Å; T216-L234 WeakPolarHBondContact OG1-CD1 3.48Å
217	G	60	Low	64.1	Low	13 Å²	13	75.2 Å²	75.2	13%	0.134	42%	0.417	C	S	.	.	S	Bend	trans	133.1	-175.7	-173.7	0	0	0	0	0	112.6	L219 S232	G217-L219 VanDerWaalsContact C-N 3.3Å; G217-L219 WeakPolarHBondContact O-CG 3.12Å; G217-L219 PolarHBondContact O-N 2.94Å; G217-S232 CarbonylContact C-O 3.51Å; G217-S232 VanDerWaalsContact C-O 3.26Å; G217-S232 WeakPolarHBondContact CA-O 3.04Å
218	P	54.5	Low	62.3	Low	46 Å²	46	79.8 Å²	79.8	30%	0.299	44%	0.439	S	S	.	.			trans	-76.2	83	-175.1	31.4	-32.8	0	0	0	110.2	G220 V230 S232	P218-G220 PolarHBondContact O-N 3.5Å; P218-V230 HydrophobicContact CB-CG1 3.49Å; P218-V230 VanDerWaalsContact CB-CG1 3.49Å; P218-V230 HydrophobicContact CG-CG1 3.72Å; P218-S232 VanDerWaalsContact CD-O 3.27Å; P218-S232 WeakPolarHBondContact CD-O 3.35Å; P218-S232 VanDerWaalsContact N-O 3.16Å
219	L	52.4	Low	60.5	Low	61 Å²	61	83.7 Å²	83.7	32%	0.319	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	65.4	-173.4	-63	154.8	0	0	0	108.6	F87 R215 G217	F87-L219 HydrophobicContact CD2-CD2 4.39Å; F87-L219 HydrophobicContact CE2-CD2 4.03Å; R215-L219 HydrophobicContact CB-CD1 3.89Å; R215-L219 HydrophobicContact CG-CD1 3.38Å; R215-L219 HydrophobicContact CG-CD2 4.36Å; R215-L219 HydrophobicContact CG-CG 4.4Å; R215-L219 VanDerWaalsContact NE-CD2 3.33Å; G217-L219 VanDerWaalsContact C-N 3.3Å; G217-L219 WeakPolarHBondContact O-CG 3.12Å; G217-L219 PolarHBondContact O-N 2.94Å
220	G	47.7	Very low	58.5	Low	68 Å²	68	86.2 Å²	86.2	70%	0.701	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.7	-6	173	0	0	0	0	0	114.2	P218 S222	P218-G220 PolarHBondContact O-N 3.5Å; G220-S222 PolarHBondContact O-N 2.97Å
221	C	45.8	Very low	56.5	Low	65 Å²	65	88.6 Å²	88.6	44%	0.439	51%	0.507	S	S	.	.			trans	-97.8	87.2	-177.6	-57.7	0	0	0	0	110.2	N223	C221-N223 PolarHBondContact O-N 3.25Å
222	S	43	Very low	54.8	Low	122 Å²	122	90.9 Å²	90.9	85%	0.853	52%	0.523	S	S	*	.	S	Bend	trans	-72	-9.3	162.5	39.6	0	0	0	0	112.6	G220	G220-S222 PolarHBondContact O-N 2.97Å
223	N	45.3	Very low	53.4	Low	123 Å²	123	91.7 Å²	91.7	66%	0.658	53%	0.528	S	S	*	.	S	Bend	trans	-128.3	134.4	169.4	-91.9	-9	0	0	0	110.9	C221 D225	C221-N223 PolarHBondContact O-N 3.25Å; N223-D225 PolarHBondContact O-N 3.34Å
224	Y	49.7	Very low	52.2	Low	206 Å²	206	91.2 Å²	91.2	81%	0.808	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.6	-178.1	-104.8	-93.9	0	0	0	114.4	L227	Y224-L227 WeakPolarHBondContact O-CD1 3.46Å
225	D	49.6	Very low	51.3	Low	139 Å²	139	91.3 Å²	91.3	74%	0.743	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.5	-165.3	-67.4	-31.9	0	0	0	115.8	N223	N223-D225 PolarHBondContact O-N 3.34Å
226	N	48	Very low	50.5	Low	127 Å²	127	94 Å²	94	68%	0.679	55%	0.546	S	S	*	.			trans	-122.2	84.2	175	-86.4	-21.9	0	0	0	110.8
227	L	49.9	Very low	50.3	Low	108 Å²	108	91.9 Å²	91.9	57%	0.565	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-80.4	-10.5	178.3	-83.7	125.2	0	0	0	114.3	Y224 S229 V230	Y224-L227 WeakPolarHBondContact O-CD1 3.46Å; L227-S229 VanDerWaalsContact C-N 3.29Å; L227-S229 PolarHBondContact O-N 3.47Å; L227-V230 VanDerWaalsContact O-CG2 3.25Å; L227-V230 WeakPolarHBondContact O-CG2 3.38Å
228	D	43.7	Very low	50.1	Low	174 Å²	174	94.9 Å²	94.9	93%	0.93	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-80	-4.3	-175.5	-73.2	-18.2	0	0	0	114.2
229	S	45	Very low	50.2	Low	82 Å²	82	97.4 Å²	97.4	57%	0.573	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-115.4	21.7	-178.9	58.6	0	0	0	0	114.2	L227 S231	L227-S229 VanDerWaalsContact C-N 3.29Å; L227-S229 PolarHBondContact O-N 3.47Å; S229-S231 PolarHBondContact O-N 2.87Å
230	V	45.6	Very low	50.8	Low	54 Å²	54	95.3 Å²	95.3	33%	0.327	55%	0.547	S	S	.	.			trans	-79.2	82.1	-178	-177.3	0	0	0	0	110.1	P218 L227 S232 V233	P218-V230 HydrophobicContact CB-CG1 3.49Å; P218-V230 VanDerWaalsContact CB-CG1 3.49Å; P218-V230 HydrophobicContact CG-CG1 3.72Å; L227-V230 VanDerWaalsContact O-CG2 3.25Å; L227-V230 WeakPolarHBondContact O-CG2 3.38Å; V230-S232 PolarHBondContact O-N 3.14Å; V230-V233 HydrophobicContact CG1-CG2 3.77Å
231	S	44.7	Very low	51.7	Low	118 Å²	118	99.9 Å²	99.9	83%	0.825	55%	0.547	S	S	*	.			trans	-89.1	9.3	-169.7	58.3	0	0	0	0	116.7	S229	S229-S231 PolarHBondContact O-N 2.87Å
232	S	52.3	Low	53.1	Low	58 Å²	58	100.9 Å²	100.9	41%	0.406	55%	0.547	S	S	.	.			trans	-158.5	88.1	171.4	60	0	0	0	0	113.1	G217 P218 V230	G217-S232 CarbonylContact C-O 3.51Å; G217-S232 VanDerWaalsContact C-O 3.26Å; G217-S232 WeakPolarHBondContact CA-O 3.04Å; P218-S232 VanDerWaalsContact CD-O 3.27Å; P218-S232 WeakPolarHBondContact CD-O 3.35Å; P218-S232 VanDerWaalsContact N-O 3.16Å; V230-S232 PolarHBondContact O-N 3.14Å
233	V	55.8	Low	54.8	Low	58 Å²	58	100 Å²	100	35%	0.352	53%	0.53	S	S	.	.			trans	-91.3	131	165.7	-166.3	0	0	0	0	108.4	L147 G148 V230	L147-V233 HydrophobicContact CB-CB 4.49Å; L147-V233 HydrophobicContact CB-CG1 3.52Å; G148-V233 VanDerWaalsContact N-CG1 3.28Å; V230-V233 HydrophobicContact CG1-CG2 3.77Å
234	L	56.7	Low	56.6	Low	59 Å²	59	97.9 Å²	97.9	31%	0.309	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-92.9	134.2	-174.9	-69.1	162.6	0	0	0	111.3	G148 T216 Q236	G148-L234 PolarHBondContact N-O 3.09Å; G148-L234 PolarHBondContact O-N 2.78Å; T216-L234 HydrophobicContact CG2-CD1 4.4Å; T216-L234 WeakPolarHBondContact OG1-CD1 3.48Å; L234-Q236 VanDerWaalsContact C-N 3.32Å
235	V	55.7	Low	58.3	Low	53 Å²	53	91.7 Å²	91.7	32%	0.321	50%	0.497	S	S	.	.	S	Bend	trans	-80.5	-19.4	171.2	-179.7	0	0	0	0	110.8	L142 A145 L147	L142-V235 HydrophobicContact CD1-CG1 3.54Å; L142-V235 HydrophobicContact CD2-CG1 3.77Å; L142-V235 HydrophobicContact CG-CG1 4.31Å; A145-V235 HydrophobicContact CB-CG1 3.94Å; L147-V235 HydrophobicContact CD2-CB 4.19Å; L147-V235 HydrophobicContact CD2-CG2 3.43Å; L147-V235 VanDerWaalsContact CD2-CG2 3.43Å
236	Q	53.5	Low	60.1	Low	181 Å²	181	85.3 Å²	85.3	85%	0.846	46%	0.464	S	S	*	.			trans	-120.8	55.8	-157.8	-159	179.4	3.1	0	0	113.2	L234	L234-Q236 VanDerWaalsContact C-N 3.32Å
237	S	56.8	Low	62.1	Low	14 Å²	14	79.7 Å²	79.7	10%	0.098	43%	0.434	C	S	.	.			trans	-82.5	137.7	156.7	172.8	0	0	0	0	108.6	E150 E239 N240	E150-S237 WeakPolarHBondContact OE2-CB 3.24Å; E150-S237 PolarHBondContact OE2-OG 3.24Å; S237-E239 PolarHBondContact O-N 3.06Å; S237-N240 WeakPolarHBondContact O-CB 3.32Å; S237-N240 PolarHBondContact O-N 2.91Å
238	P	56.3	Low	63.9	Low	77 Å²	77	77.8 Å²	77.8	50%	0.5	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.5	180	21.7	-32.8	0	0	0	114.2
239	E	57.8	Low	65.9	Low	99 Å²	99	71.1 Å²	71.1	46%	0.463	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-4.1	175.6	-60.6	-152.3	-167.7	0	0	114	Y84 S237 K241	Y84-E239 WeakPolarHBondContact CE1-OE1 3.35Å; Y84-E239 VanDerWaalsContact CZ-OE2 3.23Å; Y84-E239 PolarHBondContact OH-OE1 3.47Å; Y84-E239 PolarHBondContact OH-OE2 2.65Å; S237-E239 PolarHBondContact O-N 3.06Å; E239-K241 PolarHBondContact O-N 3.46Å
240	N	63.3	Low	67.8	Low	17 Å²	17	69.4 Å²	69.4	9%	0.091	38%	0.375	C	S	.	.	S	Bend	trans	-69.9	119.2	173.7	-77.5	-20.4	0	0	0	110.2	M146 S237 I242	M146-N240 HydrophobicContact CE-CB 4.49Å; M146-N240 PolarHBondContact O-ND2 3.28Å; S237-N240 WeakPolarHBondContact O-CB 3.32Å; S237-N240 PolarHBondContact O-N 2.91Å; N240-I242 VanDerWaalsContact C-N 3.3Å; N240-I242 PolarHBondContact O-N 3.05Å
241	K	66.4	Low	69.8	Low	163 Å²	163	66.9 Å²	66.9	71%	0.709	36%	0.359	S	S	*	.			trans	-61.8	90.7	166.8	-62.3	-177.3	-179.6	-178.3	0	109.6	M146 E239	M146-K241 HydrophobicContact CE-CB 3.73Å; M146-K241 HydrophobicContact CE-CG 4.01Å; E239-K241 PolarHBondContact O-N 3.46Å
242	I	76.1	Confident	71.8	Confident	86 Å²	86	63.4 Å²	63.4	44%	0.441	33%	0.334	S	S	.	.			trans	-81.6	130.5	169.8	58.2	177.8	0	0	0	109.3	L142 A145 N240 L244	L142-I242 HydrophobicContact CD1-CB 4.23Å; L142-I242 HydrophobicContact CD1-CG2 4.11Å; A145-I242 HydrophobicContact CB-CG2 4.2Å; N240-I242 VanDerWaalsContact C-N 3.3Å; N240-I242 PolarHBondContact O-N 3.05Å; I242-L244 HydrophobicContact CD1-CD1 3.89Å; I242-L244 HydrophobicContact CD1-CD2 4.34Å; I242-L244 HydrophobicContact CD1-CG 4.1Å; I242-L244 HydrophobicContact CG1-CD1 4.45Å; I242-L244 HydrophobicContact CG1-CG 4.25Å
243	H	79.4	Confident	73.4	Confident	105 Å²	105	63.4 Å²	63.4	49%	0.486	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.9	169.5	-167.2	54.1	0	0	0	108	L143 S144	L143-H243 HydrophobicContact CB-CB 4.49Å; L143-H243 WeakPolarHBondContact CB-O 3.34Å; L143-H243 VanDerWaalsContact CD1-CD2 3.45Å; L143-H243 WeakPolarHBondContact CD1-CD2 3.32Å; L143-H243 PolarHBondContact N-O 2.94Å; S144-H243 PolarHBondContact N-O 2.95Å; S144-H243 PolarHBondContact O-N 3.45Å; S144-H243 WeakPolarHBondContact OG-CB 3.4Å
244	L	83.3	Confident	74.9	Confident	78 Å²	78	66.1 Å²	66.1	41%	0.408	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139	-178.7	-64.2	179.8	0	0	0	109.9	H140 F141 L142 I242	H140-L244 HydrophobicContact CB-CB 3.99Å; H140-L244 HydrophobicContact CB-CD1 4.29Å; H140-L244 HydrophobicContact CB-CD2 4.46Å; H140-L244 HydrophobicContact CB-CG 4.49Å; F141-L244 WeakPolarHBondContact O-CA 3.43Å; L142-L244 HydrophobicContact CB-CD2 4.47Å; L142-L244 HydrophobicContact CD1-CD2 3.99Å; I242-L244 HydrophobicContact CD1-CD1 3.89Å; I242-L244 HydrophobicContact CD1-CD2 4.34Å; I242-L244 HydrophobicContact CD1-CG 4.1Å; I242-L244 HydrophobicContact CG1-CD1 4.45Å; I242-L244 HydrophobicContact CG1-CG 4.25Å
245	Q	85.1	Confident	76.4	Confident	76 Å²	76	63.4 Å²	63.4	36%	0.355	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.8	165.4	-176.2	170.3	16.8	0	0	109.1	H140 F141 L143 L247 A249	H140-Q245 CarbonylContact C-O 3.53Å; H140-Q245 VanDerWaalsContact CA-O 3.29Å; H140-Q245 WeakPolarHBondContact CA-O 3.16Å; H140-Q245 WeakPolarHBondContact CB-O 3.49Å; F141-Q245 HydrophobicContact CD1-CB 4.48Å; F141-Q245 VanDerWaalsContact CD1-O 3.23Å; F141-Q245 WeakPolarHBondContact CD1-O 3.3Å; F141-Q245 HydrophobicContact CE1-CB 3.85Å; F141-Q245 HydrophobicContact CE1-CG 3.89Å; F141-Q245 HydrophobicContact CE2-CB 4.26Å; F141-Q245 HydrophobicContact CZ-CB 3.72Å; F141-Q245 HydrophobicContact CZ-CG 3.85Å; F141-Q245 PolarHBondContact N-O 3.47Å; F141-Q245 PolarHBondContact O-N 3.38Å; L143-Q245 HydrophobicContact CD1-CB 3.53Å; L143-Q245 HydrophobicContact CD1-CG 4.34Å; L143-Q245 HydrophobicContact CD2-CB 4.34Å; L143-Q245 HydrophobicContact CG-CB 3.63Å; Q245-L247 PolarHBondContact O-N 3.21Å; Q245-A249 HydrophobicContact CG-CB 4Å; Q245-A249 VanDerWaalsContact NE2-CB 3.33Å
246	G	86.6	Confident	78	Confident	5 Å²	5	66.4 Å²	66.4	5%	0.052	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.4	179.2	0	0	0	0	0	111.5	H140 Q248 A249	H140-G246 VanDerWaalsContact CD2-CA 3.49Å; H140-G246 WeakPolarHBondContact CD2-CA 3.31Å; H140-G246 PolarHBondContact CD2-N 3.29Å; G246-Q248 PolarHBondContact O-N 3.03Å; G246-Q248 PolarHBondContact O-OE1 3.32Å; G246-A249 WeakPolarHBondContact O-CB 3.46Å; G246-A249 PolarHBondContact O-N 2.72Å
247	L	89.2	Confident	79.7	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.047	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-58.4	-21.9	-177.4	-163.3	72.2	0	0	0	112.3	F113 T139 F141 Q245 A249 I250 L251 F259	F113-L247 HydrophobicContact CE2-CD2 4.12Å; F113-L247 HydrophobicContact CZ-CD1 4.31Å; F113-L247 HydrophobicContact CZ-CD2 4.2Å; F113-L247 HydrophobicContact CZ-CG 4.33Å; T139-L247 WeakPolarHBondContact O-CB 3.2Å; T139-L247 PolarHBondContact O-N 3.48Å; F141-L247 HydrophobicContact CB-CD1 4.35Å; F141-L247 HydrophobicContact CD1-CD1 4.1Å; Q245-L247 PolarHBondContact O-N 3.21Å; L247-A249 PolarHBondContact O-N 3.18Å; L247-I250 HydrophobicContact CD1-CD1 3.55Å; L247-I250 HydrophobicContact CD1-CG1 3.98Å; L247-I250 HydrophobicContact CG-CD1 4.29Å; L247-I250 HydrophobicContact CG-CG1 4.27Å; L247-I250 WeakPolarHBondContact O-CG1 3.37Å; L247-I250 PolarHBondContact O-N 3.11Å; L247-I250 VanDerWaalsContact O-N 3.15Å; L247-L251 WeakPolarHBondContact O-CG 3.09Å; L247-L251 PolarHBondContact O-N 3.36Å; L247-F259 HydrophobicContact CB-CE1 3.92Å; L247-F259 HydrophobicContact CB-CZ 3.71Å; L247-F259 HydrophobicContact CD2-CE2 4.02Å; L247-F259 HydrophobicContact CD2-CZ 3.84Å; L247-F259 HydrophobicContact CG-CZ 4.32Å
248	Q	88.1	Confident	81.3	Confident	67 Å²	67	65.7 Å²	65.7	31%	0.313	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24.2	173.1	73.3	-80.1	3.1	0	0	114	G246 I250 L251 R256 F259 V260	G246-Q248 PolarHBondContact O-N 3.03Å; G246-Q248 PolarHBondContact O-OE1 3.32Å; Q248-I250 VanDerWaalsContact C-N 3.31Å; Q248-I250 PolarHBondContact O-N 2.89Å; Q248-L251 PolarHBondContact O-N 3.46Å; Q248-R256 HydrophobicContact CB-CB 4.42Å; Q248-R256 WeakPolarHBondContact O-CD 3.12Å; Q248-R256 VanDerWaalsContact O-CG 3.3Å; Q248-R256 WeakPolarHBondContact O-CG 2.97Å; Q248-R256 PolarHBondContact O-NE 2.92Å; Q248-F259 HydrophobicContact CB-CD1 3.98Å; Q248-V260 HydrophobicContact CB-CG2 4.11Å; Q248-V260 HydrophobicContact CG-CG2 4.02Å
249	A	86.6	Confident	82.9	Confident	34 Å²	34	62.1 Å²	62.1	28%	0.281	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-64.2	-37.1	179.8	0	0	0	0	0	112.4	F141 Q245 G246 L247 R256	F141-A249 HydrophobicContact CE1-CB 4.36Å; Q245-A249 HydrophobicContact CG-CB 4Å; Q245-A249 VanDerWaalsContact NE2-CB 3.33Å; G246-A249 WeakPolarHBondContact O-CB 3.46Å; G246-A249 PolarHBondContact O-N 2.72Å; L247-A249 PolarHBondContact O-N 3.18Å; A249-R256 PolarHBondContact O-NH2 3.41Å
250	I	84.9	Confident	84.5	Confident	46 Å²	46	60.2 Å²	60.2	24%	0.236	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-12.5	-178.6	64	164.6	0	0	0	113.1	L109 F113 F141 L247 Q248	L109-I250 HydrophobicContact CD2-CD1 3.88Å; F113-I250 HydrophobicContact CE1-CD1 3.72Å; F113-I250 HydrophobicContact CE1-CG1 4.49Å; F113-I250 HydrophobicContact CZ-CD1 3.93Å; F141-I250 HydrophobicContact CE1-CG2 4.03Å; F141-I250 HydrophobicContact CZ-CG2 4.03Å; L247-I250 HydrophobicContact CD1-CD1 3.55Å; L247-I250 HydrophobicContact CD1-CG1 3.98Å; L247-I250 HydrophobicContact CG-CD1 4.29Å; L247-I250 HydrophobicContact CG-CG1 4.27Å; L247-I250 WeakPolarHBondContact O-CG1 3.37Å; L247-I250 PolarHBondContact O-N 3.11Å; L247-I250 VanDerWaalsContact O-N 3.15Å; Q248-I250 VanDerWaalsContact C-N 3.31Å; Q248-I250 PolarHBondContact O-N 2.89Å
251	L	86.8	Confident	85.7	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	33%	0.328	C	S	.	.	S	Bend	trans	-75.2	150.1	178.7	-67.9	178.4	0	0	0	112.2	F113 I117 L133 L247 Q248 L255 R256 F259	F113-L251 HydrophobicContact CZ-CD2 3.97Å; I117-L251 HydrophobicContact CD1-CD2 3.68Å; I117-L251 HydrophobicContact CG1-CD2 4.16Å; L133-L251 HydrophobicContact CD1-CD2 4.4Å; L247-L251 WeakPolarHBondContact O-CG 3.09Å; L247-L251 PolarHBondContact O-N 3.36Å; Q248-L251 PolarHBondContact O-N 3.46Å; L251-L255 HydrophobicContact CB-CB 4.49Å; L251-R256 HydrophobicContact CB-CG 4.46Å; L251-R256 PolarHBondContact O-NE 2.94Å; L251-F259 HydrophobicContact CD1-CB 3.65Å; L251-F259 HydrophobicContact CD1-CD1 4.01Å; L251-F259 HydrophobicContact CD1-CD2 3.41Å; L251-F259 VanDerWaalsContact CD1-CD2 3.41Å; L251-F259 HydrophobicContact CD1-CE2 4.04Å; L251-F259 HydrophobicContact CD1-CG 3.39Å
252	P	87.3	Confident	86.8	Confident	44 Å²	44	55.4 Å²	55.4	29%	0.286	29%	0.294	S	S	.	.			trans	-53.4	143	171.2	-25.2	33	0	0	0	112.4	I117 Y254 L255 R256	I117-P252 HydrophobicContact CG2-CG 4.03Å; P252-Y254 HydrophobicContact CB-CD1 3.66Å; P252-Y254 HydrophobicContact CB-CE1 3.25Å; P252-Y254 HydrophobicContact CG-CE1 4.02Å; P252-Y254 PolarHBondContact O-N 2.91Å; P252-L255 HydrophobicContact CG-CD1 4.45Å; P252-L255 PolarHBondContact O-N 3.36Å; P252-R256 WeakPolarHBondContact O-CG 3.45Å; P252-R256 PolarHBondContact O-N 2.81Å
253	G	85.7	Confident	87.4	Confident	58 Å²	58	51.9 Å²	51.9	60%	0.598	28%	0.278	S	S	*	.	H	α-helix	trans	-50.6	-38.2	-174.3	0	0	0	0	0	114.6	L255 R256	G253-L255 VanDerWaalsContact C-N 3.28Å; G253-L255 PolarHBondContact O-N 2.94Å; G253-R256 PolarHBondContact O-N 3.1Å
254	Y	86.8	Confident	87.8	Confident	115 Å²	115	50.8 Å²	50.8	45%	0.451	28%	0.275	S	S	.	.	H	α-helix	trans	-69.4	-20.7	179.5	68.6	-92.7	0	0	0	114.2	G121 R122 P252	G121-Y254 WeakPolarHBondContact O-CE2 3.35Å; R122-Y254 VanDerWaalsContact O-CD2 3.3Å; R122-Y254 WeakPolarHBondContact O-CD2 3.35Å; P252-Y254 HydrophobicContact CB-CD1 3.66Å; P252-Y254 HydrophobicContact CB-CE1 3.25Å; P252-Y254 HydrophobicContact CG-CE1 4.02Å; P252-Y254 PolarHBondContact O-N 2.91Å
255	L	89.1	Confident	88.1	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-93.2	-23.6	177.5	-67.4	-178	0	0	0	113.3	I117 P124 L251 P252 G253 A257 R258 F259	I117-L255 HydrophobicContact CG2-CD1 4.13Å; P124-L255 HydrophobicContact CG-CD2 3.41Å; P124-L255 VanDerWaalsContact CG-CD2 3.41Å; L251-L255 HydrophobicContact CB-CB 4.49Å; P252-L255 HydrophobicContact CG-CD1 4.45Å; P252-L255 PolarHBondContact O-N 3.36Å; G253-L255 VanDerWaalsContact C-N 3.28Å; G253-L255 PolarHBondContact O-N 2.94Å; L255-A257 PolarHBondContact O-N 3.42Å; L255-R258 PolarHBondContact O-N 3.26Å; L255-F259 WeakPolarHBondContact O-CB 3.01Å; L255-F259 PolarHBondContact O-N 3.3Å
256	R	89.8	Confident	88.1	Confident	117 Å²	117	47.9 Å²	47.9	44%	0.442	26%	0.257	S	S	.	.	H	α-helix	trans	-53.8	-52.4	-170.2	-62	-171	176.5	173.5	-7.9	113.2	Q248 A249 L251 P252 G253 R258 F259 V260	Q248-R256 HydrophobicContact CB-CB 4.42Å; Q248-R256 WeakPolarHBondContact O-CD 3.12Å; Q248-R256 VanDerWaalsContact O-CG 3.3Å; Q248-R256 WeakPolarHBondContact O-CG 2.97Å; Q248-R256 PolarHBondContact O-NE 2.92Å; A249-R256 PolarHBondContact O-NH2 3.41Å; L251-R256 HydrophobicContact CB-CG 4.46Å; L251-R256 PolarHBondContact O-NE 2.94Å; P252-R256 WeakPolarHBondContact O-CG 3.45Å; P252-R256 PolarHBondContact O-N 2.81Å; G253-R256 PolarHBondContact O-N 3.1Å; R256-R258 PolarHBondContact O-N 3.37Å; R256-F259 PolarHBondContact O-N 2.96Å; R256-V260 WeakPolarHBondContact O-CG2 3.38Å; R256-V260 PolarHBondContact O-N 3.37Å
257	A	88.8	Confident	87.9	Confident	76 Å²	76	51.3 Å²	51.3	63%	0.628	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-41.9	-178.4	0	0	0	0	0	112.5	L255 V260 Q261	L255-A257 PolarHBondContact O-N 3.42Å; A257-V260 PolarHBondContact O-N 3.39Å; A257-Q261 PolarHBondContact O-N 3.03Å
258	R	89.3	Confident	87.5	Confident	104 Å²	104	52.8 Å²	52.8	39%	0.392	29%	0.291	S	S	.	.	H	α-helix	trans	-68.7	-35.8	177.5	-71.3	-174.5	172.5	-111.5	-11.9	112.3	P124 L126 I129 L255 R256 Q261 A262	P124-R258 PolarHBondContact O-NH1 3.48Å; L126-R258 HydrophobicContact CD2-CB 4.39Å; L126-R258 WeakPolarHBondContact CD2-O 3.48Å; I129-R258 HydrophobicContact CD1-CB 3.66Å; L255-R258 PolarHBondContact O-N 3.26Å; R256-R258 PolarHBondContact O-N 3.37Å; R258-Q261 PolarHBondContact O-N 3.12Å; R258-A262 WeakPolarHBondContact O-CB 3.43Å; R258-A262 PolarHBondContact O-N 3.42Å
259	F	91.8	Very high	87.3	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-46	174.2	-179.3	-90.3	0	0	0	111.3	I129 L133 I134 L247 Q248 L251 L255 R256 Q261 A262 A263	I129-F259 HydrophobicContact CG2-CB 4.46Å; I129-F259 HydrophobicContact CG2-CD2 3.66Å; I129-F259 HydrophobicContact CG2-CE2 4.39Å; I129-F259 HydrophobicContact CG2-CG 4.47Å; L133-F259 HydrophobicContact CB-CE2 4.21Å; L133-F259 HydrophobicContact CD1-CD2 4.41Å; I134-F259 HydrophobicContact CD1-CE2 4.31Å; I134-F259 HydrophobicContact CG1-CD2 4.29Å; I134-F259 HydrophobicContact CG1-CE2 3.6Å; I134-F259 HydrophobicContact CG1-CZ 4Å; L247-F259 HydrophobicContact CB-CE1 3.92Å; L247-F259 HydrophobicContact CB-CZ 3.71Å; L247-F259 HydrophobicContact CD2-CE2 4.02Å; L247-F259 HydrophobicContact CD2-CZ 3.84Å; L247-F259 HydrophobicContact CG-CZ 4.32Å; Q248-F259 HydrophobicContact CB-CD1 3.98Å; L251-F259 HydrophobicContact CD1-CB 3.65Å; L251-F259 HydrophobicContact CD1-CD1 4.01Å; L251-F259 HydrophobicContact CD1-CD2 3.41Å; L251-F259 VanDerWaalsContact CD1-CD2 3.41Å; L251-F259 HydrophobicContact CD1-CE2 4.04Å; L251-F259 HydrophobicContact CD1-CG 3.39Å; L255-F259 WeakPolarHBondContact O-CB 3.01Å; L255-F259 PolarHBondContact O-N 3.3Å; R256-F259 PolarHBondContact O-N 2.96Å; F259-Q261 VanDerWaalsContact C-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.38Å; F259-A262 PolarHBondContact O-N 2.98Å; F259-A263 HydrophobicContact CE1-CB 4.4Å; F259-A263 VanDerWaalsContact O-CB 3.27Å; F259-A263 WeakPolarHBondContact O-CB 3.48Å; F259-A263 PolarHBondContact O-N 2.58Å
260	V	90.1	Very high	87.1	Confident	58 Å²	58	51.3 Å²	51.3	35%	0.352	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175.8	173.9	0	0	0	0	110.7	Q248 R256 A257 A262 A263 L264	Q248-V260 HydrophobicContact CB-CG2 4.11Å; Q248-V260 HydrophobicContact CG-CG2 4.02Å; R256-V260 WeakPolarHBondContact O-CG2 3.38Å; R256-V260 PolarHBondContact O-N 3.37Å; A257-V260 PolarHBondContact O-N 3.39Å; V260-A262 PolarHBondContact O-N 3.27Å; V260-A263 PolarHBondContact O-N 3.31Å; V260-L264 HydrophobicContact CG1-CD1 4Å; V260-L264 HydrophobicContact CG1-CG 4.38Å; V260-L264 WeakPolarHBondContact O-CB 3.5Å; V260-L264 VanDerWaalsContact O-CG 3.31Å; V260-L264 WeakPolarHBondContact O-CG 3.07Å; V260-L264 PolarHBondContact O-N 3.37Å
261	Q	88.7	Confident	86.7	Confident	80 Å²	80	53.1 Å²	53.1	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-42.3	176.6	-171.6	178.8	9	0	0	112.7	L126 A257 R258 F259 S265	L126-Q261 HydrophobicContact CD1-CG 4.1Å; L126-Q261 HydrophobicContact CD2-CB 4.11Å; L126-Q261 HydrophobicContact CD2-CG 4.15Å; A257-Q261 PolarHBondContact O-N 3.03Å; R258-Q261 PolarHBondContact O-N 3.12Å; F259-Q261 VanDerWaalsContact C-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.38Å; Q261-S265 WeakPolarHBondContact O-CB 3.46Å; Q261-S265 PolarHBondContact O-N 3.27Å; Q261-S265 PolarHBondContact O-OG 3.14Å
262	A	89.6	Confident	86.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-41	176	0	0	0	0	0	111.5	L126 I129 I134 R258 F259 V260 S265 Y266	L126-A262 HydrophobicContact CB-CB 4.42Å; L126-A262 HydrophobicContact CD2-CB 4.17Å; I129-A262 HydrophobicContact CB-CB 4.06Å; I129-A262 HydrophobicContact CG2-CB 3.86Å; I134-A262 HydrophobicContact CD1-CB 3.74Å; R258-A262 WeakPolarHBondContact O-CB 3.43Å; R258-A262 PolarHBondContact O-N 3.42Å; F259-A262 PolarHBondContact O-N 2.98Å; V260-A262 PolarHBondContact O-N 3.27Å; A262-S265 PolarHBondContact O-N 2.96Å; A262-Y266 WeakPolarHBondContact O-CB 3.4Å; A262-Y266 PolarHBondContact O-N 3.35Å
263	A	89.6	Confident	86.6	Confident	12 Å²	12	53.3 Å²	53.3	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-41.8	177.6	0	0	0	0	0	112.3	I134 T139 F259 V260 S265 Y266 I267	I134-A263 HydrophobicContact CD1-CB 4.05Å; T139-A263 HydrophobicContact CG2-CB 3.95Å; F259-A263 HydrophobicContact CE1-CB 4.4Å; F259-A263 VanDerWaalsContact O-CB 3.27Å; F259-A263 WeakPolarHBondContact O-CB 3.48Å; F259-A263 PolarHBondContact O-N 2.58Å; V260-A263 PolarHBondContact O-N 3.31Å; A263-S265 VanDerWaalsContact C-N 3.34Å; A263-Y266 PolarHBondContact O-N 2.95Å; A263-I267 WeakPolarHBondContact O-CG1 3.44Å; A263-I267 PolarHBondContact O-N 3.4Å
264	L	87.8	Confident	86.8	Confident	81 Å²	81	55 Å²	55	42%	0.424	28%	0.281	S	S	.	.	H	α-helix	trans	-66.6	-36	174.1	-69.6	173.6	0	0	0	112	V260 G268 F275	V260-L264 HydrophobicContact CG1-CD1 4Å; V260-L264 HydrophobicContact CG1-CG 4.38Å; V260-L264 WeakPolarHBondContact O-CB 3.5Å; V260-L264 VanDerWaalsContact O-CG 3.31Å; V260-L264 WeakPolarHBondContact O-CG 3.07Å; V260-L264 PolarHBondContact O-N 3.37Å; L264-G268 WeakPolarHBondContact O-CA 3.31Å; L264-G268 PolarHBondContact O-N 3.16Å; L264-F275 HydrophobicContact CB-CB 4.19Å; L264-F275 HydrophobicContact CB-CD1 3.78Å; L264-F275 HydrophobicContact CB-CE1 4.37Å; L264-F275 HydrophobicContact CB-CG 4.08Å; L264-F275 HydrophobicContact CD1-CD1 4.11Å; L264-F275 HydrophobicContact CD1-CE1 4.22Å; L264-F275 HydrophobicContact CG-CD1 4.48Å
265	S	87.9	Confident	86.8	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-38.2	174.3	-54.1	0	0	0	0	111.9	Q261 A262 A263 C269 F275	Q261-S265 WeakPolarHBondContact O-CB 3.46Å; Q261-S265 PolarHBondContact O-N 3.27Å; Q261-S265 PolarHBondContact O-OG 3.14Å; A262-S265 PolarHBondContact O-N 2.96Å; A263-S265 VanDerWaalsContact C-N 3.34Å; S265-C269 WeakPolarHBondContact O-CA 3.44Å; S265-C269 VanDerWaalsContact O-CB 3.26Å; S265-C269 WeakPolarHBondContact O-CB 3.46Å; S265-C269 PolarHBondContact O-N 2.93Å; S265-C269 VanDerWaalsContact O-N 3.14Å; S265-F275 PolarHBondContact OG-N 3.26Å
266	Y	86.4	Confident	86.8	Confident	84 Å²	84	53.2 Å²	53.2	33%	0.329	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-51.1	175.2	178.1	-104.8	0	0	0	111.6	T130 I134 A262 A263 N270 E271	T130-Y266 HydrophobicContact CG2-CD2 3.63Å; T130-Y266 HydrophobicContact CG2-CE2 4.39Å; T130-Y266 HydrophobicContact CG2-CG 4.28Å; I134-Y266 HydrophobicContact CG2-CD1 3.55Å; I134-Y266 HydrophobicContact CG2-CD2 4.28Å; I134-Y266 HydrophobicContact CG2-CE1 3.89Å; I134-Y266 HydrophobicContact CG2-CG 3.77Å; A262-Y266 WeakPolarHBondContact O-CB 3.4Å; A262-Y266 PolarHBondContact O-N 3.35Å; A263-Y266 PolarHBondContact O-N 2.95Å; Y266-N270 WeakPolarHBondContact O-CA 3.35Å; Y266-N270 PolarHBondContact O-N 3.12Å; Y266-E271 HydrophobicContact CD2-CG 3.51Å; Y266-E271 WeakPolarHBondContact CD2-OE1 3.04Å; Y266-E271 HydrophobicContact CE2-CG 4.02Å; Y266-E271 WeakPolarHBondContact CE2-OE1 3.41Å
267	I	82.6	Confident	86.7	Confident	77 Å²	77	50.9 Å²	50.9	40%	0.395	28%	0.279	S	S	.	.	H	α-helix	trans	-77.2	-45.5	-176.1	-62.1	169.7	0	0	0	112.1	T139 A263	T139-I267 HydrophobicContact CG2-CD1 4.04Å; A263-I267 WeakPolarHBondContact O-CG1 3.44Å; A263-I267 PolarHBondContact O-N 3.4Å
268	G	79.4	Confident	86.6	Confident	40 Å²	40	55.1 Å²	55.1	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-85.6	-23.5	-171.2	0	0	0	0	0	114.5	L264	L264-G268 WeakPolarHBondContact O-CA 3.31Å; L264-G268 PolarHBondContact O-N 3.16Å
269	C	84.1	Confident	86.4	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.034	30%	0.301	C	S	.	.	H	α-helix	trans	-121	6.5	-176.7	-51.9	0	0	0	0	113.6	S265 E271 E272 C284	S265-C269 WeakPolarHBondContact O-CA 3.44Å; S265-C269 VanDerWaalsContact O-CB 3.26Å; S265-C269 WeakPolarHBondContact O-CB 3.46Å; S265-C269 PolarHBondContact O-N 2.93Å; S265-C269 VanDerWaalsContact O-N 3.14Å; C269-E271 PolarHBondContact O-N 3.4Å; C269-E271 VanDerWaalsContact O-N 3.09Å; C269-E272 WeakPolarHBondContact O-CB 3.25Å; C269-E272 PolarHBondContact O-N 2.94Å; C269-C284 WeakPolarHBondContact CA-SG 3.47Å; C269-C284 HydrophobicContact CB-CB 3.69Å; C269-C284 WeakPolarHBondContact CB-SG 3.26Å; C269-C284 WeakPolarHBondContact SG-CB 3.46Å; C269-C284 CovalentContact SG-SG 2.01Å; C269-C284 PolarHBondContact SG-SG 3.14Å
270	N	81.8	Confident	86	Confident	66 Å²	66	66 Å²	66	35%	0.353	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	36.5	-177.2	-87.3	-7.3	0	0	0	114	Y266 E272	Y266-N270 WeakPolarHBondContact O-CA 3.35Å; Y266-N270 PolarHBondContact O-N 3.12Å; N270-E272 PolarHBondContact O-N 3.25Å
271	E	78.3	Confident	85.6	Confident	84 Å²	84	65.5 Å²	65.5	39%	0.393	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	2.6	-175.3	-51.8	-179.1	159	0	0	116	T130 R135 Y266 C269 G273	T130-E271 HydrophobicContact CG2-CG 4.27Å; T130-E271 VanDerWaalsContact CG2-OE1 3.23Å; T130-E271 WeakPolarHBondContact CG2-OE1 3.26Å; R135-E271 IonicContact CZ-OE1 3.94Å; R135-E271 IonicContact CZ-OE2 3.81Å; R135-E271 IonicContact NE-OE1 2.79Å; R135-E271 IonicContact NH2-OE1 3.3Å; R135-E271 PolarHBondContact NH2-OE1 3.29Å; R135-E271 IonicContact NH2-OE2 3.7Å; R135-E271 PolarHBondContact NH2-OE2 2.69Å; Y266-E271 HydrophobicContact CD2-CG 3.51Å; Y266-E271 WeakPolarHBondContact CD2-OE1 3.04Å; Y266-E271 HydrophobicContact CE2-CG 4.02Å; Y266-E271 WeakPolarHBondContact CE2-OE1 3.41Å; C269-E271 PolarHBondContact O-N 3.4Å; C269-E271 VanDerWaalsContact O-N 3.09Å; E271-G273 PolarHBondContact O-N 2.76Å
272	E	85	Confident	85.4	Confident	36 Å²	36	64.8 Å²	64.8	17%	0.168	34%	0.343	C	S	.	.	S	Bend	trans	-79.9	-4.8	179.9	-61.9	174.3	178.2	0	0	112.7	K57 C269 N270 A287 Y290 C293	K57-E272 VanDerWaalsContact NZ-CD 3.33Å; K57-E272 IonicContact NZ-OE1 3.5Å; K57-E272 PolarHBondContact NZ-OE1 3.17Å; K57-E272 VanDerWaalsContact NZ-OE1 3.08Å; K57-E272 IonicContact NZ-OE2 3.24Å; K57-E272 PolarHBondContact NZ-OE2 2.95Å; C269-E272 WeakPolarHBondContact O-CB 3.25Å; C269-E272 PolarHBondContact O-N 2.94Å; N270-E272 PolarHBondContact O-N 3.25Å; E272-A287 WeakPolarHBondContact O-CB 3.09Å; E272-A287 PolarHBondContact O-N 2.88Å; E272-Y290 HydrophobicContact CB-CD2 4.27Å; E272-Y290 HydrophobicContact CB-CG 3.98Å; E272-Y290 HydrophobicContact CG-CD1 4.05Å; E272-Y290 HydrophobicContact CG-CD2 4.4Å; E272-Y290 HydrophobicContact CG-CE1 4.48Å; E272-Y290 HydrophobicContact CG-CG 4Å; E272-C293 HydrophobicContact CB-CB 3.68Å; E272-C293 WeakPolarHBondContact OE2-CA 3.42Å
273	G	86.8	Confident	85.3	Confident	13 Å²	13	67.6 Å²	67.6	13%	0.134	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-175.8	-177.2	0	0	0	0	0	114.3	E271 Q285	E271-G273 PolarHBondContact O-N 2.76Å; G273-Q285 CarbonylContact C-O 3.58Å; G273-Q285 WeakPolarHBondContact CA-O 3.46Å
274	Q	88.4	Confident	85.3	Confident	94 Å²	94	67.4 Å²	67.4	44%	0.439	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.8	176.7	-64	-177.6	3.5	0	0	110.9	L126 V276 C284 Q285	L126-Q274 HydrophobicContact CD1-CG 4.47Å; Q274-V276 PolarHBondContact O-N 2.96Å; Q274-C284 CarbonylContact O-C 3.57Å; Q274-C284 WeakPolarHBondContact O-CA 3.11Å; Q274-Q285 HydrophobicContact CB-CB 4.48Å; Q274-Q285 PolarHBondContact N-O 3.1Å; Q274-Q285 PolarHBondContact O-N 3.26Å
275	F	88.4	Confident	85.4	Confident	50 Å²	50	69.1 Å²	69.1	22%	0.219	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.1	177.9	-170.2	-101.1	0	0	0	111.1	L264 S265 C277 C282	L264-F275 HydrophobicContact CB-CB 4.19Å; L264-F275 HydrophobicContact CB-CD1 3.78Å; L264-F275 HydrophobicContact CB-CE1 4.37Å; L264-F275 HydrophobicContact CB-CG 4.08Å; L264-F275 HydrophobicContact CD1-CD1 4.11Å; L264-F275 HydrophobicContact CD1-CE1 4.22Å; L264-F275 HydrophobicContact CG-CD1 4.48Å; S265-F275 PolarHBondContact OG-N 3.26Å; F275-C277 WeakPolarHBondContact CE1-SG 3.48Å; F275-C282 HydrophobicContact CE1-CB 4.23Å; F275-C282 HydrophobicContact CE2-CB 4.06Å; F275-C282 HydrophobicContact CZ-CB 3.56Å
276	V	88.3	Confident	85.4	Confident	29 Å²	29	70.7 Å²	70.7	18%	0.176	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.2	-178	-177.7	0	0	0	0	109.6	Q274 R278 C282 W283 Q285	Q274-V276 PolarHBondContact O-N 2.96Å; V276-R278 HydrophobicContact CG1-CG 4.26Å; V276-C282 CarbonylContact O-C 3.57Å; V276-C282 WeakPolarHBondContact O-CA 3.43Å; V276-W283 HydrophobicContact CG1-CZ2 4.44Å; V276-W283 PolarHBondContact N-O 3.4Å; V276-W283 PolarHBondContact O-N 2.91Å; V276-W283 VanDerWaalsContact O-O 3.11Å; V276-Q285 HydrophobicContact CG2-CB 4.27Å
277	C	87.1	Confident	85.5	Confident	68 Å²	68	68.6 Å²	68.6	46%	0.459	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.4	171.5	-61.6	0	0	0	0	110.2	F275 D281 C282	F275-C277 WeakPolarHBondContact CE1-SG 3.48Å; C277-D281 CarbonylContact C-O 3.53Å; C277-D281 WeakPolarHBondContact CA-O 2.99Å; C277-C282 HydrophobicContact CB-CB 4.1Å; C277-C282 WeakPolarHBondContact CB-SG 3.42Å; C277-C282 WeakPolarHBondContact SG-CB 3.26Å; C277-C282 CovalentContact SG-SG 2.04Å; C277-C282 PolarHBondContact SG-SG 2.97Å
278	R	88	Confident	85.7	Confident	165 Å²	165	71.6 Å²	71.6	62%	0.623	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	134.7	169.3	-59.7	-171.8	-177.2	173.7	-0.8	109.1	V276 N280 D281 W283	V276-R278 HydrophobicContact CG1-CG 4.26Å; R278-N280 VanDerWaalsContact C-N 3.31Å; R278-N280 PolarHBondContact O-N 3.37Å; R278-D281 PolarHBondContact N-O 3.07Å; R278-D281 PolarHBondContact O-N 3.41Å; R278-D281 VanDerWaalsContact O-O 3.08Å; R278-W283 HydrophobicContact CB-CH2 3.8Å; R278-W283 HydrophobicContact CB-CZ3 4.03Å; R278-W283 HydrophobicContact CG-CH2 3.81Å; R278-W283 HydrophobicContact CG-CZ3 4.39Å
279	D	85.2	Confident	86.1	Confident	161 Å²	161	76 Å²	76	86%	0.861	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	45.5	174.8	-50.9	-43.1	0	0	0	114.2	D281	D279-D281 PolarHBondContact O-N 3.02Å; D279-D281 VanDerWaalsContact O-N 3.16Å
280	N	82.8	Confident	86.2	Confident	175 Å²	175	81.7 Å²	81.7	94%	0.936	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	9.6	-175	-62.2	-24	0	0	0	116.1	R278	R278-N280 VanDerWaalsContact C-N 3.31Å; R278-N280 PolarHBondContact O-N 3.37Å
281	D	81.6	Confident	86.3	Confident	47 Å²	47	81.5 Å²	81.5	25%	0.251	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.6	169.6	-161	27.6	0	0	0	108.6	C277 R278 D279 W283 K385 R386	C277-D281 CarbonylContact C-O 3.53Å; C277-D281 WeakPolarHBondContact CA-O 2.99Å; R278-D281 PolarHBondContact N-O 3.07Å; R278-D281 PolarHBondContact O-N 3.41Å; R278-D281 VanDerWaalsContact O-O 3.08Å; D279-D281 PolarHBondContact O-N 3.02Å; D279-D281 VanDerWaalsContact O-N 3.16Å; D281-W283 HydrophobicContact CB-CE3 4.32Å; D281-W283 HydrophobicContact CB-CZ3 4.17Å; D281-W283 VanDerWaalsContact O-CE3 3.26Å; D281-W283 WeakPolarHBondContact O-CZ3 3.36Å; D281-K385 VanDerWaalsContact CG-NZ 3.32Å; D281-K385 IonicContact OD1-NZ 3.08Å; D281-K385 PolarHBondContact OD1-NZ 2.98Å; D281-K385 IonicContact OD2-NZ 2.79Å; D281-K385 PolarHBondContact OD2-NZ 3.32Å; D281-R386 IonicContact OD2-CZ 2.77Å; D281-R386 IonicContact OD2-NE 3.76Å; D281-R386 IonicContact OD2-NH2 3.59Å; D281-R386 PolarHBondContact OD2-NH2 3.27Å
282	C	85.8	Confident	86.5	Confident	65 Å²	65	79.7 Å²	79.7	44%	0.439	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.6	178.6	-62.8	0	0	0	0	110.1	F275 V276 C277	F275-C282 HydrophobicContact CE1-CB 4.23Å; F275-C282 HydrophobicContact CE2-CB 4.06Å; F275-C282 HydrophobicContact CZ-CB 3.56Å; V276-C282 CarbonylContact O-C 3.57Å; V276-C282 WeakPolarHBondContact O-CA 3.43Å; C277-C282 HydrophobicContact CB-CB 4.1Å; C277-C282 WeakPolarHBondContact CB-SG 3.42Å; C277-C282 WeakPolarHBondContact SG-CB 3.26Å; C277-C282 CovalentContact SG-SG 2.04Å; C277-C282 PolarHBondContact SG-SG 2.97Å
283	W	86.8	Confident	86.5	Confident	58 Å²	58	78.2 Å²	78.2	22%	0.22	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	169.5	179.6	69.2	94.3	0	0	0	111.4	V276 R278 D281 R386	V276-W283 HydrophobicContact CG1-CZ2 4.44Å; V276-W283 PolarHBondContact N-O 3.4Å; V276-W283 PolarHBondContact O-N 2.91Å; V276-W283 VanDerWaalsContact O-O 3.11Å; R278-W283 HydrophobicContact CB-CH2 3.8Å; R278-W283 HydrophobicContact CB-CZ3 4.03Å; R278-W283 HydrophobicContact CG-CH2 3.81Å; R278-W283 HydrophobicContact CG-CZ3 4.39Å; D281-W283 HydrophobicContact CB-CE3 4.32Å; D281-W283 HydrophobicContact CB-CZ3 4.17Å; D281-W283 VanDerWaalsContact O-CE3 3.26Å; D281-W283 WeakPolarHBondContact O-CZ3 3.36Å; W283-R386 HydrophobicContact CB-CG 4.42Å
284	C	88.6	Confident	86.4	Confident	9 Å²	9	79.4 Å²	79.4	6%	0.061	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.1	175.9	-57.4	0	0	0	0	110.4	C269 Q274 C286 C293 N294	C269-C284 WeakPolarHBondContact CA-SG 3.47Å; C269-C284 HydrophobicContact CB-CB 3.69Å; C269-C284 WeakPolarHBondContact CB-SG 3.26Å; C269-C284 WeakPolarHBondContact SG-CB 3.46Å; C269-C284 CovalentContact SG-SG 2.01Å; C269-C284 PolarHBondContact SG-SG 3.14Å; Q274-C284 CarbonylContact O-C 3.57Å; Q274-C284 WeakPolarHBondContact O-CA 3.11Å; C284-C286 PolarHBondContact O-N 3.49Å; C284-C286 VanDerWaalsContact O-N 3.15Å; C284-C293 VanDerWaalsContact CB-SG 3.6Å; C284-N294 WeakPolarHBondContact CA-OD1 3.31Å; C284-N294 WeakPolarHBondContact CB-OD1 3.1Å; C284-N294 PolarHBondContact N-OD1 3.37Å; C284-N294 PolarHBondContact O-ND2 3.06Å; C284-N294 PolarHBondContact O-OD1 3.38Å
285	Q	89.9	Confident	86.2	Confident	117 Å²	117	75.1 Å²	75.1	55%	0.547	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	101.2	163.9	-176.5	174.2	1	0	0	108.1	G273 Q274 V276	G273-Q285 CarbonylContact C-O 3.58Å; G273-Q285 WeakPolarHBondContact CA-O 3.46Å; Q274-Q285 HydrophobicContact CB-CB 4.48Å; Q274-Q285 PolarHBondContact N-O 3.1Å; Q274-Q285 PolarHBondContact O-N 3.26Å; V276-Q285 HydrophobicContact CG2-CB 4.27Å
286	C	89	Confident	86.1	Confident	41 Å²	41	73 Å²	73	28%	0.277	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	141	-174.7	-59.8	0	0	0	0	113	C284 Y290 C293 N294	C284-C286 PolarHBondContact O-N 3.49Å; C284-C286 VanDerWaalsContact O-N 3.15Å; C286-Y290 VanDerWaalsContact CB-O 3.26Å; C286-Y290 WeakPolarHBondContact CB-O 3.44Å; C286-C293 WeakPolarHBondContact CA-SG 3.18Å; C286-C293 HydrophobicContact CB-CB 3.85Å; C286-C293 WeakPolarHBondContact CB-SG 3.49Å; C286-C293 WeakPolarHBondContact SG-CB 3.39Å; C286-C293 PolarHBondContact SG-N 3.38Å; C286-C293 CovalentContact SG-SG 2.03Å; C286-C293 PolarHBondContact SG-SG 3.2Å; C286-N294 PolarHBondContact SG-ND2 2.97Å
287	A	87.6	Confident	85.8	Confident	40 Å²	40	75.3 Å²	75.3	33%	0.331	40%	0.397	S	S	.	.			trans	-70	160.1	168.1	0	0	0	0	0	111	E272 D289 Y290	E272-A287 WeakPolarHBondContact O-CB 3.09Å; E272-A287 PolarHBondContact O-N 2.88Å; A287-D289 PolarHBondContact O-N 2.95Å; A287-Y290 HydrophobicContact CB-CD2 4.44Å; A287-Y290 CarbonylContact O-C 3.39Å; A287-Y290 VanDerWaalsContact O-C 3.3Å; A287-Y290 PolarHBondContact O-N 3.34Å
288	V	86.6	Confident	85.6	Confident	141 Å²	141	76.1 Å²	76.1	86%	0.855	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-34.4	179.8	-175.7	0	0	0	0	111.5	Y290	V288-Y290 VanDerWaalsContact C-N 3.25Å; V288-Y290 PolarHBondContact O-N 3.11Å
289	D	87.7	Confident	85.4	Confident	133 Å²	133	70.2 Å²	70.2	71%	0.711	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.1	179.1	-54.8	-36.2	0	0	0	112.8	A287	A287-D289 PolarHBondContact O-N 2.95Å
290	Y	86.2	Confident	85.3	Confident	124 Å²	124	63.3 Å²	63.3	49%	0.486	34%	0.343	S	S	.	.			trans	-132	63.2	-174.7	-59.2	-79.8	0	0	0	111.8	E272 C286 A287 V288 Q292 C293	E272-Y290 HydrophobicContact CB-CD2 4.27Å; E272-Y290 HydrophobicContact CB-CG 3.98Å; E272-Y290 HydrophobicContact CG-CD1 4.05Å; E272-Y290 HydrophobicContact CG-CD2 4.4Å; E272-Y290 HydrophobicContact CG-CE1 4.48Å; E272-Y290 HydrophobicContact CG-CG 4Å; C286-Y290 VanDerWaalsContact CB-O 3.26Å; C286-Y290 WeakPolarHBondContact CB-O 3.44Å; A287-Y290 HydrophobicContact CB-CD2 4.44Å; A287-Y290 CarbonylContact O-C 3.39Å; A287-Y290 VanDerWaalsContact O-C 3.3Å; A287-Y290 PolarHBondContact O-N 3.34Å; V288-Y290 VanDerWaalsContact C-N 3.25Å; V288-Y290 PolarHBondContact O-N 3.11Å; Y290-Q292 PolarHBondContact O-N 3.38Å; Y290-C293 WeakPolarHBondContact O-CB 3.22Å; Y290-C293 PolarHBondContact O-N 3.27Å; Y290-C293 VanDerWaalsContact O-N 3.11Å
291	P	83.5	Confident	85.5	Confident	61 Å²	61	62.8 Å²	62.8	40%	0.396	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.8	-173.4	25.9	-35.2	0	0	0	114.3
292	Q	82.9	Confident	85.6	Confident	46 Å²	46	62.6 Å²	62.6	22%	0.215	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	23.2	179.9	-58.5	-70	3.8	0	0	112.8	Y290 N294 C295 T389	Y290-Q292 PolarHBondContact O-N 3.38Å; Q292-N294 PolarHBondContact O-N 3.26Å; Q292-C295 HydrophobicContact CB-CB 4.21Å; Q292-C295 WeakPolarHBondContact O-CB 3.18Å; Q292-C295 PolarHBondContact O-N 3.34Å; Q292-C295 PolarHBondContact OE1-SG 3.14Å; Q292-T389 PolarHBondContact NE2-OG1 3.46Å; Q292-T389 PolarHBondContact OE1-OG1 2.84Å
293	C	84.6	Confident	85.7	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.034	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.9	-173.4	78.1	0	0	0	0	114.8	E272 C284 C286 Y290 C295	E272-C293 HydrophobicContact CB-CB 3.68Å; E272-C293 WeakPolarHBondContact OE2-CA 3.42Å; C284-C293 VanDerWaalsContact CB-SG 3.6Å; C286-C293 WeakPolarHBondContact CA-SG 3.18Å; C286-C293 HydrophobicContact CB-CB 3.85Å; C286-C293 WeakPolarHBondContact CB-SG 3.49Å; C286-C293 WeakPolarHBondContact SG-CB 3.39Å; C286-C293 PolarHBondContact SG-N 3.38Å; C286-C293 CovalentContact SG-SG 2.03Å; C286-C293 PolarHBondContact SG-SG 3.2Å; Y290-C293 WeakPolarHBondContact O-CB 3.22Å; Y290-C293 PolarHBondContact O-N 3.27Å; Y290-C293 VanDerWaalsContact O-N 3.11Å; C293-C295 VanDerWaalsContact C-N 3.34Å
294	N	84.8	Confident	85.7	Confident	39 Å²	39	60.5 Å²	60.5	21%	0.209	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.5	178.3	-65.7	-62	0	0	0	113.9	C284 C286 Q292 P296 R386	C284-N294 WeakPolarHBondContact CA-OD1 3.31Å; C284-N294 WeakPolarHBondContact CB-OD1 3.1Å; C284-N294 PolarHBondContact N-OD1 3.37Å; C284-N294 PolarHBondContact O-ND2 3.06Å; C284-N294 PolarHBondContact O-OD1 3.38Å; C286-N294 PolarHBondContact SG-ND2 2.97Å; Q292-N294 PolarHBondContact O-N 3.26Å; N294-P296 WeakPolarHBondContact O-CD 3.43Å; N294-R386 HydrophobicContact CB-CB 4.06Å
295	C	86	Confident	85.7	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.02	33%	0.33	C	S	.	.			trans	-100	118.9	-169.7	-61.4	0	0	0	0	112.1	Q292 C293 E297 C387	Q292-C295 HydrophobicContact CB-CB 4.21Å; Q292-C295 WeakPolarHBondContact O-CB 3.18Å; Q292-C295 PolarHBondContact O-N 3.34Å; Q292-C295 PolarHBondContact OE1-SG 3.14Å; C293-C295 VanDerWaalsContact C-N 3.34Å; C295-E297 PolarHBondContact O-N 3.17Å; C295-C387 WeakPolarHBondContact CA-SG 3.45Å; C295-C387 HydrophobicContact CB-CB 4.29Å; C295-C387 WeakPolarHBondContact CB-SG 3.37Å; C295-C387 WeakPolarHBondContact SG-CA 3.3Å; C295-C387 WeakPolarHBondContact SG-CB 3.49Å; C295-C387 CovalentContact SG-SG 2.03Å; C295-C387 PolarHBondContact SG-SG 3.28Å
296	P	84.6	Confident	85.6	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.039	31%	0.312	C	S	.	.			trans	-84	87.1	168.8	33.7	-31.7	0	0	0	109.3	E56 K57 N294 V298 D299 L300 L383	E56-P296 HydrophobicContact CB-CB 4.08Å; E56-P296 VanDerWaalsContact OE2-CA 3.29Å; E56-P296 WeakPolarHBondContact OE2-CA 3.49Å; K57-P296 HydrophobicContact CG-CB 4.23Å; N294-P296 WeakPolarHBondContact O-CD 3.43Å; P296-V298 PolarHBondContact O-N 3.26Å; P296-D299 HydrophobicContact CB-CB 4.04Å; P296-D299 HydrophobicContact CG-CB 4.38Å; P296-D299 PolarHBondContact O-N 2.84Å; P296-L300 WeakPolarHBondContact O-CB 3.16Å; P296-L300 VanDerWaalsContact O-CG 3.24Å; P296-L300 WeakPolarHBondContact O-CG 3.31Å; P296-L300 PolarHBondContact O-N 3.38Å; P296-L383 HydrophobicContact CG-CB 4.37Å; P296-L383 HydrophobicContact CG-CD2 4.21Å
297	E	82.8	Confident	85.6	Confident	77 Å²	77	55.8 Å²	55.8	36%	0.36	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-40.5	-176	-70.3	-163.5	-172.6	0	0	113.7	E56 C295 L300 R301	E56-E297 PolarHBondContact OE2-N 3.11Å; C295-E297 PolarHBondContact O-N 3.17Å; E297-L300 PolarHBondContact O-N 3.16Å; E297-R301 WeakPolarHBondContact O-CB 3.47Å; E297-R301 VanDerWaalsContact O-CG 3.24Å; E297-R301 WeakPolarHBondContact O-CG 3.46Å; E297-R301 PolarHBondContact O-N 2.94Å; E297-R301 IonicContact OE2-CZ 2.76Å; E297-R301 IonicContact OE2-NH2 3.31Å; E297-R301 PolarHBondContact OE2-NH2 2.78Å
298	V	82.6	Confident	85.7	Confident	85 Å²	85	57.7 Å²	57.7	52%	0.515	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-44.7	-179.8	178.4	0	0	0	0	110.1	E56 P296 R301 A302	E56-V298 VanDerWaalsContact CD-CG2 3.49Å; E56-V298 HydrophobicContact CG-CB 4.37Å; E56-V298 HydrophobicContact CG-CG2 4.34Å; E56-V298 WeakPolarHBondContact OE1-CG2 3.35Å; E56-V298 VanDerWaalsContact OE2-CB 3.3Å; E56-V298 WeakPolarHBondContact OE2-CB 3.38Å; E56-V298 PolarHBondContact OE2-N 3.43Å; P296-V298 PolarHBondContact O-N 3.26Å; V298-R301 PolarHBondContact O-N 3.29Å; V298-A302 WeakPolarHBondContact O-CB 3.4Å; V298-A302 PolarHBondContact O-N 2.63Å
299	D	83.2	Confident	85.8	Confident	41 Å²	41	56.7 Å²	56.7	22%	0.219	29%	0.293	C	S	.	.	H	α-helix	trans	-66.5	-42.3	177.8	-66.9	-41.2	0	0	0	111.3	S55 E56 P296 A302 M303	S55-D299 WeakPolarHBondContact CA-OD2 3.22Å; S55-D299 VanDerWaalsContact CB-OD2 3.3Å; S55-D299 WeakPolarHBondContact CB-OD2 3.14Å; E56-D299 PolarHBondContact N-OD2 3.29Å; P296-D299 HydrophobicContact CB-CB 4.04Å; P296-D299 HydrophobicContact CG-CB 4.38Å; P296-D299 PolarHBondContact O-N 2.84Å; D299-A302 PolarHBondContact O-N 3.19Å; D299-M303 HydrophobicContact CB-CE 3.94Å; D299-M303 WeakPolarHBondContact O-CE 3.47Å; D299-M303 PolarHBondContact O-N 3.33Å
300	L	84.3	Confident	85.9	Confident	17 Å²	17	50.9 Å²	50.9	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-47.8	175.7	-73.4	172.3	0	0	0	111.1	P296 E297 A302 M303 E304 I380 L383	P296-L300 WeakPolarHBondContact O-CB 3.16Å; P296-L300 VanDerWaalsContact O-CG 3.24Å; P296-L300 WeakPolarHBondContact O-CG 3.31Å; P296-L300 PolarHBondContact O-N 3.38Å; E297-L300 PolarHBondContact O-N 3.16Å; L300-A302 VanDerWaalsContact C-N 3.32Å; L300-A302 PolarHBondContact O-N 3.25Å; L300-M303 PolarHBondContact O-N 3.01Å; L300-E304 WeakPolarHBondContact O-CG 3.38Å; L300-E304 PolarHBondContact O-N 2.02Å; L300-I380 HydrophobicContact CD2-CG2 4.23Å; L300-L383 HydrophobicContact CD2-CB 4.05Å
301	R	85.6	Confident	86.1	Confident	163 Å²	163	49 Å²	49	62%	0.615	25%	0.254	S	S	*	.	H	α-helix	trans	-62.3	-37.6	176.4	-72.3	177.9	-160.3	-178.2	10.3	112.2	E297 V298 E304 G305	E297-R301 WeakPolarHBondContact O-CB 3.47Å; E297-R301 VanDerWaalsContact O-CG 3.24Å; E297-R301 WeakPolarHBondContact O-CG 3.46Å; E297-R301 PolarHBondContact O-N 2.94Å; E297-R301 IonicContact OE2-CZ 2.76Å; E297-R301 IonicContact OE2-NH2 3.31Å; E297-R301 PolarHBondContact OE2-NH2 2.78Å; V298-R301 PolarHBondContact O-N 3.29Å; R301-E304 PolarHBondContact O-N 3.06Å; R301-G305 PolarHBondContact O-N 2.84Å
302	A	85.6	Confident	86.4	Confident	43 Å²	43	49.9 Å²	49.9	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-39.5	176.1	0	0	0	0	0	112.2	V298 D299 L300 G305 S306	V298-A302 WeakPolarHBondContact O-CB 3.4Å; V298-A302 PolarHBondContact O-N 2.63Å; D299-A302 PolarHBondContact O-N 3.19Å; L300-A302 VanDerWaalsContact C-N 3.32Å; L300-A302 PolarHBondContact O-N 3.25Å; A302-G305 PolarHBondContact O-N 3.33Å; A302-S306 PolarHBondContact O-N 3.04Å; A302-S306 PolarHBondContact O-OG 3.13Å
303	M	86.8	Confident	86.8	Confident	26 Å²	26	50.1 Å²	50.1	13%	0.128	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-39.6	174.3	-85.4	176.7	-87.3	0	0	112.5	D299 L300 S306 L307 I376 K379 I380 L383	D299-M303 HydrophobicContact CB-CE 3.94Å; D299-M303 WeakPolarHBondContact O-CE 3.47Å; D299-M303 PolarHBondContact O-N 3.33Å; L300-M303 PolarHBondContact O-N 3.01Å; M303-S306 WeakPolarHBondContact O-CB 3.48Å; M303-S306 PolarHBondContact O-N 3.07Å; M303-L307 PolarHBondContact O-N 3.27Å; M303-I376 HydrophobicContact CB-CG2 4.05Å; M303-I376 HydrophobicContact CG-CG2 4.14Å; M303-K379 HydrophobicContact SD-CB 3.84Å; M303-I380 HydrophobicContact CB-CD1 3.93Å; M303-I380 HydrophobicContact CB-CG1 3.7Å; M303-I380 HydrophobicContact CG-CG1 4.43Å; M303-I380 HydrophobicContact SD-CG1 4.12Å; M303-L383 HydrophobicContact CE-CD1 3.04Å; M303-L383 HydrophobicContact SD-CD1 3.9Å
304	E	87.2	Confident	87.1	Confident	53 Å²	53	50.6 Å²	50.6	25%	0.248	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-44.4	171	-72.9	-178.6	164.1	0	0	111.1	L300 R301 S306 L307 L308 K392	L300-E304 WeakPolarHBondContact O-CG 3.38Å; L300-E304 PolarHBondContact O-N 2.02Å; R301-E304 PolarHBondContact O-N 3.06Å; E304-S306 VanDerWaalsContact C-N 3.3Å; E304-S306 PolarHBondContact O-N 3.5Å; E304-L307 WeakPolarHBondContact O-CB 3.43Å; E304-L307 PolarHBondContact O-N 3.09Å; E304-L307 VanDerWaalsContact O-N 3.12Å; E304-L308 PolarHBondContact O-N 3.04Å; E304-K392 PolarHBondContact OE1-N 3.36Å
305	G	88.6	Confident	87.3	Confident	27 Å²	27	51.5 Å²	51.5	28%	0.278	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-38.8	173	0	0	0	0	0	112.8	R301 A302 L307 L308 Q309	R301-G305 PolarHBondContact O-N 2.84Å; A302-G305 PolarHBondContact O-N 3.33Å; G305-L307 VanDerWaalsContact C-N 3.33Å; G305-L307 PolarHBondContact O-N 3.44Å; G305-L308 WeakPolarHBondContact O-CB 3.07Å; G305-L308 PolarHBondContact O-N 3.42Å; G305-Q309 WeakPolarHBondContact O-CG 3.33Å; G305-Q309 PolarHBondContact O-N 3.04Å
306	S	88.6	Confident	87.6	Confident	24 Å²	24	56.4 Å²	56.4	17%	0.168	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-35.5	174.7	-60.1	0	0	0	0	112.3	A302 M303 E304 Q309 I310	A302-S306 PolarHBondContact O-N 3.04Å; A302-S306 PolarHBondContact O-OG 3.13Å; M303-S306 WeakPolarHBondContact O-CB 3.48Å; M303-S306 PolarHBondContact O-N 3.07Å; E304-S306 VanDerWaalsContact C-N 3.3Å; E304-S306 PolarHBondContact O-N 3.5Å; S306-Q309 PolarHBondContact O-N 3.42Å; S306-I310 WeakPolarHBondContact O-CG1 3.39Å; S306-I310 PolarHBondContact O-N 2.89Å
307	L	89.1	Confident	87.9	Confident	18 Å²	18	57.6 Å²	57.6	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-38.9	172.9	-70.4	178.8	0	0	0	111.8	M303 E304 G305 I310 R311 A373 I376 I377 I380	M303-L307 PolarHBondContact O-N 3.27Å; E304-L307 WeakPolarHBondContact O-CB 3.43Å; E304-L307 PolarHBondContact O-N 3.09Å; E304-L307 VanDerWaalsContact O-N 3.12Å; G305-L307 VanDerWaalsContact C-N 3.33Å; G305-L307 PolarHBondContact O-N 3.44Å; L307-I310 PolarHBondContact O-N 3.32Å; L307-R311 PolarHBondContact O-N 3.32Å; L307-A373 HydrophobicContact CD2-CB 4.14Å; L307-I376 HydrophobicContact CD1-CG2 4.36Å; L307-I376 HydrophobicContact CD2-CB 3.99Å; L307-I376 HydrophobicContact CD2-CD1 4.48Å; L307-I376 HydrophobicContact CD2-CG2 3.8Å; L307-I376 HydrophobicContact CG-CG2 3.82Å; L307-I377 HydrophobicContact CD1-CG1 4.11Å; L307-I377 HydrophobicContact CD2-CG1 4.25Å; L307-I380 HydrophobicContact CD1-CD1 3.55Å; L307-I380 HydrophobicContact CG-CD1 4.36Å
308	L	88.5	Confident	88.3	Confident	80 Å²	80	54.1 Å²	54.1	42%	0.419	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-43.8	173	-67.5	173.1	0	0	0	111.4	E304 G305 I310 R311 D312	E304-L308 PolarHBondContact O-N 3.04Å; G305-L308 WeakPolarHBondContact O-CB 3.07Å; G305-L308 PolarHBondContact O-N 3.42Å; L308-I310 VanDerWaalsContact C-N 3.33Å; L308-I310 PolarHBondContact O-N 3.17Å; L308-R311 VanDerWaalsContact O-CB 3.31Å; L308-R311 WeakPolarHBondContact O-CB 3.41Å; L308-R311 PolarHBondContact O-N 2.87Å; L308-R311 VanDerWaalsContact O-N 3.13Å; L308-D312 PolarHBondContact O-N 2.87Å
309	Q	89.6	Confident	88.7	Confident	120 Å²	120	56 Å²	56	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-61.6	-39.9	174.9	-72.7	179	-3.6	0	0	112.6	G305 S306 R311 D312 S313	G305-Q309 WeakPolarHBondContact O-CG 3.33Å; G305-Q309 PolarHBondContact O-N 3.04Å; S306-Q309 PolarHBondContact O-N 3.42Å; Q309-R311 VanDerWaalsContact C-N 3.32Å; Q309-D312 PolarHBondContact O-N 2.89Å; Q309-S313 WeakPolarHBondContact O-CB 3.29Å; Q309-S313 PolarHBondContact O-N 3.44Å; Q309-S313 PolarHBondContact O-OG 2.75Å
310	I	90	Very high	89.2	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-40.4	174.7	-70.5	168.3	0	0	0	110.7	S306 L307 L308 S313 W314 L369 K372 A373 I376	S306-I310 WeakPolarHBondContact O-CG1 3.39Å; S306-I310 PolarHBondContact O-N 2.89Å; L307-I310 PolarHBondContact O-N 3.32Å; L308-I310 VanDerWaalsContact C-N 3.33Å; L308-I310 PolarHBondContact O-N 3.17Å; I310-S313 PolarHBondContact O-N 3.48Å; I310-W314 VanDerWaalsContact O-CB 3.31Å; I310-W314 WeakPolarHBondContact O-CB 3.3Å; I310-W314 PolarHBondContact O-N 3.07Å; I310-L369 HydrophobicContact CG2-CB 4.24Å; I310-L369 HydrophobicContact CG2-CD2 4.4Å; I310-K372 HydrophobicContact CD1-CB 4.32Å; I310-K372 HydrophobicContact CD1-CD 3.97Å; I310-K372 HydrophobicContact CD1-CG 3.94Å; I310-K372 HydrophobicContact CG1-CD 4.45Å; I310-A373 HydrophobicContact CD1-CB 4.36Å; I310-A373 HydrophobicContact CG2-CB 4.3Å; I310-I376 HydrophobicContact CD1-CD1 3.54Å
311	R	89.2	Confident	89.7	Confident	85 Å²	85	57.4 Å²	57.4	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-47.7	175.8	-179.5	-162.4	69.4	-177.8	-1.7	111.3	L307 L308 Q309 W314 N315 L396	L307-R311 PolarHBondContact O-N 3.32Å; L308-R311 VanDerWaalsContact O-CB 3.31Å; L308-R311 WeakPolarHBondContact O-CB 3.41Å; L308-R311 PolarHBondContact O-N 2.87Å; L308-R311 VanDerWaalsContact O-N 3.13Å; Q309-R311 VanDerWaalsContact C-N 3.32Å; R311-W314 WeakPolarHBondContact O-CB 3.45Å; R311-W314 PolarHBondContact O-N 3.41Å; R311-N315 PolarHBondContact O-N 3.08Å; R311-L396 HydrophobicContact CB-CD1 4.01Å; R311-L396 HydrophobicContact CG-CD1 3.47Å; R311-L396 VanDerWaalsContact CG-CD1 3.47Å; R311-L396 HydrophobicContact CG-CD2 4.26Å; R311-L396 HydrophobicContact CG-CG 3.8Å
312	D	89.8	Confident	89.9	Confident	79 Å²	79	52.2 Å²	52.2	42%	0.422	28%	0.279	S	S	.	.	H	α-helix	trans	-67.9	-39.6	-178.6	-58.4	-17.8	0	0	0	110.5	L308 Q309 W314 N315 M316	L308-D312 PolarHBondContact O-N 2.87Å; Q309-D312 PolarHBondContact O-N 2.89Å; D312-W314 VanDerWaalsContact C-N 3.33Å; D312-W314 PolarHBondContact O-N 2.81Å; D312-N315 PolarHBondContact O-N 3.28Å; D312-M316 WeakPolarHBondContact O-CB 3.46Å; D312-M316 PolarHBondContact O-N 2.82Å
313	S	91	Very high	90.2	Very high	50 Å²	50	53.8 Å²	53.8	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-39.2	172.5	-54.6	0	0	0	0	112.6	Q309 I310 A317	Q309-S313 WeakPolarHBondContact O-CB 3.29Å; Q309-S313 PolarHBondContact O-N 3.44Å; Q309-S313 PolarHBondContact O-OG 2.75Å; I310-S313 PolarHBondContact O-N 3.48Å; S313-A317 WeakPolarHBondContact O-CB 3.39Å; S313-A317 PolarHBondContact O-N 3Å
314	W	90.9	Very high	90.6	Very high	16 Å²	16	53 Å²	53	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-42.9	177.3	-170.1	-69	0	0	0	111.4	I310 R311 D312 A317 N318 T366 L369 A370 L396 E398	I310-W314 VanDerWaalsContact O-CB 3.31Å; I310-W314 WeakPolarHBondContact O-CB 3.3Å; I310-W314 PolarHBondContact O-N 3.07Å; R311-W314 WeakPolarHBondContact O-CB 3.45Å; R311-W314 PolarHBondContact O-N 3.41Å; D312-W314 VanDerWaalsContact C-N 3.33Å; D312-W314 PolarHBondContact O-N 2.81Å; W314-A317 PolarHBondContact O-N 3.44Å; W314-N318 PolarHBondContact NE1-ND2 3.46Å; W314-N318 PolarHBondContact O-N 3.44Å; W314-N318 PolarHBondContact O-ND2 3.04Å; W314-T366 HydrophobicContact CD2-CG2 4.18Å; W314-T366 HydrophobicContact CH2-CG2 4.11Å; W314-T366 WeakPolarHBondContact CH2-O 3.31Å; W314-T366 HydrophobicContact CZ2-CG2 3.72Å; W314-T366 HydrophobicContact CZ3-CG2 4.5Å; W314-T366 WeakPolarHBondContact CZ3-O 3.47Å; W314-L369 HydrophobicContact CB-CD1 4.39Å; W314-L369 HydrophobicContact CE3-CB 3.71Å; W314-L369 HydrophobicContact CE3-CD1 4.18Å; W314-L369 HydrophobicContact CZ3-CB 3.9Å; W314-A370 HydrophobicContact CH2-CB 4.06Å; W314-A370 HydrophobicContact CZ3-CB 3.85Å; W314-L396 HydrophobicContact CB-CD1 3.67Å; W314-L396 HydrophobicContact CG-CD1 3.74Å; W314-E398 HydrophobicContact CZ2-CB 4.16Å; W314-E398 HydrophobicContact CZ2-CG 4.19Å
315	N	89.9	Confident	90.9	Very high	57 Å²	57	57.8 Å²	57.8	31%	0.305	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-45.1	176.2	-73.2	-22.8	0	0	0	111.3	R311 D312 A317 N318 Q319	R311-N315 PolarHBondContact O-N 3.08Å; D312-N315 PolarHBondContact O-N 3.28Å; N315-A317 PolarHBondContact O-N 2.89Å; N315-N318 PolarHBondContact O-N 3.31Å; N315-Q319 WeakPolarHBondContact O-CG 3.42Å; N315-Q319 PolarHBondContact O-N 3.29Å
316	M	91.2	Very high	91.1	Very high	107 Å²	107	60 Å²	60	53%	0.527	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-44.9	177.2	-166.3	162.5	63.1	0	0	111.4	D312 N318 Q319 D320	D312-M316 WeakPolarHBondContact O-CB 3.46Å; D312-M316 PolarHBondContact O-N 2.82Å; M316-N318 VanDerWaalsContact C-N 3.29Å; M316-N318 PolarHBondContact O-N 2.81Å; M316-Q319 CarbonylContact O-C 3.52Å; M316-Q319 PolarHBondContact O-N 3.5Å; M316-Q319 VanDerWaalsContact O-N 3.09Å; M316-D320 WeakPolarHBondContact O-CB 3.33Å; M316-D320 PolarHBondContact O-N 3.14Å
317	A	91.7	Very high	91.4	Very high	30 Å²	30	58.9 Å²	58.9	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-36.5	176.1	0	0	0	0	0	113.5	S313 W314 N315 F321 L362	S313-A317 WeakPolarHBondContact O-CB 3.39Å; S313-A317 PolarHBondContact O-N 3Å; W314-A317 PolarHBondContact O-N 3.44Å; N315-A317 PolarHBondContact O-N 2.89Å; A317-F321 PolarHBondContact O-N 3.47Å; A317-F321 VanDerWaalsContact O-N 3.16Å; A317-L362 HydrophobicContact CB-CD1 4.04Å; A317-L362 WeakPolarHBondContact O-CD1 3.44Å
318	N	91.7	Very high	91.5	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-72.1	-38.1	174.9	-71.2	-68.8	0	0	0	112.2	W314 N315 M316 F321 E322 W404	W314-N318 PolarHBondContact NE1-ND2 3.46Å; W314-N318 PolarHBondContact O-N 3.44Å; W314-N318 PolarHBondContact O-ND2 3.04Å; N315-N318 PolarHBondContact O-N 3.31Å; M316-N318 VanDerWaalsContact C-N 3.29Å; M316-N318 PolarHBondContact O-N 2.81Å; N318-F321 PolarHBondContact O-N 3.31Å; N318-E322 WeakPolarHBondContact O-CB 3.38Å; N318-E322 PolarHBondContact O-N 3.12Å; N318-W404 HydrophobicContact CB-CH2 4.44Å; N318-W404 HydrophobicContact CB-CZ2 4.41Å
319	Q	91.4	Very high	91.7	Very high	123 Å²	123	60.6 Å²	60.6	58%	0.575	32%	0.315	S	S	*	.	H	α-helix	trans	-65.4	-41.4	174.8	-72.6	172.9	-12	0	0	111.3	N315 M316 F321 E322 A323	N315-Q319 WeakPolarHBondContact O-CG 3.42Å; N315-Q319 PolarHBondContact O-N 3.29Å; M316-Q319 CarbonylContact O-C 3.52Å; M316-Q319 PolarHBondContact O-N 3.5Å; M316-Q319 VanDerWaalsContact O-N 3.09Å; Q319-F321 VanDerWaalsContact C-N 3.25Å; Q319-F321 PolarHBondContact O-N 3.21Å; Q319-E322 PolarHBondContact O-N 2.91Å; Q319-A323 VanDerWaalsContact O-CB 3.31Å; Q319-A323 WeakPolarHBondContact O-CB 3.43Å; Q319-A323 PolarHBondContact O-N 2.95Å
320	D	93.1	Very high	91.9	Very high	86 Å²	86	55.3 Å²	55.3	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-26.5	176.3	-68	-14.3	0	0	0	112.9	M316 S324 R358	M316-D320 WeakPolarHBondContact O-CB 3.33Å; M316-D320 PolarHBondContact O-N 3.14Å; D320-S324 WeakPolarHBondContact O-CB 3.49Å; D320-S324 PolarHBondContact O-N 3.16Å; D320-R358 PolarHBondContact O-NH2 2.93Å
321	F	94.1	Very high	92	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-75.1	-45.6	171.4	176.9	-99.5	0	0	0	111	A317 N318 Q319 S324 F327 W349 I355 R358 Y359 L362 W404	A317-F321 PolarHBondContact O-N 3.47Å; A317-F321 VanDerWaalsContact O-N 3.16Å; N318-F321 PolarHBondContact O-N 3.31Å; Q319-F321 VanDerWaalsContact C-N 3.25Å; Q319-F321 PolarHBondContact O-N 3.21Å; F321-S324 VanDerWaalsContact O-CB 3.31Å; F321-S324 WeakPolarHBondContact O-CB 3.35Å; F321-S324 PolarHBondContact O-N 2.88Å; F321-S324 PolarHBondContact O-OG 2.94Å; F321-F327 HydrophobicContact CD1-CD2 4.29Å; F321-F327 AromaticContact CE1-CD2 3.55Å; F321-F327 HydrophobicContact CE1-CD2 3.55Å; F321-F327 AromaticContact CE1-CE2 3.98Å; F321-F327 HydrophobicContact CE1-CE2 3.98Å; F321-F327 HydrophobicContact CE1-CG 4.36Å; F321-F327 AromaticContact CZ-CD2 3.9Å; F321-F327 HydrophobicContact CZ-CD2 3.9Å; F321-F327 WeakPolarHBondContact O-CB 2.99Å; F321-W349 HydrophobicContact CE1-CH2 4.17Å; F321-W349 AromaticContact CZ-CH2 3.7Å; F321-W349 HydrophobicContact CZ-CH2 3.7Å; F321-W349 AromaticContact CZ-CZ2 3.99Å; F321-W349 HydrophobicContact CZ-CZ2 3.99Å; F321-I355 HydrophobicContact CE2-CD1 3.98Å; F321-I355 HydrophobicContact CZ-CD1 3.77Å; F321-R358 HydrophobicContact CD2-CG 3.81Å; F321-R358 HydrophobicContact CE2-CB 4.29Å; F321-R358 HydrophobicContact CE2-CG 3.84Å; F321-Y359 HydrophobicContact CE2-CD2 4.39Å; F321-Y359 HydrophobicContact CZ-CD2 4.07Å; F321-L362 HydrophobicContact CB-CD1 4.36Å; F321-L362 HydrophobicContact CB-CD2 3.91Å; F321-L362 HydrophobicContact CD1-CD2 4.02Å; F321-L362 HydrophobicContact CD2-CB 4.32Å; F321-L362 HydrophobicContact CD2-CD2 4.11Å; F321-L362 HydrophobicContact CG-CD2 3.73Å; F321-W404 HydrophobicContact CD1-CD2 4.31Å; F321-W404 HydrophobicContact CD1-CE3 4.12Å; F321-W404 AromaticContact CD1-CH2 3.55Å; F321-W404 HydrophobicContact CD1-CH2 3.55Å; F321-W404 AromaticContact CD1-CZ2 3.75Å; F321-W404 HydrophobicContact CD1-CZ2 3.75Å; F321-W404 AromaticContact CD1-CZ3 3.75Å; F321-W404 HydrophobicContact CD1-CZ3 3.75Å; F321-W404 AromaticContact CE1-CD2 3.98Å; F321-W404 HydrophobicContact CE1-CD2 3.98Å; F321-W404 AromaticContact CE1-CE3 3.91Å; F321-W404 HydrophobicContact CE1-CE3 3.91Å; F321-W404 HydrophobicContact CE1-CH2 4.18Å; F321-W404 HydrophobicContact CE1-CZ2 4.24Å; F321-W404 HydrophobicContact CE1-CZ3 4.01Å
322	E	91.3	Very high	91.9	Very high	54 Å²	54	60.7 Å²	60.7	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-40	178.7	-177.1	-179	166	0	0	112.7	N318 Q319 S324 F327 Q328 Y407	N318-E322 WeakPolarHBondContact O-CB 3.38Å; N318-E322 PolarHBondContact O-N 3.12Å; Q319-E322 PolarHBondContact O-N 2.91Å; E322-S324 PolarHBondContact O-N 3.17Å; E322-F327 HydrophobicContact CG-CE1 4.37Å; E322-F327 VanDerWaalsContact O-CD1 3.32Å; E322-F327 WeakPolarHBondContact O-CD1 3.4Å; E322-Q328 PolarHBondContact O-NE2 2.95Å; E322-Y407 HydrophobicContact CG-CE1 3.99Å; E322-Y407 PolarHBondContact OE1-OH 2.99Å; E322-Y407 PolarHBondContact OE2-OH 3.28Å
323	A	91.5	Very high	91.8	Very high	77 Å²	77	65 Å²	65	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.3	177.6	0	0	0	0	0	113.3	Q319	Q319-A323 VanDerWaalsContact O-CB 3.31Å; Q319-A323 WeakPolarHBondContact O-CB 3.43Å; Q319-A323 PolarHBondContact O-N 2.95Å
324	S	94.9	Very high	91.5	Very high	10 Å²	10	63 Å²	63	7%	0.07	31%	0.307	C	S	.	.	S	Bend	trans	-68.9	143.2	-176.5	106.6	0	0	0	0	111.2	D320 F321 E322 E326 F327 Q328	D320-S324 WeakPolarHBondContact O-CB 3.49Å; D320-S324 PolarHBondContact O-N 3.16Å; F321-S324 VanDerWaalsContact O-CB 3.31Å; F321-S324 WeakPolarHBondContact O-CB 3.35Å; F321-S324 PolarHBondContact O-N 2.88Å; F321-S324 PolarHBondContact O-OG 2.94Å; E322-S324 PolarHBondContact O-N 3.17Å; S324-E326 WeakPolarHBondContact CB-OE2 3.04Å; S324-E326 PolarHBondContact O-N 2.86Å; S324-E326 PolarHBondContact OG-OE2 3.43Å; S324-F327 PolarHBondContact O-N 3.47Å; S324-F327 PolarHBondContact OG-N 2.92Å; S324-Q328 WeakPolarHBondContact O-CG 3.41Å; S324-Q328 PolarHBondContact O-N 3.28Å
325	E	92.8	Very high	90.8	Very high	152 Å²	152	63.2 Å²	63.2	71%	0.71	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-34	179.6	-67.6	-172	176.7	0	0	111.5	N329	E325-N329 WeakPolarHBondContact O-CB 3.33Å; E325-N329 PolarHBondContact O-N 2.95Å; E325-N329 PolarHBondContact O-ND2 3.35Å
326	E	93.2	Very high	89.9	Confident	74 Å²	74	64.8 Å²	64.8	35%	0.346	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-43.6	177.3	-53.5	86	167.2	0	0	111.7	S324 F330 R358	S324-E326 WeakPolarHBondContact CB-OE2 3.04Å; S324-E326 PolarHBondContact O-N 2.86Å; S324-E326 PolarHBondContact OG-OE2 3.43Å; E326-F330 VanDerWaalsContact O-CB 3.26Å; E326-F330 WeakPolarHBondContact O-CB 3.36Å; E326-F330 PolarHBondContact O-N 3.24Å; E326-R358 HydrophobicContact CB-CB 4.44Å
327	F	94	Very high	88.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.3	-48.2	177.8	-178.2	-92.7	0	0	0	111.2	F321 E322 S324 N329 F330 V331 W349 I355 W404 Y407 I408 I411	F321-F327 HydrophobicContact CD1-CD2 4.29Å; F321-F327 AromaticContact CE1-CD2 3.55Å; F321-F327 HydrophobicContact CE1-CD2 3.55Å; F321-F327 AromaticContact CE1-CE2 3.98Å; F321-F327 HydrophobicContact CE1-CE2 3.98Å; F321-F327 HydrophobicContact CE1-CG 4.36Å; F321-F327 AromaticContact CZ-CD2 3.9Å; F321-F327 HydrophobicContact CZ-CD2 3.9Å; F321-F327 WeakPolarHBondContact O-CB 2.99Å; E322-F327 HydrophobicContact CG-CE1 4.37Å; E322-F327 VanDerWaalsContact O-CD1 3.32Å; E322-F327 WeakPolarHBondContact O-CD1 3.4Å; S324-F327 PolarHBondContact O-N 3.47Å; S324-F327 PolarHBondContact OG-N 2.92Å; F327-N329 PolarHBondContact O-N 3.49Å; F327-F330 WeakPolarHBondContact O-CB 3.3Å; F327-F330 PolarHBondContact O-N 2.95Å; F327-V331 HydrophobicContact CD1-CG2 4.29Å; F327-V331 HydrophobicContact CE1-CG2 3.87Å; F327-V331 HydrophobicContact CZ-CG2 3.98Å; F327-V331 WeakPolarHBondContact O-CG2 3.41Å; F327-V331 PolarHBondContact O-N 2.97Å; F327-W349 HydrophobicContact CD2-CH2 4.32Å; F327-W349 HydrophobicContact CD2-CZ3 4.39Å; F327-W349 HydrophobicContact CE2-CH2 4.35Å; F327-W349 HydrophobicContact CE2-CZ3 4.24Å; F327-I355 HydrophobicContact CB-CD1 3.97Å; F327-I355 HydrophobicContact CD2-CD1 4.08Å; F327-W404 HydrophobicContact CE2-CE3 4.23Å; F327-Y407 HydrophobicContact CZ-CD1 4.1Å; F327-Y407 HydrophobicContact CZ-CE1 4.44Å; F327-I408 HydrophobicContact CE2-CD1 4.12Å; F327-I408 HydrophobicContact CE2-CG1 3.98Å; F327-I408 HydrophobicContact CZ-CD1 4.49Å; F327-I408 HydrophobicContact CZ-CG1 3.86Å; F327-I411 HydrophobicContact CE1-CD1 4.02Å; F327-I411 HydrophobicContact CZ-CD1 4.17Å
328	Q	92.5	Very high	87	Confident	68 Å²	68	68.9 Å²	68.9	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-41.4	179.9	-66.5	-63.4	-31.4	0	0	112.1	E322 S324 V331 R332	E322-Q328 PolarHBondContact O-NE2 2.95Å; S324-Q328 WeakPolarHBondContact O-CG 3.41Å; S324-Q328 PolarHBondContact O-N 3.28Å; Q328-V331 PolarHBondContact O-N 3.33Å; Q328-R332 WeakPolarHBondContact O-CB 3.37Å; Q328-R332 VanDerWaalsContact O-CG 3.3Å; Q328-R332 WeakPolarHBondContact O-CG 3.11Å; Q328-R332 PolarHBondContact O-N 3.37Å
329	N	91.9	Very high	86	Confident	66 Å²	66	69.3 Å²	69.3	35%	0.353	33%	0.334	S	S	.	.	H	α-helix	trans	-68.1	-37.3	176.1	-71.9	-29	0	0	0	112.1	E325 F327 R332 R333	E325-N329 WeakPolarHBondContact O-CB 3.33Å; E325-N329 PolarHBondContact O-N 2.95Å; E325-N329 PolarHBondContact O-ND2 3.35Å; F327-N329 PolarHBondContact O-N 3.49Å; N329-R332 PolarHBondContact O-N 2.94Å; N329-R333 WeakPolarHBondContact O-CB 3.47Å; N329-R333 VanDerWaalsContact O-CG 3.28Å; N329-R333 WeakPolarHBondContact O-CG 3.24Å; N329-R333 PolarHBondContact O-N 3.42Å
330	F	94.2	Very high	85.5	Confident	10 Å²	10	63.6 Å²	63.6	4%	0.044	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-51	173.6	174.9	-100.2	0	0	0	110.9	E326 F327 R332 R333 L334 I345 F348 W349 E352 I355 I408	E326-F330 VanDerWaalsContact O-CB 3.26Å; E326-F330 WeakPolarHBondContact O-CB 3.36Å; E326-F330 PolarHBondContact O-N 3.24Å; F327-F330 WeakPolarHBondContact O-CB 3.3Å; F327-F330 PolarHBondContact O-N 2.95Å; F330-R332 VanDerWaalsContact C-N 3.34Å; F330-R332 PolarHBondContact O-N 3.41Å; F330-R333 PolarHBondContact O-N 3.45Å; F330-R333 VanDerWaalsContact O-N 3.17Å; F330-L334 HydrophobicContact CD1-CD1 4.48Å; F330-L334 HydrophobicContact CE1-CD1 3.98Å; F330-L334 HydrophobicContact CE1-CD2 4.2Å; F330-L334 HydrophobicContact CE1-CG 4.29Å; F330-L334 HydrophobicContact CE2-CD2 4.32Å; F330-L334 HydrophobicContact CZ-CD1 4.47Å; F330-L334 HydrophobicContact CZ-CD2 3.86Å; F330-L334 HydrophobicContact CZ-CG 4.41Å; F330-L334 PolarHBondContact O-N 3.41Å; F330-I345 HydrophobicContact CE1-CG2 4.23Å; F330-I345 HydrophobicContact CZ-CG2 4.36Å; F330-F348 HydrophobicContact CE2-CB 4Å; F330-F348 HydrophobicContact CZ-CB 4.07Å; F330-W349 AromaticContact CD1-CE3 3.98Å; F330-W349 HydrophobicContact CD1-CE3 3.98Å; F330-W349 HydrophobicContact CD1-CZ3 4.18Å; F330-W349 AromaticContact CE1-CE3 3.51Å; F330-W349 HydrophobicContact CE1-CE3 3.51Å; F330-W349 HydrophobicContact CE1-CZ3 4.06Å; F330-W349 HydrophobicContact CE2-CB 4.35Å; F330-W349 HydrophobicContact CZ-CB 3.97Å; F330-W349 AromaticContact CZ-CE3 3.88Å; F330-W349 HydrophobicContact CZ-CE3 3.88Å; F330-E352 HydrophobicContact CD2-CB 4.27Å; F330-E352 HydrophobicContact CD2-CG 4.46Å; F330-I355 HydrophobicContact CB-CB 4.32Å; F330-I355 HydrophobicContact CB-CG1 4.33Å; F330-I355 HydrophobicContact CD2-CG2 3.87Å; F330-I355 HydrophobicContact CE2-CG2 4.31Å; F330-I355 HydrophobicContact CG-CB 4.41Å; F330-I355 HydrophobicContact CG-CG1 4.31Å; F330-I355 HydrophobicContact CG-CG2 4.21Å; F330-I408 HydrophobicContact CD1-CD1 4.27Å; F330-I408 HydrophobicContact CE1-CD1 3.85Å
331	V	91.5	Very high	85.1	Confident	13 Å²	13	62.8 Å²	62.8	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-43.4	178.9	176.3	0	0	0	0	111.3	F327 Q328 R333 L334 I408 I411 M412	F327-V331 HydrophobicContact CD1-CG2 4.29Å; F327-V331 HydrophobicContact CE1-CG2 3.87Å; F327-V331 HydrophobicContact CZ-CG2 3.98Å; F327-V331 WeakPolarHBondContact O-CG2 3.41Å; F327-V331 PolarHBondContact O-N 2.97Å; Q328-V331 PolarHBondContact O-N 3.33Å; V331-R333 VanDerWaalsContact C-N 3.3Å; V331-R333 PolarHBondContact O-N 2.91Å; V331-L334 WeakPolarHBondContact O-CB 3.31Å; V331-L334 PolarHBondContact O-N 3.1Å; V331-I408 HydrophobicContact CG2-CG1 4.22Å; V331-I408 HydrophobicContact CG2-CG2 4.36Å; V331-I411 HydrophobicContact CG1-CG2 4.03Å; V331-M412 HydrophobicContact CG1-SD 4.15Å
332	R	88.6	Confident	84.8	Confident	196 Å²	196	64.3 Å²	64.3	74%	0.74	31%	0.314	S	S	*	.	H	α-helix	trans	-65.1	-27.8	178	-73.4	175.2	-177.4	178.4	0.9	114.3	Q328 N329 F330	Q328-R332 WeakPolarHBondContact O-CB 3.37Å; Q328-R332 VanDerWaalsContact O-CG 3.3Å; Q328-R332 WeakPolarHBondContact O-CG 3.11Å; Q328-R332 PolarHBondContact O-N 3.37Å; N329-R332 PolarHBondContact O-N 2.94Å; F330-R332 VanDerWaalsContact C-N 3.34Å; F330-R332 PolarHBondContact O-N 3.41Å
333	R	87	Confident	84.7	Confident	169 Å²	169	64.8 Å²	64.8	64%	0.638	32%	0.324	S	S	*	.	H	α-helix	trans	-84.4	-10.1	179.1	-75.1	177.1	-179	179.6	3.8	113.3	N329 F330 V331 E352	N329-R333 WeakPolarHBondContact O-CB 3.47Å; N329-R333 VanDerWaalsContact O-CG 3.28Å; N329-R333 WeakPolarHBondContact O-CG 3.24Å; N329-R333 PolarHBondContact O-N 3.42Å; F330-R333 PolarHBondContact O-N 3.45Å; F330-R333 VanDerWaalsContact O-N 3.17Å; V331-R333 VanDerWaalsContact C-N 3.3Å; V331-R333 PolarHBondContact O-N 2.91Å; R333-E352 IonicContact NH1-OE1 3.25Å; R333-E352 PolarHBondContact NH1-OE1 3.36Å; R333-E352 VanDerWaalsContact NH1-OE1 3.11Å; R333-E352 IonicContact NH1-OE2 2.83Å
334	L	85.4	Confident	84.5	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.042	30%	0.301	C	S	.	.	S	Bend	trans	-66.2	142.1	-179.7	-74	173.7	0	0	0	111.1	F330 V331 T336 L340 F348 I408 M412	F330-L334 HydrophobicContact CD1-CD1 4.48Å; F330-L334 HydrophobicContact CE1-CD1 3.98Å; F330-L334 HydrophobicContact CE1-CD2 4.2Å; F330-L334 HydrophobicContact CE1-CG 4.29Å; F330-L334 HydrophobicContact CE2-CD2 4.32Å; F330-L334 HydrophobicContact CZ-CD1 4.47Å; F330-L334 HydrophobicContact CZ-CD2 3.86Å; F330-L334 HydrophobicContact CZ-CG 4.41Å; F330-L334 PolarHBondContact O-N 3.41Å; V331-L334 WeakPolarHBondContact O-CB 3.31Å; V331-L334 PolarHBondContact O-N 3.1Å; L334-T336 PolarHBondContact O-N 3.2Å; L334-L340 HydrophobicContact CB-CD1 3.94Å; L334-L340 HydrophobicContact CD1-CD1 4.42Å; L334-L340 HydrophobicContact CD2-CD1 4.23Å; L334-L340 HydrophobicContact CG-CD1 4.43Å; L334-F348 HydrophobicContact CD2-CB 3.87Å; L334-F348 HydrophobicContact CD2-CD2 3.94Å; L334-F348 HydrophobicContact CD2-CG 4.04Å; L334-I408 HydrophobicContact CD1-CG2 3.51Å; L334-M412 HydrophobicContact CB-CE 4.33Å
335	P	75.1	Confident	84.3	Confident	21 Å²	21	61.6 Å²	61.6	14%	0.136	30%	0.298	C	S	.	.			trans	-59.1	127.8	176.6	-25.9	35.2	0	0	0	112.7	F337 Y338 L340 F348	P335-F337 HydrophobicContact CB-CD1 4.04Å; P335-F337 HydrophobicContact CB-CE1 3.62Å; P335-F337 HydrophobicContact CB-CZ 4.11Å; P335-F337 HydrophobicContact CG-CE1 4.4Å; P335-Y338 HydrophobicContact CB-CD1 3.91Å; P335-Y338 HydrophobicContact CB-CE1 3.27Å; P335-Y338 HydrophobicContact CG-CE1 3.8Å; P335-L340 HydrophobicContact CB-CD2 4.43Å; P335-L340 HydrophobicContact CG-CD2 4.47Å; P335-F348 HydrophobicContact CG-CE1 4.48Å; P335-F348 HydrophobicContact CG-CE2 4.01Å; P335-F348 HydrophobicContact CG-CZ 3.79Å
336	T	71.4	Confident	84.3	Confident	90 Å²	90	57.7 Å²	57.7	55%	0.552	28%	0.28	S	S	*	.			trans	-101.2	-9.9	175.3	51.3	0	0	0	0	113.3	L334 Y338 M412 P444	L334-T336 PolarHBondContact O-N 3.2Å; T336-Y338 VanDerWaalsContact C-N 3.34Å; T336-Y338 PolarHBondContact O-N 3.46Å; T336-M412 HydrophobicContact CG2-CE 3.9Å; T336-P444 WeakPolarHBondContact O-CG 3.45Å
337	F	58.5	Low	84.2	Confident	158 Å²	158	61.4 Å²	61.4	69%	0.693	29%	0.292	S	S	*	.	S	Bend	trans	-82	-7	-174.9	60.4	-90.2	0	0	0	114.5	P335	P335-F337 HydrophobicContact CB-CD1 4.04Å; P335-F337 HydrophobicContact CB-CE1 3.62Å; P335-F337 HydrophobicContact CB-CZ 4.11Å; P335-F337 HydrophobicContact CG-CE1 4.4Å
338	Y	63.6	Low	84	Confident	65 Å²	65	64.2 Å²	64.2	26%	0.255	30%	0.304	S	S	.	.	S	Bend	trans	-147.1	155.4	173.7	67.3	-80	0	0	0	110.9	P335 T336 L340	P335-Y338 HydrophobicContact CB-CD1 3.91Å; P335-Y338 HydrophobicContact CB-CE1 3.27Å; P335-Y338 HydrophobicContact CG-CE1 3.8Å; T336-Y338 VanDerWaalsContact C-N 3.34Å; T336-Y338 PolarHBondContact O-N 3.46Å; Y338-L340 HydrophobicContact CD2-CD2 4.14Å; Y338-L340 HydrophobicContact CE1-CD2 4.39Å; Y338-L340 HydrophobicContact CE2-CD2 3.4Å; Y338-L340 VanDerWaalsContact CE2-CD2 3.4Å; Y338-L340 PolarHBondContact O-N 3.18Å
339	A	70	Confident	84.1	Confident	13 Å²	13	61.1 Å²	61.1	11%	0.107	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.7	125	176.1	0	0	0	0	0	111.2	I443 P444 T446	A339-I443 HydrophobicContact CB-CG2 4.36Å; A339-P444 WeakPolarHBondContact CB-O 3.16Å; A339-P444 PolarHBondContact N-O 3.16Å; A339-T446 HydrophobicContact CB-CG2 3.59Å
340	L	81.1	Confident	84	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.021	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-88.6	137.2	174.5	-62.6	175.6	0	0	0	109.4	L334 P335 Y338 A344 I345 F348 L409 Y413	L334-L340 HydrophobicContact CB-CD1 3.94Å; L334-L340 HydrophobicContact CD1-CD1 4.42Å; L334-L340 HydrophobicContact CD2-CD1 4.23Å; L334-L340 HydrophobicContact CG-CD1 4.43Å; P335-L340 HydrophobicContact CB-CD2 4.43Å; P335-L340 HydrophobicContact CG-CD2 4.47Å; Y338-L340 HydrophobicContact CD2-CD2 4.14Å; Y338-L340 HydrophobicContact CE1-CD2 4.39Å; Y338-L340 HydrophobicContact CE2-CD2 3.4Å; Y338-L340 VanDerWaalsContact CE2-CD2 3.4Å; Y338-L340 PolarHBondContact O-N 3.18Å; L340-A344 HydrophobicContact CD2-CB 4.11Å; L340-I345 HydrophobicContact CB-CD1 4.44Å; L340-I345 HydrophobicContact CB-CG1 4.14Å; L340-I345 HydrophobicContact CD1-CG1 4.29Å; L340-F348 HydrophobicContact CD2-CE2 4.06Å; L340-L409 VanDerWaalsContact O-CD2 3.26Å; L340-L409 WeakPolarHBondContact O-CD2 3.26Å; L340-Y413 PolarHBondContact N-OH 2.58Å
341	N	85.4	Confident	83.8	Confident	68 Å²	68	68.4 Å²	68.4	36%	0.364	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-97.9	167.3	169	63.7	14.9	0	0	0	109.9	S343 A344 I345 E425	N341-S343 PolarHBondContact ND2-OG 3.45Å; N341-S343 VanDerWaalsContact ND2-OG 3.13Å; N341-S343 PolarHBondContact O-N 3.44Å; N341-S343 PolarHBondContact OD1-N 3.35Å; N341-S343 PolarHBondContact OD1-OG 3Å; N341-A344 PolarHBondContact O-N 2.84Å; N341-A344 VanDerWaalsContact O-N 3.11Å; N341-A344 WeakPolarHBondContact OD1-CA 3.43Å; N341-A344 WeakPolarHBondContact OD1-CB 3.26Å; N341-A344 PolarHBondContact OD1-N 3.02Å; N341-I345 PolarHBondContact O-N 3.38Å; N341-E425 WeakPolarHBondContact CA-OE1 3.4Å; N341-E425 WeakPolarHBondContact CB-OE1 3.44Å
342	S	87.6	Confident	83.8	Confident	34 Å²	34	70.5 Å²	70.5	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-57	-35.2	179.3	51.6	0	0	0	0	112.4	Q346 E425	S342-Q346 WeakPolarHBondContact O-CB 3.3Å; S342-Q346 PolarHBondContact O-N 3.4Å; S342-E425 WeakPolarHBondContact CB-OE2 3.31Å; S342-E425 PolarHBondContact N-OE1 2.99Å; S342-E425 PolarHBondContact OG-OE2 3.42Å
343	S	88.3	Confident	83.9	Confident	65 Å²	65	65.5 Å²	65.5	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-68.3	-35.9	176.8	61	0	0	0	0	114.3	N341 Q346 Y347	N341-S343 PolarHBondContact ND2-OG 3.45Å; N341-S343 VanDerWaalsContact ND2-OG 3.13Å; N341-S343 PolarHBondContact O-N 3.44Å; N341-S343 PolarHBondContact OD1-N 3.35Å; N341-S343 PolarHBondContact OD1-OG 3Å; S343-Q346 WeakPolarHBondContact O-CB 3.1Å; S343-Q346 PolarHBondContact O-N 3.41Å; S343-Y347 PolarHBondContact O-N 3.24Å
344	A	87.3	Confident	84.1	Confident	20 Å²	20	59.6 Å²	59.6	17%	0.165	31%	0.312	C	S	.	.	H	α-helix	trans	-70.5	-42.9	178.6	0	0	0	0	0	110.3	L340 N341 Q346 Y347 F348	L340-A344 HydrophobicContact CD2-CB 4.11Å; N341-A344 PolarHBondContact O-N 2.84Å; N341-A344 VanDerWaalsContact O-N 3.11Å; N341-A344 WeakPolarHBondContact OD1-CA 3.43Å; N341-A344 WeakPolarHBondContact OD1-CB 3.26Å; N341-A344 PolarHBondContact OD1-N 3.02Å; A344-Q346 VanDerWaalsContact C-N 3.29Å; A344-Q346 PolarHBondContact O-N 3.04Å; A344-Y347 WeakPolarHBondContact O-CB 3.23Å; A344-Y347 PolarHBondContact O-N 2.99Å; A344-Y347 VanDerWaalsContact O-N 3.12Å; A344-F348 WeakPolarHBondContact O-CD2 3.4Å; A344-F348 PolarHBondContact O-N 2.99Å
345	I	91.3	Very high	84.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-42.7	173.4	-64.1	172.5	0	0	0	110.2	F330 L340 N341 Y347 F348 W349 L405 I408 L409	F330-I345 HydrophobicContact CE1-CG2 4.23Å; F330-I345 HydrophobicContact CZ-CG2 4.36Å; L340-I345 HydrophobicContact CB-CD1 4.44Å; L340-I345 HydrophobicContact CB-CG1 4.14Å; L340-I345 HydrophobicContact CD1-CG1 4.29Å; N341-I345 PolarHBondContact O-N 3.38Å; I345-Y347 VanDerWaalsContact C-N 3.28Å; I345-Y347 PolarHBondContact O-N 3.06Å; I345-F348 PolarHBondContact O-N 2.74Å; I345-W349 VanDerWaalsContact O-CB 3.31Å; I345-W349 WeakPolarHBondContact O-CB 3.25Å; I345-W349 PolarHBondContact O-N 3.21Å; I345-L405 HydrophobicContact CB-CD2 4.13Å; I345-L405 HydrophobicContact CG2-CD2 3.6Å; I345-I408 HydrophobicContact CD1-CB 4.35Å; I345-I408 HydrophobicContact CD1-CG2 3.9Å; I345-I408 HydrophobicContact CG2-CD1 3.94Å; I345-I408 HydrophobicContact CG2-CG2 4.3Å; I345-L409 HydrophobicContact CD1-CD1 4.42Å; I345-L409 HydrophobicContact CD1-CD2 3.37Å; I345-L409 HydrophobicContact CD1-CG 3.52Å
346	Q	92	Very high	85.3	Confident	70 Å²	70	62.7 Å²	62.7	33%	0.327	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-38.2	175.3	179.5	176.5	25.5	0	0	112.4	S342 S343 A344 K350 F401 L405	S342-Q346 WeakPolarHBondContact O-CB 3.3Å; S342-Q346 PolarHBondContact O-N 3.4Å; S343-Q346 WeakPolarHBondContact O-CB 3.1Å; S343-Q346 PolarHBondContact O-N 3.41Å; A344-Q346 VanDerWaalsContact C-N 3.29Å; A344-Q346 PolarHBondContact O-N 3.04Å; Q346-K350 WeakPolarHBondContact O-CG 3.18Å; Q346-K350 PolarHBondContact O-N 3.17Å; Q346-K350 VanDerWaalsContact O-N 3.14Å; Q346-F401 HydrophobicContact CB-CE1 4.26Å; Q346-F401 HydrophobicContact CG-CE1 3.81Å; Q346-F401 HydrophobicContact CG-CZ 4.24Å; Q346-L405 HydrophobicContact CB-CD1 4.23Å; Q346-L405 HydrophobicContact CB-CD2 4.31Å
347	Y	90.9	Very high	86.3	Confident	152 Å²	152	64.4 Å²	64.4	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-63	-51.1	174.3	174.1	-96.4	0	0	0	111.3	S343 A344 I345 W349 K350 T351	S343-Y347 PolarHBondContact O-N 3.24Å; A344-Y347 WeakPolarHBondContact O-CB 3.23Å; A344-Y347 PolarHBondContact O-N 2.99Å; A344-Y347 VanDerWaalsContact O-N 3.12Å; I345-Y347 VanDerWaalsContact C-N 3.28Å; I345-Y347 PolarHBondContact O-N 3.06Å; Y347-W349 VanDerWaalsContact C-N 3.29Å; Y347-W349 PolarHBondContact O-N 3.29Å; Y347-K350 PolarHBondContact O-N 3.06Å; Y347-K350 VanDerWaalsContact O-N 3.16Å; Y347-T351 PolarHBondContact O-N 3.48Å; Y347-T351 VanDerWaalsContact O-N 3.12Å; Y347-T351 PolarHBondContact O-OG1 3.4Å
348	F	90.4	Very high	87.9	Confident	59 Å²	59	60.4 Å²	60.4	26%	0.259	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-39.3	177.4	-71.4	-64.1	0	0	0	112.4	F330 L334 P335 L340 A344 I345 K350 T351 E352	F330-F348 HydrophobicContact CE2-CB 4Å; F330-F348 HydrophobicContact CZ-CB 4.07Å; L334-F348 HydrophobicContact CD2-CB 3.87Å; L334-F348 HydrophobicContact CD2-CD2 3.94Å; L334-F348 HydrophobicContact CD2-CG 4.04Å; P335-F348 HydrophobicContact CG-CE1 4.48Å; P335-F348 HydrophobicContact CG-CE2 4.01Å; P335-F348 HydrophobicContact CG-CZ 3.79Å; L340-F348 HydrophobicContact CD2-CE2 4.06Å; A344-F348 WeakPolarHBondContact O-CD2 3.4Å; A344-F348 PolarHBondContact O-N 2.99Å; I345-F348 PolarHBondContact O-N 2.74Å; F348-K350 VanDerWaalsContact C-N 3.3Å; F348-K350 PolarHBondContact O-N 3.44Å; F348-T351 PolarHBondContact O-N 2.96Å; F348-T351 VanDerWaalsContact O-N 3.16Å; F348-E352 PolarHBondContact O-N 3.5Å; F348-E352 VanDerWaalsContact O-N 3.11Å
349	W	93.6	Very high	89.4	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-36.8	177.1	-168.7	-69.9	0	0	0	112.8	F321 F327 F330 I345 Y347 I355 Y359 F401 I408	F321-W349 HydrophobicContact CE1-CH2 4.17Å; F321-W349 AromaticContact CZ-CH2 3.7Å; F321-W349 HydrophobicContact CZ-CH2 3.7Å; F321-W349 AromaticContact CZ-CZ2 3.99Å; F321-W349 HydrophobicContact CZ-CZ2 3.99Å; F327-W349 HydrophobicContact CD2-CH2 4.32Å; F327-W349 HydrophobicContact CD2-CZ3 4.39Å; F327-W349 HydrophobicContact CE2-CH2 4.35Å; F327-W349 HydrophobicContact CE2-CZ3 4.24Å; F330-W349 AromaticContact CD1-CE3 3.98Å; F330-W349 HydrophobicContact CD1-CE3 3.98Å; F330-W349 HydrophobicContact CD1-CZ3 4.18Å; F330-W349 AromaticContact CE1-CE3 3.51Å; F330-W349 HydrophobicContact CE1-CE3 3.51Å; F330-W349 HydrophobicContact CE1-CZ3 4.06Å; F330-W349 HydrophobicContact CE2-CB 4.35Å; F330-W349 HydrophobicContact CZ-CB 3.97Å; F330-W349 AromaticContact CZ-CE3 3.88Å; F330-W349 HydrophobicContact CZ-CE3 3.88Å; I345-W349 VanDerWaalsContact O-CB 3.31Å; I345-W349 WeakPolarHBondContact O-CB 3.25Å; I345-W349 PolarHBondContact O-N 3.21Å; Y347-W349 VanDerWaalsContact C-N 3.29Å; Y347-W349 PolarHBondContact O-N 3.29Å; W349-I355 HydrophobicContact CD2-CG1 3.99Å; W349-I355 HydrophobicContact CD2-CG2 4.13Å; W349-I355 HydrophobicContact CE3-CG1 3.98Å; W349-I355 HydrophobicContact CG-CG2 4.22Å; W349-I355 HydrophobicContact CH2-CD1 4.01Å; W349-I355 HydrophobicContact CH2-CG1 3.66Å; W349-I355 HydrophobicContact CZ2-CD1 4.21Å; W349-I355 HydrophobicContact CZ2-CG1 3.65Å; W349-I355 HydrophobicContact CZ3-CD1 4.4Å; W349-I355 HydrophobicContact CZ3-CG1 3.78Å; W349-Y359 HydrophobicContact CZ2-CD2 4.09Å; W349-Y359 AromaticContact CZ2-CG 3.9Å; W349-Y359 HydrophobicContact CZ2-CG 3.9Å; W349-F401 HydrophobicContact CB-CZ 4.5Å; W349-F401 AromaticContact CD1-CE2 3.95Å; W349-F401 HydrophobicContact CD2-CE2 4.02Å; W349-F401 HydrophobicContact CD2-CZ 4.38Å; W349-F401 AromaticContact CE2-CE2 3.76Å; W349-F401 HydrophobicContact CG-CE2 4.09Å; W349-F401 HydrophobicContact CG-CZ 4.11Å; W349-F401 HydrophobicContact CZ2-CE2 4.18Å; W349-F401 AromaticContact NE1-CE2 3.76Å; W349-I408 HydrophobicContact CE3-CD1 3.87Å; W349-I408 HydrophobicContact CZ3-CD1 3.44Å; W349-I408 VanDerWaalsContact CZ3-CD1 3.44Å
350	K	90.1	Very high	90.5	Very high	143 Å²	143	63.9 Å²	63.9	62%	0.622	32%	0.319	S	S	*	.	H	α-helix	trans	-74.1	-29.9	176.5	-75	177.9	179.5	178.1	0	112.5	Q346 Y347 F348	Q346-K350 WeakPolarHBondContact O-CG 3.18Å; Q346-K350 PolarHBondContact O-N 3.17Å; Q346-K350 VanDerWaalsContact O-N 3.14Å; Y347-K350 PolarHBondContact O-N 3.06Å; Y347-K350 VanDerWaalsContact O-N 3.16Å; F348-K350 VanDerWaalsContact C-N 3.3Å; F348-K350 PolarHBondContact O-N 3.44Å
351	T	90.8	Very high	91	Very high	87 Å²	87	68.5 Å²	68.5	53%	0.534	34%	0.341	S	S	.	.	H	α-helix	trans	-74.4	-30.6	179.7	-51.3	0	0	0	0	111.9	Y347 F348 P353	Y347-T351 PolarHBondContact O-N 3.48Å; Y347-T351 VanDerWaalsContact O-N 3.12Å; Y347-T351 PolarHBondContact O-OG1 3.4Å; F348-T351 PolarHBondContact O-N 2.96Å; F348-T351 VanDerWaalsContact O-N 3.16Å; T351-P353 WeakPolarHBondContact O-CD 3.46Å
352	E	91.1	Very high	91.3	Very high	56 Å²	56	66.1 Å²	66.1	26%	0.262	33%	0.328	S	S	.	.			trans	-94.2	109.8	179.6	-171	74.6	-157.2	0	0	111.3	F330 R333 F348 S354 I355	F330-E352 HydrophobicContact CD2-CB 4.27Å; F330-E352 HydrophobicContact CD2-CG 4.46Å; R333-E352 IonicContact NH1-OE1 3.25Å; R333-E352 PolarHBondContact NH1-OE1 3.36Å; R333-E352 VanDerWaalsContact NH1-OE1 3.11Å; R333-E352 IonicContact NH1-OE2 2.83Å; F348-E352 PolarHBondContact O-N 3.5Å; F348-E352 VanDerWaalsContact O-N 3.11Å; E352-S354 WeakPolarHBondContact CG-OG 3.5Å; E352-S354 PolarHBondContact O-N 2.9Å; E352-S354 PolarHBondContact OE1-OG 3.19Å; E352-I355 HydrophobicContact CB-CG2 3.99Å; E352-I355 HydrophobicContact CG-CG2 4.14Å; E352-I355 WeakPolarHBondContact O-CG2 3.27Å
353	P	90	Very high	91.5	Very high	92 Å²	92	67.9 Å²	67.9	60%	0.597	33%	0.333	S	S	*	.	H	α-helix	trans	-72.4	-27.5	-173.7	27.6	-34.5	0	0	0	113.8	T351 H356 Q357	T351-P353 WeakPolarHBondContact O-CD 3.46Å; P353-H356 PolarHBondContact O-N 2.03Å; P353-Q357 WeakPolarHBondContact O-CB 3.23Å; P353-Q357 PolarHBondContact O-N 3.37Å
354	S	92.1	Very high	91.7	Very high	45 Å²	45	69.1 Å²	69.1	32%	0.315	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-51.5	-176.7	56.4	0	0	0	0	111.8	E352 Q357 R358	E352-S354 WeakPolarHBondContact CG-OG 3.5Å; E352-S354 PolarHBondContact O-N 2.9Å; E352-S354 PolarHBondContact OE1-OG 3.19Å; S354-Q357 PolarHBondContact O-N 3.18Å; S354-R358 PolarHBondContact O-N 3.06Å
355	I	93.4	Very high	91.9	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-37.1	178.3	-170.2	55	0	0	0	112	F321 F327 F330 W349 E352 Q357 R358 Y359	F321-I355 HydrophobicContact CE2-CD1 3.98Å; F321-I355 HydrophobicContact CZ-CD1 3.77Å; F327-I355 HydrophobicContact CB-CD1 3.97Å; F327-I355 HydrophobicContact CD2-CD1 4.08Å; F330-I355 HydrophobicContact CB-CB 4.32Å; F330-I355 HydrophobicContact CB-CG1 4.33Å; F330-I355 HydrophobicContact CD2-CG2 3.87Å; F330-I355 HydrophobicContact CE2-CG2 4.31Å; F330-I355 HydrophobicContact CG-CB 4.41Å; F330-I355 HydrophobicContact CG-CG1 4.31Å; F330-I355 HydrophobicContact CG-CG2 4.21Å; W349-I355 HydrophobicContact CD2-CG1 3.99Å; W349-I355 HydrophobicContact CD2-CG2 4.13Å; W349-I355 HydrophobicContact CE3-CG1 3.98Å; W349-I355 HydrophobicContact CG-CG2 4.22Å; W349-I355 HydrophobicContact CH2-CD1 4.01Å; W349-I355 HydrophobicContact CH2-CG1 3.66Å; W349-I355 HydrophobicContact CZ2-CD1 4.21Å; W349-I355 HydrophobicContact CZ2-CG1 3.65Å; W349-I355 HydrophobicContact CZ3-CD1 4.4Å; W349-I355 HydrophobicContact CZ3-CG1 3.78Å; E352-I355 HydrophobicContact CB-CG2 3.99Å; E352-I355 HydrophobicContact CG-CG2 4.14Å; E352-I355 WeakPolarHBondContact O-CG2 3.27Å; I355-Q357 PolarHBondContact O-N 2.96Å; I355-R358 PolarHBondContact O-N 3.11Å; I355-Y359 WeakPolarHBondContact O-CB 3.43Å; I355-Y359 PolarHBondContact O-N 3.37Å
356	H	91.8	Very high	91.8	Very high	94 Å²	94	69.9 Å²	69.9	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-44.1	176.6	-172.8	76.2	0	0	0	111.7	P353 Y359 K360	P353-H356 PolarHBondContact O-N 2.03Å; H356-Y359 PolarHBondContact O-N 3.14Å; H356-K360 PolarHBondContact O-N 3.03Å
357	Q	92.5	Very high	91.7	Very high	126 Å²	126	71 Å²	71	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-65.6	-43.6	176.8	-174.6	175.8	-5.4	0	0	111.9	P353 S354 I355 Y359 K360 Q361	P353-Q357 WeakPolarHBondContact O-CB 3.23Å; P353-Q357 PolarHBondContact O-N 3.37Å; S354-Q357 PolarHBondContact O-N 3.18Å; I355-Q357 PolarHBondContact O-N 2.96Å; Q357-Y359 PolarHBondContact O-N 2.92Å; Q357-K360 PolarHBondContact O-N 3.21Å; Q357-Q361 PolarHBondContact O-N 2.63Å; Q357-Q361 VanDerWaalsContact O-N 3.13Å
358	R	93.6	Very high	91.7	Very high	74 Å²	74	70.2 Å²	70.2	28%	0.279	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-41.2	177.8	-175.2	61.2	179.7	168.8	-2.1	112	D320 F321 E326 S354 I355 Q361 L362	D320-R358 PolarHBondContact O-NH2 2.93Å; F321-R358 HydrophobicContact CD2-CG 3.81Å; F321-R358 HydrophobicContact CE2-CB 4.29Å; F321-R358 HydrophobicContact CE2-CG 3.84Å; E326-R358 HydrophobicContact CB-CB 4.44Å; S354-R358 PolarHBondContact O-N 3.06Å; I355-R358 PolarHBondContact O-N 3.11Å; R358-Q361 WeakPolarHBondContact O-CB 3.46Å; R358-Q361 PolarHBondContact O-N 3.41Å; R358-L362 PolarHBondContact O-N 2.65Å
359	Y	93.8	Very high	91.7	Very high	30 Å²	30	69.1 Å²	69.1	12%	0.118	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-39.9	175.5	180	-107.7	0	0	0	112.7	F321 W349 I355 H356 Q357 Q361 L362 E363 F401 W404	F321-Y359 HydrophobicContact CE2-CD2 4.39Å; F321-Y359 HydrophobicContact CZ-CD2 4.07Å; W349-Y359 HydrophobicContact CZ2-CD2 4.09Å; W349-Y359 AromaticContact CZ2-CG 3.9Å; W349-Y359 HydrophobicContact CZ2-CG 3.9Å; I355-Y359 WeakPolarHBondContact O-CB 3.43Å; I355-Y359 PolarHBondContact O-N 3.37Å; H356-Y359 PolarHBondContact O-N 3.14Å; Q357-Y359 PolarHBondContact O-N 2.92Å; Y359-Q361 VanDerWaalsContact C-N 3.26Å; Y359-Q361 PolarHBondContact O-N 3.49Å; Y359-L362 HydrophobicContact CD2-CD2 4.47Å; Y359-L362 WeakPolarHBondContact O-CB 3.39Å; Y359-L362 PolarHBondContact O-N 2.78Å; Y359-L362 VanDerWaalsContact O-N 3.11Å; Y359-E363 PolarHBondContact O-N 3.4Å; Y359-F401 HydrophobicContact CD1-CD2 4.43Å; Y359-F401 AromaticContact CE1-CD2 3.86Å; Y359-F401 HydrophobicContact CE1-CD2 3.86Å; Y359-F401 AromaticContact CZ-CD2 3.94Å; Y359-F401 WeakPolarHBondContact OH-CA 3.35Å; Y359-F401 PolarHBondContact OH-N 2.87Å; Y359-W404 AromaticContact CE2-CD1 3.65Å; Y359-W404 AromaticContact CE2-NE1 3.87Å
360	K	92.5	Very high	91.5	Very high	121 Å²	121	69.8 Å²	69.8	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-34.6	175.5	-168.4	175	-177.2	176.6	0	112.3	H356 Q357 E363 L364	H356-K360 PolarHBondContact O-N 3.03Å; Q357-K360 PolarHBondContact O-N 3.21Å; K360-E363 PolarHBondContact O-N 2.93Å; K360-L364 HydrophobicContact CG-CD1 4.49Å; K360-L364 VanDerWaalsContact O-CG 3.31Å; K360-L364 WeakPolarHBondContact O-CG 3.26Å; K360-L364 PolarHBondContact O-N 2.77Å
361	Q	92.3	Very high	91.5	Very high	100 Å²	100	65.2 Å²	65.2	47%	0.467	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-43.5	172.8	-68.3	174	-9	0	0	111.7	Q357 R358 Y359 L364 G365	Q357-Q361 PolarHBondContact O-N 2.63Å; Q357-Q361 VanDerWaalsContact O-N 3.13Å; R358-Q361 WeakPolarHBondContact O-CB 3.46Å; R358-Q361 PolarHBondContact O-N 3.41Å; Y359-Q361 VanDerWaalsContact C-N 3.26Å; Y359-Q361 PolarHBondContact O-N 3.49Å; Q361-L364 PolarHBondContact O-N 3.42Å; Q361-G365 PolarHBondContact O-N 3.49Å
362	L	92.9	Very high	91.5	Very high	18 Å²	18	66.7 Å²	66.7	9%	0.094	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-44.7	175.1	179	69	0	0	0	111.4	A317 F321 R358 Y359 G365 T366 W404	A317-L362 HydrophobicContact CB-CD1 4.04Å; A317-L362 WeakPolarHBondContact O-CD1 3.44Å; F321-L362 HydrophobicContact CB-CD1 4.36Å; F321-L362 HydrophobicContact CB-CD2 3.91Å; F321-L362 HydrophobicContact CD1-CD2 4.02Å; F321-L362 HydrophobicContact CD2-CB 4.32Å; F321-L362 HydrophobicContact CD2-CD2 4.11Å; F321-L362 HydrophobicContact CG-CD2 3.73Å; R358-L362 PolarHBondContact O-N 2.65Å; Y359-L362 HydrophobicContact CD2-CD2 4.47Å; Y359-L362 WeakPolarHBondContact O-CB 3.39Å; Y359-L362 PolarHBondContact O-N 2.78Å; Y359-L362 VanDerWaalsContact O-N 3.11Å; L362-G365 PolarHBondContact O-N 3.49Å; L362-T366 HydrophobicContact CD1-CG2 4.07Å; L362-T366 HydrophobicContact CG-CG2 4.32Å; L362-T366 WeakPolarHBondContact O-CB 3.41Å; L362-T366 WeakPolarHBondContact O-CG2 3.45Å; L362-T366 PolarHBondContact O-N 2.77Å; L362-T366 PolarHBondContact O-OG1 3.31Å; L362-W404 HydrophobicContact CD2-CZ2 3.95Å
363	E	91.7	Very high	91.4	Very high	72 Å²	72	64.2 Å²	64.2	34%	0.336	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-47.5	178.4	-172.8	-177.9	-155.5	0	0	111.5	Y359 K360 G365 T366 Q367	Y359-E363 PolarHBondContact O-N 3.4Å; K360-E363 PolarHBondContact O-N 2.93Å; E363-G365 PolarHBondContact O-N 2.91Å; E363-T366 WeakPolarHBondContact CA-OG1 3.42Å; E363-T366 PolarHBondContact O-N 2.96Å; E363-T366 PolarHBondContact O-OG1 3.11Å; E363-Q367 WeakPolarHBondContact O-CB 3.39Å; E363-Q367 VanDerWaalsContact O-CG 3.23Å; E363-Q367 WeakPolarHBondContact O-CG 3.43Å; E363-Q367 PolarHBondContact O-N 3.34Å
364	L	91.6	Very high	91.4	Very high	90 Å²	90	67.7 Å²	67.7	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176.9	-70.4	170.3	0	0	0	112	K360 Q361 Q368	K360-L364 HydrophobicContact CG-CD1 4.49Å; K360-L364 VanDerWaalsContact O-CG 3.31Å; K360-L364 WeakPolarHBondContact O-CG 3.26Å; K360-L364 PolarHBondContact O-N 2.77Å; Q361-L364 PolarHBondContact O-N 3.42Å; L364-Q368 VanDerWaalsContact O-CG 3.31Å; L364-Q368 WeakPolarHBondContact O-CG 3.42Å; L364-Q368 PolarHBondContact O-N 3.44Å; L364-Q368 VanDerWaalsContact O-N 3.09Å
365	G	91.4	Very high	91.2	Very high	28 Å²	28	73.9 Å²	73.9	29%	0.289	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-45.4	177.7	0	0	0	0	0	112.7	Q361 L362 E363 Q368 L369	Q361-G365 PolarHBondContact O-N 3.49Å; L362-G365 PolarHBondContact O-N 3.49Å; E363-G365 PolarHBondContact O-N 2.91Å; G365-Q368 PolarHBondContact O-N 2.9Å; G365-L369 WeakPolarHBondContact O-CG 3.47Å; G365-L369 PolarHBondContact O-N 3.19Å
366	T	90.2	Very high	91	Very high	9 Å²	9	74.9 Å²	74.9	6%	0.055	35%	0.348	C	S	.	.	H	α-helix	trans	-66.3	-40.2	177.8	49.1	0	0	0	0	112	W314 L362 E363 Q368 L369 A370	W314-T366 HydrophobicContact CD2-CG2 4.18Å; W314-T366 HydrophobicContact CH2-CG2 4.11Å; W314-T366 WeakPolarHBondContact CH2-O 3.31Å; W314-T366 HydrophobicContact CZ2-CG2 3.72Å; W314-T366 HydrophobicContact CZ3-CG2 4.5Å; W314-T366 WeakPolarHBondContact CZ3-O 3.47Å; L362-T366 HydrophobicContact CD1-CG2 4.07Å; L362-T366 HydrophobicContact CG-CG2 4.32Å; L362-T366 WeakPolarHBondContact O-CB 3.41Å; L362-T366 WeakPolarHBondContact O-CG2 3.45Å; L362-T366 PolarHBondContact O-N 2.77Å; L362-T366 PolarHBondContact O-OG1 3.31Å; E363-T366 WeakPolarHBondContact CA-OG1 3.42Å; E363-T366 PolarHBondContact O-N 2.96Å; E363-T366 PolarHBondContact O-OG1 3.11Å; T366-Q368 VanDerWaalsContact C-N 3.34Å; T366-Q368 PolarHBondContact O-N 2.85Å; T366-L369 PolarHBondContact O-N 2.62Å; T366-A370 WeakPolarHBondContact O-CB 3.26Å; T366-A370 PolarHBondContact O-N 2.84Å
367	Q	90.1	Very high	90.8	Very high	93 Å²	93	71.2 Å²	71.2	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-41.7	173.1	-74.7	176.8	8.7	0	0	112.4	E363 A370 S371	E363-Q367 WeakPolarHBondContact O-CB 3.39Å; E363-Q367 VanDerWaalsContact O-CG 3.23Å; E363-Q367 WeakPolarHBondContact O-CG 3.43Å; E363-Q367 PolarHBondContact O-N 3.34Å; Q367-A370 PolarHBondContact O-N 3.03Å; Q367-S371 WeakPolarHBondContact O-CB 3.38Å; Q367-S371 PolarHBondContact O-N 3.44Å
368	Q	90.8	Very high	90.6	Very high	136 Å²	136	70.1 Å²	70.1	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-62.3	-47.6	175.2	-73.5	176.1	3.2	0	0	111.5	L364 G365 T366 A370 S371 K372	L364-Q368 VanDerWaalsContact O-CG 3.31Å; L364-Q368 WeakPolarHBondContact O-CG 3.42Å; L364-Q368 PolarHBondContact O-N 3.44Å; L364-Q368 VanDerWaalsContact O-N 3.09Å; G365-Q368 PolarHBondContact O-N 2.9Å; T366-Q368 VanDerWaalsContact C-N 3.34Å; T366-Q368 PolarHBondContact O-N 2.85Å; Q368-A370 VanDerWaalsContact C-N 3.34Å; Q368-A370 PolarHBondContact O-N 3.04Å; Q368-S371 PolarHBondContact O-N 3.09Å; Q368-S371 PolarHBondContact O-OG 3.31Å; Q368-K372 PolarHBondContact O-N 3.46Å
369	L	90.3	Very high	90.2	Very high	36 Å²	36	70.7 Å²	70.7	19%	0.188	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-41.5	176.6	-69.6	175.5	0	0	0	112	I310 W314 G365 T366 K372 A373	I310-L369 HydrophobicContact CG2-CB 4.24Å; I310-L369 HydrophobicContact CG2-CD2 4.4Å; W314-L369 HydrophobicContact CB-CD1 4.39Å; W314-L369 HydrophobicContact CE3-CB 3.71Å; W314-L369 HydrophobicContact CE3-CD1 4.18Å; W314-L369 HydrophobicContact CZ3-CB 3.9Å; G365-L369 WeakPolarHBondContact O-CG 3.47Å; G365-L369 PolarHBondContact O-N 3.19Å; T366-L369 PolarHBondContact O-N 2.62Å; L369-K372 PolarHBondContact O-N 3.05Å; L369-A373 WeakPolarHBondContact O-CB 3.45Å; L369-A373 PolarHBondContact O-N 3.37Å
370	A	89.1	Confident	89.8	Confident	15 Å²	15	69.3 Å²	69.3	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-42.6	177.4	0	0	0	0	0	111.4	W314 T366 Q367 Q368 K372 A373 R374	W314-A370 HydrophobicContact CH2-CB 4.06Å; W314-A370 HydrophobicContact CZ3-CB 3.85Å; T366-A370 WeakPolarHBondContact O-CB 3.26Å; T366-A370 PolarHBondContact O-N 2.84Å; Q367-A370 PolarHBondContact O-N 3.03Å; Q368-A370 VanDerWaalsContact C-N 3.34Å; Q368-A370 PolarHBondContact O-N 3.04Å; A370-K372 VanDerWaalsContact C-N 3.32Å; A370-K372 PolarHBondContact O-N 3.22Å; A370-A373 PolarHBondContact O-N 3Å; A370-R374 WeakPolarHBondContact O-CG 3.28Å; A370-R374 PolarHBondContact O-N 3.49Å
371	S	89.8	Confident	89.5	Confident	47 Å²	47	69 Å²	69	33%	0.329	33%	0.328	S	S	.	.	H	α-helix	trans	-62.9	-39.8	176.3	80.4	0	0	0	0	111.8	Q367 Q368 R375	Q367-S371 WeakPolarHBondContact O-CB 3.38Å; Q367-S371 PolarHBondContact O-N 3.44Å; Q368-S371 PolarHBondContact O-N 3.09Å; Q368-S371 PolarHBondContact O-OG 3.31Å; S371-R375 WeakPolarHBondContact O-CG 3.42Å; S371-R375 PolarHBondContact O-N 3.45Å; S371-R375 VanDerWaalsContact O-N 3.11Å
372	K	90.5	Very high	89.1	Confident	119 Å²	119	69.4 Å²	69.4	52%	0.517	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-45.4	176	-170.9	-178.5	178.4	-175.3	0	111.1	I310 Q368 L369 A370 R375 I376	I310-K372 HydrophobicContact CD1-CB 4.32Å; I310-K372 HydrophobicContact CD1-CD 3.97Å; I310-K372 HydrophobicContact CD1-CG 3.94Å; I310-K372 HydrophobicContact CG1-CD 4.45Å; Q368-K372 PolarHBondContact O-N 3.46Å; L369-K372 PolarHBondContact O-N 3.05Å; A370-K372 VanDerWaalsContact C-N 3.32Å; A370-K372 PolarHBondContact O-N 3.22Å; K372-R375 PolarHBondContact O-N 3.32Å; K372-I376 HydrophobicContact CG-CD1 4.25Å; K372-I376 WeakPolarHBondContact O-CG1 3.03Å; K372-I376 PolarHBondContact O-N 2.51Å
373	A	89.6	Confident	88.5	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.033	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-46.2	176.3	0	0	0	0	0	111.8	L307 I310 L369 A370 R375 I376 I377 M395	L307-A373 HydrophobicContact CD2-CB 4.14Å; I310-A373 HydrophobicContact CD1-CB 4.36Å; I310-A373 HydrophobicContact CG2-CB 4.3Å; L369-A373 WeakPolarHBondContact O-CB 3.45Å; L369-A373 PolarHBondContact O-N 3.37Å; A370-A373 PolarHBondContact O-N 3Å; A373-R375 VanDerWaalsContact C-N 3.32Å; A373-R375 PolarHBondContact O-N 3.29Å; A373-I376 PolarHBondContact O-N 3.13Å; A373-I376 VanDerWaalsContact O-N 3.15Å; A373-I377 WeakPolarHBondContact O-CB 3.42Å; A373-I377 WeakPolarHBondContact O-CG1 3.49Å; A373-I377 PolarHBondContact O-N 2.96Å; A373-M395 HydrophobicContact CB-CE 3.88Å; A373-M395 HydrophobicContact CB-SD 3.94Å
374	R	88.9	Confident	88.2	Confident	164 Å²	164	68.8 Å²	68.8	62%	0.619	34%	0.337	S	S	*	.	H	α-helix	trans	-57.8	-42.2	175.7	-74.8	177.8	-171.7	166	5.5	112.3	A370 I377 N378	A370-R374 WeakPolarHBondContact O-CG 3.28Å; A370-R374 PolarHBondContact O-N 3.49Å; R374-I377 PolarHBondContact O-N 3.48Å; R374-N378 VanDerWaalsContact O-CG 3.25Å; R374-N378 PolarHBondContact O-N 3.17Å
375	R	89.4	Confident	87.8	Confident	176 Å²	176	70.5 Å²	70.5	66%	0.664	34%	0.341	S	S	*	.	H	α-helix	trans	-62.3	-43.4	175.9	-70.9	174	-169.6	171.3	4.7	111.9	S371 K372 A373 N378 K379	S371-R375 WeakPolarHBondContact O-CG 3.42Å; S371-R375 PolarHBondContact O-N 3.45Å; S371-R375 VanDerWaalsContact O-N 3.11Å; K372-R375 PolarHBondContact O-N 3.32Å; A373-R375 VanDerWaalsContact C-N 3.32Å; A373-R375 PolarHBondContact O-N 3.29Å; R375-N378 PolarHBondContact O-N 3.42Å; R375-K379 WeakPolarHBondContact O-CG 3.35Å; R375-K379 PolarHBondContact O-N 3.24Å; R375-K379 VanDerWaalsContact O-N 3.12Å
376	I	87.9	Confident	87.2	Confident	21 Å²	21	74.7 Å²	74.7	11%	0.108	35%	0.348	C	S	.	.	H	α-helix	trans	-65.9	-43.7	178	-66.7	165.9	0	0	0	110.6	M303 L307 I310 K372 A373 N378 K379 I380	M303-I376 HydrophobicContact CB-CG2 4.05Å; M303-I376 HydrophobicContact CG-CG2 4.14Å; L307-I376 HydrophobicContact CD1-CG2 4.36Å; L307-I376 HydrophobicContact CD2-CB 3.99Å; L307-I376 HydrophobicContact CD2-CD1 4.48Å; L307-I376 HydrophobicContact CD2-CG2 3.8Å; L307-I376 HydrophobicContact CG-CG2 3.82Å; I310-I376 HydrophobicContact CD1-CD1 3.54Å; K372-I376 HydrophobicContact CG-CD1 4.25Å; K372-I376 WeakPolarHBondContact O-CG1 3.03Å; K372-I376 PolarHBondContact O-N 2.51Å; A373-I376 PolarHBondContact O-N 3.13Å; A373-I376 VanDerWaalsContact O-N 3.15Å; I376-N378 VanDerWaalsContact C-N 3.35Å; I376-N378 PolarHBondContact O-N 2.91Å; I376-K379 WeakPolarHBondContact O-CA 3.4Å; I376-K379 WeakPolarHBondContact O-CB 3.09Å; I376-K379 PolarHBondContact O-N 2.77Å; I376-K379 VanDerWaalsContact O-N 3.09Å; I376-I380 HydrophobicContact CG2-CD1 3.98Å; I376-I380 HydrophobicContact CG2-CG1 4.35Å; I376-I380 WeakPolarHBondContact O-CG1 3.39Å; I376-I380 PolarHBondContact O-N 3.27Å
377	I	88.1	Confident	86.9	Confident	17 Å²	17	75.3 Å²	75.3	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-46.6	176.1	-74	163.9	0	0	0	111.3	L307 A373 R374 K379 I380 F381 I393 M395	L307-I377 HydrophobicContact CD1-CG1 4.11Å; L307-I377 HydrophobicContact CD2-CG1 4.25Å; A373-I377 WeakPolarHBondContact O-CB 3.42Å; A373-I377 WeakPolarHBondContact O-CG1 3.49Å; A373-I377 PolarHBondContact O-N 2.96Å; R374-I377 PolarHBondContact O-N 3.48Å; I377-K379 PolarHBondContact O-N 3.19Å; I377-I380 PolarHBondContact O-N 3.46Å; I377-I380 VanDerWaalsContact O-N 3.15Å; I377-F381 HydrophobicContact CG2-CD2 3.47Å; I377-F381 VanDerWaalsContact CG2-CD2 3.47Å; I377-F381 HydrophobicContact CG2-CE2 3.22Å; I377-F381 HydrophobicContact CG2-CZ 4.3Å; I377-F381 VanDerWaalsContact O-CD2 3.25Å; I377-F381 WeakPolarHBondContact O-CD2 3.21Å; I377-F381 PolarHBondContact O-N 3.36Å; I377-I393 HydrophobicContact CD1-CG2 3.88Å; I377-I393 HydrophobicContact CG1-CG2 3.89Å; I377-I393 HydrophobicContact CG2-CD1 4.22Å; I377-M395 HydrophobicContact CD1-CE 3.99Å; I377-M395 HydrophobicContact CD1-CG 3.58Å; I377-M395 HydrophobicContact CD1-SD 3.29Å; I377-M395 WeakPolarHBondContact CD1-SD 3.36Å
378	N	87.9	Confident	86.2	Confident	103 Å²	103	77.6 Å²	77.6	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-60.2	-36.8	176.7	-71	-9.3	0	0	0	111.8	R374 R375 I376 T382	R374-N378 VanDerWaalsContact O-CG 3.25Å; R374-N378 PolarHBondContact O-N 3.17Å; R375-N378 PolarHBondContact O-N 3.42Å; I376-N378 VanDerWaalsContact C-N 3.35Å; I376-N378 PolarHBondContact O-N 2.91Å; N378-T382 WeakPolarHBondContact O-CB 3.25Å; N378-T382 PolarHBondContact O-N 3.09Å; N378-T382 PolarHBondContact O-OG1 2.81Å
379	K	85.4	Confident	85.4	Confident	86 Å²	86	74.7 Å²	74.7	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-45.4	173.3	-72.1	-177.7	177.5	-168.5	0	112.1	N47 M303 R375 I376 I377 F381 T382 L383	N47-K379 PolarHBondContact OD1-NZ 3.2Å; M303-K379 HydrophobicContact SD-CB 3.84Å; R375-K379 WeakPolarHBondContact O-CG 3.35Å; R375-K379 PolarHBondContact O-N 3.24Å; R375-K379 VanDerWaalsContact O-N 3.12Å; I376-K379 WeakPolarHBondContact O-CA 3.4Å; I376-K379 WeakPolarHBondContact O-CB 3.09Å; I376-K379 PolarHBondContact O-N 2.77Å; I376-K379 VanDerWaalsContact O-N 3.09Å; I377-K379 PolarHBondContact O-N 3.19Å; K379-F381 VanDerWaalsContact C-N 3.32Å; K379-F381 PolarHBondContact O-N 2.82Å; K379-T382 WeakPolarHBondContact O-CB 3.42Å; K379-T382 PolarHBondContact O-N 3.37Å; K379-T382 VanDerWaalsContact O-N 3.11Å; K379-L383 WeakPolarHBondContact O-CG 3.49Å; K379-L383 PolarHBondContact O-N 3.42Å
380	I	86.5	Confident	84.5	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-57.2	-46.9	175.7	-69.7	171.8	0	0	0	110.1	L300 M303 L307 I376 I377 T382 L383 S384 P391 I393	L300-I380 HydrophobicContact CD2-CG2 4.23Å; M303-I380 HydrophobicContact CB-CD1 3.93Å; M303-I380 HydrophobicContact CB-CG1 3.7Å; M303-I380 HydrophobicContact CG-CG1 4.43Å; M303-I380 HydrophobicContact SD-CG1 4.12Å; L307-I380 HydrophobicContact CD1-CD1 3.55Å; L307-I380 HydrophobicContact CG-CD1 4.36Å; I376-I380 HydrophobicContact CG2-CD1 3.98Å; I376-I380 HydrophobicContact CG2-CG1 4.35Å; I376-I380 WeakPolarHBondContact O-CG1 3.39Å; I376-I380 PolarHBondContact O-N 3.27Å; I377-I380 PolarHBondContact O-N 3.46Å; I377-I380 VanDerWaalsContact O-N 3.15Å; I380-T382 VanDerWaalsContact C-N 3.31Å; I380-T382 PolarHBondContact O-N 3.21Å; I380-L383 PolarHBondContact O-N 3.03Å; I380-S384 VanDerWaalsContact O-CB 3.26Å; I380-S384 WeakPolarHBondContact O-CB 3.37Å; I380-S384 PolarHBondContact O-N 3.27Å; I380-S384 PolarHBondContact O-OG 3.11Å; I380-P391 HydrophobicContact CG2-CB 3.44Å; I380-P391 VanDerWaalsContact CG2-CB 3.44Å; I380-P391 HydrophobicContact CG2-CG 3.57Å; I380-I393 HydrophobicContact CG2-CD1 4.41Å
381	F	85.7	Confident	83.7	Confident	116 Å²	116	82.3 Å²	82.3	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-61.7	-38.6	176	-77.8	-56	0	0	0	112.7	I377 K379 S384 K385 I393	I377-F381 HydrophobicContact CG2-CD2 3.47Å; I377-F381 VanDerWaalsContact CG2-CD2 3.47Å; I377-F381 HydrophobicContact CG2-CE2 3.22Å; I377-F381 HydrophobicContact CG2-CZ 4.3Å; I377-F381 VanDerWaalsContact O-CD2 3.25Å; I377-F381 WeakPolarHBondContact O-CD2 3.21Å; I377-F381 PolarHBondContact O-N 3.36Å; K379-F381 VanDerWaalsContact C-N 3.32Å; K379-F381 PolarHBondContact O-N 2.82Å; F381-S384 WeakPolarHBondContact CA-OG 3.16Å; F381-K385 PolarHBondContact O-N 2.95Å; F381-K385 VanDerWaalsContact O-N 3.13Å; F381-I393 HydrophobicContact CE1-CD1 3.87Å; F381-I393 HydrophobicContact CE2-CD1 3.87Å; F381-I393 HydrophobicContact CZ-CD1 3.49Å; F381-I393 VanDerWaalsContact CZ-CD1 3.49Å
382	T	83.3	Confident	82.9	Confident	107 Å²	107	88.1 Å²	88.1	66%	0.656	41%	0.409	S	S	*	.	H	α-helix	trans	-64.9	-44.3	177.4	-55.2	0	0	0	0	111.2	N378 K379 I380 K385	N378-T382 WeakPolarHBondContact O-CB 3.25Å; N378-T382 PolarHBondContact O-N 3.09Å; N378-T382 PolarHBondContact O-OG1 2.81Å; K379-T382 WeakPolarHBondContact O-CB 3.42Å; K379-T382 PolarHBondContact O-N 3.37Å; K379-T382 VanDerWaalsContact O-N 3.11Å; I380-T382 VanDerWaalsContact C-N 3.31Å; I380-T382 PolarHBondContact O-N 3.21Å; T382-K385 WeakPolarHBondContact O-CB 3.32Å
383	L	80.6	Confident	82.2	Confident	62 Å²	62	85.1 Å²	85.1	33%	0.325	40%	0.398	S	S	.	.	H	α-helix	trans	-75.4	-31.3	-178.9	-67.8	167.2	0	0	0	113	P296 L300 M303 K379 I380	P296-L383 HydrophobicContact CG-CB 4.37Å; P296-L383 HydrophobicContact CG-CD2 4.21Å; L300-L383 HydrophobicContact CD2-CB 4.05Å; M303-L383 HydrophobicContact CE-CD1 3.04Å; M303-L383 HydrophobicContact SD-CD1 3.9Å; K379-L383 WeakPolarHBondContact O-CG 3.49Å; K379-L383 PolarHBondContact O-N 3.42Å; I380-L383 PolarHBondContact O-N 3.03Å
384	S	84.9	Confident	81.4	Confident	15 Å²	15	90.9 Å²	90.9	11%	0.105	43%	0.427	C	S	.	.	H	α-helix	trans	-88.8	0.9	178.8	60.8	0	0	0	0	114.1	I380 F381 R386 C387	I380-S384 VanDerWaalsContact O-CB 3.26Å; I380-S384 WeakPolarHBondContact O-CB 3.37Å; I380-S384 PolarHBondContact O-N 3.27Å; I380-S384 PolarHBondContact O-OG 3.11Å; F381-S384 WeakPolarHBondContact CA-OG 3.16Å; S384-R386 PolarHBondContact O-N 3.47Å; S384-C387 WeakPolarHBondContact O-CB 3.23Å; S384-C387 PolarHBondContact O-N 3Å
385	K	82.6	Confident	80.4	Confident	127 Å²	127	87.4 Å²	87.4	55%	0.552	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-33.4	-177	-175	-173	177.8	-163.5	0	113.7	D281 F381 T382	D281-K385 VanDerWaalsContact CG-NZ 3.32Å; D281-K385 IonicContact OD1-NZ 3.08Å; D281-K385 PolarHBondContact OD1-NZ 2.98Å; D281-K385 IonicContact OD2-NZ 2.79Å; D281-K385 PolarHBondContact OD2-NZ 3.32Å; F381-K385 PolarHBondContact O-N 2.95Å; F381-K385 VanDerWaalsContact O-N 3.13Å; T382-K385 WeakPolarHBondContact O-CB 3.32Å
386	R	80.8	Confident	79.5	Confident	116 Å²	116	82 Å²	82	44%	0.438	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	16.9	-177.7	-58.8	-62.9	-172.1	179.5	1.5	112.9	D281 W283 N294 S384	D281-R386 IonicContact OD2-CZ 2.77Å; D281-R386 IonicContact OD2-NE 3.76Å; D281-R386 IonicContact OD2-NH2 3.59Å; D281-R386 PolarHBondContact OD2-NH2 3.27Å; W283-R386 HydrophobicContact CB-CG 4.42Å; N294-R386 HydrophobicContact CB-CB 4.06Å; S384-R386 PolarHBondContact O-N 3.47Å
387	C	83.2	Confident	79	Confident	22 Å²	22	92 Å²	92	15%	0.149	44%	0.439	C	S	.	.			trans	-88.3	145.6	177.2	-73.2	0	0	0	0	112.5	C295 S384	C295-C387 WeakPolarHBondContact CA-SG 3.45Å; C295-C387 HydrophobicContact CB-CB 4.29Å; C295-C387 WeakPolarHBondContact CB-SG 3.37Å; C295-C387 WeakPolarHBondContact SG-CA 3.3Å; C295-C387 WeakPolarHBondContact SG-CB 3.49Å; C295-C387 CovalentContact SG-SG 2.03Å; C295-C387 PolarHBondContact SG-SG 3.28Å; S384-C387 WeakPolarHBondContact O-CB 3.23Å; S384-C387 PolarHBondContact O-N 3Å
388	Q	75.8	Confident	78.6	Confident	140 Å²	140	95.6 Å²	95.6	65%	0.654	46%	0.455	S	S	*	.	S	Bend	trans	-81	-27.9	172.6	-60.2	-171.5	2.1	0	0	111.4
389	T	72.3	Confident	78.5	Confident	75 Å²	75	94.5 Å²	94.5	46%	0.46	44%	0.443	S	S	.	.	S	Bend	trans	-78.9	128.5	176.5	25.2	0	0	0	0	111.1	Q292	Q292-T389 PolarHBondContact NE2-OG1 3.46Å; Q292-T389 PolarHBondContact OE1-OG1 2.84Å
390	Q	71.6	Confident	78.6	Confident	180 Å²	180	94.2 Å²	94.2	84%	0.841	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-80.3	124.5	172.2	-72.2	-178.2	-10.2	0	0	109.9
391	P	72.8	Confident	78.8	Confident	32 Å²	32	96.7 Å²	96.7	21%	0.208	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-67.8	142.9	177.9	27.5	-33.3	0	0	0	110.9	I380 I393	I380-P391 HydrophobicContact CG2-CB 3.44Å; I380-P391 VanDerWaalsContact CG2-CB 3.44Å; I380-P391 HydrophobicContact CG2-CG 3.57Å; P391-I393 HydrophobicContact CG-CD1 4.33Å; P391-I393 PolarHBondContact O-N 3.45Å
392	K	74.2	Confident	79	Confident	169 Å²	169	92.8 Å²	92.8	74%	0.735	45%	0.454	S	S	*	.			trans	-85	96.6	-179.9	-71.2	-177.8	-177.6	176.4	0	110	E304	E304-K392 PolarHBondContact OE1-N 3.36Å
393	I	75.8	Confident	79.4	Confident	55 Å²	55	91.6 Å²	91.6	28%	0.282	44%	0.438	S	S	.	.			trans	-101	104.8	178.4	-57.1	167.5	0	0	0	109.1	I377 I380 F381 P391 M395	I377-I393 HydrophobicContact CD1-CG2 3.88Å; I377-I393 HydrophobicContact CG1-CG2 3.89Å; I377-I393 HydrophobicContact CG2-CD1 4.22Å; I380-I393 HydrophobicContact CG2-CD1 4.41Å; F381-I393 HydrophobicContact CE1-CD1 3.87Å; F381-I393 HydrophobicContact CE2-CD1 3.87Å; F381-I393 HydrophobicContact CZ-CD1 3.49Å; F381-I393 VanDerWaalsContact CZ-CD1 3.49Å; P391-I393 HydrophobicContact CG-CD1 4.33Å; P391-I393 PolarHBondContact O-N 3.45Å; I393-M395 HydrophobicContact CG2-CG 4.18Å
394	I	71.7	Confident	80	Confident	126 Å²	126	88.8 Å²	88.8	65%	0.646	42%	0.423	S	S	*	.			trans	-109.1	109.2	171.7	-57.1	173.7	0	0	0	107.5
395	M	68.6	Low	80.3	Confident	90 Å²	90	88.6 Å²	88.6	44%	0.443	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-97.3	135.4	175	-78.4	-67	-78	0	0	110.6	A373 I377 I393	A373-M395 HydrophobicContact CB-CE 3.88Å; A373-M395 HydrophobicContact CB-SD 3.94Å; I377-M395 HydrophobicContact CD1-CE 3.99Å; I377-M395 HydrophobicContact CD1-CG 3.58Å; I377-M395 HydrophobicContact CD1-SD 3.29Å; I377-M395 WeakPolarHBondContact CD1-SD 3.36Å; I393-M395 HydrophobicContact CG2-CG 4.18Å
396	L	70.6	Confident	80.7	Confident	63 Å²	63	86 Å²	86	33%	0.33	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-72	141.1	168.4	-76.4	166.5	0	0	0	110	R311 W314	R311-L396 HydrophobicContact CB-CD1 4.01Å; R311-L396 HydrophobicContact CG-CD1 3.47Å; R311-L396 VanDerWaalsContact CG-CD1 3.47Å; R311-L396 HydrophobicContact CG-CD2 4.26Å; R311-L396 HydrophobicContact CG-CG 3.8Å; W314-L396 HydrophobicContact CB-CD1 3.67Å; W314-L396 HydrophobicContact CG-CD1 3.74Å
397	R	77.1	Confident	81.2	Confident	231 Å²	231	82 Å²	82	87%	0.872	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-81	127.7	170.8	-166.5	173.1	-176.2	175.6	0.3	108.6	R399	R397-R399 PolarHBondContact O-N 2.83Å
398	E	78.4	Confident	81.6	Confident	93 Å²	93	81 Å²	81	44%	0.435	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-58.3	135.7	173	-174.3	172.9	-176.4	0	0	110	W314 P400	W314-E398 HydrophobicContact CZ2-CB 4.16Å; W314-E398 HydrophobicContact CZ2-CG 4.19Å; E398-P400 WeakPolarHBondContact O-CD 3.4Å
399	R	86.3	Confident	82.3	Confident	79 Å²	79	74.3 Å²	74.3	30%	0.298	36%	0.36	S	S	.	.			trans	-84.8	103.2	176.8	-71.9	176.2	177.5	-167.4	2.2	107.8	R397 Y403	R397-R399 PolarHBondContact O-N 2.83Å; R399-Y403 HydrophobicContact CB-CD1 3.81Å; R399-Y403 HydrophobicContact CB-CE1 4.41Å; R399-Y403 HydrophobicContact CB-CG 4.06Å; R399-Y403 VanDerWaalsContact CD-CE1 3.49Å; R399-Y403 HydrophobicContact CG-CD1 3.88Å; R399-Y403 HydrophobicContact CG-CD2 4.46Å; R399-Y403 HydrophobicContact CG-CE1 4.04Å; R399-Y403 HydrophobicContact CG-CG 4.13Å
400	P	88.8	Confident	83.1	Confident	81 Å²	81	71.1 Å²	71.1	53%	0.526	34%	0.341	S	S	.	.			trans	-66.8	165.3	-178.6	30.4	-36.8	0	0	0	110.6	E398 G402 Y403	E398-P400 WeakPolarHBondContact O-CD 3.4Å; P400-G402 PolarHBondContact O-N 3.27Å; P400-G402 VanDerWaalsContact O-N 3.14Å; P400-Y403 VanDerWaalsContact O-CB 3.26Å; P400-Y403 WeakPolarHBondContact O-CB 3.4Å; P400-Y403 PolarHBondContact O-N 3.42Å
401	F	89.6	Confident	84	Confident	51 Å²	51	64.4 Å²	64.4	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-51	-40.1	175.3	-177.5	-110.5	0	0	0	112.9	Q346 W349 Y359 Y403 W404 L405	Q346-F401 HydrophobicContact CB-CE1 4.26Å; Q346-F401 HydrophobicContact CG-CE1 3.81Å; Q346-F401 HydrophobicContact CG-CZ 4.24Å; W349-F401 HydrophobicContact CB-CZ 4.5Å; W349-F401 AromaticContact CD1-CE2 3.95Å; W349-F401 HydrophobicContact CD2-CE2 4.02Å; W349-F401 HydrophobicContact CD2-CZ 4.38Å; W349-F401 AromaticContact CE2-CE2 3.76Å; W349-F401 HydrophobicContact CG-CE2 4.09Å; W349-F401 HydrophobicContact CG-CZ 4.11Å; W349-F401 HydrophobicContact CZ2-CE2 4.18Å; W349-F401 AromaticContact NE1-CE2 3.76Å; Y359-F401 HydrophobicContact CD1-CD2 4.43Å; Y359-F401 AromaticContact CE1-CD2 3.86Å; Y359-F401 HydrophobicContact CE1-CD2 3.86Å; Y359-F401 AromaticContact CZ-CD2 3.94Å; Y359-F401 WeakPolarHBondContact OH-CA 3.35Å; Y359-F401 PolarHBondContact OH-N 2.87Å; F401-Y403 VanDerWaalsContact C-N 3.27Å; F401-Y403 PolarHBondContact O-N 3.31Å; F401-W404 PolarHBondContact O-N 3.16Å; F401-W404 VanDerWaalsContact O-N 3.08Å; F401-L405 HydrophobicContact CD1-CD1 3.99Å; F401-L405 HydrophobicContact CD1-CG 4.26Å; F401-L405 HydrophobicContact CE1-CD1 3.67Å; F401-L405 HydrophobicContact CE1-CD2 3.9Å; F401-L405 HydrophobicContact CE1-CG 3.91Å; F401-L405 HydrophobicContact CE2-CD2 4.48Å; F401-L405 HydrophobicContact CZ-CD1 4.41Å; F401-L405 HydrophobicContact CZ-CD2 3.78Å; F401-L405 HydrophobicContact CZ-CG 4.22Å; F401-L405 PolarHBondContact O-N 3.18Å
402	G	90.4	Very high	84.5	Confident	35 Å²	35	64.6 Å²	64.6	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-28.2	176.4	0	0	0	0	0	114.7	P400 W404 L405 N406	P400-G402 PolarHBondContact O-N 3.27Å; P400-G402 VanDerWaalsContact O-N 3.14Å; G402-W404 VanDerWaalsContact C-N 3.34Å; G402-L405 PolarHBondContact O-N 3.01Å; G402-N406 PolarHBondContact O-N 2.74Å; G402-N406 VanDerWaalsContact O-N 3.14Å
403	Y	91.1	Very high	84.9	Confident	82 Å²	82	56.7 Å²	56.7	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-44.8	172.5	170	-84.4	0	0	0	110.5	R399 P400 F401 L405 N406 Y407	R399-Y403 HydrophobicContact CB-CD1 3.81Å; R399-Y403 HydrophobicContact CB-CE1 4.41Å; R399-Y403 HydrophobicContact CB-CG 4.06Å; R399-Y403 VanDerWaalsContact CD-CE1 3.49Å; R399-Y403 HydrophobicContact CG-CD1 3.88Å; R399-Y403 HydrophobicContact CG-CD2 4.46Å; R399-Y403 HydrophobicContact CG-CE1 4.04Å; R399-Y403 HydrophobicContact CG-CG 4.13Å; P400-Y403 VanDerWaalsContact O-CB 3.26Å; P400-Y403 WeakPolarHBondContact O-CB 3.4Å; P400-Y403 PolarHBondContact O-N 3.42Å; F401-Y403 VanDerWaalsContact C-N 3.27Å; F401-Y403 PolarHBondContact O-N 3.31Å; Y403-L405 PolarHBondContact O-N 3.43Å; Y403-N406 PolarHBondContact O-N 2.71Å; Y403-Y407 HydrophobicContact CE1-CD2 4.34Å; Y403-Y407 HydrophobicContact CE1-CG 4.35Å; Y403-Y407 VanDerWaalsContact O-CB 3.3Å; Y403-Y407 WeakPolarHBondContact O-CB 3.33Å; Y403-Y407 PolarHBondContact O-N 3.16Å
404	W	92.4	Very high	85.4	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-35.3	-179.1	-69	106.9	0	0	0	112.6	N318 F321 F327 Y359 L362 F401 G402 Y407 I408	N318-W404 HydrophobicContact CB-CH2 4.44Å; N318-W404 HydrophobicContact CB-CZ2 4.41Å; F321-W404 HydrophobicContact CD1-CD2 4.31Å; F321-W404 HydrophobicContact CD1-CE3 4.12Å; F321-W404 AromaticContact CD1-CH2 3.55Å; F321-W404 HydrophobicContact CD1-CH2 3.55Å; F321-W404 AromaticContact CD1-CZ2 3.75Å; F321-W404 HydrophobicContact CD1-CZ2 3.75Å; F321-W404 AromaticContact CD1-CZ3 3.75Å; F321-W404 HydrophobicContact CD1-CZ3 3.75Å; F321-W404 AromaticContact CE1-CD2 3.98Å; F321-W404 HydrophobicContact CE1-CD2 3.98Å; F321-W404 AromaticContact CE1-CE3 3.91Å; F321-W404 HydrophobicContact CE1-CE3 3.91Å; F321-W404 HydrophobicContact CE1-CH2 4.18Å; F321-W404 HydrophobicContact CE1-CZ2 4.24Å; F321-W404 HydrophobicContact CE1-CZ3 4.01Å; F327-W404 HydrophobicContact CE2-CE3 4.23Å; Y359-W404 AromaticContact CE2-CD1 3.65Å; Y359-W404 AromaticContact CE2-NE1 3.87Å; L362-W404 HydrophobicContact CD2-CZ2 3.95Å; F401-W404 PolarHBondContact O-N 3.16Å; F401-W404 VanDerWaalsContact O-N 3.08Å; G402-W404 VanDerWaalsContact C-N 3.34Å; W404-Y407 AromaticContact CE3-CD1 3.99Å; W404-Y407 HydrophobicContact CE3-CD1 3.99Å; W404-Y407 HydrophobicContact CE3-CG 4.46Å; W404-Y407 AromaticContact CZ3-CD1 3.99Å; W404-Y407 HydrophobicContact CZ3-CD1 3.99Å; W404-Y407 HydrophobicContact CZ3-CE1 4.33Å; W404-Y407 WeakPolarHBondContact O-CB 3.1Å; W404-Y407 PolarHBondContact O-N 2.9Å; W404-I408 VanDerWaalsContact O-CG1 3.26Å; W404-I408 WeakPolarHBondContact O-CG1 3.31Å; W404-I408 PolarHBondContact O-N 3.23Å
405	L	92.5	Very high	86.1	Confident	11 Å²	11	50.3 Å²	50.3	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-48.5	172.4	-61.5	179.3	0	0	0	111.4	I345 Q346 F401 G402 Y403 Y407 I408 L409	I345-L405 HydrophobicContact CB-CD2 4.13Å; I345-L405 HydrophobicContact CG2-CD2 3.6Å; Q346-L405 HydrophobicContact CB-CD1 4.23Å; Q346-L405 HydrophobicContact CB-CD2 4.31Å; F401-L405 HydrophobicContact CD1-CD1 3.99Å; F401-L405 HydrophobicContact CD1-CG 4.26Å; F401-L405 HydrophobicContact CE1-CD1 3.67Å; F401-L405 HydrophobicContact CE1-CD2 3.9Å; F401-L405 HydrophobicContact CE1-CG 3.91Å; F401-L405 HydrophobicContact CE2-CD2 4.48Å; F401-L405 HydrophobicContact CZ-CD1 4.41Å; F401-L405 HydrophobicContact CZ-CD2 3.78Å; F401-L405 HydrophobicContact CZ-CG 4.22Å; F401-L405 PolarHBondContact O-N 3.18Å; G402-L405 PolarHBondContact O-N 3.01Å; Y403-L405 PolarHBondContact O-N 3.43Å; L405-Y407 VanDerWaalsContact C-N 3.29Å; L405-Y407 PolarHBondContact O-N 3.25Å; L405-I408 PolarHBondContact O-N 3.28Å; L405-L409 WeakPolarHBondContact O-CG 3.36Å; L405-L409 PolarHBondContact O-N 3.21Å
406	N	90.6	Very high	86.5	Confident	73 Å²	73	50.1 Å²	50.1	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-32.9	176.9	-72.9	-20.8	0	0	0	112.4	G402 Y403 L409 S410	G402-N406 PolarHBondContact O-N 2.74Å; G402-N406 VanDerWaalsContact O-N 3.14Å; Y403-N406 PolarHBondContact O-N 2.71Å; N406-L409 PolarHBondContact O-N 2.83Å; N406-S410 WeakPolarHBondContact O-CB 3.31Å; N406-S410 PolarHBondContact O-N 3.13Å; N406-S410 PolarHBondContact O-OG 3.24Å
407	Y	91.6	Very high	86.5	Confident	32 Å²	32	51.5 Å²	51.5	13%	0.125	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-44.8	174.5	-167.9	-111.5	0	0	0	111.3	E322 F327 Y403 W404 L405 S410 I411 L420	E322-Y407 HydrophobicContact CG-CE1 3.99Å; E322-Y407 PolarHBondContact OE1-OH 2.99Å; E322-Y407 PolarHBondContact OE2-OH 3.28Å; F327-Y407 HydrophobicContact CZ-CD1 4.1Å; F327-Y407 HydrophobicContact CZ-CE1 4.44Å; Y403-Y407 HydrophobicContact CE1-CD2 4.34Å; Y403-Y407 HydrophobicContact CE1-CG 4.35Å; Y403-Y407 VanDerWaalsContact O-CB 3.3Å; Y403-Y407 WeakPolarHBondContact O-CB 3.33Å; Y403-Y407 PolarHBondContact O-N 3.16Å; W404-Y407 AromaticContact CE3-CD1 3.99Å; W404-Y407 HydrophobicContact CE3-CD1 3.99Å; W404-Y407 HydrophobicContact CE3-CG 4.46Å; W404-Y407 AromaticContact CZ3-CD1 3.99Å; W404-Y407 HydrophobicContact CZ3-CD1 3.99Å; W404-Y407 HydrophobicContact CZ3-CE1 4.33Å; W404-Y407 WeakPolarHBondContact O-CB 3.1Å; W404-Y407 PolarHBondContact O-N 2.9Å; L405-Y407 VanDerWaalsContact C-N 3.29Å; L405-Y407 PolarHBondContact O-N 3.25Å; Y407-S410 WeakPolarHBondContact O-CB 3.05Å; Y407-S410 PolarHBondContact O-N 2.85Å; Y407-I411 HydrophobicContact CD1-CD1 3.67Å; Y407-I411 HydrophobicContact CD1-CG1 4.46Å; Y407-I411 HydrophobicContact CE1-CD1 3.47Å; Y407-I411 VanDerWaalsContact CE1-CD1 3.47Å; Y407-I411 HydrophobicContact CE1-CG1 4.23Å; Y407-I411 WeakPolarHBondContact O-CG1 3.44Å; Y407-I411 PolarHBondContact O-N 2.73Å; Y407-L420 HydrophobicContact CD2-CD2 4.06Å; Y407-L420 HydrophobicContact CE2-CD2 3.25Å
408	I	91.9	Very high	86.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-45	175.4	-67.1	164	0	0	0	110.9	F327 F330 V331 L334 I345 W349 W404 L405 S410 I411 M412	F327-I408 HydrophobicContact CE2-CD1 4.12Å; F327-I408 HydrophobicContact CE2-CG1 3.98Å; F327-I408 HydrophobicContact CZ-CD1 4.49Å; F327-I408 HydrophobicContact CZ-CG1 3.86Å; F330-I408 HydrophobicContact CD1-CD1 4.27Å; F330-I408 HydrophobicContact CE1-CD1 3.85Å; V331-I408 HydrophobicContact CG2-CG1 4.22Å; V331-I408 HydrophobicContact CG2-CG2 4.36Å; L334-I408 HydrophobicContact CD1-CG2 3.51Å; I345-I408 HydrophobicContact CD1-CB 4.35Å; I345-I408 HydrophobicContact CD1-CG2 3.9Å; I345-I408 HydrophobicContact CG2-CD1 3.94Å; I345-I408 HydrophobicContact CG2-CG2 4.3Å; W349-I408 HydrophobicContact CE3-CD1 3.87Å; W349-I408 HydrophobicContact CZ3-CD1 3.44Å; W349-I408 VanDerWaalsContact CZ3-CD1 3.44Å; W404-I408 VanDerWaalsContact O-CG1 3.26Å; W404-I408 WeakPolarHBondContact O-CG1 3.31Å; W404-I408 PolarHBondContact O-N 3.23Å; L405-I408 PolarHBondContact O-N 3.28Å; I408-S410 PolarHBondContact O-N 3.31Å; I408-I411 PolarHBondContact O-N 3.11Å; I408-I411 VanDerWaalsContact O-N 3.16Å; I408-M412 HydrophobicContact CG2-CG 4.35Å; I408-M412 VanDerWaalsContact O-CG 3.23Å; I408-M412 WeakPolarHBondContact O-CG 3.25Å; I408-M412 PolarHBondContact O-N 2.87Å
409	L	89.4	Confident	86	Confident	1 Å²	1	48 Å²	48	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-57.9	-39	174.3	-69.8	169.3	0	0	0	111.7	L340 I345 L405 N406 M412 Y413 Y423	L340-L409 VanDerWaalsContact O-CD2 3.26Å; L340-L409 WeakPolarHBondContact O-CD2 3.26Å; I345-L409 HydrophobicContact CD1-CD1 4.42Å; I345-L409 HydrophobicContact CD1-CD2 3.37Å; I345-L409 HydrophobicContact CD1-CG 3.52Å; L405-L409 WeakPolarHBondContact O-CG 3.36Å; L405-L409 PolarHBondContact O-N 3.21Å; N406-L409 PolarHBondContact O-N 2.83Å; L409-M412 PolarHBondContact O-N 3.42Å; L409-Y413 HydrophobicContact CB-CD2 4.44Å; L409-Y413 HydrophobicContact CD2-CD2 4.14Å; L409-Y413 HydrophobicContact CD2-CE2 3.66Å; L409-Y413 WeakPolarHBondContact O-CB 3.29Å; L409-Y413 WeakPolarHBondContact O-CD2 3.31Å; L409-Y413 PolarHBondContact O-N 3.15Å; L409-Y423 HydrophobicContact CB-CD1 3.6Å; L409-Y423 HydrophobicContact CB-CE1 4.28Å; L409-Y423 HydrophobicContact CB-CG 4.07Å; L409-Y423 HydrophobicContact CD1-CD1 3.97Å; L409-Y423 HydrophobicContact CD1-CE1 4.2Å; L409-Y423 HydrophobicContact CD2-CD1 4.48Å; L409-Y423 HydrophobicContact CD2-CE1 4.34Å; L409-Y423 HydrophobicContact CG-CD1 4.23Å
410	S	90.3	Very high	85.8	Confident	7 Å²	7	47.5 Å²	47.5	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-37.8	177	-58.2	0	0	0	0	112.4	N406 Y407 I408 M412 C414 G421 Y423	N406-S410 WeakPolarHBondContact O-CB 3.31Å; N406-S410 PolarHBondContact O-N 3.13Å; N406-S410 PolarHBondContact O-OG 3.24Å; Y407-S410 WeakPolarHBondContact O-CB 3.05Å; Y407-S410 PolarHBondContact O-N 2.85Å; I408-S410 PolarHBondContact O-N 3.31Å; S410-M412 VanDerWaalsContact C-N 3.32Å; S410-C414 CarbonylContact O-C 3.59Å; S410-C414 WeakPolarHBondContact O-CA 3.5Å; S410-C414 WeakPolarHBondContact O-CB 3.35Å; S410-C414 PolarHBondContact O-N 3.09Å; S410-G421 VanDerWaalsContact CB-O 3.3Å; S410-G421 WeakPolarHBondContact CB-O 3.35Å; S410-Y423 PolarHBondContact OG-N 2.92Å
411	I	89.1	Confident	85.6	Confident	40 Å²	40	44 Å²	44	21%	0.205	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-40.2	172.5	-68.6	163.9	0	0	0	110.6	F327 V331 Y407 I408 S415 L420	F327-I411 HydrophobicContact CE1-CD1 4.02Å; F327-I411 HydrophobicContact CZ-CD1 4.17Å; V331-I411 HydrophobicContact CG1-CG2 4.03Å; Y407-I411 HydrophobicContact CD1-CD1 3.67Å; Y407-I411 HydrophobicContact CD1-CG1 4.46Å; Y407-I411 HydrophobicContact CE1-CD1 3.47Å; Y407-I411 VanDerWaalsContact CE1-CD1 3.47Å; Y407-I411 HydrophobicContact CE1-CG1 4.23Å; Y407-I411 WeakPolarHBondContact O-CG1 3.44Å; Y407-I411 PolarHBondContact O-N 2.73Å; I408-I411 PolarHBondContact O-N 3.11Å; I408-I411 VanDerWaalsContact O-N 3.16Å; I411-S415 VanDerWaalsContact O-CB 3.25Å; I411-S415 WeakPolarHBondContact O-CB 3.38Å; I411-S415 PolarHBondContact O-OG 3.46Å; I411-L420 HydrophobicContact CB-CD1 4.5Å; I411-L420 HydrophobicContact CG1-CD1 3.92Å
412	M	83.1	Confident	85.4	Confident	35 Å²	35	44.8 Å²	44.8	17%	0.172	24%	0.244	C	C	.	.	H	α-helix	trans	-72.6	-42.6	-177.8	-67.1	-71.4	-70.9	0	0	112.2	V331 L334 T336 I408 L409 S410 S441	V331-M412 HydrophobicContact CG1-SD 4.15Å; L334-M412 HydrophobicContact CB-CE 4.33Å; T336-M412 HydrophobicContact CG2-CE 3.9Å; I408-M412 HydrophobicContact CG2-CG 4.35Å; I408-M412 VanDerWaalsContact O-CG 3.23Å; I408-M412 WeakPolarHBondContact O-CG 3.25Å; I408-M412 PolarHBondContact O-N 2.87Å; L409-M412 PolarHBondContact O-N 3.42Å; S410-M412 VanDerWaalsContact C-N 3.32Å; M412-S441 PolarHBondContact O-OG 2.89Å
413	Y	84.5	Confident	85.2	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-111.8	-16.3	-167.2	-58.5	-42.6	0	0	0	115.1	L340 L409 Y423 C430 S441 I443 P444	L340-Y413 PolarHBondContact N-OH 2.58Å; L409-Y413 HydrophobicContact CB-CD2 4.44Å; L409-Y413 HydrophobicContact CD2-CD2 4.14Å; L409-Y413 HydrophobicContact CD2-CE2 3.66Å; L409-Y413 WeakPolarHBondContact O-CB 3.29Å; L409-Y413 WeakPolarHBondContact O-CD2 3.31Å; L409-Y413 PolarHBondContact O-N 3.15Å; Y413-Y423 HydrophobicContact CD2-CD1 4.36Å; Y413-Y423 AromaticContact CD2-CD2 3.86Å; Y413-Y423 HydrophobicContact CD2-CD2 3.86Å; Y413-Y423 HydrophobicContact CD2-CE1 4.09Å; Y413-Y423 AromaticContact CD2-CE2 3.56Å; Y413-Y423 HydrophobicContact CD2-CE2 3.56Å; Y413-Y423 HydrophobicContact CD2-CG 4.24Å; Y413-Y423 AromaticContact CD2-CZ 3.68Å; Y413-Y423 HydrophobicContact CG-CD2 4.17Å; Y413-Y423 AromaticContact CG-CE2 3.96Å; Y413-Y423 HydrophobicContact CG-CE2 3.96Å; Y413-C430 VanDerWaalsContact C-SG 3.59Å; Y413-C430 PolarHBondContact O-SG 3.06Å; Y413-S441 WeakPolarHBondContact CA-OG 3.41Å; Y413-S441 PolarHBondContact O-N 2.04Å; Y413-S441 PolarHBondContact O-OG 3.12Å; Y413-I443 HydrophobicContact CD1-CB 4.35Å; Y413-I443 HydrophobicContact CD1-CG1 3.95Å; Y413-I443 HydrophobicContact CD1-CG2 4.31Å; Y413-I443 HydrophobicContact CE1-CG2 4.41Å; Y413-I443 HydrophobicContact CG-CG1 4Å; Y413-P444 VanDerWaalsContact CE1-CD 3.45Å; Y413-P444 HydrophobicContact CE1-CG 4.35Å
414	C	85.6	Confident	84.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-132.4	37.1	-171.5	-51.8	0	0	0	0	112.7	S410 H419 L420 G421 Y423 C430 C439	S410-C414 CarbonylContact O-C 3.59Å; S410-C414 WeakPolarHBondContact O-CA 3.5Å; S410-C414 WeakPolarHBondContact O-CB 3.35Å; S410-C414 PolarHBondContact O-N 3.09Å; C414-H419 VanDerWaalsContact O-O 3.09Å; C414-L420 CarbonylContact O-C 3.49Å; C414-L420 WeakPolarHBondContact O-CA 3.36Å; C414-G421 PolarHBondContact O-N 3.37Å; C414-Y423 VanDerWaalsContact SG-CA 3.5Å; C414-Y423 VanDerWaalsContact SG-CB 3.59Å; C414-C430 WeakPolarHBondContact CA-SG 3.48Å; C414-C430 HydrophobicContact CB-CB 3.7Å; C414-C430 WeakPolarHBondContact CB-SG 3.5Å; C414-C430 VanDerWaalsContact SG-CA 3.58Å; C414-C430 WeakPolarHBondContact SG-CB 3.2Å; C414-C430 CovalentContact SG-SG 2.02Å; C414-C430 PolarHBondContact SG-SG 2.95Å; C414-C439 CarbonylContact C-O 3.51Å; C414-C439 WeakPolarHBondContact CA-O 3.47Å
415	S	85.6	Confident	84.1	Confident	47 Å²	47	47.2 Å²	47.2	33%	0.329	25%	0.249	S	C	.	.			trans	-118.8	13.6	-177.3	63.9	0	0	0	0	114.2	I411 N418 C439	I411-S415 VanDerWaalsContact O-CB 3.25Å; I411-S415 WeakPolarHBondContact O-CB 3.38Å; I411-S415 PolarHBondContact O-OG 3.46Å; S415-N418 PolarHBondContact O-N 3.43Å; S415-C439 PolarHBondContact N-O 3.41Å
416	E	78.1	Confident	83.2	Confident	85 Å²	85	55.3 Å²	55.3	40%	0.397	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-63.8	140.4	-179.2	-158	171.6	-149.7	0	0	110.5	N418 C439	E416-N418 PolarHBondContact O-N 2.85Å; E416-C439 PolarHBondContact N-O 3.32Å
417	N	70	Confident	82.2	Confident	92 Å²	92	55.7 Å²	55.7	49%	0.492	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	63.5	29.3	-177.1	-54.6	-57	0	0	0	115.9	H419 P437 P438	N417-H419 PolarHBondContact O-N 3.15Å; N417-P437 HydrophobicContact CB-CG 4.28Å; N417-P438 PolarHBondContact ND2-O 2.63Å
418	N	70	Confident	81.3	Confident	166 Å²	166	59.9 Å²	59.9	89%	0.888	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	62.4	15.1	179.7	-89.5	-0.5	0	0	0	114.9	S415 E416	S415-N418 PolarHBondContact O-N 3.43Å; E416-N418 PolarHBondContact O-N 2.85Å
419	H	74.6	Confident	80.6	Confident	84 Å²	84	61.8 Å²	61.8	39%	0.389	32%	0.321	S	S	.	.			trans	-109.7	121	173.7	-64.6	149.9	0	0	0	109.9	C414 N417 G421	C414-H419 VanDerWaalsContact O-O 3.09Å; N417-H419 PolarHBondContact O-N 3.15Å; H419-G421 PolarHBondContact O-N 3.13Å
420	L	82.2	Confident	80.3	Confident	69 Å²	69	62.6 Å²	62.6	36%	0.361	33%	0.326	S	S	.	.			trans	-82.5	116.8	176.3	-167.5	76.5	0	0	0	110.4	Y407 I411 C414	Y407-L420 HydrophobicContact CD2-CD2 4.06Å; Y407-L420 HydrophobicContact CE2-CD2 3.25Å; I411-L420 HydrophobicContact CB-CD1 4.5Å; I411-L420 HydrophobicContact CG1-CD1 3.92Å; C414-L420 CarbonylContact O-C 3.49Å; C414-L420 WeakPolarHBondContact O-CA 3.36Å
421	G	85.1	Confident	80	Confident	8 Å²	8	65.8 Å²	65.8	8%	0.082	35%	0.349	C	S	.	.			trans	-92.5	-178.6	167.9	0	0	0	0	0	112.8	S410 C414 H419 S431	S410-G421 VanDerWaalsContact CB-O 3.3Å; S410-G421 WeakPolarHBondContact CB-O 3.35Å; C414-G421 PolarHBondContact O-N 3.37Å; H419-G421 PolarHBondContact O-N 3.13Å; G421-S431 WeakPolarHBondContact CA-O 3.31Å
422	S	85.4	Confident	79.7	Confident	68 Å²	68	65.7 Å²	65.7	48%	0.476	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.4	174	-176.5	0	0	0	0	110.3	S431	S422-S431 PolarHBondContact N-O 2.95Å; S422-S431 PolarHBondContact O-N 2.79Å
423	Y	86	Confident	79.4	Confident	14 Å²	14	68.1 Å²	68.1	6%	0.055	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.6	175.9	-175.4	-106.7	0	0	0	111.8	L409 S410 Y413 C414 E425 I443	L409-Y423 HydrophobicContact CB-CD1 3.6Å; L409-Y423 HydrophobicContact CB-CE1 4.28Å; L409-Y423 HydrophobicContact CB-CG 4.07Å; L409-Y423 HydrophobicContact CD1-CD1 3.97Å; L409-Y423 HydrophobicContact CD1-CE1 4.2Å; L409-Y423 HydrophobicContact CD2-CD1 4.48Å; L409-Y423 HydrophobicContact CD2-CE1 4.34Å; L409-Y423 HydrophobicContact CG-CD1 4.23Å; S410-Y423 PolarHBondContact OG-N 2.92Å; Y413-Y423 HydrophobicContact CD2-CD1 4.36Å; Y413-Y423 AromaticContact CD2-CD2 3.86Å; Y413-Y423 HydrophobicContact CD2-CD2 3.86Å; Y413-Y423 HydrophobicContact CD2-CE1 4.09Å; Y413-Y423 AromaticContact CD2-CE2 3.56Å; Y413-Y423 HydrophobicContact CD2-CE2 3.56Å; Y413-Y423 HydrophobicContact CD2-CG 4.24Å; Y413-Y423 AromaticContact CD2-CZ 3.68Å; Y413-Y423 HydrophobicContact CG-CD2 4.17Å; Y413-Y423 AromaticContact CG-CE2 3.96Å; Y413-Y423 HydrophobicContact CG-CE2 3.96Å; C414-Y423 VanDerWaalsContact SG-CA 3.5Å; C414-Y423 VanDerWaalsContact SG-CB 3.59Å; Y423-E425 HydrophobicContact CE1-CB 4.11Å; Y423-E425 HydrophobicContact CE1-CG 4.42Å; Y423-I443 HydrophobicContact CE2-CD1 3.86Å; Y423-I443 HydrophobicContact CE2-CG1 4.46Å
424	M	82.3	Confident	78.7	Confident	85 Å²	85	75.2 Å²	75.2	42%	0.419	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.2	170.8	-65	-175.7	71.2	0	0	109.8	T427 R428 S429	M424-T427 WeakPolarHBondContact CB-OG1 3.36Å; M424-R428 WeakPolarHBondContact O-CA 3.43Å; M424-R428 PolarHBondContact O-N 3.42Å; M424-S429 PolarHBondContact N-O 3.29Å; M424-S429 PolarHBondContact O-N 3.49Å
425	E	78.7	Confident	77.5	Confident	70 Å²	70	83.8 Å²	83.8	33%	0.327	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-35.2	-176.9	-167.1	172.6	179.2	0	0	112.4	N341 S342 Y423	N341-E425 WeakPolarHBondContact CA-OE1 3.4Å; N341-E425 WeakPolarHBondContact CB-OE1 3.44Å; S342-E425 WeakPolarHBondContact CB-OE2 3.31Å; S342-E425 PolarHBondContact N-OE1 2.99Å; S342-E425 PolarHBondContact OG-OE2 3.42Å; Y423-E425 HydrophobicContact CE1-CB 4.11Å; Y423-E425 HydrophobicContact CE1-CG 4.42Å
426	E	73.5	Confident	76.2	Confident	181 Å²	181	89.4 Å²	89.4	85%	0.846	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-45.1	-178.5	-65.4	167.1	-174.4	0	0	112.7
427	T	70	Confident	75.2	Confident	82 Å²	82	88.4 Å²	88.4	50%	0.503	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-6	-177.7	55	0	0	0	0	113	M424 S429	M424-T427 WeakPolarHBondContact CB-OG1 3.36Å; T427-S429 PolarHBondContact O-N 3.25Å; T427-S429 PolarHBondContact OG1-OG 2.86Å
428	R	71.1	Confident	75.2	Confident	120 Å²	120	87.6 Å²	87.6	45%	0.453	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	42.9	-173.8	-60	-176.8	179.8	-177.2	-0.5	112.7	M424 I443 T446	M424-R428 WeakPolarHBondContact O-CA 3.43Å; M424-R428 PolarHBondContact O-N 3.42Å; R428-I443 WeakPolarHBondContact O-CD1 3.37Å; R428-T446 PolarHBondContact NH1-OG1 2.91Å; R428-T446 PolarHBondContact NH2-OG1 2.95Å; R428-T446 VanDerWaalsContact NH2-OG1 3.1Å
429	S	78	Confident	75.5	Confident	40 Å²	40	79.8 Å²	79.8	28%	0.28	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.7	-176.5	62.8	0	0	0	0	110.8	M424 T427	M424-S429 PolarHBondContact N-O 3.29Å; M424-S429 PolarHBondContact O-N 3.49Å; T427-S429 PolarHBondContact O-N 3.25Å; T427-S429 PolarHBondContact OG1-OG 2.86Å
430	C	83.1	Confident	75.6	Confident	17 Å²	17	79.6 Å²	79.6	12%	0.115	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.5	175.3	-63.4	0	0	0	0	111	Y413 C414 Q440	Y413-C430 VanDerWaalsContact C-SG 3.59Å; Y413-C430 PolarHBondContact O-SG 3.06Å; C414-C430 WeakPolarHBondContact CA-SG 3.48Å; C414-C430 HydrophobicContact CB-CB 3.7Å; C414-C430 WeakPolarHBondContact CB-SG 3.5Å; C414-C430 VanDerWaalsContact SG-CA 3.58Å; C414-C430 WeakPolarHBondContact SG-CB 3.2Å; C414-C430 CovalentContact SG-SG 2.02Å; C414-C430 PolarHBondContact SG-SG 2.95Å; C430-Q440 HydrophobicContact CB-CB 3.93Å; C430-Q440 HydrophobicContact CB-CG 4.32Å
431	S	84.6	Confident	74.9	Confident	74 Å²	74	77.4 Å²	77.4	52%	0.517	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	104.7	164.8	-178.9	0	0	0	0	108.6	G421 S422	G421-S431 WeakPolarHBondContact CA-O 3.31Å; S422-S431 PolarHBondContact N-O 2.95Å; S422-S431 PolarHBondContact O-N 2.79Å
432	C	81.4	Confident	74	Confident	39 Å²	39	82.5 Å²	82.5	26%	0.264	44%	0.436	S	S	.	.			trans	-88.3	142.8	179.9	-54.5	0	0	0	0	111.3	Y434 C439	C432-Y434 WeakPolarHBondContact CB-O 3.47Å; C432-Y434 PolarHBondContact O-N 2.99Å; C432-C439 WeakPolarHBondContact CA-SG 3.45Å; C432-C439 HydrophobicContact CB-CB 3.88Å; C432-C439 WeakPolarHBondContact CB-SG 3.49Å; C432-C439 VanDerWaalsContact SG-CA 3.57Å; C432-C439 WeakPolarHBondContact SG-CB 3.32Å; C432-C439 PolarHBondContact SG-N 2.89Å; C432-C439 CovalentContact SG-SG 2.03Å; C432-C439 PolarHBondContact SG-SG 2.97Å
433	P	76.8	Confident	72.9	Confident	85 Å²	85	80.6 Å²	80.6	55%	0.552	42%	0.421	S	S	*	.	S	Bend	trans	-68.6	-20.3	176	24.3	-30.7	0	0	0	113.5
434	Y	71	Confident	71.3	Confident	154 Å²	154	81 Å²	81	60%	0.604	43%	0.425	S	S	*	.	S	Bend	trans	-127.2	138	175.6	-59.9	-79.1	0	0	0	109.5	C432 H436	C432-Y434 WeakPolarHBondContact CB-O 3.47Å; C432-Y434 PolarHBondContact O-N 2.99Å; Y434-H436 VanDerWaalsContact C-N 3.33Å; Y434-H436 PolarHBondContact O-N 2.83Å
435	E	61.1	Low	69.7	Low	179 Å²	179	77.8 Å²	77.8	84%	0.836	41%	0.411	S	S	*	.	S	Bend	trans	-69.6	-27.1	-178	-76.4	178	156	0	0	113.1
436	H	56.3	Low	68.2	Low	165 Å²	165	76.6 Å²	76.6	76%	0.764	41%	0.408	S	S	*	.	S	Bend	trans	-143.8	131.6	178.6	-64.5	-45.2	0	0	0	111.6	Y434	Y434-H436 VanDerWaalsContact C-N 3.33Å; Y434-H436 PolarHBondContact O-N 2.83Å
437	P	57.6	Low	66.7	Low	65 Å²	65	73.2 Å²	73.2	42%	0.422	40%	0.4	S	S	.	.	S	Bend	cis	-73.5	157	-5.6	31.3	-34.3	0	0	0	112.8	N417	N417-P437 HydrophobicContact CB-CG 4.28Å
438	P	69.5	Low	65.5	Low	74 Å²	74	71.7 Å²	71.7	48%	0.481	40%	0.4	S	S	.	.			trans	-62.8	140.8	176.2	27.1	-33.4	0	0	0	110.8	N417	N417-P438 PolarHBondContact ND2-O 2.63Å
439	C	77.1	Confident	63.8	Low	3 Å²	3	75 Å²	75	2%	0.02	42%	0.42	C	S	.	.			trans	-91.4	-4.1	175	72.3	0	0	0	0	112.8	C414 S415 E416 C432 S441	C414-C439 CarbonylContact C-O 3.51Å; C414-C439 WeakPolarHBondContact CA-O 3.47Å; S415-C439 PolarHBondContact N-O 3.41Å; E416-C439 PolarHBondContact N-O 3.32Å; C432-C439 WeakPolarHBondContact CA-SG 3.45Å; C432-C439 HydrophobicContact CB-CB 3.88Å; C432-C439 WeakPolarHBondContact CB-SG 3.49Å; C432-C439 VanDerWaalsContact SG-CA 3.57Å; C432-C439 WeakPolarHBondContact SG-CB 3.32Å; C432-C439 PolarHBondContact SG-N 2.89Å; C432-C439 CovalentContact SG-SG 2.03Å; C432-C439 PolarHBondContact SG-SG 2.97Å; C439-S441 PolarHBondContact O-N 2.9Å
440	Q	76.4	Confident	62.3	Low	80 Å²	80	75 Å²	75	37%	0.374	43%	0.427	S	S	.	.			trans	-78.5	108.9	-174.5	179.9	165.3	-21.9	0	0	111	C430	C430-Q440 HydrophobicContact CB-CB 3.93Å; C430-Q440 HydrophobicContact CB-CG 4.32Å
441	S	68.6	Low	60.4	Low	23 Å²	23	78.2 Å²	78.2	16%	0.161	45%	0.45	C	S	.	.			trans	-76.6	170.6	171.9	71.3	0	0	0	0	111.5	M412 Y413 C439 I443	M412-S441 PolarHBondContact O-OG 2.89Å; Y413-S441 WeakPolarHBondContact CA-OG 3.41Å; Y413-S441 PolarHBondContact O-N 2.04Å; Y413-S441 PolarHBondContact O-OG 3.12Å; C439-S441 PolarHBondContact O-N 2.9Å; S441-I443 PolarHBondContact O-N 3.12Å; S441-I443 VanDerWaalsContact O-N 3.07Å
442	V	65.5	Low	58.6	Low	114 Å²	114	77.2 Å²	77.2	69%	0.691	44%	0.443	S	S	*	.			trans	-64.4	110.1	178.8	-176.7	0	0	0	0	110	P444	V442-P444 WeakPolarHBondContact O-CD 3.44Å
443	I	62.3	Low	56.9	Low	29 Å²	29	75.7 Å²	75.7	15%	0.149	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-81.9	118.3	174.8	-59.4	165.1	0	0	0	108.3	A339 Y413 Y423 R428 S441	A339-I443 HydrophobicContact CB-CG2 4.36Å; Y413-I443 HydrophobicContact CD1-CB 4.35Å; Y413-I443 HydrophobicContact CD1-CG1 3.95Å; Y413-I443 HydrophobicContact CD1-CG2 4.31Å; Y413-I443 HydrophobicContact CE1-CG2 4.41Å; Y413-I443 HydrophobicContact CG-CG1 4Å; Y423-I443 HydrophobicContact CE2-CD1 3.86Å; Y423-I443 HydrophobicContact CE2-CG1 4.46Å; R428-I443 WeakPolarHBondContact O-CD1 3.37Å; S441-I443 PolarHBondContact O-N 3.12Å; S441-I443 VanDerWaalsContact O-N 3.07Å
444	P	53.2	Low	55.4	Low	23 Å²	23	73.1 Å²	73.1	15%	0.149	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-64.1	143.6	177.7	-13.7	26.3	0	0	0	110.5	T336 A339 Y413 V442	T336-P444 WeakPolarHBondContact O-CG 3.45Å; A339-P444 WeakPolarHBondContact CB-O 3.16Å; A339-P444 PolarHBondContact N-O 3.16Å; Y413-P444 VanDerWaalsContact CE1-CD 3.45Å; Y413-P444 HydrophobicContact CE1-CG 4.35Å; V442-P444 WeakPolarHBondContact O-CD 3.44Å
445	C	48.4	Very low	54.1	Low	17 Å²	17	68.4 Å²	68.4	12%	0.115	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-69.7	150	-178.9	-56.1	0	0	0	0	112	S452 A454	C445-S452 WeakPolarHBondContact CB-O 3.41Å; C445-A454 HydrophobicContact CB-CB 3.71Å; C445-A454 VanDerWaalsContact CB-N 3.27Å
446	T	45.9	Very low	53.5	Low	45 Å²	45	60.6 Å²	60.6	28%	0.276	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-82.5	131.8	172.2	48.8	0	0	0	0	110.7	A339 R428 G448	A339-T446 HydrophobicContact CB-CG2 3.59Å; R428-T446 PolarHBondContact NH1-OG1 2.91Å; R428-T446 PolarHBondContact NH2-OG1 2.95Å; R428-T446 VanDerWaalsContact NH2-OG1 3.1Å; T446-G448 PolarHBondContact O-N 2.99Å; T446-G448 VanDerWaalsContact O-N 3.13Å
447	V	42.6	Very low	52.7	Low	110 Å²	110	56 Å²	56	67%	0.667	36%	0.359	S	S	*	.	S	Bend	trans	-66.1	109.2	171.8	-176.7	0	0	0	0	108.8
448	G	45.2	Very low	52.3	Low	49 Å²	49	60.9 Å²	60.9	51%	0.505	37%	0.37	S	S	.	.	S	Bend	trans	175.2	171.9	-178.3	0	0	0	0	0	113.2	T446 G450	T446-G448 PolarHBondContact O-N 2.99Å; T446-G448 VanDerWaalsContact O-N 3.13Å; G448-G450 PolarHBondContact O-N 3.48Å
449	E	36.2	Very low	50.9	Low	189 Å²	189	65.5 Å²	65.5	88%	0.883	39%	0.385	S	S	*	.	S	Bend	trans	-69.3	98.2	179.1	-69.4	-169.3	165.3	0	0	110.6
450	G	45.2	Very low	49.5	Very low	41 Å²	41	70.1 Å²	70.1	42%	0.423	41%	0.41	S	S	.	.	S	Bend	trans	-171	158.4	176.5	0	0	0	0	0	110.6	G448 S452	G448-G450 PolarHBondContact O-N 3.48Å; G450-S452 PolarHBondContact O-N 3.22Å
451	S	44.3	Very low	48.1	Very low	84 Å²	84	72.6 Å²	72.6	59%	0.587	42%	0.416	S	S	*	.	S	Bend	trans	-70.4	6	-172	53.8	0	0	0	0	116	T466	S451-T466 CarbonylContact C-O 3.49Å; S451-T466 CarbonylContact O-C 3.59Å; S451-T466 PolarHBondContact O-OG1 3.4Å
452	S	46.9	Very low	46.9	Very low	54 Å²	54	77 Å²	77	38%	0.378	45%	0.447	S	S	.	.			trans	-150.7	88.7	-174	30.1	0	0	0	0	110.7	C445 G450 T466 N468	C445-S452 WeakPolarHBondContact CB-O 3.41Å; G450-S452 PolarHBondContact O-N 3.22Å; S452-T466 VanDerWaalsContact CA-O 3.31Å; S452-T466 WeakPolarHBondContact CA-O 3.31Å; S452-N468 WeakPolarHBondContact CB-OD1 3.45Å
453	C	45.1	Very low	45.7	Very low	6 Å²	6	81.1 Å²	81.1	4%	0.041	45%	0.45	C	S	.	.			trans	-121.9	139.1	179.7	-173.3	0	0	0	0	110.5	S455 C478	C453-S455 PolarHBondContact SG-O 2.9Å; C453-C478 PolarHBondContact O-SG 3.46Å
454	A	45.6	Very low	44.9	Very low	32 Å²	32	81.2 Å²	81.2	26%	0.264	45%	0.453	S	S	.	.	S	Bend	trans	-88	-19.3	-176.4	0	0	0	0	0	113.7	C445 C478	C445-A454 HydrophobicContact CB-CB 3.71Å; C445-A454 VanDerWaalsContact CB-N 3.27Å; A454-C478 PolarHBondContact O-N 2.98Å
455	S	44.2	Very low	44.7	Very low	54 Å²	54	82.1 Å²	82.1	38%	0.378	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-156.2	140.2	176.9	-176.4	0	0	0	0	112.4	C453 G476	C453-S455 PolarHBondContact SG-O 2.9Å; S455-G476 CarbonylContact C-O 3.55Å; S455-G476 WeakPolarHBondContact CA-O 3.45Å; S455-G476 PolarHBondContact OG-O 3.35Å
456	C	47.2	Very low	44.7	Very low	16 Å²	16	85.8 Å²	85.8	11%	0.108	48%	0.484	C	S	.	.			trans	-107.8	144.1	-178.3	-40.8	0	0	0	0	109.3	Y458 C464 G476	C456-Y458 PolarHBondContact O-N 3.41Å; C456-C464 HydrophobicContact CB-CB 3.66Å; C456-C464 WeakPolarHBondContact CB-SG 3.42Å; C456-C464 WeakPolarHBondContact SG-CB 3.41Å; C456-C464 CovalentContact SG-SG 2.02Å; C456-C464 PolarHBondContact SG-SG 2.94Å; C456-G476 PolarHBondContact N-O 3.46Å
457	S	40.6	Very low	45	Very low	67 Å²	67	84.7 Å²	84.7	47%	0.469	48%	0.478	S	S	.	.			trans	-52.9	135.3	176.8	171	0	0	0	0	111.7	E459 N460	S457-E459 PolarHBondContact O-N 3.28Å; S457-E459 VanDerWaalsContact O-N 3.09Å; S457-E459 PolarHBondContact OG-N 2.86Å; S457-N460 PolarHBondContact O-N 3.03Å
458	Y	47.8	Very low	45.2	Very low	168 Å²	168	83.1 Å²	83.1	66%	0.659	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.9	179.9	-152.6	-86	0	0	0	112.5	C456	C456-Y458 PolarHBondContact O-N 3.41Å
459	E	41.6	Very low	45.3	Very low	171 Å²	171	90.4 Å²	90.4	80%	0.799	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-21.6	-175.4	-64.9	-175.3	157.7	0	0	114.1	S457	S457-E459 PolarHBondContact O-N 3.28Å; S457-E459 VanDerWaalsContact O-N 3.09Å; S457-E459 PolarHBondContact OG-N 2.86Å
460	N	46.4	Very low	46	Very low	100 Å²	100	83.1 Å²	83.1	54%	0.535	46%	0.463	S	S	.	.			trans	-137	75.2	-173.9	-81	-38.6	0	0	0	112.1	S457 S462	S457-N460 PolarHBondContact O-N 3.03Å; N460-S462 VanDerWaalsContact C-N 3.34Å; N460-S462 PolarHBondContact O-N 3.46Å
461	R	47.2	Very low	46.3	Very low	132 Å²	132	84.9 Å²	84.9	50%	0.498	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-72.5	-17.4	-174	-64.8	-179.3	-173.2	173.1	3.5	115.2	R716	R461-R716 VanDerWaalsContact NH2-NH2 3.14Å
462	S	43.5	Very low	46.8	Very low	115 Å²	115	84 Å²	84	80%	0.804	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-89.2	-1	-172.4	54	0	0	0	0	115.5	N460	N460-S462 VanDerWaalsContact C-N 3.34Å; N460-S462 PolarHBondContact O-N 3.46Å
463	R	41.1	Very low	47.1	Very low	201 Å²	201	84.7 Å²	84.7	76%	0.758	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-105.2	6.4	-176.7	-70.8	-167	174.3	-156.3	0.9	114.9
464	C	45.2	Very low	47.3	Very low	31 Å²	31	85.4 Å²	85.4	21%	0.209	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-97.8	127.6	-174.2	-137.2	0	0	0	0	110.8	C456 L473	C456-C464 HydrophobicContact CB-CB 3.66Å; C456-C464 WeakPolarHBondContact CB-SG 3.42Å; C456-C464 WeakPolarHBondContact SG-CB 3.41Å; C456-C464 CovalentContact SG-SG 2.02Å; C456-C464 PolarHBondContact SG-SG 2.94Å; C464-L473 HydrophobicContact CB-CD2 4.47Å
465	A	48.3	Very low	47.6	Very low	42 Å²	42	87.5 Å²	87.5	35%	0.347	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-87.9	173.8	172.8	0	0	0	0	0	111.6
466	T	49.4	Very low	47.8	Very low	94 Å²	94	85.5 Å²	85.5	58%	0.577	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-47.7	159.1	-169.2	42.8	0	0	0	0	116.8	S451 S452	S451-T466 CarbonylContact C-O 3.49Å; S451-T466 CarbonylContact O-C 3.59Å; S451-T466 PolarHBondContact O-OG1 3.4Å; S452-T466 VanDerWaalsContact CA-O 3.31Å; S452-T466 WeakPolarHBondContact CA-O 3.31Å
467	C	51.9	Low	47.9	Very low	22 Å²	22	87.5 Å²	87.5	15%	0.149	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-89.2	164.5	173.3	-70.6	0	0	0	0	111.9	Y471 M472 L473 C478	C467-Y471 WeakPolarHBondContact CB-O 2.87Å; C467-M472 VanDerWaalsContact SG-C 3.56Å; C467-L473 WeakPolarHBondContact SG-CA 3.46Å; C467-L473 VanDerWaalsContact SG-CB 3.57Å; C467-L473 PolarHBondContact SG-N 2.97Å; C467-L473 VanDerWaalsContact SG-N 3.36Å; C467-C478 VanDerWaalsContact CA-SG 3.54Å; C467-C478 HydrophobicContact CB-CB 3.88Å; C467-C478 WeakPolarHBondContact CB-SG 3.45Å; C467-C478 WeakPolarHBondContact SG-CA 3.18Å; C467-C478 WeakPolarHBondContact SG-CB 3.35Å; C467-C478 CovalentContact SG-SG 2.02Å; C467-C478 PolarHBondContact SG-SG 3.17Å
468	N	47.3	Very low	48.5	Very low	78 Å²	78	85.7 Å²	85.7	42%	0.417	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-63	154.6	173.7	-66.9	-25	0	0	0	111.2	S452 G470 Y471	S452-N468 WeakPolarHBondContact CB-OD1 3.45Å; N468-G470 PolarHBondContact O-N 2.92Å; N468-Y471 WeakPolarHBondContact O-CA 3.15Å; N468-Y471 WeakPolarHBondContact O-CB 3.26Å; N468-Y471 PolarHBondContact O-N 3.24Å; N468-Y471 VanDerWaalsContact O-O 3.11Å
469	Q	46.8	Very low	49	Very low	202 Å²	202	81.4 Å²	81.4	94%	0.944	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	129.4	-179.6	-163.6	170.2	6.9	0	0	111.5
470	G	50.3	Low	49.6	Very low	36 Å²	36	75.7 Å²	75.7	37%	0.371	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-2.1	-171.8	0	0	0	0	0	114.7	N468 E481	N468-G470 PolarHBondContact O-N 2.92Å; G470-E481 PolarHBondContact O-N 2.91Å
471	Y	52.3	Low	50.1	Low	77 Å²	77	76.5 Å²	76.5	30%	0.302	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.2	172.5	-67.9	-101.9	0	0	0	110.3	C467 N468 R479 N480	C467-Y471 WeakPolarHBondContact CB-O 2.87Å; N468-Y471 WeakPolarHBondContact O-CA 3.15Å; N468-Y471 WeakPolarHBondContact O-CB 3.26Å; N468-Y471 PolarHBondContact O-N 3.24Å; N468-Y471 VanDerWaalsContact O-O 3.11Å; Y471-R479 CarbonylContact C-O 3.56Å; Y471-R479 WeakPolarHBondContact CA-O 3.38Å; Y471-R479 WeakPolarHBondContact CB-O 3.06Å; Y471-N480 WeakPolarHBondContact CE1-OD1 3.35Å; Y471-N480 VanDerWaalsContact CZ-OD1 3.24Å; Y471-N480 PolarHBondContact OH-OD1 3.48Å
472	M	55.2	Low	50.8	Low	66 Å²	66	71.1 Å²	71.1	33%	0.325	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	145.2	173.7	67.9	179	-64.3	0	0	111.7	C467 S474 R479 E481	C467-M472 VanDerWaalsContact SG-C 3.56Å; M472-S474 PolarHBondContact O-N 2.74Å; M472-S474 VanDerWaalsContact O-N 3.09Å; M472-R479 PolarHBondContact N-O 3.41Å; M472-R479 PolarHBondContact O-N 2.98Å; M472-R479 VanDerWaalsContact O-N 3.08Å; M472-E481 HydrophobicContact CB-CB 4.39Å; M472-E481 HydrophobicContact CB-CG 4.3Å
473	L	51.7	Low	51.3	Low	68 Å²	68	69.9 Å²	69.9	36%	0.356	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	90.3	174.3	-172.2	73.8	0	0	0	109	C464 C467	C464-L473 HydrophobicContact CB-CD2 4.47Å; C467-L473 WeakPolarHBondContact SG-CA 3.46Å; C467-L473 VanDerWaalsContact SG-CB 3.57Å; C467-L473 PolarHBondContact SG-N 2.97Å; C467-L473 VanDerWaalsContact SG-N 3.36Å
474	S	51.1	Low	52.3	Low	22 Å²	22	65.3 Å²	65.3	15%	0.154	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105.5	174.5	-170.4	0	0	0	0	109.8	M472 G476 M477	M472-S474 PolarHBondContact O-N 2.74Å; M472-S474 VanDerWaalsContact O-N 3.09Å; S474-G476 VanDerWaalsContact C-N 3.27Å; S474-G476 PolarHBondContact O-N 3.15Å; S474-G476 VanDerWaalsContact O-N 3.08Å; S474-M477 PolarHBondContact N-O 2.89Å; S474-M477 PolarHBondContact O-N 2.03Å
475	Q	50	Low	53.2	Low	76 Å²	76	68 Å²	68	36%	0.355	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	39.1	166.9	-51	178.5	-3.5	0	0	115.3	R716	Q475-R716 PolarHBondContact O-NH1 3.03Å; Q475-R716 VanDerWaalsContact O-NH1 3.08Å; Q475-R716 PolarHBondContact O-NH2 2.7Å
476	G	48.7	Very low	54.3	Low	11 Å²	11	66.1 Å²	66.1	11%	0.113	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	10.4	175.3	0	0	0	0	0	115.8	S455 C456 S474	S455-G476 CarbonylContact C-O 3.55Å; S455-G476 WeakPolarHBondContact CA-O 3.45Å; S455-G476 PolarHBondContact OG-O 3.35Å; C456-G476 PolarHBondContact N-O 3.46Å; S474-G476 VanDerWaalsContact C-N 3.27Å; S474-G476 PolarHBondContact O-N 3.15Å; S474-G476 VanDerWaalsContact O-N 3.08Å
477	M	50.3	Low	55.3	Low	59 Å²	59	65 Å²	65	29%	0.291	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.8	172.1	-67.8	-178.8	-73.2	0	0	110.1	S474	S474-M477 PolarHBondContact N-O 2.89Å; S474-M477 PolarHBondContact O-N 2.03Å
478	C	52.6	Low	56.3	Low	28 Å²	28	69.4 Å²	69.4	19%	0.189	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.3	171.3	-68.4	0	0	0	0	110.8	C453 A454 C467	C453-C478 PolarHBondContact O-SG 3.46Å; A454-C478 PolarHBondContact O-N 2.98Å; C467-C478 VanDerWaalsContact CA-SG 3.54Å; C467-C478 HydrophobicContact CB-CB 3.88Å; C467-C478 WeakPolarHBondContact CB-SG 3.45Å; C467-C478 WeakPolarHBondContact SG-CA 3.18Å; C467-C478 WeakPolarHBondContact SG-CB 3.35Å; C467-C478 CovalentContact SG-SG 2.02Å; C467-C478 PolarHBondContact SG-SG 3.17Å
479	R	57.7	Low	57.7	Low	78 Å²	78	67.1 Å²	67.1	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.6	-179.9	-68.5	-178.6	164.1	-148.3	-7.6	110.2	Y471 M472 E481 D712	Y471-R479 CarbonylContact C-O 3.56Å; Y471-R479 WeakPolarHBondContact CA-O 3.38Å; Y471-R479 WeakPolarHBondContact CB-O 3.06Å; M472-R479 PolarHBondContact N-O 3.41Å; M472-R479 PolarHBondContact O-N 2.98Å; M472-R479 VanDerWaalsContact O-N 3.08Å; R479-E481 PolarHBondContact O-N 2.77Å; R479-D712 IonicContact CZ-OD2 3.19Å; R479-D712 VanDerWaalsContact CZ-OD2 3.24Å; R479-D712 IonicContact NH1-OD2 3.54Å; R479-D712 PolarHBondContact NH1-OD2 3.49Å; R479-D712 IonicContact NH2-OD2 3.23Å; R479-D712 PolarHBondContact NH2-OD2 3.49Å
480	N	56	Low	59.1	Low	52 Å²	52	57.6 Å²	57.6	28%	0.278	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	130.8	177.8	-71.5	-33.2	0	0	0	110.1	Y471 V482	Y471-N480 WeakPolarHBondContact CE1-OD1 3.35Å; Y471-N480 VanDerWaalsContact CZ-OD1 3.24Å; Y471-N480 PolarHBondContact OH-OD1 3.48Å; N480-V482 PolarHBondContact O-N 2.01Å
481	E	56.6	Low	60	Low	117 Å²	117	57 Å²	57	55%	0.547	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65.7	122	179.8	-170.9	168.2	-163.4	0	0	109.5	G470 M472 R479	G470-E481 PolarHBondContact O-N 2.91Å; M472-E481 HydrophobicContact CB-CB 4.39Å; M472-E481 HydrophobicContact CB-CG 4.3Å; R479-E481 PolarHBondContact O-N 2.77Å
482	V	60.9	Low	60.6	Low	19 Å²	19	54.8 Å²	54.8	12%	0.115	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-80.4	135.3	176.9	-177.9	0	0	0	0	108	N480 D484 Q706 E709	N480-V482 PolarHBondContact O-N 2.01Å; V482-D484 WeakPolarHBondContact CG1-O 3.06Å; V482-D484 PolarHBondContact O-N 3.42Å; V482-Q706 HydrophobicContact CG1-CG 3.46Å; V482-Q706 VanDerWaalsContact CG1-CG 3.46Å; V482-E709 HydrophobicContact CG2-CB 4.44Å; V482-E709 WeakPolarHBondContact CG2-OE2 3.46Å
483	P	54.8	Low	60.7	Low	88 Å²	88	59.7 Å²	59.7	57%	0.571	32%	0.317	S	S	*	.	S	Bend	trans	-58.8	-31	-174	-24.6	32.8	0	0	0	114.8
484	D	60.8	Low	60.9	Low	106 Å²	106	58.8 Å²	58.8	57%	0.567	31%	0.314	S	S	*	.	S	Bend	trans	-131.3	145.6	-178.6	-60.8	-53.1	0	0	0	111	V482 T486	V482-D484 WeakPolarHBondContact CG1-O 3.06Å; V482-D484 PolarHBondContact O-N 3.42Å; D484-T486 PolarHBondContact O-N 2.78Å
485	S	65.6	Low	61	Low	87 Å²	87	65.7 Å²	65.7	61%	0.608	35%	0.349	S	S	*	.			trans	-64.7	129.5	179.6	61.1	0	0	0	0	112.2	D487	S485-D487 PolarHBondContact O-N 2.88Å
486	T	70.3	Confident	61.6	Low	3 Å²	3	64.4 Å²	64.4	2%	0.018	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-77.3	1.2	178.5	50.3	0	0	0	0	114.9	D484 H488 Y489 I490 Q706 E709 I710 R713	D484-T486 PolarHBondContact O-N 2.78Å; T486-H488 VanDerWaalsContact C-N 3.25Å; T486-H488 PolarHBondContact O-N 2.85Å; T486-Y489 HydrophobicContact CG2-CD2 4.24Å; T486-Y489 HydrophobicContact CG2-CE2 4.47Å; T486-Y489 WeakPolarHBondContact O-CD2 3.35Å; T486-Y489 PolarHBondContact O-N 2.92Å; T486-Y489 VanDerWaalsContact O-N 3.1Å; T486-I490 PolarHBondContact O-N 3.05Å; T486-Q706 HydrophobicContact CG2-CB 4.37Å; T486-Q706 HydrophobicContact CG2-CG 4.4Å; T486-E709 HydrophobicContact CG2-CB 4.3Å; T486-E709 HydrophobicContact CG2-CG 4.46Å; T486-E709 WeakPolarHBondContact CG2-OE2 3.38Å; T486-E709 PolarHBondContact OG1-OE1 3.21Å; T486-E709 VanDerWaalsContact OG1-OE1 3.09Å; T486-E709 PolarHBondContact OG1-OE2 2.03Å; T486-I710 HydrophobicContact CG2-CG1 4.26Å; T486-R713 PolarHBondContact OG1-NH1 3.41Å
487	D	69.8	Low	62.5	Low	69 Å²	69	70.9 Å²	70.9	37%	0.369	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-69.8	-19.4	-176.9	-63.4	-38.5	0	0	0	113.7	S485 Y489 R713	S485-D487 PolarHBondContact O-N 2.88Å; D487-Y489 VanDerWaalsContact C-N 3.28Å; D487-Y489 PolarHBondContact O-N 2.89Å; D487-R713 IonicContact OD1-CZ 3.73Å; D487-R713 IonicContact OD1-NH1 2.71Å; D487-R713 PolarHBondContact OD1-NH1 3.43Å; D487-R713 IonicContact OD1-NH2 2.75Å; D487-R713 PolarHBondContact OD1-NH2 3.5Å
488	H	73.9	Confident	63.3	Low	115 Å²	115	71.9 Å²	71.9	53%	0.532	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-67.4	-28	171.1	-175.3	38.7	0	0	0	112.4	T486	T486-H488 VanDerWaalsContact C-N 3.25Å; T486-H488 PolarHBondContact O-N 2.85Å
489	Y	76.6	Confident	64.1	Low	30 Å²	30	77.9 Å²	77.9	12%	0.118	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-49.1	179	-55	-72.8	0	0	0	112.1	T486 D487 D680 A683 I684 L687 I710	T486-Y489 HydrophobicContact CG2-CD2 4.24Å; T486-Y489 HydrophobicContact CG2-CE2 4.47Å; T486-Y489 WeakPolarHBondContact O-CD2 3.35Å; T486-Y489 PolarHBondContact O-N 2.92Å; T486-Y489 VanDerWaalsContact O-N 3.1Å; D487-Y489 VanDerWaalsContact C-N 3.28Å; D487-Y489 PolarHBondContact O-N 2.89Å; Y489-D680 PolarHBondContact O-N 3.42Å; Y489-D680 VanDerWaalsContact O-N 3.1Å; Y489-A683 HydrophobicContact CD1-CB 3.61Å; Y489-A683 HydrophobicContact CE1-CB 3.69Å; Y489-A683 WeakPolarHBondContact CE1-O 3.38Å; Y489-I684 HydrophobicContact CD1-CG1 3.82Å; Y489-I684 HydrophobicContact CG-CG1 4.22Å; Y489-L687 HydrophobicContact CD1-CD1 3.77Å; Y489-L687 HydrophobicContact CD1-CG 4.49Å; Y489-L687 HydrophobicContact CD2-CD1 4.25Å; Y489-L687 HydrophobicContact CE1-CD1 3.29Å; Y489-L687 HydrophobicContact CE1-CD2 4.4Å; Y489-L687 HydrophobicContact CE1-CG 3.65Å; Y489-L687 HydrophobicContact CE2-CD1 3.85Å; Y489-L687 HydrophobicContact CG-CD1 4.24Å; Y489-L687 WeakPolarHBondContact OH-CD2 3.2Å; Y489-I710 HydrophobicContact CD2-CD1 3.97Å; Y489-I710 HydrophobicContact CG-CD1 3.94Å
490	I	75.4	Confident	65.1	Low	3 Å²	3	78.6 Å²	78.6	2%	0.015	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-143.2	115.1	179.2	-48.9	-172.5	0	0	0	109.2	T486 F492 M677 F679 I684 I710 V714 L731	T486-I490 PolarHBondContact O-N 3.05Å; I490-F492 HydrophobicContact CB-CD2 4.23Å; I490-F492 HydrophobicContact CB-CE2 3.63Å; I490-F492 HydrophobicContact CB-CZ 4.2Å; I490-F492 HydrophobicContact CG2-CD2 3.98Å; I490-F492 HydrophobicContact CG2-CE1 4.34Å; I490-F492 HydrophobicContact CG2-CE2 3.49Å; I490-F492 VanDerWaalsContact CG2-CE2 3.49Å; I490-F492 HydrophobicContact CG2-CZ 3.69Å; I490-F492 WeakPolarHBondContact O-CD2 3.44Å; I490-F492 PolarHBondContact O-N 3.45Å; I490-M677 HydrophobicContact CG2-CE 3.72Å; I490-F679 HydrophobicContact CD1-CD2 4.05Å; I490-F679 HydrophobicContact CD1-CE2 4.07Å; I490-F679 HydrophobicContact CG1-CD2 3.89Å; I490-F679 HydrophobicContact CG1-CE2 4.23Å; I490-I684 HydrophobicContact CD1-CD1 4.41Å; I490-I684 HydrophobicContact CG1-CD1 4.26Å; I490-I710 HydrophobicContact CD1-CG2 3.91Å; I490-V714 HydrophobicContact CD1-CG2 3.9Å; I490-L731 HydrophobicContact CD1-CD1 4Å
491	G	69.3	Low	65.9	Low	22 Å²	22	76.2 Å²	76.2	23%	0.227	40%	0.399	C	S	.	.			trans	-82	111.3	179.6	0	0	0	0	0	112.5	M677 H678	G491-M677 WeakPolarHBondContact O-CB 3.41Å; G491-M677 WeakPolarHBondContact O-CE 3.47Å; G491-M677 WeakPolarHBondContact O-CG 3.34Å; G491-H678 PolarHBondContact N-O 3.35Å
492	F	65.4	Low	66.8	Low	31 Å²	31	76.4 Å²	76.4	14%	0.136	40%	0.395	C	S	.	.			trans	-99.3	2.9	178.5	-63	-99.1	0	0	0	115.4	I490 T494 F625 M677 R713 V714 L717	I490-F492 HydrophobicContact CB-CD2 4.23Å; I490-F492 HydrophobicContact CB-CE2 3.63Å; I490-F492 HydrophobicContact CB-CZ 4.2Å; I490-F492 HydrophobicContact CG2-CD2 3.98Å; I490-F492 HydrophobicContact CG2-CE1 4.34Å; I490-F492 HydrophobicContact CG2-CE2 3.49Å; I490-F492 VanDerWaalsContact CG2-CE2 3.49Å; I490-F492 HydrophobicContact CG2-CZ 3.69Å; I490-F492 WeakPolarHBondContact O-CD2 3.44Å; I490-F492 PolarHBondContact O-N 3.45Å; F492-T494 PolarHBondContact O-N 2.97Å; F492-F625 HydrophobicContact CE1-CZ 4.07Å; F492-M677 HydrophobicContact CB-CE 4.26Å; F492-M677 HydrophobicContact CD1-CE 3.42Å; F492-M677 VanDerWaalsContact CD1-CE 3.42Å; F492-M677 HydrophobicContact CD2-CE 4.29Å; F492-M677 HydrophobicContact CE1-CE 3.79Å; F492-M677 HydrophobicContact CG-CE 3.72Å; F492-M677 HydrophobicContact CZ-CE 4.41Å; F492-R713 HydrophobicContact CE1-CB 4.33Å; F492-R713 HydrophobicContact CE2-CB 3.84Å; F492-R713 HydrophobicContact CE2-CG 4.47Å; F492-R713 VanDerWaalsContact CE2-NE 3.35Å; F492-R713 HydrophobicContact CZ-CB 3.65Å; F492-V714 HydrophobicContact CZ-CG2 4.3Å; F492-L717 HydrophobicContact CD1-CD1 4.22Å; F492-L717 HydrophobicContact CE1-CD1 3.71Å
493	E	56.7	Low	67.7	Low	170 Å²	170	81.9 Å²	81.9	79%	0.794	42%	0.415	S	S	*	.			trans	-64.8	120.5	-179.5	-70.1	-167.5	150.2	0	0	112.3
494	T	56.6	Low	68.9	Low	49 Å²	49	78.1 Å²	78.1	30%	0.301	39%	0.389	S	S	.	.			trans	-155.3	125.2	157.6	35.8	0	0	0	0	110.4	F492 Y675	F492-T494 PolarHBondContact O-N 2.97Å; T494-Y675 HydrophobicContact CG2-CD1 4.14Å; T494-Y675 HydrophobicContact CG2-CD2 3.75Å; T494-Y675 HydrophobicContact CG2-CE1 4.13Å; T494-Y675 HydrophobicContact CG2-CE2 3.71Å; T494-Y675 HydrophobicContact CG2-CG 3.96Å; T494-Y675 PolarHBondContact OG1-OH 3.44Å
495	D	53	Low	69.7	Low	166 Å²	166	73.4 Å²	73.4	89%	0.888	36%	0.364	S	S	*	.			trans	-92.8	24.9	-179.7	-80.6	-25.6	0	0	0	113.8	Q497	D495-Q497 PolarHBondContact O-N 3.23Å
496	L	62.9	Low	70.2	Confident	50 Å²	50	74.3 Å²	74.3	26%	0.262	36%	0.359	S	S	.	.			trans	-82.4	112.5	-178.4	-73.7	167.6	0	0	0	110.7	E500 N620	L496-E500 HydrophobicContact CD2-CG 4.47Å; L496-N620 PolarHBondContact O-ND2 3.38Å
497	Q	67.4	Low	70.6	Confident	146 Å²	146	80.6 Å²	80.6	68%	0.682	39%	0.386	S	S	*	.			trans	-68.7	146.5	175.7	-63.2	-176	4.1	0	0	111.4	D495 M499 E500 L501	D495-Q497 PolarHBondContact O-N 3.23Å; Q497-M499 PolarHBondContact O-N 2.92Å; Q497-M499 VanDerWaalsContact O-N 3.13Å; Q497-E500 PolarHBondContact O-N 3.41Å; Q497-E500 VanDerWaalsContact O-N 3.07Å; Q497-L501 PolarHBondContact O-N 2.85Å
498	D	67.4	Low	70.8	Confident	80 Å²	80	80.1 Å²	80.1	43%	0.428	38%	0.379	S	S	.	.	H	α-helix	trans	-58.4	-31.1	-175.3	-80.1	-13.2	0	0	0	113.9	R502 N620	D498-R502 WeakPolarHBondContact O-CB 3.45Å; D498-R502 PolarHBondContact O-N 2.87Å; D498-N620 WeakPolarHBondContact OD1-CB 3.45Å; D498-N620 PolarHBondContact OD1-N 3.27Å; D498-N620 PolarHBondContact OD1-ND2 3Å
499	M	70.1	Confident	71.1	Confident	154 Å²	154	76.5 Å²	76.5	76%	0.759	36%	0.364	S	S	*	.	H	α-helix	trans	-69.3	-42.6	176.5	-71.5	-63.5	-68.7	0	0	112.5	Q497 R502 Y503	Q497-M499 PolarHBondContact O-N 2.92Å; Q497-M499 VanDerWaalsContact O-N 3.13Å; M499-R502 PolarHBondContact O-N 2.73Å; M499-Y503 PolarHBondContact O-N 3.33Å; M499-Y503 VanDerWaalsContact O-N 3.16Å
500	E	77.1	Confident	71.3	Confident	94 Å²	94	80.8 Å²	80.8	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-65.7	-42.9	175.7	-175.2	177.3	-173.5	0	0	110.3	L496 Q497 R502 Y503 L504	L496-E500 HydrophobicContact CD2-CG 4.47Å; Q497-E500 PolarHBondContact O-N 3.41Å; Q497-E500 VanDerWaalsContact O-N 3.07Å; E500-R502 PolarHBondContact O-N 3.29Å; E500-Y503 WeakPolarHBondContact O-CB 2.95Å; E500-Y503 PolarHBondContact O-N 2.92Å; E500-L504 HydrophobicContact CG-CD1 4.13Å; E500-L504 HydrophobicContact CG-CG 4.45Å; E500-L504 VanDerWaalsContact O-CG 3.32Å; E500-L504 WeakPolarHBondContact O-CG 3.38Å; E500-L504 PolarHBondContact O-N 3.45Å
501	L	73.6	Confident	71.4	Confident	2 Å²	2	89.3 Å²	89.3	1%	0.01	42%	0.421	C	S	.	.	H	α-helix	trans	-60.4	-45.1	176.7	179.1	58.7	0	0	0	112.3	Q497 Y503 L504 L505 L555	Q497-L501 PolarHBondContact O-N 2.85Å; L501-Y503 VanDerWaalsContact C-N 3.3Å; L501-Y503 PolarHBondContact O-N 3.29Å; L501-L504 PolarHBondContact O-N 3.18Å; L501-L505 HydrophobicContact CD1-CD1 3.96Å; L501-L505 HydrophobicContact CD1-CG 4.09Å; L501-L505 HydrophobicContact CG-CD1 3.92Å; L501-L505 HydrophobicContact CG-CG 4.48Å; L501-L505 WeakPolarHBondContact O-CB 3.19Å; L501-L505 VanDerWaalsContact O-CG 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.11Å; L501-L505 PolarHBondContact O-N 3.16Å; L501-L555 HydrophobicContact CD1-CB 4.17Å; L501-L555 HydrophobicContact CD1-CD1 3.71Å; L501-L555 HydrophobicContact CD2-CB 4.21Å; L501-L555 HydrophobicContact CD2-CD1 4Å; L501-L555 HydrophobicContact CD2-CD2 4.13Å; L501-L555 HydrophobicContact CD2-CG 4.36Å
502	R	75.1	Confident	72.1	Confident	120 Å²	120	88.8 Å²	88.8	45%	0.453	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-41.4	176.7	-170.3	174.5	-171.2	162.7	5.8	111.5	D498 M499 E500 Q506 E601	D498-R502 WeakPolarHBondContact O-CB 3.45Å; D498-R502 PolarHBondContact O-N 2.87Å; M499-R502 PolarHBondContact O-N 2.73Å; E500-R502 PolarHBondContact O-N 3.29Å; R502-Q506 WeakPolarHBondContact O-CB 2.94Å; R502-Q506 WeakPolarHBondContact O-CG 3.38Å; R502-Q506 PolarHBondContact O-N 3.09Å; R502-E601 IonicContact CZ-OE1 3.87Å; R502-E601 IonicContact NH2-OE1 2.82Å; R502-E601 PolarHBondContact NH2-OE1 3.2Å
503	Y	79.8	Confident	73	Confident	135 Å²	135	89.5 Å²	89.5	53%	0.529	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-46.8	176.6	178.8	-98.8	0	0	0	112.2	M499 E500 L501 L505 Q506 K507	M499-Y503 PolarHBondContact O-N 3.33Å; M499-Y503 VanDerWaalsContact O-N 3.16Å; E500-Y503 WeakPolarHBondContact O-CB 2.95Å; E500-Y503 PolarHBondContact O-N 2.92Å; L501-Y503 VanDerWaalsContact C-N 3.3Å; L501-Y503 PolarHBondContact O-N 3.29Å; Y503-L505 PolarHBondContact O-N 3.24Å; Y503-Q506 PolarHBondContact O-N 3.09Å; Y503-K507 HydrophobicContact CE1-CG 4.16Å; Y503-K507 HydrophobicContact CE2-CG 4.15Å; Y503-K507 WeakPolarHBondContact O-CB 3.46Å; Y503-K507 WeakPolarHBondContact O-CG 2.99Å; Y503-K507 PolarHBondContact O-N 3.35Å
504	L	81.4	Confident	74.4	Confident	8 Å²	8	82.2 Å²	82.2	4%	0.042	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-38.6	178.8	-66.3	174.3	0	0	0	112.3	E500 L501 K507 R508 D509 R511 I512	E500-L504 HydrophobicContact CG-CD1 4.13Å; E500-L504 HydrophobicContact CG-CG 4.45Å; E500-L504 VanDerWaalsContact O-CG 3.32Å; E500-L504 WeakPolarHBondContact O-CG 3.38Å; E500-L504 PolarHBondContact O-N 3.45Å; L501-L504 PolarHBondContact O-N 3.18Å; L504-K507 PolarHBondContact O-N 3.23Å; L504-R508 PolarHBondContact O-N 3.21Å; L504-D509 HydrophobicContact CB-CB 4.42Å; L504-D509 HydrophobicContact CD2-CB 4.03Å; L504-D509 PolarHBondContact O-N 2.95Å; L504-D509 VanDerWaalsContact O-N 3.11Å; L504-R511 VanDerWaalsContact CD2-NH2 3.27Å; L504-I512 HydrophobicContact CB-CD1 3.65Å; L504-I512 HydrophobicContact CB-CG1 4.31Å; L504-I512 HydrophobicContact CD1-CG2 4.02Å
505	L	76.9	Confident	75.6	Confident	7 Å²	7	87.2 Å²	87.2	4%	0.037	41%	0.407	C	S	.	.	H	α-helix	trans	-65.8	-44.6	175.8	-74	170.2	0	0	0	111.9	L501 Y503 K507 R508 I512 T617 Y673	L501-L505 HydrophobicContact CD1-CD1 3.96Å; L501-L505 HydrophobicContact CD1-CG 4.09Å; L501-L505 HydrophobicContact CG-CD1 3.92Å; L501-L505 HydrophobicContact CG-CG 4.48Å; L501-L505 WeakPolarHBondContact O-CB 3.19Å; L501-L505 VanDerWaalsContact O-CG 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.11Å; L501-L505 PolarHBondContact O-N 3.16Å; Y503-L505 PolarHBondContact O-N 3.24Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 3.26Å; L505-R508 PolarHBondContact O-N 3.38Å; L505-R508 VanDerWaalsContact O-N 3.15Å; L505-I512 HydrophobicContact CB-CD1 4.47Å; L505-I512 HydrophobicContact CD2-CD1 3.6Å; L505-I512 HydrophobicContact CG-CD1 3.79Å; L505-T617 HydrophobicContact CB-CG2 4.2Å; L505-T617 HydrophobicContact CD1-CG2 3.92Å; L505-Y673 HydrophobicContact CD2-CD1 4.41Å; L505-Y673 HydrophobicContact CD2-CD2 3.48Å; L505-Y673 VanDerWaalsContact CD2-CD2 3.48Å; L505-Y673 HydrophobicContact CD2-CE2 4.39Å; L505-Y673 HydrophobicContact CD2-CG 3.49Å; L505-Y673 VanDerWaalsContact CD2-CG 3.49Å
506	Q	75.2	Confident	77	Confident	106 Å²	106	80.3 Å²	80.3	50%	0.495	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-35.1	176.2	-76.5	179.9	-12.1	0	0	112.4	R502 Y503 R508	R502-Q506 WeakPolarHBondContact O-CB 2.94Å; R502-Q506 WeakPolarHBondContact O-CG 3.38Å; R502-Q506 PolarHBondContact O-N 3.09Å; Y503-Q506 PolarHBondContact O-N 3.09Å; Q506-R508 VanDerWaalsContact C-N 3.31Å
507	K	78.4	Confident	78.1	Confident	136 Å²	136	81.9 Å²	81.9	59%	0.591	38%	0.383	S	S	*	.	H	α-helix	trans	-81.9	-5.7	176.1	-68.4	-66.5	-177.7	-178.6	0	114.1	Y503 L504 L505 D509	Y503-K507 HydrophobicContact CE1-CG 4.16Å; Y503-K507 HydrophobicContact CE2-CG 4.15Å; Y503-K507 WeakPolarHBondContact O-CB 3.46Å; Y503-K507 WeakPolarHBondContact O-CG 2.99Å; Y503-K507 PolarHBondContact O-N 3.35Å; L504-K507 PolarHBondContact O-N 3.23Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 3.26Å; K507-D509 PolarHBondContact O-N 3.39Å
508	R	74.6	Confident	79.1	Confident	59 Å²	59	77.3 Å²	77.3	22%	0.223	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	44.1	-178.7	-52.9	177.2	89.3	164.8	5.7	111.3	L504 L505 Q506 N510 S558 N613 Y673	L504-R508 PolarHBondContact O-N 3.21Å; L505-R508 PolarHBondContact O-N 3.38Å; L505-R508 VanDerWaalsContact O-N 3.15Å; Q506-R508 VanDerWaalsContact C-N 3.31Å; R508-N510 PolarHBondContact O-N 3.19Å; R508-S558 PolarHBondContact NH2-OG 2.76Å; R508-N613 PolarHBondContact NH1-OD1 3.24Å; R508-Y673 WeakPolarHBondContact CB-OH 3.39Å; R508-Y673 PolarHBondContact NE-OH 2.92Å
509	D	79.9	Confident	80	Confident	39 Å²	39	77.1 Å²	77.1	21%	0.209	36%	0.363	C	S	.	.			trans	-66.6	130	-176.3	-165.3	-45.8	0	0	0	110.6	L504 K507 R511 I512	L504-D509 HydrophobicContact CB-CB 4.42Å; L504-D509 HydrophobicContact CD2-CB 4.03Å; L504-D509 PolarHBondContact O-N 2.95Å; L504-D509 VanDerWaalsContact O-N 3.11Å; K507-D509 PolarHBondContact O-N 3.39Å; D509-R511 PolarHBondContact O-N 3.29Å; D509-R511 VanDerWaalsContact O-N 3.16Å; D509-R511 VanDerWaalsContact OD1-CB 3.29Å; D509-R511 WeakPolarHBondContact OD1-CB 3.24Å; D509-R511 VanDerWaalsContact OD1-CG 3.24Å; D509-R511 WeakPolarHBondContact OD1-CG 3.41Å; D509-R511 PolarHBondContact OD1-N 3.11Å; D509-R511 IonicContact OD1-NE 3.17Å; D509-R511 PolarHBondContact OD1-NE 3.36Å; D509-R511 IonicContact OD2-CZ 3.28Å; D509-R511 VanDerWaalsContact OD2-CZ 3.28Å; D509-R511 IonicContact OD2-NE 3Å; D509-R511 PolarHBondContact OD2-NE 3.4Å; D509-R511 IonicContact OD2-NH2 2.72Å; D509-R511 PolarHBondContact OD2-NH2 3.29Å; D509-I512 VanDerWaalsContact O-CG1 3.26Å; D509-I512 WeakPolarHBondContact O-CG1 3.37Å; D509-I512 PolarHBondContact O-N 3.5Å
510	N	80.4	Confident	80.7	Confident	119 Å²	119	71.1 Å²	71.1	64%	0.636	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-64.1	-20.1	-178.8	-71.7	-20.5	0	0	0	112.8	R508 I512 S513	R508-N510 PolarHBondContact O-N 3.19Å; N510-I512 PolarHBondContact O-N 3.06Å; N510-S513 WeakPolarHBondContact CA-OG 3.44Å; N510-S513 PolarHBondContact O-N 2.92Å; N510-S513 VanDerWaalsContact O-N 3.08Å; N510-S513 PolarHBondContact O-OG 3.11Å
511	R	79.1	Confident	81	Confident	183 Å²	183	74.4 Å²	74.4	69%	0.691	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-60.9	-30.3	177.9	-70.2	-178.7	-70.4	163	-2.3	113.6	L504 D509	L504-R511 VanDerWaalsContact CD2-NH2 3.27Å; D509-R511 PolarHBondContact O-N 3.29Å; D509-R511 VanDerWaalsContact O-N 3.16Å; D509-R511 VanDerWaalsContact OD1-CB 3.29Å; D509-R511 WeakPolarHBondContact OD1-CB 3.24Å; D509-R511 VanDerWaalsContact OD1-CG 3.24Å; D509-R511 WeakPolarHBondContact OD1-CG 3.41Å; D509-R511 PolarHBondContact OD1-N 3.11Å; D509-R511 IonicContact OD1-NE 3.17Å; D509-R511 PolarHBondContact OD1-NE 3.36Å; D509-R511 IonicContact OD2-CZ 3.28Å; D509-R511 VanDerWaalsContact OD2-CZ 3.28Å; D509-R511 IonicContact OD2-NE 3Å; D509-R511 PolarHBondContact OD2-NE 3.4Å; D509-R511 IonicContact OD2-NH2 2.72Å; D509-R511 PolarHBondContact OD2-NH2 3.29Å
512	I	82.9	Confident	81.2	Confident	10 Å²	10	76.8 Å²	76.8	5%	0.051	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-104.2	7.4	177.4	59.2	163.2	0	0	0	111.9	L504 L505 D509 N510 Y673 G674	L504-I512 HydrophobicContact CB-CD1 3.65Å; L504-I512 HydrophobicContact CB-CG1 4.31Å; L504-I512 HydrophobicContact CD1-CG2 4.02Å; L505-I512 HydrophobicContact CB-CD1 4.47Å; L505-I512 HydrophobicContact CD2-CD1 3.6Å; L505-I512 HydrophobicContact CG-CD1 3.79Å; D509-I512 VanDerWaalsContact O-CG1 3.26Å; D509-I512 WeakPolarHBondContact O-CG1 3.37Å; D509-I512 PolarHBondContact O-N 3.5Å; N510-I512 PolarHBondContact O-N 3.06Å; I512-Y673 HydrophobicContact CD1-CD1 4.21Å; I512-Y673 HydrophobicContact CD1-CG 4.35Å; I512-Y673 HydrophobicContact CG1-CD1 4.01Å; I512-Y673 CarbonylContact O-C 3.6Å; I512-Y673 WeakPolarHBondContact O-CA 3.44Å; I512-Y673 WeakPolarHBondContact O-CB 3.37Å; I512-G674 CarbonylContact C-O 3.6Å; I512-G674 PolarHBondContact O-N 2.98Å; I512-G674 VanDerWaalsContact O-O 3.1Å
513	S	83.9	Confident	81.6	Confident	46 Å²	46	71.2 Å²	71.2	32%	0.322	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.2	179.8	73.7	0	0	0	0	110.7	N510	N510-S513 WeakPolarHBondContact CA-OG 3.44Å; N510-S513 PolarHBondContact O-N 2.92Å; N510-S513 VanDerWaalsContact O-N 3.08Å; N510-S513 PolarHBondContact O-OG 3.11Å
514	I	86.4	Confident	81.9	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.087	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.9	170.9	-63.1	170.3	0	0	0	107.5	G516 H552 F626 V672 G674	I514-G516 PolarHBondContact O-N 3.04Å; I514-H552 HydrophobicContact CD1-CB 4.11Å; I514-F626 HydrophobicContact CB-CZ 4.03Å; I514-F626 HydrophobicContact CD1-CE1 3.47Å; I514-F626 VanDerWaalsContact CD1-CE1 3.47Å; I514-F626 HydrophobicContact CD1-CZ 3.49Å; I514-F626 VanDerWaalsContact CD1-CZ 3.49Å; I514-F626 HydrophobicContact CG1-CZ 4.37Å; I514-F626 HydrophobicContact CG2-CZ 3.88Å; I514-V672 PolarHBondContact N-O 2.87Å; I514-G674 VanDerWaalsContact CD1-C 3.47Å
515	H	82.4	Confident	82.2	Confident	154 Å²	154	76.4 Å²	76.4	71%	0.713	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-63	125.3	176	-172.9	73.2	0	0	0	109.9
516	G	82.8	Confident	82.7	Confident	21 Å²	21	80.3 Å²	80.3	22%	0.216	39%	0.391	C	S	.	.			trans	-129.8	136.2	177.7	0	0	0	0	0	111.2	I514 K542	I514-G516 PolarHBondContact O-N 3.04Å; G516-K542 CarbonylContact C-O 3.52Å; G516-K542 WeakPolarHBondContact CA-O 3.04Å
517	I	85.4	Confident	83.3	Confident	84 Å²	84	79.4 Å²	79.4	43%	0.431	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.1	176.1	-56.7	172.6	0	0	0	108.1	V519 L541 K542	I517-V519 HydrophobicContact CG2-CG2 4.17Å; I517-L541 WeakPolarHBondContact O-CA 3.39Å; I517-K542 PolarHBondContact N-O 3.14Å; I517-K542 PolarHBondContact O-N 3.29Å
518	F	88	Confident	83.7	Confident	49 Å²	49	77.4 Å²	77.4	22%	0.215	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.1	174.6	176.5	-94.8	0	0	0	110.9	V523 L525 L539 T540 L541 I670	F518-V523 WeakPolarHBondContact CE1-O 3.42Å; F518-L525 HydrophobicContact CB-CD1 3.83Å; F518-L525 HydrophobicContact CD1-CD1 3.86Å; F518-L525 HydrophobicContact CD1-CD2 4.35Å; F518-L525 HydrophobicContact CD1-CG 3.69Å; F518-L525 HydrophobicContact CD2-CD1 4.09Å; F518-L525 HydrophobicContact CD2-CD2 4Å; F518-L525 HydrophobicContact CD2-CG 4.13Å; F518-L525 HydrophobicContact CE1-CD1 4.46Å; F518-L525 HydrophobicContact CE1-CD2 4.18Å; F518-L525 HydrophobicContact CE1-CG 3.79Å; F518-L525 HydrophobicContact CE2-CD2 3.79Å; F518-L525 HydrophobicContact CE2-CG 4.19Å; F518-L525 HydrophobicContact CG-CD1 3.65Å; F518-L525 HydrophobicContact CG-CD2 4.26Å; F518-L525 HydrophobicContact CG-CG 3.86Å; F518-L525 HydrophobicContact CZ-CD2 3.89Å; F518-L525 HydrophobicContact CZ-CG 4.03Å; F518-L539 HydrophobicContact CE2-CB 3.97Å; F518-L539 HydrophobicContact CE2-CD2 4.05Å; F518-L539 HydrophobicContact CZ-CD2 3.91Å; F518-T540 CarbonylContact C-O 3.58Å; F518-T540 WeakPolarHBondContact CA-O 3.26Å; F518-L541 HydrophobicContact CB-CD1 4.33Å; F518-I670 HydrophobicContact CD2-CD1 3.83Å; F518-I670 HydrophobicContact CD2-CG1 4.31Å; F518-I670 HydrophobicContact CE2-CD1 3.55Å; F518-I670 HydrophobicContact CE2-CG1 4.37Å
519	V	86.7	Confident	84.3	Confident	77 Å²	77	76 Å²	76	47%	0.467	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118	178.4	-175.3	0	0	0	0	108.5	I517 T540	I517-V519 HydrophobicContact CG2-CG2 4.17Å; V519-T540 PolarHBondContact N-O 3.42Å; V519-T540 WeakPolarHBondContact O-CA 3.26Å; V519-T540 VanDerWaalsContact O-CB 3.31Å; V519-T540 WeakPolarHBondContact O-CB 3.3Å; V519-T540 PolarHBondContact O-N 3.41Å
520	S	85.4	Confident	84.4	Confident	27 Å²	27	75.6 Å²	75.6	19%	0.189	37%	0.372	C	S	.	.			trans	-150.3	141	171.9	-177.8	0	0	0	0	110.1	D522 V523 L538	S520-D522 PolarHBondContact OG-N 2.79Å; S520-V523 WeakPolarHBondContact CB-O 3.29Å; S520-V523 PolarHBondContact OG-N 3.01Å; S520-L538 WeakPolarHBondContact CB-O 3.44Å; S520-L538 PolarHBondContact OG-O 3.49Å
521	N	82	Confident	84.2	Confident	163 Å²	163	70.2 Å²	70.2	87%	0.872	34%	0.343	S	S	*	.	S	Bend	trans	-86.6	-24.7	173.1	-67.7	-24.3	0	0	0	111.9
522	D	78.9	Confident	83.8	Confident	52 Å²	52	62.4 Å²	62.4	28%	0.278	32%	0.317	S	S	.	.	S	Bend	trans	-97.7	-33.3	-170.3	-57	-57.3	0	0	0	112.4	S520 R534 M537 L538	S520-D522 PolarHBondContact OG-N 2.79Å; D522-R534 IonicContact OD1-CZ 3.46Å; D522-R534 IonicContact OD1-NE 2.65Å; D522-R534 IonicContact OD1-NH1 3.11Å; D522-R534 PolarHBondContact OD1-NH1 3.02Å; D522-M537 HydrophobicContact CB-CB 4.33Å; D522-M537 HydrophobicContact CB-CG 4.28Å; D522-L538 PolarHBondContact OD2-N 3.24Å
523	V	82.8	Confident	83.1	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.024	35%	0.351	C	S	.	.			trans	-130.8	136.4	-170.9	179.6	0	0	0	0	111	F518 S520 F529 M537 L539 I667	F518-V523 WeakPolarHBondContact CE1-O 3.42Å; S520-V523 WeakPolarHBondContact CB-O 3.29Å; S520-V523 PolarHBondContact OG-N 3.01Å; V523-F529 HydrophobicContact CB-CE1 4.37Å; V523-F529 HydrophobicContact CG1-CD1 3.69Å; V523-F529 HydrophobicContact CG1-CE1 3.44Å; V523-F529 VanDerWaalsContact CG1-CE1 3.44Å; V523-F529 HydrophobicContact CG1-CZ 4.11Å; V523-F529 HydrophobicContact CG2-CD1 4.18Å; V523-F529 HydrophobicContact CG2-CD2 4.21Å; V523-F529 HydrophobicContact CG2-CE1 3.97Å; V523-F529 HydrophobicContact CG2-CE2 4.01Å; V523-F529 HydrophobicContact CG2-CG 4.3Å; V523-F529 HydrophobicContact CG2-CZ 3.87Å; V523-M537 HydrophobicContact CG2-CB 4.42Å; V523-M537 HydrophobicContact CG2-SD 3.75Å; V523-L539 HydrophobicContact CB-CD2 3.65Å; V523-L539 HydrophobicContact CG1-CD2 4.18Å; V523-L539 HydrophobicContact CG2-CD2 3.97Å; V523-I667 HydrophobicContact CG1-CD1 4.22Å
524	R	85.9	Confident	82.3	Confident	196 Å²	196	76.7 Å²	76.7	74%	0.74	36%	0.363	S	S	*	.			trans	-105.1	135.8	168.7	-65	-175.1	-178.8	-171.8	0.9	109.6	N527	R524-N527 HydrophobicContact CB-CB 4.38Å; R524-N527 PolarHBondContact O-N 3.08Å
525	L	87.6	Confident	81.4	Confident	56 Å²	56	81.6 Å²	81.6	29%	0.293	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	145.2	175	-62.3	177.9	0	0	0	110.4	F518 N527 I667 I670	F518-L525 HydrophobicContact CB-CD1 3.83Å; F518-L525 HydrophobicContact CD1-CD1 3.86Å; F518-L525 HydrophobicContact CD1-CD2 4.35Å; F518-L525 HydrophobicContact CD1-CG 3.69Å; F518-L525 HydrophobicContact CD2-CD1 4.09Å; F518-L525 HydrophobicContact CD2-CD2 4Å; F518-L525 HydrophobicContact CD2-CG 4.13Å; F518-L525 HydrophobicContact CE1-CD1 4.46Å; F518-L525 HydrophobicContact CE1-CD2 4.18Å; F518-L525 HydrophobicContact CE1-CG 3.79Å; F518-L525 HydrophobicContact CE2-CD2 3.79Å; F518-L525 HydrophobicContact CE2-CG 4.19Å; F518-L525 HydrophobicContact CG-CD1 3.65Å; F518-L525 HydrophobicContact CG-CD2 4.26Å; F518-L525 HydrophobicContact CG-CG 3.86Å; F518-L525 HydrophobicContact CZ-CD2 3.89Å; F518-L525 HydrophobicContact CZ-CG 4.03Å; L525-N527 PolarHBondContact O-N 3.36Å; L525-I667 HydrophobicContact CD2-CB 4.44Å; L525-I667 HydrophobicContact CD2-CG2 3.82Å; L525-I670 HydrophobicContact CD2-CD1 4.19Å; L525-I670 HydrophobicContact CD2-CG1 3.8Å
526	N	87.5	Confident	81	Confident	89 Å²	89	80.8 Å²	80.8	48%	0.476	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	17	-177.9	-68.9	-48.1	0	0	0	116.4	K666 I667 N668	N526-K666 WeakPolarHBondContact O-CE 3.29Å; N526-I667 PolarHBondContact N-O 2.77Å; N526-N668 PolarHBondContact ND2-O 2.91Å; N526-N668 VanDerWaalsContact OD1-CA 3.22Å; N526-N668 WeakPolarHBondContact OD1-CA 3.36Å; N526-N668 PolarHBondContact OD1-O 3.09Å; N526-N668 PolarHBondContact OD1-OD1 3.21Å
527	N	88.9	Confident	81	Confident	86 Å²	86	80.4 Å²	80.4	46%	0.46	37%	0.367	S	S	.	.			trans	-116	145.8	172.4	-72.4	-16.2	0	0	0	111.9	R524 L525	R524-N527 HydrophobicContact CB-CB 4.38Å; R524-N527 PolarHBondContact O-N 3.08Å; L525-N527 PolarHBondContact O-N 3.36Å
528	W	86.4	Confident	81.1	Confident	95 Å²	95	78.9 Å²	78.9	36%	0.36	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.2	171.7	-69.3	100.5	0	0	0	110.1	C562 T564 Y609 Y664 M665 K666	W528-C562 HydrophobicContact CH2-CB 4.07Å; W528-T564 HydrophobicContact CE3-CG2 4.28Å; W528-T564 HydrophobicContact CH2-CG2 4.2Å; W528-T564 HydrophobicContact CZ3-CG2 3.85Å; W528-Y609 HydrophobicContact CH2-CD1 4.18Å; W528-Y609 HydrophobicContact CZ2-CD1 4.05Å; W528-Y609 HydrophobicContact CZ2-CE1 4.13Å; W528-Y609 HydrophobicContact CZ2-CG 4.34Å; W528-Y664 WeakPolarHBondContact CZ3-O 3.23Å; W528-M665 WeakPolarHBondContact CA-O 3.47Å; W528-K666 HydrophobicContact CD2-CB 3.61Å; W528-K666 HydrophobicContact CD2-CD 4.24Å; W528-K666 HydrophobicContact CD2-CG 4.42Å; W528-K666 HydrophobicContact CE3-CB 3.54Å; W528-K666 HydrophobicContact CG-CB 4.16Å; W528-K666 HydrophobicContact CG-CD 4.47Å; W528-K666 HydrophobicContact CH2-CB 4.16Å; W528-K666 HydrophobicContact CZ2-CB 4.22Å; W528-K666 HydrophobicContact CZ2-CD 4.2Å; W528-K666 HydrophobicContact CZ3-CB 3.82Å
529	F	86.1	Confident	81.2	Confident	28 Å²	28	76.5 Å²	76.5	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.8	175.9	64.9	-88.5	0	0	0	110.7	V523 P531 M537 L633 M665 I667	V523-F529 HydrophobicContact CB-CE1 4.37Å; V523-F529 HydrophobicContact CG1-CD1 3.69Å; V523-F529 HydrophobicContact CG1-CE1 3.44Å; V523-F529 VanDerWaalsContact CG1-CE1 3.44Å; V523-F529 HydrophobicContact CG1-CZ 4.11Å; V523-F529 HydrophobicContact CG2-CD1 4.18Å; V523-F529 HydrophobicContact CG2-CD2 4.21Å; V523-F529 HydrophobicContact CG2-CE1 3.97Å; V523-F529 HydrophobicContact CG2-CE2 4.01Å; V523-F529 HydrophobicContact CG2-CG 4.3Å; V523-F529 HydrophobicContact CG2-CZ 3.87Å; F529-P531 HydrophobicContact CE2-CB 4.26Å; F529-P531 WeakPolarHBondContact O-CD 3.28Å; F529-M537 HydrophobicContact CD2-CE 3.94Å; F529-M537 HydrophobicContact CD2-SD 3.8Å; F529-M537 HydrophobicContact CE2-CE 4.02Å; F529-M537 HydrophobicContact CE2-SD 3.38Å; F529-M537 WeakPolarHBondContact CE2-SD 3.41Å; F529-M537 HydrophobicContact CZ-SD 4.27Å; F529-L633 HydrophobicContact CE2-CD2 4.39Å; F529-L633 HydrophobicContact CZ-CD2 3.99Å; F529-M665 VanDerWaalsContact CD1-O 3.23Å; F529-M665 WeakPolarHBondContact CD1-O 3.44Å; F529-M665 HydrophobicContact CE1-CB 4.37Å; F529-M665 HydrophobicContact CE1-CG 4.47Å; F529-M665 WeakPolarHBondContact CE1-O 3.47Å; F529-M665 HydrophobicContact CE2-CB 4.18Å; F529-M665 HydrophobicContact CZ-CB 3.97Å; F529-M665 HydrophobicContact CZ-CG 4.05Å; F529-M665 HydrophobicContact CZ-SD 3.98Å; F529-M665 PolarHBondContact N-O 3.17Å; F529-M665 PolarHBondContact O-N 2.86Å; F529-I667 HydrophobicContact CE1-CD1 4.33Å; F529-I667 HydrophobicContact CE1-CG1 4.11Å; F529-I667 HydrophobicContact CZ-CD1 4.3Å; F529-I667 HydrophobicContact CZ-CG1 4.36Å
530	D	82.4	Confident	81.4	Confident	31 Å²	31	73.9 Å²	73.9	17%	0.166	33%	0.333	C	S	.	.			trans	-91	114.5	175.5	-174.8	-14.8	0	0	0	109.6	S532 W533 Y664	D530-S532 PolarHBondContact O-N 2.88Å; D530-S532 VanDerWaalsContact OD1-CB 3.26Å; D530-S532 WeakPolarHBondContact OD1-CB 3.48Å; D530-S532 PolarHBondContact OD1-N 3.45Å; D530-S532 PolarHBondContact OD1-OG 3.19Å; D530-S532 PolarHBondContact OD2-OG 3.48Å; D530-S532 VanDerWaalsContact OD2-OG 3.13Å; D530-W533 HydrophobicContact CB-CD2 4.1Å; D530-W533 HydrophobicContact CB-CG 4.36Å; D530-W533 HydrophobicContact CB-CZ2 4.1Å; D530-W533 PolarHBondContact OD2-NE1 3.41Å; D530-Y664 HydrophobicContact CB-CD1 4.19Å; D530-Y664 HydrophobicContact CB-CE1 4.04Å
531	P	76.1	Confident	81.6	Confident	6 Å²	6	72.9 Å²	72.9	4%	0.039	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-74.2	-8.5	-179.2	28.2	-30.4	0	0	0	114.2	F529 M537 L569 S635 M665	F529-P531 HydrophobicContact CE2-CB 4.26Å; F529-P531 WeakPolarHBondContact O-CD 3.28Å; P531-M537 HydrophobicContact CB-CE 4.5Å; P531-L569 HydrophobicContact CG-CD1 3.41Å; P531-L569 VanDerWaalsContact CG-CD1 3.41Å; P531-L569 HydrophobicContact CG-CD2 4.15Å; P531-L569 HydrophobicContact CG-CG 4.38Å; P531-S635 WeakPolarHBondContact CB-OG 3.31Å; P531-M665 HydrophobicContact CG-CB 4.36Å; P531-M665 HydrophobicContact CG-CE 4.45Å
532	S	70.3	Confident	81.9	Confident	19 Å²	19	67.8 Å²	67.8	13%	0.133	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-76	-21.2	-178.4	69.6	0	0	0	0	113.8	D530 R534	D530-S532 PolarHBondContact O-N 2.88Å; D530-S532 VanDerWaalsContact OD1-CB 3.26Å; D530-S532 WeakPolarHBondContact OD1-CB 3.48Å; D530-S532 PolarHBondContact OD1-N 3.45Å; D530-S532 PolarHBondContact OD1-OG 3.19Å; D530-S532 PolarHBondContact OD2-OG 3.48Å; D530-S532 VanDerWaalsContact OD2-OG 3.13Å; S532-R534 VanDerWaalsContact C-N 3.28Å; S532-R534 PolarHBondContact O-N 3.05Å
533	W	68.4	Low	82.1	Confident	203 Å²	203	65.6 Å²	65.6	77%	0.769	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-71.9	-18.3	-172.4	-63.7	-2.9	0	0	0	114.1	D530	D530-W533 HydrophobicContact CB-CD2 4.1Å; D530-W533 HydrophobicContact CB-CG 4.36Å; D530-W533 HydrophobicContact CB-CZ2 4.1Å; D530-W533 PolarHBondContact OD2-NE1 3.41Å
534	R	68.7	Low	81.5	Confident	153 Å²	153	67.7 Å²	67.7	58%	0.577	30%	0.296	S	S	*	.			trans	-143.6	138.2	177.2	-73.7	-169.3	173.1	-161.5	-7.1	112.3	D522 S532 R536	D522-R534 IonicContact OD1-CZ 3.46Å; D522-R534 IonicContact OD1-NE 2.65Å; D522-R534 IonicContact OD1-NH1 3.11Å; D522-R534 PolarHBondContact OD1-NH1 3.02Å; S532-R534 VanDerWaalsContact C-N 3.28Å; S532-R534 PolarHBondContact O-N 3.05Å; R534-R536 VanDerWaalsContact C-N 3.27Å; R534-R536 PolarHBondContact O-N 2.88Å
535	K	67.2	Low	80.3	Confident	120 Å²	120	65 Å²	65	52%	0.522	29%	0.289	S	S	.	.	S	Bend	trans	-58.3	-33.6	178.5	-120.8	156.1	-153.3	-158.8	0	113.3	L653	K535-L653 HydrophobicContact CB-CD1 3.68Å; K535-L653 HydrophobicContact CD-CD1 3.86Å; K535-L653 HydrophobicContact CG-CB 4.43Å; K535-L653 HydrophobicContact CG-CD1 3.41Å; K535-L653 VanDerWaalsContact CG-CD1 3.41Å; K535-L653 HydrophobicContact CG-CG 4.49Å
536	R	72.4	Confident	78.8	Confident	138 Å²	138	71.4 Å²	71.4	52%	0.521	31%	0.311	S	S	.	.			trans	-147.5	126.4	-177.7	-59.5	-177.3	-173.2	-179.7	2.2	109.1	R534 Y632 R634	R534-R536 VanDerWaalsContact C-N 3.27Å; R534-R536 PolarHBondContact O-N 2.88Å; R536-Y632 HydrophobicContact CB-CD1 4.27Å; R536-R634 HydrophobicContact CG-CG 4.17Å; R536-R634 VanDerWaalsContact NE-CZ 3.26Å; R536-R634 VanDerWaalsContact NE-NH2 3.19Å; R536-R634 VanDerWaalsContact NH2-NH2 3.2Å
537	M	84.9	Confident	77.4	Confident	13 Å²	13	73.1 Å²	73.1	6%	0.064	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.8	173.3	-63.9	178.3	177.8	0	0	109.2	D522 V523 F529 P531 Y632 L633	D522-M537 HydrophobicContact CB-CB 4.33Å; D522-M537 HydrophobicContact CB-CG 4.28Å; V523-M537 HydrophobicContact CG2-CB 4.42Å; V523-M537 HydrophobicContact CG2-SD 3.75Å; F529-M537 HydrophobicContact CD2-CE 3.94Å; F529-M537 HydrophobicContact CD2-SD 3.8Å; F529-M537 HydrophobicContact CE2-CE 4.02Å; F529-M537 HydrophobicContact CE2-SD 3.38Å; F529-M537 WeakPolarHBondContact CE2-SD 3.41Å; F529-M537 HydrophobicContact CZ-SD 4.27Å; P531-M537 HydrophobicContact CB-CE 4.5Å; M537-Y632 WeakPolarHBondContact O-CA 3.46Å; M537-L633 HydrophobicContact CB-CB 4.41Å; M537-L633 PolarHBondContact N-O 3.2Å; M537-L633 PolarHBondContact O-N 3.08Å
538	L	87.4	Confident	76.2	Confident	51 Å²	51	72.2 Å²	72.2	27%	0.267	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.5	-178.7	178.8	60.3	0	0	0	110.6	S520 D522 H630 Y632	S520-L538 WeakPolarHBondContact CB-O 3.44Å; S520-L538 PolarHBondContact OG-O 3.49Å; D522-L538 PolarHBondContact OD2-N 3.24Å; L538-H630 HydrophobicContact CD1-CB 3.87Å; L538-Y632 HydrophobicContact CB-CE1 4.37Å; L538-Y632 HydrophobicContact CD1-CD1 4.42Å; L538-Y632 HydrophobicContact CD1-CD2 4.25Å; L538-Y632 HydrophobicContact CD1-CE1 4Å; L538-Y632 HydrophobicContact CD1-CE2 3.8Å
539	L	89.6	Confident	75.9	Confident	0 Å²	0	71 Å²	71	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.2	174.4	-46	168.2	0	0	0	107.7	F518 V523 H630 F631 L633 I667 I670	F518-L539 HydrophobicContact CE2-CB 3.97Å; F518-L539 HydrophobicContact CE2-CD2 4.05Å; F518-L539 HydrophobicContact CZ-CD2 3.91Å; V523-L539 HydrophobicContact CB-CD2 3.65Å; V523-L539 HydrophobicContact CG1-CD2 4.18Å; V523-L539 HydrophobicContact CG2-CD2 3.97Å; L539-H630 CarbonylContact O-C 3.57Å; L539-F631 HydrophobicContact CB-CB 4.12Å; L539-F631 HydrophobicContact CD1-CB 4.36Å; L539-F631 PolarHBondContact N-O 3.29Å; L539-F631 PolarHBondContact O-N 3.18Å; L539-L633 HydrophobicContact CD1-CB 4.45Å; L539-I667 HydrophobicContact CD1-CD1 3.43Å; L539-I667 VanDerWaalsContact CD1-CD1 3.43Å; L539-I667 HydrophobicContact CD2-CD1 4.22Å; L539-I667 HydrophobicContact CG-CD1 4.48Å; L539-I670 HydrophobicContact CB-CD1 4.31Å; L539-I670 HydrophobicContact CD1-CD1 4.09Å
540	T	89.9	Confident	75.7	Confident	21 Å²	21	73 Å²	73	13%	0.129	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.6	-177.7	-59	0	0	0	0	110.3	F518 V519 T628 V629 H630	F518-T540 CarbonylContact C-O 3.58Å; F518-T540 WeakPolarHBondContact CA-O 3.26Å; V519-T540 PolarHBondContact N-O 3.42Å; V519-T540 WeakPolarHBondContact O-CA 3.26Å; V519-T540 VanDerWaalsContact O-CB 3.31Å; V519-T540 WeakPolarHBondContact O-CB 3.3Å; V519-T540 PolarHBondContact O-N 3.41Å; T540-T628 HydrophobicContact CG2-CG2 3.25Å; T540-V629 CarbonylContact C-O 3.59Å; T540-V629 WeakPolarHBondContact CA-O 3.16Å; T540-H630 WeakPolarHBondContact CG2-ND1 3.46Å; T540-H630 PolarHBondContact OG1-ND1 2.82Å
541	L	89.9	Confident	75.9	Confident	7 Å²	7	71.6 Å²	71.6	4%	0.037	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.4	171.3	-164	79.6	0	0	0	109.1	I517 F518 T628 V629 F631 V672	I517-L541 WeakPolarHBondContact O-CA 3.39Å; F518-L541 HydrophobicContact CB-CD1 4.33Å; L541-T628 CarbonylContact O-C 3.4Å; L541-T628 WeakPolarHBondContact O-CA 3.08Å; L541-V629 PolarHBondContact N-O 2.78Å; L541-V629 PolarHBondContact O-N 3.01Å; L541-F631 HydrophobicContact CB-CE2 4.46Å; L541-V672 HydrophobicContact CD2-CB 3.79Å; L541-V672 HydrophobicContact CD2-CG2 3.34Å
542	K	88.6	Confident	76.5	Confident	56 Å²	56	72 Å²	72	24%	0.243	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.2	180	-175.2	169	-176.9	165.3	0	111	G516 I517 N544 E627	G516-K542 CarbonylContact C-O 3.52Å; G516-K542 WeakPolarHBondContact CA-O 3.04Å; I517-K542 PolarHBondContact N-O 3.14Å; I517-K542 PolarHBondContact O-N 3.29Å; K542-N544 WeakPolarHBondContact CE-O 3.48Å; K542-E627 WeakPolarHBondContact CA-O 3.47Å
543	S	82.2	Confident	77.3	Confident	5 Å²	5	71.1 Å²	71.1	4%	0.035	31%	0.312	C	S	.	.	S	Bend	trans	-67.7	-42.8	-173.9	65.8	0	0	0	0	113.3	H552 E627	S543-H552 PolarHBondContact OG-CD2 3.01Å; S543-E627 PolarHBondContact N-O 3.04Å; S543-E627 PolarHBondContact OG-O 2.82Å
544	N	71.3	Confident	78.3	Confident	48 Å²	48	61.4 Å²	61.4	26%	0.257	28%	0.276	S	S	.	.			trans	-164.4	151.5	171.3	-149.2	-38.9	0	0	0	112.3	K542 Y546	K542-N544 WeakPolarHBondContact CE-O 3.48Å; N544-Y546 PolarHBondContact OD1-N 3.11Å; N544-Y546 VanDerWaalsContact OD1-N 3.1Å
545	K	59.5	Low	79.2	Confident	140 Å²	140	54.3 Å²	54.3	61%	0.609	25%	0.249	S	C	*	.	S	Bend	trans	-99.4	-15	174.1	-170.8	177.5	177.9	-172.9	0	112.9
546	Y	56.3	Low	80.2	Confident	191 Å²	191	48.6 Å²	48.6	75%	0.749	22%	0.224	S	C	*	.	S	Bend	trans	-128.5	4.9	-163.2	-66.1	-77.2	0	0	0	116.7	N544	N544-Y546 PolarHBondContact OD1-N 3.11Å; N544-Y546 VanDerWaalsContact OD1-N 3.1Å
547	K	57.9	Low	81.1	Confident	125 Å²	125	42.1 Å²	42.1	54%	0.543	20%	0.2	S	C	.	.			trans	-111.6	105.9	177.3	-69.4	-170.3	177.6	-173.4	0	111.1	R735	K547-R735 PolarHBondContact O-NH1 3.43Å
548	S	65.4	Low	81.3	Confident	66 Å²	66	41.6 Å²	41.6	46%	0.462	20%	0.198	S	C	.	.	S	Bend	trans	-73.8	-32.2	173.4	45.3	0	0	0	0	112.5	H550 F679	S548-H550 VanDerWaalsContact C-N 3.31Å; S548-H550 PolarHBondContact O-N 2.72Å; S548-F679 WeakPolarHBondContact O-CD1 3.34Å
549	N	78.3	Confident	81.5	Confident	70 Å²	70	39.2 Å²	39.2	37%	0.374	19%	0.185	S	C	.	.	S	Bend	trans	-91.1	13	-164.8	-56.2	12	0	0	0	114.3	F679	N549-F679 CarbonylContact C-O 3.53Å; N549-F679 WeakPolarHBondContact CA-O 3.26Å; N549-F679 PolarHBondContact O-N 3.07Å; N549-F679 VanDerWaalsContact O-O 3.07Å
550	H	83.6	Confident	81.5	Confident	69 Å²	69	41 Å²	41	32%	0.319	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.5	177.9	-67.8	70.3	0	0	0	110.5	S548 M677	S548-H550 VanDerWaalsContact C-N 3.31Å; S548-H550 PolarHBondContact O-N 2.72Å; H550-M677 WeakPolarHBondContact CA-O 3.38Å
551	V	86.5	Confident	81.5	Confident	2 Å²	2	40 Å²	40	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.4	172.9	176.1	0	0	0	0	108.4	F580 F625 M677 F679	V551-F580 HydrophobicContact CG1-CD1 4.37Å; V551-F580 HydrophobicContact CG1-CE1 3.76Å; V551-F580 HydrophobicContact CG2-CE1 4.45Å; V551-F625 HydrophobicContact CB-CE1 4.48Å; V551-F625 HydrophobicContact CG1-CD1 3.26Å; V551-F625 HydrophobicContact CG1-CE1 3.46Å; V551-F625 VanDerWaalsContact CG1-CE1 3.46Å; V551-F625 HydrophobicContact CG1-CG 4.2Å; V551-M677 PolarHBondContact N-O 2.85Å; V551-M677 PolarHBondContact O-N 2.98Å; V551-F679 HydrophobicContact CB-CB 4.49Å; V551-F679 HydrophobicContact CG2-CB 3.74Å; V551-F679 HydrophobicContact CG2-CD1 4.3Å; V551-F679 HydrophobicContact CG2-CD2 4.01Å; V551-F679 HydrophobicContact CG2-CG 3.75Å
552	H	87.4	Confident	81.4	Confident	15 Å²	15	39.8 Å²	39.8	7%	0.069	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.2	-173.9	-59.7	-73.3	0	0	0	111.9	I514 S543 F625 F626 S676	I514-H552 HydrophobicContact CD1-CB 4.11Å; S543-H552 PolarHBondContact OG-CD2 3.01Å; H552-F625 WeakPolarHBondContact O-CA 3.42Å; H552-F626 HydrophobicContact CB-CD1 3.95Å; H552-F626 HydrophobicContact CB-CE1 3.52Å; H552-F626 HydrophobicContact CB-CZ 3.88Å; H552-F626 WeakPolarHBondContact CB-O 3.39Å; H552-F626 PolarHBondContact O-N 3.42Å; H552-S676 PolarHBondContact CE1-OG 3.2Å; H552-S676 PolarHBondContact ND1-OG 3.49Å
553	M	87.9	Confident	81.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.4	175.5	-173.8	66.9	60	0	0	110.1	L555 K623 T624 F625 G674 Y675 M677 L717	M553-L555 HydrophobicContact CG-CD2 4.44Å; M553-K623 HydrophobicContact CG-CB 4.1Å; M553-K623 HydrophobicContact CG-CD 4.14Å; M553-K623 HydrophobicContact CG-CG 4.39Å; M553-K623 HydrophobicContact SD-CB 3.84Å; M553-K623 HydrophobicContact SD-CD 4.07Å; M553-K623 HydrophobicContact SD-CG 3.84Å; M553-T624 PolarHBondContact SD-N 2.89Å; M553-T624 VanDerWaalsContact SD-N 3.42Å; M553-T624 VanDerWaalsContact SD-O 3.35Å; M553-F625 HydrophobicContact CE-CD1 4.09Å; M553-F625 HydrophobicContact CE-CE1 3.84Å; M553-F625 HydrophobicContact CE-CZ 4.27Å; M553-G674 WeakPolarHBondContact O-CA 3.31Å; M553-Y675 HydrophobicContact CB-CD1 4.02Å; M553-Y675 HydrophobicContact CB-CD2 4.28Å; M553-Y675 HydrophobicContact CB-CE1 3.7Å; M553-Y675 HydrophobicContact CB-CE2 3.98Å; M553-Y675 HydrophobicContact CB-CG 4.3Å; M553-Y675 HydrophobicContact CG-CD1 4.3Å; M553-Y675 HydrophobicContact CG-CE1 3.58Å; M553-Y675 HydrophobicContact CG-CE2 4.44Å; M553-Y675 PolarHBondContact N-O 2.88Å; M553-Y675 PolarHBondContact O-N 3.41Å; M553-M677 HydrophobicContact CB-SD 4.33Å; M553-M677 HydrophobicContact CE-SD 3.67Å; M553-L717 HydrophobicContact CE-CD1 3.57Å; M553-L717 HydrophobicContact CE-CD2 4.21Å; M553-L717 HydrophobicContact CE-CG 4.49Å; M553-L717 HydrophobicContact SD-CD2 4.47Å
554	L	88.6	Confident	81.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.1	177.2	-179.4	65.8	0	0	0	110.3	G556 M557 I577 M590 L618 K623 T624 F626 V672	L554-G556 WeakPolarHBondContact CD1-O 3.24Å; L554-M557 HydrophobicContact CD1-CE 4.3Å; L554-M557 HydrophobicContact CD2-CE 3.75Å; L554-M557 HydrophobicContact CG-CE 4.5Å; L554-I577 HydrophobicContact CD2-CD1 3.38Å; L554-I577 HydrophobicContact CD2-CG1 4.37Å; L554-M590 HydrophobicContact CD2-CE 4.28Å; L554-L618 HydrophobicContact CD2-CD1 3.86Å; L554-L618 HydrophobicContact CG-CD1 3.86Å; L554-K623 WeakPolarHBondContact O-CA 3.38Å; L554-T624 HydrophobicContact CB-CG2 4.29Å; L554-T624 WeakPolarHBondContact CB-O 3.15Å; L554-T624 HydrophobicContact CD2-CG2 4.3Å; L554-T624 PolarHBondContact N-O 2.96Å; L554-T624 PolarHBondContact O-N 2.94Å; L554-F626 HydrophobicContact CB-CB 4.29Å; L554-F626 HydrophobicContact CB-CD1 3.54Å; L554-F626 HydrophobicContact CB-CE1 4.15Å; L554-F626 HydrophobicContact CB-CG 4.13Å; L554-F626 HydrophobicContact CD1-CD1 4.39Å; L554-V672 HydrophobicContact CD1-CB 4.43Å; L554-V672 HydrophobicContact CD1-CG1 3.28Å; L554-V672 HydrophobicContact CD1-CG2 4.42Å
555	L	87.7	Confident	81.4	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-20.3	175.8	-65.4	179.8	0	0	0	113.2	L501 M553 L618 G619 K623 Y673 Y675	L501-L555 HydrophobicContact CD1-CB 4.17Å; L501-L555 HydrophobicContact CD1-CD1 3.71Å; L501-L555 HydrophobicContact CD2-CB 4.21Å; L501-L555 HydrophobicContact CD2-CD1 4Å; L501-L555 HydrophobicContact CD2-CD2 4.13Å; L501-L555 HydrophobicContact CD2-CG 4.36Å; M553-L555 HydrophobicContact CG-CD2 4.44Å; L555-L618 WeakPolarHBondContact O-CB 3.29Å; L555-L618 PolarHBondContact O-N 3.03Å; L555-G619 PolarHBondContact O-N 2.95Å; L555-K623 HydrophobicContact CD2-CB 3.63Å; L555-K623 HydrophobicContact CD2-CD 4.14Å; L555-Y673 PolarHBondContact N-O 3.2Å; L555-Y675 HydrophobicContact CD1-CD1 3.76Å; L555-Y675 HydrophobicContact CD1-CE1 4Å; L555-Y675 HydrophobicContact CD2-CE1 4.29Å; L555-Y675 HydrophobicContact CG-CD1 4.3Å; L555-Y675 HydrophobicContact CG-CE1 4.3Å
556	G	88.9	Confident	81.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	173.6	176.7	0	0	0	0	0	112.4	L554 L616 Y673	L554-G556 WeakPolarHBondContact CD1-O 3.24Å; G556-L616 WeakPolarHBondContact CA-O 3.34Å; G556-Y673 PolarHBondContact N-O 3.16Å; G556-Y673 VanDerWaalsContact N-O 3.17Å; G556-Y673 PolarHBondContact O-N 2.91Å
557	M	90.8	Very high	82.7	Confident	3 Å²	3	37 Å²	37	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.1	178.3	57.2	-171.4	77.7	0	0	110.6	L554 V575 M590 W600 L616 F631 Q671 V672	L554-M557 HydrophobicContact CD1-CE 4.3Å; L554-M557 HydrophobicContact CD2-CE 3.75Å; L554-M557 HydrophobicContact CG-CE 4.5Å; M557-V575 HydrophobicContact CE-CG1 4.15Å; M557-V575 HydrophobicContact SD-CG1 4.17Å; M557-V575 HydrophobicContact SD-CG2 4.18Å; M557-M590 HydrophobicContact CE-CE 3.98Å; M557-M590 HydrophobicContact CE-SD 4.35Å; M557-W600 HydrophobicContact CG-CH2 3.72Å; M557-W600 HydrophobicContact CG-CZ3 4.11Å; M557-W600 HydrophobicContact SD-CH2 3.72Å; M557-W600 HydrophobicContact SD-CZ2 4.16Å; M557-L616 HydrophobicContact CE-CD2 4.17Å; M557-L616 HydrophobicContact CG-CB 3.8Å; M557-L616 HydrophobicContact CG-CD2 4.15Å; M557-L616 PolarHBondContact N-O 3.38Å; M557-L616 PolarHBondContact O-N 2.87Å; M557-L616 HydrophobicContact SD-CD2 4.01Å; M557-F631 HydrophobicContact SD-CE1 3.5Å; M557-F631 VanDerWaalsContact SD-CE1 3.5Å; M557-F631 HydrophobicContact SD-CZ 3.85Å; M557-Q671 CarbonylContact C-O 3.58Å; M557-Q671 WeakPolarHBondContact CA-O 3.34Å; M557-V672 HydrophobicContact CB-CG2 4.25Å
558	S	89.9	Confident	83.4	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.9	171.3	73.4	0	0	0	0	112.6	R508 W614 Q671 Y673	R508-S558 PolarHBondContact NH2-OG 2.76Å; S558-W614 CarbonylContact C-O 3.58Å; S558-W614 WeakPolarHBondContact CA-O 3.31Å; S558-Q671 PolarHBondContact N-O 3.1Å; S558-Q671 PolarHBondContact O-N 2.79Å; S558-Y673 WeakPolarHBondContact OG-CE2 3.25Å; S558-Y673 PolarHBondContact OG-OH 3.26Å
559	L	90.3	Very high	84	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.8	178.3	179.7	70.1	0	0	0	108.8	I561 L573 W614 I667 S669 I670	L559-I561 HydrophobicContact CD2-CD1 3.59Å; L559-I561 HydrophobicContact CD2-CG1 3.71Å; L559-I561 HydrophobicContact CG-CD1 4.27Å; L559-I561 HydrophobicContact CG-CG1 3.86Å; L559-L573 HydrophobicContact CD2-CD1 3.58Å; L559-L573 HydrophobicContact CD2-CD2 4.08Å; L559-L573 HydrophobicContact CD2-CG 4.47Å; L559-W614 HydrophobicContact CB-CB 4.25Å; L559-W614 PolarHBondContact N-O 3.06Å; L559-W614 WeakPolarHBondContact O-CB 3.44Å; L559-W614 PolarHBondContact O-N 2.71Å; L559-I667 HydrophobicContact CD1-CG2 3.47Å; L559-I667 VanDerWaalsContact CD1-CG2 3.47Å; L559-S669 WeakPolarHBondContact CA-O 3.44Å; L559-S669 WeakPolarHBondContact CD1-O 3.33Å; L559-I670 HydrophobicContact CD1-CB 4.05Å; L559-I670 HydrophobicContact CD1-CD1 3.57Å; L559-I670 HydrophobicContact CD1-CG1 3.37Å; L559-I670 HydrophobicContact CD1-CG2 4.12Å
560	Q	90.3	Very high	84.1	Confident	37 Å²	37	29.2 Å²	29.2	17%	0.173	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.7	174.3	-175.6	-178	8.8	0	0	109.8	L605 N613 I667 N668 S669	Q560-L605 HydrophobicContact CG-CD1 4.1Å; Q560-N613 WeakPolarHBondContact CG-OD1 3.17Å; Q560-I667 WeakPolarHBondContact O-CA 3.48Å; Q560-N668 HydrophobicContact CB-CB 4.1Å; Q560-N668 HydrophobicContact CG-CB 3.98Å; Q560-N668 PolarHBondContact NE2-ND2 3.45Å; Q560-N668 VanDerWaalsContact NE2-ND2 3.18Å; Q560-N668 PolarHBondContact O-N 2.91Å; Q560-S669 PolarHBondContact N-O 3.24Å; Q560-S669 PolarHBondContact OE1-OG 3.37Å
561	I	89.5	Confident	84	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.9	179.1	-57.1	172.9	0	0	0	109	L559 P571 C611 F612 W614 M665 K666	L559-I561 HydrophobicContact CD2-CD1 3.59Å; L559-I561 HydrophobicContact CD2-CG1 3.71Å; L559-I561 HydrophobicContact CG-CD1 4.27Å; L559-I561 HydrophobicContact CG-CG1 3.86Å; I561-P571 HydrophobicContact CD1-CB 4.09Å; I561-P571 HydrophobicContact CD1-CG 4.12Å; I561-P571 HydrophobicContact CG2-CG 4.48Å; I561-C611 CarbonylContact O-C 3.56Å; I561-C611 WeakPolarHBondContact O-CA 3.44Å; I561-F612 PolarHBondContact N-O 3.44Å; I561-F612 PolarHBondContact O-N 3.03Å; I561-W614 HydrophobicContact CD1-CD2 4.43Å; I561-M665 HydrophobicContact CG2-CG 3.58Å; I561-M665 HydrophobicContact CG2-SD 3.73Å; I561-K666 CarbonylContact C-O 2.99Å; I561-K666 WeakPolarHBondContact CA-O 3.45Å
562	C	88.3	Confident	83.9	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.3	173.3	-63.6	0	0	0	0	110.8	W528 C611 M665 K666 N668	W528-C562 HydrophobicContact CH2-CB 4.07Å; C562-C611 HydrophobicContact CB-CB 4.1Å; C562-C611 WeakPolarHBondContact CB-SG 3.29Å; C562-C611 WeakPolarHBondContact SG-CB 3.49Å; C562-C611 CovalentContact SG-SG 2.04Å; C562-C611 PolarHBondContact SG-SG 3.02Å; C562-M665 CarbonylContact O-C 3.58Å; C562-M665 WeakPolarHBondContact O-CA 3.05Å; C562-K666 HydrophobicContact CB-CB 4.25Å; C562-K666 PolarHBondContact N-O 3.39Å; C562-K666 PolarHBondContact O-N 3.12Å; C562-N668 PolarHBondContact SG-ND2 2.76Å
563	L	86	Confident	83.8	Confident	15 Å²	15	29.4 Å²	29.4	8%	0.079	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	151.2	176.3	-62	169.7	0	0	0	110	D610 F612 M665	L563-D610 PolarHBondContact N-O 3.45Å; L563-D610 PolarHBondContact O-N 3.43Å; L563-F612 HydrophobicContact CD1-CE2 4.49Å; L563-M665 HydrophobicContact CD2-CB 4.14Å; L563-M665 HydrophobicContact CD2-CE 3.95Å; L563-M665 HydrophobicContact CD2-CG 3.92Å
564	T	83.1	Confident	83.9	Confident	36 Å²	36	30.4 Å²	30.4	22%	0.221	16%	0.162	C	C	.	.			trans	-67.3	145.7	169.2	51.4	0	0	0	0	110.6	W528 N566 S567 G663 Y664	W528-T564 HydrophobicContact CE3-CG2 4.28Å; W528-T564 HydrophobicContact CH2-CG2 4.2Å; W528-T564 HydrophobicContact CZ3-CG2 3.85Å; T564-N566 PolarHBondContact O-N 3.42Å; T564-S567 VanDerWaalsContact O-CB 3.29Å; T564-S567 WeakPolarHBondContact O-CB 3.46Å; T564-S567 PolarHBondContact O-N 3.11Å; T564-S567 VanDerWaalsContact O-N 3.11Å; T564-G663 WeakPolarHBondContact OG1-CA 3.38Å; T564-Y664 HydrophobicContact CG2-CD2 4.35Å; T564-Y664 PolarHBondContact N-O 2.71Å; T564-Y664 PolarHBondContact OG1-N 3.05Å
565	K	72.8	Confident	84	Confident	136 Å²	136	30.4 Å²	30.4	59%	0.591	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	137.5	177	-65	-170.7	-175.4	-176.4	0	110.5	S567 P608	K565-S567 VanDerWaalsContact C-N 3.3Å; K565-S567 PolarHBondContact O-N 3.09Å; K565-P608 WeakPolarHBondContact CE-O 3.48Å
566	N	70	Confident	84.2	Confident	162 Å²	162	32.7 Å²	32.7	87%	0.866	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	22	-175.6	-61.2	-13.1	0	0	0	115.7	T564	T564-N566 PolarHBondContact O-N 3.42Å
567	S	72.4	Confident	84.3	Confident	31 Å²	31	32.7 Å²	32.7	22%	0.217	17%	0.17	C	C	.	.			trans	-66.9	138.7	170.4	-178.6	0	0	0	0	111.4	T564 K565 L569 L662	T564-S567 VanDerWaalsContact O-CB 3.29Å; T564-S567 WeakPolarHBondContact O-CB 3.46Å; T564-S567 PolarHBondContact O-N 3.11Å; T564-S567 VanDerWaalsContact O-N 3.11Å; K565-S567 VanDerWaalsContact C-N 3.3Å; K565-S567 PolarHBondContact O-N 3.09Å; S567-L569 VanDerWaalsContact C-N 3.31Å; S567-L569 WeakPolarHBondContact OG-CB 3.3Å; S567-L569 WeakPolarHBondContact OG-CD1 3.34Å; S567-L569 PolarHBondContact OG-N 3.25Å; S567-L662 PolarHBondContact OG-O 2.89Å
568	T	74.5	Confident	84.3	Confident	58 Å²	58	32.5 Å²	32.5	36%	0.356	17%	0.169	S	C	.	.			trans	-90.6	5.8	172.9	54.3	0	0	0	0	112.5	R638 L662	T568-R638 WeakPolarHBondContact O-CB 3.47Å; T568-R638 PolarHBondContact O-N 3.27Å; T568-L662 PolarHBondContact N-O 3.3Å
569	L	76.6	Confident	84.2	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.6	-176.6	-63.8	161.5	0	0	0	111.6	P531 S567 R636 L662 G663	P531-L569 HydrophobicContact CG-CD1 3.41Å; P531-L569 VanDerWaalsContact CG-CD1 3.41Å; P531-L569 HydrophobicContact CG-CD2 4.15Å; P531-L569 HydrophobicContact CG-CG 4.38Å; S567-L569 VanDerWaalsContact C-N 3.31Å; S567-L569 WeakPolarHBondContact OG-CB 3.3Å; S567-L569 WeakPolarHBondContact OG-CD1 3.34Å; S567-L569 PolarHBondContact OG-N 3.25Å; L569-R636 CarbonylContact C-O 3.21Å; L569-R636 WeakPolarHBondContact CA-O 3.48Å; L569-L662 HydrophobicContact CD1-CB 4.2Å; L569-L662 WeakPolarHBondContact CD1-O 3.39Å; L569-L662 HydrophobicContact CD2-CB 3.96Å; L569-L662 HydrophobicContact CD2-CD1 4.47Å; L569-L662 HydrophobicContact CG-CB 4.05Å; L569-L662 WeakPolarHBondContact CG-O 3.3Å; L569-G663 WeakPolarHBondContact CD1-O 3.32Å
570	D	79.9	Confident	84.1	Confident	33 Å²	33	32.5 Å²	32.5	18%	0.176	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.9	168.5	-168.3	17.1	0	0	0	108.9	R602 R636 Y649	D570-R602 IonicContact OD1-CZ 3.92Å; D570-R602 IonicContact OD1-NH1 2.94Å; D570-R602 PolarHBondContact OD1-NH1 3.21Å; D570-R602 IonicContact OD1-NH2 3.99Å; D570-R636 PolarHBondContact N-O 3.4Å; D570-R636 PolarHBondContact O-N 2.98Å; D570-Y649 HydrophobicContact CB-CE1 4.24Å; D570-Y649 WeakPolarHBondContact OD2-CE1 3.41Å
571	P	82.6	Confident	83.6	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.032	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.2	177.2	24.7	-29	0	0	0	110.7	I561 W614 L633 M665	I561-P571 HydrophobicContact CD1-CB 4.09Å; I561-P571 HydrophobicContact CD1-CG 4.12Å; I561-P571 HydrophobicContact CG2-CG 4.48Å; P571-W614 HydrophobicContact CB-CZ2 4.5Å; P571-W614 HydrophobicContact CG-CH2 4.22Å; P571-W614 HydrophobicContact CG-CZ2 3.7Å; P571-W614 WeakPolarHBondContact O-CH2 3.33Å; P571-L633 HydrophobicContact CB-CD1 3.8Å; P571-M665 HydrophobicContact CB-CE 3.75Å; P571-M665 HydrophobicContact CB-SD 4.4Å; P571-M665 HydrophobicContact CG-CE 4.3Å
572	M	83.6	Confident	83	Confident	72 Å²	72	33.1 Å²	33.1	36%	0.355	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.6	172.4	-173.4	-171	177.9	0	0	108.8	R634 R636	M572-R634 PolarHBondContact N-O 3.19Å; M572-R634 PolarHBondContact O-N 3.01Å; M572-R636 PolarHBondContact SD-NH2 3.38Å
573	L	86.1	Confident	82.6	Confident	12 Å²	12	35.3 Å²	35.3	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.1	-178.4	-65	166.9	0	0	0	110.1	L559 W600 W614 Y632 L633	L559-L573 HydrophobicContact CD2-CD1 3.58Å; L559-L573 HydrophobicContact CD2-CD2 4.08Å; L559-L573 HydrophobicContact CD2-CG 4.47Å; L573-W600 HydrophobicContact CB-CZ2 4.32Å; L573-W600 HydrophobicContact CD1-CH2 4.21Å; L573-W600 HydrophobicContact CD1-CZ2 3.87Å; L573-W614 HydrophobicContact CD1-CD2 4.33Å; L573-W614 HydrophobicContact CD1-CE3 3.61Å; L573-W614 HydrophobicContact CD1-CZ3 3.9Å; L573-W614 HydrophobicContact CG-CZ3 4.38Å; L573-Y632 WeakPolarHBondContact CA-O 3.31Å; L573-L633 HydrophobicContact CD2-CB 4.18Å; L573-L633 HydrophobicContact CD2-CD1 3.69Å; L573-L633 HydrophobicContact CG-CD1 4.46Å
574	S	89.1	Confident	82.3	Confident	22 Å²	22	37.9 Å²	37.9	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.3	164	-52.8	0	0	0	0	108.5	Y632	S574-Y632 PolarHBondContact N-O 3.13Å; S574-Y632 PolarHBondContact O-N 3.06Å
575	V	90.9	Very high	82.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.1	-174.7	-173.6	0	0	0	0	109.4	M557 I577 M590 I592 W600 V629 H630 F631	M557-V575 HydrophobicContact CE-CG1 4.15Å; M557-V575 HydrophobicContact SD-CG1 4.17Å; M557-V575 HydrophobicContact SD-CG2 4.18Å; V575-I577 HydrophobicContact CG1-CG1 4.26Å; V575-M590 HydrophobicContact CB-CB 4.21Å; V575-M590 WeakPolarHBondContact O-CB 3.3Å; V575-M590 PolarHBondContact O-N 3.32Å; V575-I592 HydrophobicContact CB-CD1 4.46Å; V575-I592 HydrophobicContact CG2-CD1 3.99Å; V575-W600 HydrophobicContact CG2-CZ2 3.9Å; V575-V629 HydrophobicContact CG1-CG1 3.57Å; V575-H630 WeakPolarHBondContact CA-O 3.35Å; V575-F631 HydrophobicContact CG1-CD1 4.44Å; V575-F631 HydrophobicContact CG1-CE1 4.33Å; V575-F631 HydrophobicContact CG2-CD1 3.76Å; V575-F631 HydrophobicContact CG2-CE1 3.98Å
576	Y	91.7	Very high	82.9	Confident	50 Å²	50	35.4 Å²	35.4	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.9	173.1	-65.9	-108.5	0	0	0	109	H584 W588 I589 H630 Y632	Y576-H584 AromaticContact CD1-NE2 3.85Å; Y576-H584 AromaticContact CG-NE2 3.85Å; Y576-W588 CarbonylContact C-O 3.3Å; Y576-W588 VanDerWaalsContact CA-O 3.23Å; Y576-W588 WeakPolarHBondContact CA-O 3.48Å; Y576-I589 HydrophobicContact CD1-CB 3.99Å; Y576-I589 HydrophobicContact CE1-CB 3.77Å; Y576-I589 HydrophobicContact CE1-CD1 4.3Å; Y576-I589 HydrophobicContact CE1-CG1 4.24Å; Y576-I589 HydrophobicContact CE2-CD1 4.29Å; Y576-I589 HydrophobicContact CE2-CG1 4.44Å; Y576-H630 PolarHBondContact N-O 3.46Å; Y576-H630 PolarHBondContact O-N 2.85Å; Y576-Y632 AromaticContact CD2-CD2 3.36Å; Y576-Y632 HydrophobicContact CD2-CD2 3.36Å; Y576-Y632 AromaticContact CD2-CE2 3.58Å; Y576-Y632 HydrophobicContact CD2-CE2 3.58Å; Y576-Y632 AromaticContact CE2-CD2 3.36Å; Y576-Y632 HydrophobicContact CE2-CD2 3.36Å; Y576-Y632 AromaticContact CE2-CE2 3.7Å; Y576-Y632 HydrophobicContact CE2-CE2 3.7Å; Y576-Y632 HydrophobicContact CE2-CG 4.28Å; Y576-Y632 HydrophobicContact CG-CD2 4.44Å; Y576-Y632 HydrophobicContact CG-CE2 4.29Å
577	I	91	Very high	83.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.2	-176.6	-64.3	172.4	0	0	0	109.1	L554 V575 S587 W588 M590 T624 F625 F626 V629	L554-I577 HydrophobicContact CD2-CD1 3.38Å; L554-I577 HydrophobicContact CD2-CG1 4.37Å; V575-I577 HydrophobicContact CG1-CG1 4.26Å; I577-S587 VanDerWaalsContact O-CA 3.29Å; I577-S587 WeakPolarHBondContact O-CA 3.33Å; I577-W588 HydrophobicContact CB-CZ2 3.95Å; I577-W588 HydrophobicContact CD1-CH2 4.01Å; I577-W588 HydrophobicContact CD1-CZ2 3.62Å; I577-W588 HydrophobicContact CG1-CZ2 4.29Å; I577-W588 HydrophobicContact CG2-CZ2 4.34Å; I577-W588 PolarHBondContact N-O 3.47Å; I577-W588 PolarHBondContact O-N 3.05Å; I577-W588 VanDerWaalsContact O-N 3.08Å; I577-W588 PolarHBondContact O-NE1 2.81Å; I577-M590 HydrophobicContact CD1-CE 3.33Å; I577-T624 HydrophobicContact CD1-CG2 4.22Å; I577-F625 WeakPolarHBondContact CG2-O 3.04Å; I577-F626 HydrophobicContact CG2-CB 3.95Å; I577-V629 HydrophobicContact CG1-CG1 4.4Å
578	N	90.9	Very high	84.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119	165.3	-167	-44.9	0	0	0	109	F580 G581 S583 S587 E627 T628	N578-F580 PolarHBondContact OD1-N 3.17Å; N578-G581 WeakPolarHBondContact OD1-CA 3.26Å; N578-G581 PolarHBondContact OD1-N 3.41Å; N578-S583 PolarHBondContact ND2-N 3.16Å; N578-S583 PolarHBondContact ND2-O 2.8Å; N578-S587 WeakPolarHBondContact CB-OG 3.48Å; N578-E627 PolarHBondContact O-N 3.33Å; N578-T628 PolarHBondContact N-O 3.08Å; N578-T628 PolarHBondContact O-N 3.24Å; N578-T628 VanDerWaalsContact O-N 3.14Å
579	P	88.8	Confident	85.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-72.7	-35	-175	27.9	-34.4	0	0	0	114.5	F625 F626 E627 L727 L768	P579-F625 HydrophobicContact CB-CB 3.76Å; P579-F626 CarbonylContact O-C 3.57Å; P579-E627 PolarHBondContact O-N 2.96Å; P579-L727 HydrophobicContact CB-CD2 4.22Å; P579-L727 HydrophobicContact CG-CD2 3.78Å; P579-L768 HydrophobicContact CG-CD2 3.96Å
580	F	87.3	Confident	85.9	Confident	3 Å²	3	29.5 Å²	29.5	1%	0.013	17%	0.174	C	C	.	.	S	Bend	trans	-140.4	3.6	-169.4	-56.4	-67.8	0	0	0	115.2	V551 N578 F625 E627 V714 L727 C730 L731 H734 R735	V551-F580 HydrophobicContact CG1-CD1 4.37Å; V551-F580 HydrophobicContact CG1-CE1 3.76Å; V551-F580 HydrophobicContact CG2-CE1 4.45Å; N578-F580 PolarHBondContact OD1-N 3.17Å; F580-F625 HydrophobicContact CE1-CB 4.2Å; F580-F625 HydrophobicContact CE1-CD1 4.31Å; F580-F625 HydrophobicContact CE1-CD2 4.28Å; F580-F625 HydrophobicContact CE1-CG 4.02Å; F580-F625 HydrophobicContact CE2-CD2 4.41Å; F580-F625 HydrophobicContact CZ-CB 4.03Å; F580-F625 HydrophobicContact CZ-CD1 4.41Å; F580-F625 AromaticContact CZ-CD2 3.6Å; F580-F625 HydrophobicContact CZ-CD2 3.6Å; F580-F625 HydrophobicContact CZ-CE2 4.09Å; F580-F625 AromaticContact CZ-CG 3.76Å; F580-F625 HydrophobicContact CZ-CG 3.76Å; F580-E627 WeakPolarHBondContact CA-OE2 3.34Å; F580-V714 HydrophobicContact CZ-CG1 4.42Å; F580-L727 HydrophobicContact CE2-CB 4.18Å; F580-L727 VanDerWaalsContact CE2-O 3.3Å; F580-L727 WeakPolarHBondContact CE2-O 3.43Å; F580-C730 HydrophobicContact CD2-CB 3.77Å; F580-C730 HydrophobicContact CE2-CB 4.4Å; F580-L731 HydrophobicContact CD2-CB 4.11Å; F580-L731 HydrophobicContact CE1-CB 4.29Å; F580-L731 HydrophobicContact CE1-CD1 3.88Å; F580-L731 HydrophobicContact CE1-CG 4.35Å; F580-L731 HydrophobicContact CE2-CB 3.85Å; F580-L731 HydrophobicContact CG-CB 4.45Å; F580-L731 HydrophobicContact CZ-CB 3.95Å; F580-L731 HydrophobicContact CZ-CD1 3.83Å; F580-L731 HydrophobicContact CZ-CG 4.36Å; F580-H734 HydrophobicContact CB-CB 4.07Å; F580-H734 WeakPolarHBondContact O-CB 3.42Å; F580-R735 HydrophobicContact CB-CG 4.31Å; F580-R735 HydrophobicContact CD1-CG 4.04Å; F580-R735 HydrophobicContact CG-CG 4.48Å
581	G	81.6	Confident	86.2	Confident	7 Å²	7	29.2 Å²	29.2	7%	0.072	17%	0.174	C	C	.	.			trans	-135.9	-163.9	-177.2	0	0	0	0	0	112.1	N578 T628	N578-G581 WeakPolarHBondContact OD1-CA 3.26Å; N578-G581 PolarHBondContact OD1-N 3.41Å; G581-T628 WeakPolarHBondContact O-CB 3.41Å; G581-T628 PolarHBondContact O-OG1 3.41Å
582	G	75.4	Confident	86.3	Confident	44 Å²	44	30.3 Å²	30.3	45%	0.454	18%	0.179	S	C	.	.			trans	-129.5	5.3	177.5	0	0	0	0	0	114.5	T628	G582-T628 WeakPolarHBondContact CA-OG1 3.1Å
583	S	80.6	Confident	85.8	Confident	48 Å²	48	32.6 Å²	32.6	34%	0.336	19%	0.193	S	C	.	.			trans	-83.4	134.1	179.6	-171.3	0	0	0	0	110.9	N578 S585 E586 S587	N578-S583 PolarHBondContact ND2-N 3.16Å; N578-S583 PolarHBondContact ND2-O 2.8Å; S583-S585 PolarHBondContact O-N 3.35Å; S583-S585 PolarHBondContact OG-N 3.2Å; S583-S585 PolarHBondContact OG-OG 3.21Å; S583-E586 PolarHBondContact O-N 3.21Å; S583-S587 PolarHBondContact O-OG 2.87Å
584	H	79.5	Confident	85.4	Confident	68 Å²	68	37.7 Å²	37.7	32%	0.315	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-64.5	-30.8	171.5	-179	-92.6	0	0	0	112.1	Y576 E586 S587 Y632	Y576-H584 AromaticContact CD1-NE2 3.85Å; Y576-H584 AromaticContact CG-NE2 3.85Å; H584-E586 VanDerWaalsContact C-N 3.25Å; H584-E586 PolarHBondContact O-N 3.48Å; H584-S587 WeakPolarHBondContact O-CB 3.49Å; H584-S587 PolarHBondContact O-N 3.06Å; H584-S587 PolarHBondContact O-OG 3.35Å; H584-Y632 AromaticContact CD2-CE2 3.64Å; H584-Y632 AromaticContact CD2-CZ 3.79Å; H584-Y632 PolarHBondContact CD2-OH 3Å; H584-Y632 AromaticContact CE1-CZ 3.97Å; H584-Y632 PolarHBondContact CE1-OH 2.81Å; H584-Y632 VanDerWaalsContact CE1-OH 3.27Å; H584-Y632 AromaticContact NE2-CE2 3.13Å; H584-Y632 WeakPolarHBondContact NE2-CE2 3.28Å; H584-Y632 AromaticContact NE2-CZ 3.39Å; H584-Y632 PolarHBondContact NE2-OH 3.15Å
585	S	82.6	Confident	84.3	Confident	99 Å²	99	43.9 Å²	43.9	69%	0.692	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-68.2	-23.9	-178.9	61.2	0	0	0	0	113.8	S583 S587	S583-S585 PolarHBondContact O-N 3.35Å; S583-S585 PolarHBondContact OG-N 3.2Å; S583-S585 PolarHBondContact OG-OG 3.21Å; S585-S587 VanDerWaalsContact C-N 3.35Å
586	E	86.6	Confident	83.5	Confident	21 Å²	21	51 Å²	51	10%	0.098	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-102.9	24.7	180	-61.2	170.2	150.3	0	0	110.7	S583 H584 H734	S583-E586 PolarHBondContact O-N 3.21Å; H584-E586 VanDerWaalsContact C-N 3.25Å; H584-E586 PolarHBondContact O-N 3.48Å; E586-H734 IonicContact OE1-CE1 2.62Å; E586-H734 IonicContact OE1-NE2 3.35Å; E586-H734 IonicContact OE2-CE1 3.91Å; E586-H734 PolarHBondContact OE2-CE1 3.07Å; E586-H734 IonicContact OE2-NE2 3.08Å; E586-H734 PolarHBondContact OE2-NE2 2.92Å
587	S	88.4	Confident	83	Confident	15 Å²	15	49.1 Å²	49.1	11%	0.105	28%	0.278	C	S	.	.			trans	-106.7	141	178.6	-54.7	0	0	0	0	110.7	I577 N578 S583 H584 S585 H630	I577-S587 VanDerWaalsContact O-CA 3.29Å; I577-S587 WeakPolarHBondContact O-CA 3.33Å; N578-S587 WeakPolarHBondContact CB-OG 3.48Å; S583-S587 PolarHBondContact O-OG 2.87Å; H584-S587 WeakPolarHBondContact O-CB 3.49Å; H584-S587 PolarHBondContact O-N 3.06Å; H584-S587 PolarHBondContact O-OG 3.35Å; S585-S587 VanDerWaalsContact C-N 3.35Å; S587-H630 PolarHBondContact OG-CD2 2.81Å
588	W	89.5	Confident	82.7	Confident	20 Å²	20	50.4 Å²	50.4	8%	0.076	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	153	172.5	64.6	-86.3	0	0	0	110.5	Y576 I577 M590 T624 P719 L725 L768	Y576-W588 CarbonylContact C-O 3.3Å; Y576-W588 VanDerWaalsContact CA-O 3.23Å; Y576-W588 WeakPolarHBondContact CA-O 3.48Å; I577-W588 HydrophobicContact CB-CZ2 3.95Å; I577-W588 HydrophobicContact CD1-CH2 4.01Å; I577-W588 HydrophobicContact CD1-CZ2 3.62Å; I577-W588 HydrophobicContact CG1-CZ2 4.29Å; I577-W588 HydrophobicContact CG2-CZ2 4.34Å; I577-W588 PolarHBondContact N-O 3.47Å; I577-W588 PolarHBondContact O-N 3.05Å; I577-W588 VanDerWaalsContact O-N 3.08Å; I577-W588 PolarHBondContact O-NE1 2.81Å; W588-M590 HydrophobicContact CH2-CB 4.46Å; W588-M590 HydrophobicContact CH2-CE 4.29Å; W588-M590 HydrophobicContact CH2-CG 4.5Å; W588-M590 HydrophobicContact CZ3-CB 4.18Å; W588-M590 HydrophobicContact CZ3-CG 4.47Å; W588-T624 HydrophobicContact CH2-CG2 4.44Å; W588-T624 HydrophobicContact CZ2-CG2 3.76Å; W588-P719 HydrophobicContact CD2-CB 3.73Å; W588-P719 HydrophobicContact CD2-CG 3.52Å; W588-P719 HydrophobicContact CE3-CB 3.4Å; W588-P719 HydrophobicContact CE3-CG 3.59Å; W588-P719 HydrophobicContact CG-CG 3.96Å; W588-P719 HydrophobicContact CH2-CB 3.45Å; W588-P719 VanDerWaalsContact CH2-CB 3.45Å; W588-P719 HydrophobicContact CH2-CG 4.32Å; W588-P719 HydrophobicContact CZ2-CB 3.73Å; W588-P719 HydrophobicContact CZ2-CG 4.21Å; W588-P719 HydrophobicContact CZ3-CB 3.22Å; W588-P719 HydrophobicContact CZ3-CG 3.98Å; W588-L725 HydrophobicContact CB-CD1 3.69Å; W588-L725 HydrophobicContact CG-CD1 3.82Å; W588-L768 HydrophobicContact CB-CD1 4.24Å
589	I	89.3	Confident	82.4	Confident	93 Å²	93	54.3 Å²	54.3	48%	0.477	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.9	-179.3	-176.1	168.9	0	0	0	111.2	Y576 P591	Y576-I589 HydrophobicContact CD1-CB 3.99Å; Y576-I589 HydrophobicContact CE1-CB 3.77Å; Y576-I589 HydrophobicContact CE1-CD1 4.3Å; Y576-I589 HydrophobicContact CE1-CG1 4.24Å; Y576-I589 HydrophobicContact CE2-CD1 4.29Å; Y576-I589 HydrophobicContact CE2-CG1 4.44Å; I589-P591 WeakPolarHBondContact O-CD 3.38Å
590	M	89.1	Confident	82.4	Confident	7 Å²	7	55.2 Å²	55.2	3%	0.034	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-71.7	123	176.3	-170.9	175.4	-88.8	0	0	111.2	L554 M557 V575 I577 W588 I592 Y597 L616 L618	L554-M590 HydrophobicContact CD2-CE 4.28Å; M557-M590 HydrophobicContact CE-CE 3.98Å; M557-M590 HydrophobicContact CE-SD 4.35Å; V575-M590 HydrophobicContact CB-CB 4.21Å; V575-M590 WeakPolarHBondContact O-CB 3.3Å; V575-M590 PolarHBondContact O-N 3.32Å; I577-M590 HydrophobicContact CD1-CE 3.33Å; W588-M590 HydrophobicContact CH2-CB 4.46Å; W588-M590 HydrophobicContact CH2-CE 4.29Å; W588-M590 HydrophobicContact CH2-CG 4.5Å; W588-M590 HydrophobicContact CZ3-CB 4.18Å; W588-M590 HydrophobicContact CZ3-CG 4.47Å; M590-I592 HydrophobicContact CB-CG1 4.13Å; M590-I592 HydrophobicContact CG-CD1 4.42Å; M590-I592 HydrophobicContact CG-CG1 3.74Å; M590-I592 PolarHBondContact O-N 3.33Å; M590-I592 HydrophobicContact SD-CD1 4.21Å; M590-I592 HydrophobicContact SD-CG1 3.99Å; M590-Y597 HydrophobicContact CE-CE1 4.36Å; M590-Y597 WeakPolarHBondContact CE-OH 3.46Å; M590-Y597 HydrophobicContact CG-CD1 4.27Å; M590-Y597 HydrophobicContact CG-CE1 3.34Å; M590-Y597 HydrophobicContact SD-CE1 3.75Å; M590-L616 HydrophobicContact CE-CD2 4.46Å; M590-L616 HydrophobicContact SD-CD2 3.43Å; M590-L616 WeakPolarHBondContact SD-CD2 3.23Å; M590-L618 HydrophobicContact CE-CD1 3.86Å; M590-L618 HydrophobicContact CE-CD2 4.09Å; M590-L618 HydrophobicContact SD-CD2 4.37Å
591	P	86.6	Confident	82.3	Confident	27 Å²	27	58 Å²	58	18%	0.175	32%	0.324	C	S	.	.			trans	-82.6	62.1	-177.4	35.6	-36.5	0	0	0	111.1	I589 D593 Q594 Y597 P720	I589-P591 WeakPolarHBondContact O-CD 3.38Å; P591-D593 PolarHBondContact O-N 2.83Å; P591-Q594 HydrophobicContact CB-CB 4.2Å; P591-Q594 PolarHBondContact O-N 3.35Å; P591-Y597 HydrophobicContact CG-CD2 4.16Å; P591-Y597 HydrophobicContact CG-CE2 4.44Å; P591-Y597 HydrophobicContact CG-CG 4.23Å; P591-Y597 VanDerWaalsContact O-CB 3.26Å; P591-Y597 WeakPolarHBondContact O-CB 3.36Å; P591-P720 HydrophobicContact CG-CG 4.1Å
592	I	83.4	Confident	82.6	Confident	29 Å²	29	63.7 Å²	63.7	15%	0.149	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	132.1	-179.6	-54.1	179.7	0	0	0	109.3	V575 M590 Q594 D599 W600 L616	V575-I592 HydrophobicContact CB-CD1 4.46Å; V575-I592 HydrophobicContact CG2-CD1 3.99Å; M590-I592 HydrophobicContact CB-CG1 4.13Å; M590-I592 HydrophobicContact CG-CD1 4.42Å; M590-I592 HydrophobicContact CG-CG1 3.74Å; M590-I592 PolarHBondContact O-N 3.33Å; M590-I592 HydrophobicContact SD-CD1 4.21Å; M590-I592 HydrophobicContact SD-CG1 3.99Å; I592-Q594 VanDerWaalsContact C-N 3.28Å; I592-Q594 PolarHBondContact O-N 2.79Å; I592-D599 WeakPolarHBondContact CG2-OD1 3.42Å; I592-W600 HydrophobicContact CD1-CZ2 4.38Å; I592-L616 HydrophobicContact CD1-CD2 4.36Å
593	D	74	Confident	83	Confident	119 Å²	119	65 Å²	65	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	22.2	-178.8	-164.4	37.7	0	0	0	115.3	P591 D599	P591-D593 PolarHBondContact O-N 2.83Å; D593-D599 HydrophobicContact CB-CB 4.26Å
594	Q	76.8	Confident	83	Confident	119 Å²	119	69 Å²	69	56%	0.556	35%	0.354	S	S	*	.	S	Bend	trans	-119	142.4	175.2	-60.5	177.8	9.9	0	0	110.9	P591 I592 N596 Y597	P591-Q594 HydrophobicContact CB-CB 4.2Å; P591-Q594 PolarHBondContact O-N 3.35Å; I592-Q594 VanDerWaalsContact C-N 3.28Å; I592-Q594 PolarHBondContact O-N 2.79Å; Q594-N596 PolarHBondContact O-N 3.32Å; Q594-Y597 WeakPolarHBondContact O-CB 3.09Å; Q594-Y597 PolarHBondContact O-N 3.31Å
595	N	66.5	Low	83.1	Confident	152 Å²	152	68.3 Å²	68.3	81%	0.813	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	49.7	170.7	-62.9	-20.6	0	0	0	115.3	Y597	N595-Y597 PolarHBondContact O-N 3.34Å
596	N	74.4	Confident	82.4	Confident	150 Å²	150	70.9 Å²	70.9	80%	0.802	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	18.5	-177.1	-58.8	-31.5	0	0	0	115	Q594	Q594-N596 PolarHBondContact O-N 3.32Å
597	Y	81.6	Confident	81.3	Confident	11 Å²	11	75.1 Å²	75.1	4%	0.043	39%	0.387	C	S	.	.			trans	-75.4	145.6	172.2	-154.8	-95.1	0	0	0	110.8	M590 P591 Q594 N595 L618 W622 P720	M590-Y597 HydrophobicContact CE-CE1 4.36Å; M590-Y597 WeakPolarHBondContact CE-OH 3.46Å; M590-Y597 HydrophobicContact CG-CD1 4.27Å; M590-Y597 HydrophobicContact CG-CE1 3.34Å; M590-Y597 HydrophobicContact SD-CE1 3.75Å; P591-Y597 HydrophobicContact CG-CD2 4.16Å; P591-Y597 HydrophobicContact CG-CE2 4.44Å; P591-Y597 HydrophobicContact CG-CG 4.23Å; P591-Y597 VanDerWaalsContact O-CB 3.26Å; P591-Y597 WeakPolarHBondContact O-CB 3.36Å; Q594-Y597 WeakPolarHBondContact O-CB 3.09Å; Q594-Y597 PolarHBondContact O-N 3.31Å; N595-Y597 PolarHBondContact O-N 3.34Å; Y597-L618 HydrophobicContact CE1-CD2 3.76Å; Y597-L618 WeakPolarHBondContact OH-CD2 3.36Å; Y597-W622 AromaticContact CD2-CD2 3.78Å; Y597-W622 HydrophobicContact CD2-CD2 3.78Å; Y597-W622 AromaticContact CD2-CE3 3.94Å; Y597-W622 HydrophobicContact CD2-CE3 3.94Å; Y597-W622 HydrophobicContact CD2-CG 4.14Å; Y597-W622 HydrophobicContact CD2-CZ2 4.39Å; Y597-W622 HydrophobicContact CD2-CZ3 4.35Å; Y597-W622 HydrophobicContact CE2-CB 3.9Å; Y597-W622 AromaticContact CE2-CD2 3.81Å; Y597-W622 HydrophobicContact CE2-CD2 3.81Å; Y597-W622 AromaticContact CE2-CE3 3.88Å; Y597-W622 HydrophobicContact CE2-CE3 3.88Å; Y597-W622 AromaticContact CE2-CG 3.88Å; Y597-W622 HydrophobicContact CE2-CG 3.88Å; Y597-P720 HydrophobicContact CD2-CG 3.69Å; Y597-P720 HydrophobicContact CE2-CG 3.63Å
598	P	84.1	Confident	79.9	Confident	27 Å²	27	78.4 Å²	78.4	18%	0.175	41%	0.408	C	S	.	.			trans	-62.2	143.5	-178.2	-23.3	35.2	0	0	0	112.8	L616 T617 L618 W622	P598-L616 HydrophobicContact CB-CD1 3.98Å; P598-L616 WeakPolarHBondContact O-CD1 3.38Å; P598-T617 WeakPolarHBondContact CB-O 3.48Å; P598-T617 WeakPolarHBondContact CG-O 3.49Å; P598-L618 HydrophobicContact CG-CD2 4.42Å; P598-W622 VanDerWaalsContact CD-CD1 3.46Å
599	D	85.3	Confident	78.8	Confident	82 Å²	82	83 Å²	83	44%	0.439	43%	0.427	S	S	.	.			trans	-104.3	168.2	171.4	-170.1	26.3	0	0	0	111.4	I592 D593 E601	I592-D599 WeakPolarHBondContact CG2-OD1 3.42Å; D593-D599 HydrophobicContact CB-CB 4.26Å; D599-E601 PolarHBondContact O-N 2.94Å
600	W	87.4	Confident	78.2	Confident	19 Å²	19	80.8 Å²	80.8	7%	0.072	42%	0.416	C	S	.	.			trans	-69.6	115.3	178.5	-69.7	99.6	0	0	0	112.4	M557 L573 V575 I592 R602 W614 L616 F631	M557-W600 HydrophobicContact CG-CH2 3.72Å; M557-W600 HydrophobicContact CG-CZ3 4.11Å; M557-W600 HydrophobicContact SD-CH2 3.72Å; M557-W600 HydrophobicContact SD-CZ2 4.16Å; L573-W600 HydrophobicContact CB-CZ2 4.32Å; L573-W600 HydrophobicContact CD1-CH2 4.21Å; L573-W600 HydrophobicContact CD1-CZ2 3.87Å; V575-W600 HydrophobicContact CG2-CZ2 3.9Å; I592-W600 HydrophobicContact CD1-CZ2 4.38Å; W600-R602 PolarHBondContact O-N 3.03Å; W600-W614 HydrophobicContact CB-CE3 3.82Å; W600-W614 HydrophobicContact CB-CZ3 4.19Å; W600-W614 AromaticContact CD2-CE3 3.75Å; W600-W614 HydrophobicContact CD2-CE3 3.75Å; W600-W614 HydrophobicContact CD2-CZ3 4.44Å; W600-W614 HydrophobicContact CE3-CB 3.71Å; W600-W614 HydrophobicContact CE3-CE3 4.06Å; W600-W614 AromaticContact CG-CE3 3.65Å; W600-W614 HydrophobicContact CG-CE3 3.65Å; W600-W614 HydrophobicContact CG-CZ3 4.01Å; W600-W614 HydrophobicContact CZ3-CB 4Å; W600-L616 HydrophobicContact CD2-CB 4.18Å; W600-L616 HydrophobicContact CE3-CB 3.76Å; W600-L616 HydrophobicContact CH2-CB 4.13Å; W600-L616 HydrophobicContact CZ2-CB 4.49Å; W600-L616 HydrophobicContact CZ2-CD2 4.36Å; W600-L616 HydrophobicContact CZ3-CB 3.75Å; W600-F631 HydrophobicContact CH2-CE1 4.28Å
601	E	86.6	Confident	78	Confident	60 Å²	60	81.2 Å²	81.2	28%	0.28	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.6	167.7	-66.8	-178.4	174.5	0	0	109.1	R502 D599 W614 T615	R502-E601 IonicContact CZ-OE1 3.87Å; R502-E601 IonicContact NH2-OE1 2.82Å; R502-E601 PolarHBondContact NH2-OE1 3.2Å; D599-E601 PolarHBondContact O-N 2.94Å; E601-W614 WeakPolarHBondContact O-CA 3.49Å; E601-T615 PolarHBondContact N-O 3.41Å; E601-T615 PolarHBondContact O-N 3.33Å; E601-T615 PolarHBondContact O-OG1 2.75Å
602	R	86.7	Confident	78	Confident	127 Å²	127	82.6 Å²	82.6	48%	0.479	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.9	179	-56.7	-177.5	-166.3	-170.2	2.5	110.3	D570 W600 N613 W614	D570-R602 IonicContact OD1-CZ 3.92Å; D570-R602 IonicContact OD1-NH1 2.94Å; D570-R602 PolarHBondContact OD1-NH1 3.21Å; D570-R602 IonicContact OD1-NH2 3.99Å; W600-R602 PolarHBondContact O-N 3.03Å; R602-N613 CarbonylContact C-O 3.59Å; R602-N613 WeakPolarHBondContact CA-O 3.4Å; R602-W614 HydrophobicContact CG-CD2 4.19Å; R602-W614 HydrophobicContact CG-CZ2 4.24Å; R602-W614 VanDerWaalsContact NE-CH2 3.33Å; R602-W614 VanDerWaalsContact NE-CZ2 3.34Å
603	T	84.2	Confident	78.2	Confident	72 Å²	72	82.1 Å²	82.1	44%	0.442	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126	175.2	50.7	0	0	0	0	110.8	F612 N613	T603-F612 CarbonylContact O-C 3.58Å; T603-F612 WeakPolarHBondContact O-CA 3.27Å; T603-N613 PolarHBondContact N-O 3.48Å; T603-N613 PolarHBondContact O-N 2.92Å; T603-N613 WeakPolarHBondContact OG1-CB 3.33Å
604	K	81.6	Confident	79	Confident	131 Å²	131	76.6 Å²	76.6	57%	0.57	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	133.3	179.9	-170.5	173.2	-176.3	169.5	0	110.2	D610 F612	K604-D610 WeakPolarHBondContact CE-OD1 3.17Å; K604-D610 IonicContact NZ-OD1 2.71Å; K604-D610 PolarHBondContact NZ-OD1 3.44Å; K604-F612 HydrophobicContact CB-CD1 4.09Å; K604-F612 HydrophobicContact CB-CE1 3.93Å; K604-F612 HydrophobicContact CD-CE1 4.23Å; K604-F612 HydrophobicContact CG-CD1 4.38Å; K604-F612 HydrophobicContact CG-CE1 3.97Å
605	L	80.6	Confident	79.5	Confident	55 Å²	55	71.7 Å²	71.7	29%	0.288	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-92.6	153.2	174.5	-69.9	169.2	0	0	0	110.9	Q560 C611 N613	Q560-L605 HydrophobicContact CG-CD1 4.1Å; L605-C611 HydrophobicContact CB-CB 4.03Å; L605-C611 HydrophobicContact CD1-CB 3.98Å; L605-C611 PolarHBondContact N-O 3.04Å; L605-N613 WeakPolarHBondContact CD2-ND2 3.36Å
606	D	66.9	Low	80.6	Confident	153 Å²	153	64.6 Å²	64.6	82%	0.818	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-62.7	146.8	-176.6	-72.2	-38.9	0	0	0	113.1
607	P	63.8	Low	81.2	Confident	109 Å²	109	58.7 Å²	58.7	71%	0.708	30%	0.3	S	S	*	.	S	Bend	trans	-59.6	148.3	-172	22.5	-33.2	0	0	0	113.1
608	P	58.9	Low	81.2	Confident	84 Å²	84	58.4 Å²	58.4	55%	0.545	30%	0.3	S	S	.	.	S	Bend		-110.4	-0.4	51.1	36.6	-35.7	0	0	0	117.9	K565	K565-P608 WeakPolarHBondContact CE-O 3.48Å
609	Y	66.1	Low	80.9	Confident	116 Å²	116	57.8 Å²	57.8	46%	0.455	30%	0.298	S	S	.	.	S	Bend	trans	-121.6	156.7	177	-61.6	-77.3	0	0	0	110.7	W528 C611	W528-Y609 HydrophobicContact CH2-CD1 4.18Å; W528-Y609 HydrophobicContact CZ2-CD1 4.05Å; W528-Y609 HydrophobicContact CZ2-CE1 4.13Å; W528-Y609 HydrophobicContact CZ2-CG 4.34Å; Y609-C611 PolarHBondContact O-N 3.15Å
610	D	76.9	Confident	80.5	Confident	47 Å²	47	56.1 Å²	56.1	25%	0.251	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	75.3	172.9	-73.3	-43.2	0	0	0	109.1	L563 K604 F612	L563-D610 PolarHBondContact N-O 3.45Å; L563-D610 PolarHBondContact O-N 3.43Å; K604-D610 WeakPolarHBondContact CE-OD1 3.17Å; K604-D610 IonicContact NZ-OD1 2.71Å; K604-D610 PolarHBondContact NZ-OD1 3.44Å; D610-F612 HydrophobicContact CB-CE2 3.98Å; D610-F612 HydrophobicContact CB-CZ 4.44Å
611	C	85.8	Confident	79.9	Confident	16 Å²	16	61.8 Å²	61.8	11%	0.108	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.1	175.4	-65.8	0	0	0	0	110.5	I561 C562 L605 Y609	I561-C611 CarbonylContact O-C 3.56Å; I561-C611 WeakPolarHBondContact O-CA 3.44Å; C562-C611 HydrophobicContact CB-CB 4.1Å; C562-C611 WeakPolarHBondContact CB-SG 3.29Å; C562-C611 WeakPolarHBondContact SG-CB 3.49Å; C562-C611 CovalentContact SG-SG 2.04Å; C562-C611 PolarHBondContact SG-SG 3.02Å; L605-C611 HydrophobicContact CB-CB 4.03Å; L605-C611 HydrophobicContact CD1-CB 3.98Å; L605-C611 PolarHBondContact N-O 3.04Å; Y609-C611 PolarHBondContact O-N 3.15Å
612	F	86.6	Confident	79.7	Confident	56 Å²	56	61.3 Å²	61.3	25%	0.246	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.8	177.4	-60.5	-85.8	0	0	0	109.6	I561 L563 T603 K604 D610	I561-F612 PolarHBondContact N-O 3.44Å; I561-F612 PolarHBondContact O-N 3.03Å; L563-F612 HydrophobicContact CD1-CE2 4.49Å; T603-F612 CarbonylContact O-C 3.58Å; T603-F612 WeakPolarHBondContact O-CA 3.27Å; K604-F612 HydrophobicContact CB-CD1 4.09Å; K604-F612 HydrophobicContact CB-CE1 3.93Å; K604-F612 HydrophobicContact CD-CE1 4.23Å; K604-F612 HydrophobicContact CG-CD1 4.38Å; K604-F612 HydrophobicContact CG-CE1 3.97Å; D610-F612 HydrophobicContact CB-CE2 3.98Å; D610-F612 HydrophobicContact CB-CZ 4.44Å
613	N	88.1	Confident	79.6	Confident	19 Å²	19	57.4 Å²	57.4	10%	0.102	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.9	162.9	-74.1	-31.6	0	0	0	108.3	R508 Q560 R602 T603 L605	R508-N613 PolarHBondContact NH1-OD1 3.24Å; Q560-N613 WeakPolarHBondContact CG-OD1 3.17Å; R602-N613 CarbonylContact C-O 3.59Å; R602-N613 WeakPolarHBondContact CA-O 3.4Å; T603-N613 PolarHBondContact N-O 3.48Å; T603-N613 PolarHBondContact O-N 2.92Å; T603-N613 WeakPolarHBondContact OG1-CB 3.33Å; L605-N613 WeakPolarHBondContact CD2-ND2 3.36Å
614	W	89.3	Confident	79.8	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.8	176.5	-72.3	55	0	0	0	106.9	S558 L559 I561 P571 L573 W600 E601 R602	S558-W614 CarbonylContact C-O 3.58Å; S558-W614 WeakPolarHBondContact CA-O 3.31Å; L559-W614 HydrophobicContact CB-CB 4.25Å; L559-W614 PolarHBondContact N-O 3.06Å; L559-W614 WeakPolarHBondContact O-CB 3.44Å; L559-W614 PolarHBondContact O-N 2.71Å; I561-W614 HydrophobicContact CD1-CD2 4.43Å; P571-W614 HydrophobicContact CB-CZ2 4.5Å; P571-W614 HydrophobicContact CG-CH2 4.22Å; P571-W614 HydrophobicContact CG-CZ2 3.7Å; P571-W614 WeakPolarHBondContact O-CH2 3.33Å; L573-W614 HydrophobicContact CD1-CD2 4.33Å; L573-W614 HydrophobicContact CD1-CE3 3.61Å; L573-W614 HydrophobicContact CD1-CZ3 3.9Å; L573-W614 HydrophobicContact CG-CZ3 4.38Å; W600-W614 HydrophobicContact CB-CE3 3.82Å; W600-W614 HydrophobicContact CB-CZ3 4.19Å; W600-W614 AromaticContact CD2-CE3 3.75Å; W600-W614 HydrophobicContact CD2-CE3 3.75Å; W600-W614 HydrophobicContact CD2-CZ3 4.44Å; W600-W614 HydrophobicContact CE3-CB 3.71Å; W600-W614 HydrophobicContact CE3-CE3 4.06Å; W600-W614 AromaticContact CG-CE3 3.65Å; W600-W614 HydrophobicContact CG-CE3 3.65Å; W600-W614 HydrophobicContact CG-CZ3 4.01Å; W600-W614 HydrophobicContact CZ3-CB 4Å; E601-W614 WeakPolarHBondContact O-CA 3.49Å; R602-W614 HydrophobicContact CG-CD2 4.19Å; R602-W614 HydrophobicContact CG-CZ2 4.24Å; R602-W614 VanDerWaalsContact NE-CH2 3.33Å; R602-W614 VanDerWaalsContact NE-CZ2 3.34Å
615	T	88.5	Confident	80.2	Confident	16 Å²	16	47.9 Å²	47.9	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127	179.4	46.7	0	0	0	0	109.8	E601	E601-T615 PolarHBondContact N-O 3.41Å; E601-T615 PolarHBondContact O-N 3.33Å; E601-T615 PolarHBondContact O-OG1 2.75Å
616	L	89	Confident	80.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.7	174.6	-177.2	69	0	0	0	108.8	G556 M557 M590 I592 P598 W600 L618	G556-L616 WeakPolarHBondContact CA-O 3.34Å; M557-L616 HydrophobicContact CE-CD2 4.17Å; M557-L616 HydrophobicContact CG-CB 3.8Å; M557-L616 HydrophobicContact CG-CD2 4.15Å; M557-L616 PolarHBondContact N-O 3.38Å; M557-L616 PolarHBondContact O-N 2.87Å; M557-L616 HydrophobicContact SD-CD2 4.01Å; M590-L616 HydrophobicContact CE-CD2 4.46Å; M590-L616 HydrophobicContact SD-CD2 3.43Å; M590-L616 WeakPolarHBondContact SD-CD2 3.23Å; I592-L616 HydrophobicContact CD1-CD2 4.36Å; P598-L616 HydrophobicContact CB-CD1 3.98Å; P598-L616 WeakPolarHBondContact O-CD1 3.38Å; W600-L616 HydrophobicContact CD2-CB 4.18Å; W600-L616 HydrophobicContact CE3-CB 3.76Å; W600-L616 HydrophobicContact CH2-CB 4.13Å; W600-L616 HydrophobicContact CZ2-CB 4.49Å; W600-L616 HydrophobicContact CZ2-CD2 4.36Å; W600-L616 HydrophobicContact CZ3-CB 3.75Å; L616-L618 HydrophobicContact CD2-CD2 4.23Å; L616-L618 HydrophobicContact CG-CD2 4.22Å
617	T	86.8	Confident	81.7	Confident	27 Å²	27	39 Å²	39	17%	0.166	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.4	-176.4	59.6	0	0	0	0	110	L505 P598	L505-T617 HydrophobicContact CB-CG2 4.2Å; L505-T617 HydrophobicContact CD1-CG2 3.92Å; P598-T617 WeakPolarHBondContact CB-O 3.48Å; P598-T617 WeakPolarHBondContact CG-O 3.49Å
618	L	82.5	Confident	82.9	Confident	5 Å²	5	34 Å²	34	3%	0.026	17%	0.168	C	C	.	.			trans	-88.8	-33.2	-177.6	-60	-179.3	0	0	0	112.3	L554 L555 M590 Y597 P598 L616 W622	L554-L618 HydrophobicContact CD2-CD1 3.86Å; L554-L618 HydrophobicContact CG-CD1 3.86Å; L555-L618 WeakPolarHBondContact O-CB 3.29Å; L555-L618 PolarHBondContact O-N 3.03Å; M590-L618 HydrophobicContact CE-CD1 3.86Å; M590-L618 HydrophobicContact CE-CD2 4.09Å; M590-L618 HydrophobicContact SD-CD2 4.37Å; Y597-L618 HydrophobicContact CE1-CD2 3.76Å; Y597-L618 WeakPolarHBondContact OH-CD2 3.36Å; P598-L618 HydrophobicContact CG-CD2 4.42Å; L616-L618 HydrophobicContact CD2-CD2 4.23Å; L616-L618 HydrophobicContact CG-CD2 4.22Å; L618-W622 HydrophobicContact CB-CB 4Å; L618-W622 HydrophobicContact CD2-CB 4.34Å; L618-W622 WeakPolarHBondContact O-CB 3.49Å; L618-W622 PolarHBondContact O-N 3.28Å
619	G	77.1	Confident	84.5	Confident	14 Å²	14	30 Å²	30	14%	0.144	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	-171.5	-176.7	0	0	0	0	0	113	L555 K621 K623	L555-G619 PolarHBondContact O-N 2.95Å; G619-K621 VanDerWaalsContact C-N 3.27Å; G619-K621 PolarHBondContact O-N 2.87Å; G619-K623 PolarHBondContact O-N 3.12Å
620	N	77.1	Confident	85.7	Confident	46 Å²	46	24.8 Å²	24.8	25%	0.246	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.1	173.3	-75.1	-60.6	0	0	0	113.4	L496 D498 K623	L496-N620 PolarHBondContact O-ND2 3.38Å; D498-N620 WeakPolarHBondContact OD1-CB 3.45Å; D498-N620 PolarHBondContact OD1-N 3.27Å; D498-N620 PolarHBondContact OD1-ND2 3Å; N620-K623 PolarHBondContact OD1-NZ 3.47Å
621	K	75.9	Confident	86.4	Confident	138 Å²	138	22.6 Å²	22.6	60%	0.6	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-40.1	-180	-174	176.8	178.5	178.6	0	112.6	G619	G619-K621 VanDerWaalsContact C-N 3.27Å; G619-K621 PolarHBondContact O-N 2.87Å
622	W	80.9	Confident	86.5	Confident	51 Å²	51	23.5 Å²	23.5	19%	0.193	11%	0.112	C	C	.	.	S	Bend	trans	-115.4	19.3	-172.7	-53.4	116.8	0	0	0	113.7	Y597 P598 L618 P720	Y597-W622 AromaticContact CD2-CD2 3.78Å; Y597-W622 HydrophobicContact CD2-CD2 3.78Å; Y597-W622 AromaticContact CD2-CE3 3.94Å; Y597-W622 HydrophobicContact CD2-CE3 3.94Å; Y597-W622 HydrophobicContact CD2-CG 4.14Å; Y597-W622 HydrophobicContact CD2-CZ2 4.39Å; Y597-W622 HydrophobicContact CD2-CZ3 4.35Å; Y597-W622 HydrophobicContact CE2-CB 3.9Å; Y597-W622 AromaticContact CE2-CD2 3.81Å; Y597-W622 HydrophobicContact CE2-CD2 3.81Å; Y597-W622 AromaticContact CE2-CE3 3.88Å; Y597-W622 HydrophobicContact CE2-CE3 3.88Å; Y597-W622 AromaticContact CE2-CG 3.88Å; Y597-W622 HydrophobicContact CE2-CG 3.88Å; P598-W622 VanDerWaalsContact CD-CD1 3.46Å; L618-W622 HydrophobicContact CB-CB 4Å; L618-W622 HydrophobicContact CD2-CB 4.34Å; L618-W622 WeakPolarHBondContact O-CB 3.49Å; L618-W622 PolarHBondContact O-N 3.28Å; W622-P720 HydrophobicContact CE3-CB 4.33Å; W622-P720 HydrophobicContact CE3-CG 3.83Å; W622-P720 HydrophobicContact CH2-CB 4.36Å; W622-P720 HydrophobicContact CH2-CG 4.44Å; W622-P720 HydrophobicContact CZ3-CB 3.65Å; W622-P720 HydrophobicContact CZ3-CG 3.62Å
623	K	85.1	Confident	86.5	Confident	45 Å²	45	21 Å²	21	20%	0.196	10%	0.101	C	C	.	.			trans	-67.8	144.6	179.6	71.8	-179.4	176.7	-177.3	0	112	M553 L554 L555 G619 N620 Y675 L717	M553-K623 HydrophobicContact CG-CB 4.1Å; M553-K623 HydrophobicContact CG-CD 4.14Å; M553-K623 HydrophobicContact CG-CG 4.39Å; M553-K623 HydrophobicContact SD-CB 3.84Å; M553-K623 HydrophobicContact SD-CD 4.07Å; M553-K623 HydrophobicContact SD-CG 3.84Å; L554-K623 WeakPolarHBondContact O-CA 3.38Å; L555-K623 HydrophobicContact CD2-CB 3.63Å; L555-K623 HydrophobicContact CD2-CD 4.14Å; G619-K623 PolarHBondContact O-N 3.12Å; N620-K623 PolarHBondContact OD1-NZ 3.47Å; K623-Y675 PolarHBondContact NZ-OH 2.95Å; K623-L717 HydrophobicContact CG-CD2 4Å
624	T	88.3	Confident	86.3	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.2	-175.4	-167.9	0	0	0	0	111.6	M553 L554 I577 W588 L717	M553-T624 PolarHBondContact SD-N 2.89Å; M553-T624 VanDerWaalsContact SD-N 3.42Å; M553-T624 VanDerWaalsContact SD-O 3.35Å; L554-T624 HydrophobicContact CB-CG2 4.29Å; L554-T624 WeakPolarHBondContact CB-O 3.15Å; L554-T624 HydrophobicContact CD2-CG2 4.3Å; L554-T624 PolarHBondContact N-O 2.96Å; L554-T624 PolarHBondContact O-N 2.94Å; I577-T624 HydrophobicContact CD1-CG2 4.22Å; W588-T624 HydrophobicContact CH2-CG2 4.44Å; W588-T624 HydrophobicContact CZ2-CG2 3.76Å; T624-L717 PolarHBondContact OG1-O 2.78Å
625	F	89.4	Confident	85.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.7	176.7	-69.3	-63.6	0	0	0	111.6	F492 V551 H552 M553 I577 P579 F580 M677 V714 L717 L727	F492-F625 HydrophobicContact CE1-CZ 4.07Å; V551-F625 HydrophobicContact CB-CE1 4.48Å; V551-F625 HydrophobicContact CG1-CD1 3.26Å; V551-F625 HydrophobicContact CG1-CE1 3.46Å; V551-F625 VanDerWaalsContact CG1-CE1 3.46Å; V551-F625 HydrophobicContact CG1-CG 4.2Å; H552-F625 WeakPolarHBondContact O-CA 3.42Å; M553-F625 HydrophobicContact CE-CD1 4.09Å; M553-F625 HydrophobicContact CE-CE1 3.84Å; M553-F625 HydrophobicContact CE-CZ 4.27Å; I577-F625 WeakPolarHBondContact CG2-O 3.04Å; P579-F625 HydrophobicContact CB-CB 3.76Å; F580-F625 HydrophobicContact CE1-CB 4.2Å; F580-F625 HydrophobicContact CE1-CD1 4.31Å; F580-F625 HydrophobicContact CE1-CD2 4.28Å; F580-F625 HydrophobicContact CE1-CG 4.02Å; F580-F625 HydrophobicContact CE2-CD2 4.41Å; F580-F625 HydrophobicContact CZ-CB 4.03Å; F580-F625 HydrophobicContact CZ-CD1 4.41Å; F580-F625 AromaticContact CZ-CD2 3.6Å; F580-F625 HydrophobicContact CZ-CD2 3.6Å; F580-F625 HydrophobicContact CZ-CE2 4.09Å; F580-F625 AromaticContact CZ-CG 3.76Å; F580-F625 HydrophobicContact CZ-CG 3.76Å; F625-M677 HydrophobicContact CE1-CE 4.24Å; F625-M677 HydrophobicContact CE1-SD 4.09Å; F625-M677 HydrophobicContact CZ-CE 4.48Å; F625-V714 HydrophobicContact CE2-CG1 4.09Å; F625-L717 HydrophobicContact CD2-CB 4.23Å; F625-L717 HydrophobicContact CD2-CD1 4.07Å; F625-L717 HydrophobicContact CE1-CD1 4.26Å; F625-L717 HydrophobicContact CE2-CB 4.12Å; F625-L717 HydrophobicContact CE2-CD1 3.33Å; F625-L717 HydrophobicContact CE2-CG 4.37Å; F625-L717 HydrophobicContact CZ-CD1 3.46Å; F625-L717 VanDerWaalsContact CZ-CD1 3.46Å; F625-L727 HydrophobicContact CD2-CD1 4.22Å
626	F	89.9	Confident	85	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.013	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141.8	169.7	82.2	-74.6	0	0	0	112	I514 H552 L554 I577 P579 V629 V672	I514-F626 HydrophobicContact CB-CZ 4.03Å; I514-F626 HydrophobicContact CD1-CE1 3.47Å; I514-F626 VanDerWaalsContact CD1-CE1 3.47Å; I514-F626 HydrophobicContact CD1-CZ 3.49Å; I514-F626 VanDerWaalsContact CD1-CZ 3.49Å; I514-F626 HydrophobicContact CG1-CZ 4.37Å; I514-F626 HydrophobicContact CG2-CZ 3.88Å; H552-F626 HydrophobicContact CB-CD1 3.95Å; H552-F626 HydrophobicContact CB-CE1 3.52Å; H552-F626 HydrophobicContact CB-CZ 3.88Å; H552-F626 WeakPolarHBondContact CB-O 3.39Å; H552-F626 PolarHBondContact O-N 3.42Å; L554-F626 HydrophobicContact CB-CB 4.29Å; L554-F626 HydrophobicContact CB-CD1 3.54Å; L554-F626 HydrophobicContact CB-CE1 4.15Å; L554-F626 HydrophobicContact CB-CG 4.13Å; L554-F626 HydrophobicContact CD1-CD1 4.39Å; I577-F626 HydrophobicContact CG2-CB 3.95Å; P579-F626 CarbonylContact O-C 3.57Å; F626-V629 HydrophobicContact CB-CG2 4.22Å; F626-V629 HydrophobicContact CD2-CG2 3.8Å; F626-V629 HydrophobicContact CG-CG2 4.32Å; F626-V672 HydrophobicContact CD2-CG1 4.32Å; F626-V672 HydrophobicContact CE1-CG1 3.93Å; F626-V672 HydrophobicContact CE2-CB 4.37Å; F626-V672 HydrophobicContact CE2-CG1 3.59Å; F626-V672 HydrophobicContact CZ-CB 4.42Å; F626-V672 HydrophobicContact CZ-CG1 3.35Å
627	E	89.1	Confident	84.1	Confident	19 Å²	19	28.1 Å²	28.1	9%	0.089	13%	0.128	C	C	.	.	S	Bend	trans	-119.3	-40.8	163.4	-179.9	163.2	166.9	0	0	110.4	K542 S543 N578 P579 F580 R735	K542-E627 WeakPolarHBondContact CA-O 3.47Å; S543-E627 PolarHBondContact N-O 3.04Å; S543-E627 PolarHBondContact OG-O 2.82Å; N578-E627 PolarHBondContact O-N 3.33Å; P579-E627 PolarHBondContact O-N 2.96Å; F580-E627 WeakPolarHBondContact CA-OE2 3.34Å; E627-R735 VanDerWaalsContact CD-NH2 3.26Å; E627-R735 IonicContact OE1-NH2 2.81Å; E627-R735 IonicContact OE2-CZ 3.76Å; E627-R735 IonicContact OE2-NE 2.87Å; E627-R735 PolarHBondContact OE2-NE 3.26Å; E627-R735 IonicContact OE2-NH2 3.76Å; E627-R735 PolarHBondContact OE2-NH2 3.34Å
628	T	90.3	Very high	83.1	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130	179.1	-48.9	0	0	0	0	110	T540 L541 N578 G581 G582 H630	T540-T628 HydrophobicContact CG2-CG2 3.25Å; L541-T628 CarbonylContact O-C 3.4Å; L541-T628 WeakPolarHBondContact O-CA 3.08Å; N578-T628 PolarHBondContact N-O 3.08Å; N578-T628 PolarHBondContact O-N 3.24Å; N578-T628 VanDerWaalsContact O-N 3.14Å; G581-T628 WeakPolarHBondContact O-CB 3.41Å; G581-T628 PolarHBondContact O-OG1 3.41Å; G582-T628 WeakPolarHBondContact CA-OG1 3.1Å; T628-H630 VanDerWaalsContact CG2-CE1 3.47Å; T628-H630 WeakPolarHBondContact CG2-CE1 3.47Å
629	V	92.1	Very high	82.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.6	174.9	-173.2	0	0	0	0	108.7	T540 L541 V575 I577 F626 F631 V672	T540-V629 CarbonylContact C-O 3.59Å; T540-V629 WeakPolarHBondContact CA-O 3.16Å; L541-V629 PolarHBondContact N-O 2.78Å; L541-V629 PolarHBondContact O-N 3.01Å; V575-V629 HydrophobicContact CG1-CG1 3.57Å; I577-V629 HydrophobicContact CG1-CG1 4.4Å; F626-V629 HydrophobicContact CB-CG2 4.22Å; F626-V629 HydrophobicContact CD2-CG2 3.8Å; F626-V629 HydrophobicContact CG-CG2 4.32Å; V629-F631 HydrophobicContact CB-CE2 4.02Å; V629-F631 HydrophobicContact CB-CZ 4.45Å; V629-F631 HydrophobicContact CG1-CD2 4.14Å; V629-F631 HydrophobicContact CG1-CE1 4.32Å; V629-F631 HydrophobicContact CG1-CE2 3.49Å; V629-F631 VanDerWaalsContact CG1-CE2 3.49Å; V629-F631 HydrophobicContact CG1-CZ 3.6Å; V629-V672 HydrophobicContact CG2-CG2 4.44Å
630	H	91.5	Very high	81	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.032	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.6	179.6	-61.5	-67.2	0	0	0	109.5	L538 L539 T540 V575 Y576 S587 T628 Y632	L538-H630 HydrophobicContact CD1-CB 3.87Å; L539-H630 CarbonylContact O-C 3.57Å; T540-H630 WeakPolarHBondContact CG2-ND1 3.46Å; T540-H630 PolarHBondContact OG1-ND1 2.82Å; V575-H630 WeakPolarHBondContact CA-O 3.35Å; Y576-H630 PolarHBondContact N-O 3.46Å; Y576-H630 PolarHBondContact O-N 2.85Å; S587-H630 PolarHBondContact OG-CD2 2.81Å; T628-H630 VanDerWaalsContact CG2-CE1 3.47Å; T628-H630 WeakPolarHBondContact CG2-CE1 3.47Å; H630-Y632 HydrophobicContact CB-CE2 4.49Å
631	F	90.6	Very high	79.6	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.2	173.2	-53.9	-102.5	0	0	0	109.1	L539 L541 M557 V575 W600 V629 I670	L539-F631 HydrophobicContact CB-CB 4.12Å; L539-F631 HydrophobicContact CD1-CB 4.36Å; L539-F631 PolarHBondContact N-O 3.29Å; L539-F631 PolarHBondContact O-N 3.18Å; L541-F631 HydrophobicContact CB-CE2 4.46Å; M557-F631 HydrophobicContact SD-CE1 3.5Å; M557-F631 VanDerWaalsContact SD-CE1 3.5Å; M557-F631 HydrophobicContact SD-CZ 3.85Å; V575-F631 HydrophobicContact CG1-CD1 4.44Å; V575-F631 HydrophobicContact CG1-CE1 4.33Å; V575-F631 HydrophobicContact CG2-CD1 3.76Å; V575-F631 HydrophobicContact CG2-CE1 3.98Å; W600-F631 HydrophobicContact CH2-CE1 4.28Å; V629-F631 HydrophobicContact CB-CE2 4.02Å; V629-F631 HydrophobicContact CB-CZ 4.45Å; V629-F631 HydrophobicContact CG1-CD2 4.14Å; V629-F631 HydrophobicContact CG1-CE1 4.32Å; V629-F631 HydrophobicContact CG1-CE2 3.49Å; V629-F631 VanDerWaalsContact CG1-CE2 3.49Å; V629-F631 HydrophobicContact CG1-CZ 3.6Å; F631-I670 HydrophobicContact CE2-CG2 3.98Å; F631-I670 HydrophobicContact CZ-CG2 4.11Å
632	Y	88.8	Confident	78.7	Confident	35 Å²	35	36.6 Å²	36.6	14%	0.137	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.3	166.2	-75.3	-87	0	0	0	109.1	R536 M537 L538 L573 S574 Y576 H584 H630	R536-Y632 HydrophobicContact CB-CD1 4.27Å; M537-Y632 WeakPolarHBondContact O-CA 3.46Å; L538-Y632 HydrophobicContact CB-CE1 4.37Å; L538-Y632 HydrophobicContact CD1-CD1 4.42Å; L538-Y632 HydrophobicContact CD1-CD2 4.25Å; L538-Y632 HydrophobicContact CD1-CE1 4Å; L538-Y632 HydrophobicContact CD1-CE2 3.8Å; L573-Y632 WeakPolarHBondContact CA-O 3.31Å; S574-Y632 PolarHBondContact N-O 3.13Å; S574-Y632 PolarHBondContact O-N 3.06Å; Y576-Y632 AromaticContact CD2-CD2 3.36Å; Y576-Y632 HydrophobicContact CD2-CD2 3.36Å; Y576-Y632 AromaticContact CD2-CE2 3.58Å; Y576-Y632 HydrophobicContact CD2-CE2 3.58Å; Y576-Y632 AromaticContact CE2-CD2 3.36Å; Y576-Y632 HydrophobicContact CE2-CD2 3.36Å; Y576-Y632 AromaticContact CE2-CE2 3.7Å; Y576-Y632 HydrophobicContact CE2-CE2 3.7Å; Y576-Y632 HydrophobicContact CE2-CG 4.28Å; Y576-Y632 HydrophobicContact CG-CD2 4.44Å; Y576-Y632 HydrophobicContact CG-CE2 4.29Å; H584-Y632 AromaticContact CD2-CE2 3.64Å; H584-Y632 AromaticContact CD2-CZ 3.79Å; H584-Y632 PolarHBondContact CD2-OH 3Å; H584-Y632 AromaticContact CE1-CZ 3.97Å; H584-Y632 PolarHBondContact CE1-OH 2.81Å; H584-Y632 VanDerWaalsContact CE1-OH 3.27Å; H584-Y632 AromaticContact NE2-CE2 3.13Å; H584-Y632 WeakPolarHBondContact NE2-CE2 3.28Å; H584-Y632 AromaticContact NE2-CZ 3.39Å; H584-Y632 PolarHBondContact NE2-OH 3.15Å; H630-Y632 HydrophobicContact CB-CE2 4.49Å
633	L	86.4	Confident	77.3	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.6	171.8	178.6	67.2	0	0	0	109	F529 M537 L539 P571 L573 M665 I667	F529-L633 HydrophobicContact CE2-CD2 4.39Å; F529-L633 HydrophobicContact CZ-CD2 3.99Å; M537-L633 HydrophobicContact CB-CB 4.41Å; M537-L633 PolarHBondContact N-O 3.2Å; M537-L633 PolarHBondContact O-N 3.08Å; L539-L633 HydrophobicContact CD1-CB 4.45Å; P571-L633 HydrophobicContact CB-CD1 3.8Å; L573-L633 HydrophobicContact CD2-CB 4.18Å; L573-L633 HydrophobicContact CD2-CD1 3.69Å; L573-L633 HydrophobicContact CG-CD1 4.46Å; L633-M665 HydrophobicContact CD1-SD 4.31Å; L633-M665 HydrophobicContact CD2-SD 3.67Å; L633-I667 HydrophobicContact CD2-CD1 4.1Å
634	R	83.1	Confident	75.7	Confident	53 Å²	53	42.7 Å²	42.7	20%	0.2	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.5	165.2	-59.5	-168.1	-162.5	171.6	13.7	108.4	R536 M572 E651	R536-R634 HydrophobicContact CG-CG 4.17Å; R536-R634 VanDerWaalsContact NE-CZ 3.26Å; R536-R634 VanDerWaalsContact NE-NH2 3.19Å; R536-R634 VanDerWaalsContact NH2-NH2 3.2Å; M572-R634 PolarHBondContact N-O 3.19Å; M572-R634 PolarHBondContact O-N 3.01Å; R634-E651 IonicContact NH1-OE1 3.5Å
635	S	75.9	Confident	73.7	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.5	170.8	-60.5	0	0	0	0	109	P531 P652 M665	P531-S635 WeakPolarHBondContact CB-OG 3.31Å; S635-P652 WeakPolarHBondContact O-CD 3.46Å; S635-P652 WeakPolarHBondContact O-CG 3.35Å; S635-M665 WeakPolarHBondContact OG-CE 3.12Å
636	R	75.6	Confident	71.4	Confident	98 Å²	98	52.8 Å²	52.8	37%	0.37	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.6	171.2	-67.1	179.1	174.3	-176.6	-2.2	109	L569 D570 M572 Y649	L569-R636 CarbonylContact C-O 3.21Å; L569-R636 WeakPolarHBondContact CA-O 3.48Å; D570-R636 PolarHBondContact N-O 3.4Å; D570-R636 PolarHBondContact O-N 2.98Å; M572-R636 PolarHBondContact SD-NH2 3.38Å; R636-Y649 HydrophobicContact CB-CD1 4.05Å
637	I	70.1	Confident	69.6	Low	30 Å²	30	55.1 Å²	55.1	15%	0.154	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.1	174.9	-56	172.8	0	0	0	108.2	G639 Y649 F650 P652 L662	I637-G639 PolarHBondContact O-N 3.18Å; I637-Y649 WeakPolarHBondContact O-CA 3.34Å; I637-F650 PolarHBondContact N-O 3.25Å; I637-F650 PolarHBondContact O-N 3.1Å; I637-F650 VanDerWaalsContact O-N 3.08Å; I637-P652 HydrophobicContact CD1-CB 4.08Å; I637-P652 HydrophobicContact CD1-CG 4.36Å; I637-P652 HydrophobicContact CG1-CB 4.28Å; I637-P652 HydrophobicContact CG1-CG 4.02Å; I637-L662 HydrophobicContact CD1-CD1 3.72Å; I637-L662 HydrophobicContact CD1-CD2 3.64Å; I637-L662 HydrophobicContact CD1-CG 4.35Å; I637-L662 HydrophobicContact CG1-CD1 4.19Å; I637-L662 HydrophobicContact CG1-CD2 4.05Å; I637-L662 HydrophobicContact CG2-CD2 4.3Å
638	R	65.9	Low	67.8	Low	153 Å²	153	57 Å²	57	58%	0.577	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	102	172.7	-160.3	178.3	-151.6	-178.4	6.3	109.1	T568	T568-R638 WeakPolarHBondContact O-CB 3.47Å; T568-R638 PolarHBondContact O-N 3.27Å
639	G	60.6	Low	66.3	Low	11 Å²	11	61.4 Å²	61.4	11%	0.113	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	148.8	177.4	0	0	0	0	0	113	I637 S641 V648	I637-G639 PolarHBondContact O-N 3.18Å; G639-S641 PolarHBondContact O-N 3.22Å; G639-V648 PolarHBondContact N-O 3.06Å; G639-V648 PolarHBondContact O-N 3.46Å; G639-V648 VanDerWaalsContact O-N 3.13Å
640	P	54.2	Low	64.6	Low	128 Å²	128	66.1 Å²	66.1	83%	0.831	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	128.2	169.9	27.2	-30.7	0	0	0	110
641	S	48.8	Very low	63.1	Low	31 Å²	31	68.6 Å²	68.6	22%	0.217	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-74	143.8	171.5	69	0	0	0	0	111.1	G639 N643 G646	G639-S641 PolarHBondContact O-N 3.22Å; S641-N643 PolarHBondContact O-N 3.32Å; S641-N643 PolarHBondContact OG-O 2.53Å; S641-G646 WeakPolarHBondContact CB-O 3.44Å; S641-G646 PolarHBondContact N-O 2.76Å; S641-G646 PolarHBondContact OG-N 3.31Å; S641-G646 PolarHBondContact OG-O 3.27Å
642	G	56.3	Low	61.5	Low	85 Å²	85	69.1 Å²	69.1	88%	0.876	40%	0.397	S	S	*	.	S	Bend	trans	-68.7	-6	172.8	0	0	0	0	0	114.7
643	N	52	Low	60	Low	152 Å²	152	71.2 Å²	71.2	81%	0.813	41%	0.411	S	S	*	.	S	Bend	trans	-126.4	75.4	177.8	-94	-3.9	0	0	0	110.4	S641 N645	S641-N643 PolarHBondContact O-N 3.32Å; S641-N643 PolarHBondContact OG-O 2.53Å; N643-N645 VanDerWaalsContact C-N 3.26Å; N643-N645 PolarHBondContact O-N 2.82Å
644	G	49.9	Very low	58.6	Low	72 Å²	72	77.6 Å²	77.6	74%	0.742	44%	0.44	S	S	*	.	S	Bend	trans	58.6	-18	142.6	0	0	0	0	0	122.3
645	N	46.4	Very low	57.1	Low	173 Å²	173	84.8 Å²	84.8	93%	0.925	47%	0.469	S	S	*	.	S	Bend	trans	-162.5	23.8	-178.3	-96	-19.7	0	0	0	114.7	N643	N643-N645 VanDerWaalsContact C-N 3.26Å; N643-N645 PolarHBondContact O-N 2.82Å
646	G	42.6	Very low	56.1	Low	42 Å²	42	88 Å²	88	43%	0.433	49%	0.485	S	S	.	.			trans	-123.9	149	170.7	0	0	0	0	0	112.8	S641	S641-G646 WeakPolarHBondContact CB-O 3.44Å; S641-G646 PolarHBondContact N-O 2.76Å; S641-G646 PolarHBondContact OG-N 3.31Å; S641-G646 PolarHBondContact OG-O 3.27Å
647	S	51.8	Low	54.9	Low	51 Å²	51	90.9 Å²	90.9	36%	0.357	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.8	160.9	55.3	0	0	0	0	108.5
648	V	51	Low	53.7	Low	58 Å²	58	96.2 Å²	96.2	35%	0.352	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.8	175.8	-174.3	0	0	0	0	108.2	G639 F650	G639-V648 PolarHBondContact N-O 3.06Å; G639-V648 PolarHBondContact O-N 3.46Å; G639-V648 VanDerWaalsContact O-N 3.13Å; V648-F650 HydrophobicContact CB-CD2 4.5Å; V648-F650 HydrophobicContact CB-CE2 3.72Å; V648-F650 HydrophobicContact CB-CZ 3.92Å; V648-F650 HydrophobicContact CG1-CD1 4.46Å; V648-F650 HydrophobicContact CG1-CD2 4.19Å; V648-F650 HydrophobicContact CG1-CE1 3.83Å; V648-F650 HydrophobicContact CG1-CE2 3.53Å; V648-F650 HydrophobicContact CG1-CZ 3.33Å
649	Y	58.1	Low	53.1	Low	96 Å²	96	92.5 Å²	92.5	38%	0.376	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.7	178.9	-68.8	-85.4	0	0	0	109.8	D570 R636 I637	D570-Y649 HydrophobicContact CB-CE1 4.24Å; D570-Y649 WeakPolarHBondContact OD2-CE1 3.41Å; R636-Y649 HydrophobicContact CB-CD1 4.05Å; I637-Y649 WeakPolarHBondContact O-CA 3.34Å
650	F	58	Low	53.1	Low	100 Å²	100	98.8 Å²	98.8	44%	0.439	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.9	145	176	-60.1	-82.6	0	0	0	110.7	I637 V648	I637-F650 PolarHBondContact N-O 3.25Å; I637-F650 PolarHBondContact O-N 3.1Å; I637-F650 VanDerWaalsContact O-N 3.08Å; V648-F650 HydrophobicContact CB-CD2 4.5Å; V648-F650 HydrophobicContact CB-CE2 3.72Å; V648-F650 HydrophobicContact CB-CZ 3.92Å; V648-F650 HydrophobicContact CG1-CD1 4.46Å; V648-F650 HydrophobicContact CG1-CD2 4.19Å; V648-F650 HydrophobicContact CG1-CE1 3.83Å; V648-F650 HydrophobicContact CG1-CE2 3.53Å; V648-F650 HydrophobicContact CG1-CZ 3.33Å
651	E	59.7	Low	53.5	Low	59 Å²	59	99.7 Å²	99.7	28%	0.276	57%	0.573	S	S	.	*			trans	-79.4	128.8	172.9	-126.8	178.2	-157.9	0	0	109.1	R634 L653 E654	R634-E651 IonicContact NH1-OE1 3.5Å; E651-L653 PolarHBondContact O-N 3.35Å; E651-E654 PolarHBondContact O-N 3.42Å; E651-E654 VanDerWaalsContact O-N 3.16Å
652	P	56.2	Low	54.4	Low	11 Å²	11	98.8 Å²	98.8	7%	0.071	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-57	-22.3	-168.5	-25.7	29.2	0	0	0	116.3	S635 I637 L656 L662	S635-P652 WeakPolarHBondContact O-CD 3.46Å; S635-P652 WeakPolarHBondContact O-CG 3.35Å; I637-P652 HydrophobicContact CD1-CB 4.08Å; I637-P652 HydrophobicContact CD1-CG 4.36Å; I637-P652 HydrophobicContact CG1-CB 4.28Å; I637-P652 HydrophobicContact CG1-CG 4.02Å; P652-L656 WeakPolarHBondContact O-CD1 3.43Å; P652-L656 VanDerWaalsContact O-CG 3.31Å; P652-L656 WeakPolarHBondContact O-CG 3.48Å; P652-L662 HydrophobicContact CB-CD1 4.28Å
653	L	58.2	Low	55.4	Low	80 Å²	80	95.3 Å²	95.3	42%	0.419	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.8	-174.6	-80.1	166.3	0	0	0	114.3	K535 E651	K535-L653 HydrophobicContact CB-CD1 3.68Å; K535-L653 HydrophobicContact CD-CD1 3.86Å; K535-L653 HydrophobicContact CG-CB 4.43Å; K535-L653 HydrophobicContact CG-CD1 3.41Å; K535-L653 VanDerWaalsContact CG-CD1 3.41Å; K535-L653 HydrophobicContact CG-CG 4.49Å; E651-L653 PolarHBondContact O-N 3.35Å
654	E	55.8	Low	56.9	Low	138 Å²	138	92.9 Å²	92.9	65%	0.645	51%	0.51	S	S	*	.	S	Bend	trans	-90	-11.2	-178.4	-70	-176.5	159.5	0	0	113.6	E651	E651-E654 PolarHBondContact O-N 3.42Å; E651-E654 VanDerWaalsContact O-N 3.16Å
655	Y	53	Low	58.6	Low	203 Å²	203	89.5 Å²	89.5	80%	0.796	47%	0.474	S	S	*	.	S	Bend	trans	-152.9	41.3	-165.8	-125	-85.5	0	0	0	116.1
656	L	54.5	Low	60.6	Low	77 Å²	77	83.6 Å²	83.6	40%	0.403	44%	0.44	S	S	.	.			trans	-100.4	112.5	179.3	-80.5	170	0	0	0	113.8	P652 L662	P652-L656 WeakPolarHBondContact O-CD1 3.43Å; P652-L656 VanDerWaalsContact O-CG 3.31Å; P652-L656 WeakPolarHBondContact O-CG 3.48Å; L656-L662 HydrophobicContact CD1-CD1 4.33Å; L656-L662 HydrophobicContact CD2-CD1 4.15Å
657	E	50.2	Low	62.9	Low	159 Å²	159	81.6 Å²	81.6	74%	0.743	42%	0.42	S	S	*	.			trans	-69.7	138.3	148.4	-74.2	-169.6	155.7	0	0	109.3	G659	E657-G659 PolarHBondContact O-N 3.09Å
658	P	45.5	Very low	64.6	Low	142 Å²	142	80.5 Å²	80.5	92%	0.922	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	96	-179.3	27	-31.4	0	0	0	110.7
659	G	52.2	Low	66.4	Low	74 Å²	74	79.1 Å²	79.1	76%	0.763	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	163	-12.2	173.3	0	0	0	0	0	117.8	E657 N661	E657-G659 PolarHBondContact O-N 3.09Å; G659-N661 PolarHBondContact O-N 3.22Å
660	Q	59.9	Low	67.9	Low	143 Å²	143	75.3 Å²	75.3	67%	0.668	39%	0.389	S	S	*	.			trans	-87.3	110.5	178.4	-78.9	-177.2	-1.5	0	0	112.2	L662	Q660-L662 PolarHBondContact O-N 3.29Å; Q660-L662 VanDerWaalsContact O-N 3.1Å
661	N	62.9	Low	69.4	Low	148 Å²	148	73.8 Å²	73.8	79%	0.791	38%	0.383	S	S	*	.			trans	-69.2	100.7	169.8	-87.5	-20.1	0	0	0	110.4	G659 G663	G659-N661 PolarHBondContact O-N 3.22Å; N661-G663 PolarHBondContact O-N 3.35Å
662	L	69.1	Low	70.8	Confident	11 Å²	11	71 Å²	71	6%	0.058	37%	0.37	C	S	.	.			trans	-71.4	-17.6	177.1	-60.1	173.3	0	0	0	113	S567 T568 L569 I637 P652 L656 Q660	S567-L662 PolarHBondContact OG-O 2.89Å; T568-L662 PolarHBondContact N-O 3.3Å; L569-L662 HydrophobicContact CD1-CB 4.2Å; L569-L662 WeakPolarHBondContact CD1-O 3.39Å; L569-L662 HydrophobicContact CD2-CB 3.96Å; L569-L662 HydrophobicContact CD2-CD1 4.47Å; L569-L662 HydrophobicContact CG-CB 4.05Å; L569-L662 WeakPolarHBondContact CG-O 3.3Å; I637-L662 HydrophobicContact CD1-CD1 3.72Å; I637-L662 HydrophobicContact CD1-CD2 3.64Å; I637-L662 HydrophobicContact CD1-CG 4.35Å; I637-L662 HydrophobicContact CG1-CD1 4.19Å; I637-L662 HydrophobicContact CG1-CD2 4.05Å; I637-L662 HydrophobicContact CG2-CD2 4.3Å; P652-L662 HydrophobicContact CB-CD1 4.28Å; L656-L662 HydrophobicContact CD1-CD1 4.33Å; L656-L662 HydrophobicContact CD2-CD1 4.15Å; Q660-L662 PolarHBondContact O-N 3.29Å; Q660-L662 VanDerWaalsContact O-N 3.1Å
663	G	75.8	Confident	72.4	Confident	12 Å²	12	70.6 Å²	70.6	12%	0.124	37%	0.367	C	S	.	.			trans	109.8	162	-179.1	0	0	0	0	0	112.5	T564 L569 N661	T564-G663 WeakPolarHBondContact OG1-CA 3.38Å; L569-G663 WeakPolarHBondContact CD1-O 3.32Å; N661-G663 PolarHBondContact O-N 3.35Å
664	Y	84.1	Confident	73.8	Confident	102 Å²	102	67 Å²	67	40%	0.4	35%	0.35	S	S	.	.			trans	-100.7	151.8	176.1	-65.2	-87.1	0	0	0	110.4	W528 D530 T564	W528-Y664 WeakPolarHBondContact CZ3-O 3.23Å; D530-Y664 HydrophobicContact CB-CD1 4.19Å; D530-Y664 HydrophobicContact CB-CE1 4.04Å; T564-Y664 HydrophobicContact CG2-CD2 4.35Å; T564-Y664 PolarHBondContact N-O 2.71Å; T564-Y664 PolarHBondContact OG1-N 3.05Å
665	M	86.4	Confident	75.2	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.6	175.5	-169.5	-177.2	-61.5	0	0	110.3	W528 F529 P531 I561 C562 L563 P571 L633 S635	W528-M665 WeakPolarHBondContact CA-O 3.47Å; F529-M665 VanDerWaalsContact CD1-O 3.23Å; F529-M665 WeakPolarHBondContact CD1-O 3.44Å; F529-M665 HydrophobicContact CE1-CB 4.37Å; F529-M665 HydrophobicContact CE1-CG 4.47Å; F529-M665 WeakPolarHBondContact CE1-O 3.47Å; F529-M665 HydrophobicContact CE2-CB 4.18Å; F529-M665 HydrophobicContact CZ-CB 3.97Å; F529-M665 HydrophobicContact CZ-CG 4.05Å; F529-M665 HydrophobicContact CZ-SD 3.98Å; F529-M665 PolarHBondContact N-O 3.17Å; F529-M665 PolarHBondContact O-N 2.86Å; P531-M665 HydrophobicContact CG-CB 4.36Å; P531-M665 HydrophobicContact CG-CE 4.45Å; I561-M665 HydrophobicContact CG2-CG 3.58Å; I561-M665 HydrophobicContact CG2-SD 3.73Å; C562-M665 CarbonylContact O-C 3.58Å; C562-M665 WeakPolarHBondContact O-CA 3.05Å; L563-M665 HydrophobicContact CD2-CB 4.14Å; L563-M665 HydrophobicContact CD2-CE 3.95Å; L563-M665 HydrophobicContact CD2-CG 3.92Å; P571-M665 HydrophobicContact CB-CE 3.75Å; P571-M665 HydrophobicContact CB-SD 4.4Å; P571-M665 HydrophobicContact CG-CE 4.3Å; L633-M665 HydrophobicContact CD1-SD 4.31Å; L633-M665 HydrophobicContact CD2-SD 3.67Å; S635-M665 WeakPolarHBondContact OG-CE 3.12Å
666	K	88.7	Confident	76.7	Confident	49 Å²	49	55.3 Å²	55.3	21%	0.213	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.3	174.1	176.4	-175.1	-172.6	-173.6	0	109.8	N526 W528 I561 C562 N668	N526-K666 WeakPolarHBondContact O-CE 3.29Å; W528-K666 HydrophobicContact CD2-CB 3.61Å; W528-K666 HydrophobicContact CD2-CD 4.24Å; W528-K666 HydrophobicContact CD2-CG 4.42Å; W528-K666 HydrophobicContact CE3-CB 3.54Å; W528-K666 HydrophobicContact CG-CB 4.16Å; W528-K666 HydrophobicContact CG-CD 4.47Å; W528-K666 HydrophobicContact CH2-CB 4.16Å; W528-K666 HydrophobicContact CZ2-CB 4.22Å; W528-K666 HydrophobicContact CZ2-CD 4.2Å; W528-K666 HydrophobicContact CZ3-CB 3.82Å; I561-K666 CarbonylContact C-O 2.99Å; I561-K666 WeakPolarHBondContact CA-O 3.45Å; C562-K666 HydrophobicContact CB-CB 4.25Å; C562-K666 PolarHBondContact N-O 3.39Å; C562-K666 PolarHBondContact O-N 3.12Å; K666-N668 VanDerWaalsContact CD-OD1 3.26Å; K666-N668 WeakPolarHBondContact CD-OD1 3.47Å; K666-N668 WeakPolarHBondContact CE-OD1 3.35Å; K666-N668 WeakPolarHBondContact CG-OD1 3.12Å
667	I	89.4	Confident	78.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.8	172.8	-59.9	176.8	0	0	0	108.2	V523 L525 N526 F529 L539 L559 Q560 L633 I670	V523-I667 HydrophobicContact CG1-CD1 4.22Å; L525-I667 HydrophobicContact CD2-CB 4.44Å; L525-I667 HydrophobicContact CD2-CG2 3.82Å; N526-I667 PolarHBondContact N-O 2.77Å; F529-I667 HydrophobicContact CE1-CD1 4.33Å; F529-I667 HydrophobicContact CE1-CG1 4.11Å; F529-I667 HydrophobicContact CZ-CD1 4.3Å; F529-I667 HydrophobicContact CZ-CG1 4.36Å; L539-I667 HydrophobicContact CD1-CD1 3.43Å; L539-I667 VanDerWaalsContact CD1-CD1 3.43Å; L539-I667 HydrophobicContact CD2-CD1 4.22Å; L539-I667 HydrophobicContact CG-CD1 4.48Å; L559-I667 HydrophobicContact CD1-CG2 3.47Å; L559-I667 VanDerWaalsContact CD1-CG2 3.47Å; Q560-I667 WeakPolarHBondContact O-CA 3.48Å; L633-I667 HydrophobicContact CD2-CD1 4.1Å; I667-I670 HydrophobicContact CG2-CD1 4.12Å; I667-I670 HydrophobicContact CG2-CG1 3.95Å
668	N	88.4	Confident	79.8	Confident	28 Å²	28	48.4 Å²	48.4	15%	0.15	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-48.9	-176	-72.8	-12	0	0	0	112.2	N526 Q560 C562 K666	N526-N668 PolarHBondContact ND2-O 2.91Å; N526-N668 VanDerWaalsContact OD1-CA 3.22Å; N526-N668 WeakPolarHBondContact OD1-CA 3.36Å; N526-N668 PolarHBondContact OD1-O 3.09Å; N526-N668 PolarHBondContact OD1-OD1 3.21Å; Q560-N668 HydrophobicContact CB-CB 4.1Å; Q560-N668 HydrophobicContact CG-CB 3.98Å; Q560-N668 PolarHBondContact NE2-ND2 3.45Å; Q560-N668 VanDerWaalsContact NE2-ND2 3.18Å; Q560-N668 PolarHBondContact O-N 2.91Å; C562-N668 PolarHBondContact SG-ND2 2.76Å; K666-N668 VanDerWaalsContact CD-OD1 3.26Å; K666-N668 WeakPolarHBondContact CD-OD1 3.47Å; K666-N668 WeakPolarHBondContact CE-OD1 3.35Å; K666-N668 WeakPolarHBondContact CG-OD1 3.12Å
669	S	88	Confident	81.8	Confident	29 Å²	29	41.7 Å²	41.7	20%	0.203	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.2	-175.3	58.4	0	0	0	0	111.1	L559 Q560	L559-S669 WeakPolarHBondContact CA-O 3.44Å; L559-S669 WeakPolarHBondContact CD1-O 3.33Å; Q560-S669 PolarHBondContact N-O 3.24Å; Q560-S669 PolarHBondContact OE1-OG 3.37Å
670	I	89.6	Confident	83.5	Confident	16 Å²	16	39.7 Å²	39.7	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127	169.6	-39.2	-159.2	0	0	0	106.6	F518 L525 L539 L559 F631 I667	F518-I670 HydrophobicContact CD2-CD1 3.83Å; F518-I670 HydrophobicContact CD2-CG1 4.31Å; F518-I670 HydrophobicContact CE2-CD1 3.55Å; F518-I670 HydrophobicContact CE2-CG1 4.37Å; L525-I670 HydrophobicContact CD2-CD1 4.19Å; L525-I670 HydrophobicContact CD2-CG1 3.8Å; L539-I670 HydrophobicContact CB-CD1 4.31Å; L539-I670 HydrophobicContact CD1-CD1 4.09Å; L559-I670 HydrophobicContact CD1-CB 4.05Å; L559-I670 HydrophobicContact CD1-CD1 3.57Å; L559-I670 HydrophobicContact CD1-CG1 3.37Å; L559-I670 HydrophobicContact CD1-CG2 4.12Å; F631-I670 HydrophobicContact CE2-CG2 3.98Å; F631-I670 HydrophobicContact CZ-CG2 4.11Å; I667-I670 HydrophobicContact CG2-CD1 4.12Å; I667-I670 HydrophobicContact CG2-CG1 3.95Å
671	Q	88.9	Confident	84.7	Confident	68 Å²	68	33.5 Å²	33.5	32%	0.318	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144	179.3	-68.6	-176.8	-19.7	0	0	110.4	M557 S558 Y673	M557-Q671 CarbonylContact C-O 3.58Å; M557-Q671 WeakPolarHBondContact CA-O 3.34Å; S558-Q671 PolarHBondContact N-O 3.1Å; S558-Q671 PolarHBondContact O-N 2.79Å; Q671-Y673 HydrophobicContact CB-CE2 4.49Å; Q671-Y673 PolarHBondContact OE1-OH 2.84Å
672	V	90.9	Very high	85.8	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.2	173.7	165.6	0	0	0	0	108.7	I514 L541 L554 M557 F626 V629	I514-V672 PolarHBondContact N-O 2.87Å; L541-V672 HydrophobicContact CD2-CB 3.79Å; L541-V672 HydrophobicContact CD2-CG2 3.34Å; L554-V672 HydrophobicContact CD1-CB 4.43Å; L554-V672 HydrophobicContact CD1-CG1 3.28Å; L554-V672 HydrophobicContact CD1-CG2 4.42Å; M557-V672 HydrophobicContact CB-CG2 4.25Å; F626-V672 HydrophobicContact CD2-CG1 4.32Å; F626-V672 HydrophobicContact CE1-CG1 3.93Å; F626-V672 HydrophobicContact CE2-CB 4.37Å; F626-V672 HydrophobicContact CE2-CG1 3.59Å; F626-V672 HydrophobicContact CZ-CB 4.42Å; F626-V672 HydrophobicContact CZ-CG1 3.35Å; V629-V672 HydrophobicContact CG2-CG2 4.44Å
673	Y	89	Confident	86.5	Confident	3 Å²	3	33 Å²	33	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.3	-177.9	-56.1	-74	0	0	0	111	L505 R508 I512 L555 G556 S558 Q671	L505-Y673 HydrophobicContact CD2-CD1 4.41Å; L505-Y673 HydrophobicContact CD2-CD2 3.48Å; L505-Y673 VanDerWaalsContact CD2-CD2 3.48Å; L505-Y673 HydrophobicContact CD2-CE2 4.39Å; L505-Y673 HydrophobicContact CD2-CG 3.49Å; L505-Y673 VanDerWaalsContact CD2-CG 3.49Å; R508-Y673 WeakPolarHBondContact CB-OH 3.39Å; R508-Y673 PolarHBondContact NE-OH 2.92Å; I512-Y673 HydrophobicContact CD1-CD1 4.21Å; I512-Y673 HydrophobicContact CD1-CG 4.35Å; I512-Y673 HydrophobicContact CG1-CD1 4.01Å; I512-Y673 CarbonylContact O-C 3.6Å; I512-Y673 WeakPolarHBondContact O-CA 3.44Å; I512-Y673 WeakPolarHBondContact O-CB 3.37Å; L555-Y673 PolarHBondContact N-O 3.2Å; G556-Y673 PolarHBondContact N-O 3.16Å; G556-Y673 VanDerWaalsContact N-O 3.17Å; G556-Y673 PolarHBondContact O-N 2.91Å; S558-Y673 WeakPolarHBondContact OG-CE2 3.25Å; S558-Y673 PolarHBondContact OG-OH 3.26Å; Q671-Y673 HydrophobicContact CB-CE2 4.49Å; Q671-Y673 PolarHBondContact OE1-OH 2.84Å
674	G	87.6	Confident	87	Confident	5 Å²	5	32.4 Å²	32.4	5%	0.052	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-163.6	-172.6	0	0	0	0	0	113.4	I512 I514 M553	I512-G674 CarbonylContact C-O 3.6Å; I512-G674 PolarHBondContact O-N 2.98Å; I512-G674 VanDerWaalsContact O-O 3.1Å; I514-G674 VanDerWaalsContact CD1-C 3.47Å; M553-G674 WeakPolarHBondContact O-CA 3.31Å
675	Y	85.1	Confident	87.1	Confident	32 Å²	32	31.2 Å²	31.2	13%	0.125	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	159.8	173.6	59.4	-85	0	0	0	111.7	T494 M553 L555 K623 M677	T494-Y675 HydrophobicContact CG2-CD1 4.14Å; T494-Y675 HydrophobicContact CG2-CD2 3.75Å; T494-Y675 HydrophobicContact CG2-CE1 4.13Å; T494-Y675 HydrophobicContact CG2-CE2 3.71Å; T494-Y675 HydrophobicContact CG2-CG 3.96Å; T494-Y675 PolarHBondContact OG1-OH 3.44Å; M553-Y675 HydrophobicContact CB-CD1 4.02Å; M553-Y675 HydrophobicContact CB-CD2 4.28Å; M553-Y675 HydrophobicContact CB-CE1 3.7Å; M553-Y675 HydrophobicContact CB-CE2 3.98Å; M553-Y675 HydrophobicContact CB-CG 4.3Å; M553-Y675 HydrophobicContact CG-CD1 4.3Å; M553-Y675 HydrophobicContact CG-CE1 3.58Å; M553-Y675 HydrophobicContact CG-CE2 4.44Å; M553-Y675 PolarHBondContact N-O 2.88Å; M553-Y675 PolarHBondContact O-N 3.41Å; L555-Y675 HydrophobicContact CD1-CD1 3.76Å; L555-Y675 HydrophobicContact CD1-CE1 4Å; L555-Y675 HydrophobicContact CD2-CE1 4.29Å; L555-Y675 HydrophobicContact CG-CD1 4.3Å; L555-Y675 HydrophobicContact CG-CE1 4.3Å; K623-Y675 PolarHBondContact NZ-OH 2.95Å; Y675-M677 HydrophobicContact CD2-CG 3.7Å; Y675-M677 HydrophobicContact CD2-SD 4.41Å; Y675-M677 HydrophobicContact CE2-CG 3.42Å; Y675-M677 VanDerWaalsContact CE2-CG 3.42Å; Y675-M677 HydrophobicContact CE2-SD 3.65Å
676	S	84.8	Confident	87	Confident	62 Å²	62	35.7 Å²	35.7	43%	0.434	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.1	175.7	-52.6	0	0	0	0	109.1	H552	H552-S676 PolarHBondContact CE1-OG 3.2Å; H552-S676 PolarHBondContact ND1-OG 3.49Å
677	M	84.4	Confident	86.7	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.025	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144.8	178.6	-65.9	162.3	59.8	0	0	109.5	I490 G491 F492 H550 V551 M553 F625 Y675	I490-M677 HydrophobicContact CG2-CE 3.72Å; G491-M677 WeakPolarHBondContact O-CB 3.41Å; G491-M677 WeakPolarHBondContact O-CE 3.47Å; G491-M677 WeakPolarHBondContact O-CG 3.34Å; F492-M677 HydrophobicContact CB-CE 4.26Å; F492-M677 HydrophobicContact CD1-CE 3.42Å; F492-M677 VanDerWaalsContact CD1-CE 3.42Å; F492-M677 HydrophobicContact CD2-CE 4.29Å; F492-M677 HydrophobicContact CE1-CE 3.79Å; F492-M677 HydrophobicContact CG-CE 3.72Å; F492-M677 HydrophobicContact CZ-CE 4.41Å; H550-M677 WeakPolarHBondContact CA-O 3.38Å; V551-M677 PolarHBondContact N-O 2.85Å; V551-M677 PolarHBondContact O-N 2.98Å; M553-M677 HydrophobicContact CB-SD 4.33Å; M553-M677 HydrophobicContact CE-SD 3.67Å; F625-M677 HydrophobicContact CE1-CE 4.24Å; F625-M677 HydrophobicContact CE1-SD 4.09Å; F625-M677 HydrophobicContact CZ-CE 4.48Å; Y675-M677 HydrophobicContact CD2-CG 3.7Å; Y675-M677 HydrophobicContact CD2-SD 4.41Å; Y675-M677 HydrophobicContact CE2-CG 3.42Å; Y675-M677 VanDerWaalsContact CE2-CG 3.42Å; Y675-M677 HydrophobicContact CE2-SD 3.65Å
678	H	86.1	Confident	86.6	Confident	86 Å²	86	33.9 Å²	33.9	40%	0.398	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.9	170.2	-175	59.6	0	0	0	109.8	G491	G491-H678 PolarHBondContact N-O 3.35Å
679	F	87.1	Confident	86.3	Confident	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-138.1	117.5	178.1	174.9	-100.5	0	0	0	108	I490 S548 N549 V551 P681 I684 L731 R735 L736	I490-F679 HydrophobicContact CD1-CD2 4.05Å; I490-F679 HydrophobicContact CD1-CE2 4.07Å; I490-F679 HydrophobicContact CG1-CD2 3.89Å; I490-F679 HydrophobicContact CG1-CE2 4.23Å; S548-F679 WeakPolarHBondContact O-CD1 3.34Å; N549-F679 CarbonylContact C-O 3.53Å; N549-F679 WeakPolarHBondContact CA-O 3.26Å; N549-F679 PolarHBondContact O-N 3.07Å; N549-F679 VanDerWaalsContact O-O 3.07Å; V551-F679 HydrophobicContact CB-CB 4.49Å; V551-F679 HydrophobicContact CG2-CB 3.74Å; V551-F679 HydrophobicContact CG2-CD1 4.3Å; V551-F679 HydrophobicContact CG2-CD2 4.01Å; V551-F679 HydrophobicContact CG2-CG 3.75Å; F679-P681 HydrophobicContact CD1-CB 4.47Å; F679-P681 HydrophobicContact CE1-CB 3.85Å; F679-P681 HydrophobicContact CE1-CG 4.48Å; F679-P681 VanDerWaalsContact O-CD 3.24Å; F679-P681 WeakPolarHBondContact O-CD 3.37Å; F679-I684 HydrophobicContact CD2-CD1 4.36Å; F679-I684 HydrophobicContact CE2-CD1 3.54Å; F679-I684 HydrophobicContact CZ-CD1 4.01Å; F679-L731 HydrophobicContact CE2-CD1 3.93Å; F679-L731 HydrophobicContact CE2-CD2 3.87Å; F679-L731 HydrophobicContact CE2-CG 4.12Å; F679-L731 HydrophobicContact CZ-CD2 4Å; F679-L731 HydrophobicContact CZ-CG 4.31Å; F679-R735 HydrophobicContact CE1-CB 3.73Å; F679-R735 HydrophobicContact CE1-CG 4.47Å; F679-R735 HydrophobicContact CZ-CB 3.88Å; F679-L736 HydrophobicContact CE1-CD1 4.49Å; F679-L736 HydrophobicContact CZ-CD1 3.68Å
680	D	87	Confident	85.9	Confident	32 Å²	32	36.6 Å²	36.6	17%	0.171	19%	0.188	C	C	.	.			trans	-100.8	100.1	178	-165.5	-25.2	0	0	0	110.3	Y489 E682 A683 I684	Y489-D680 PolarHBondContact O-N 3.42Å; Y489-D680 VanDerWaalsContact O-N 3.1Å; D680-E682 VanDerWaalsContact C-N 3.3Å; D680-E682 PolarHBondContact O-N 3.32Å; D680-E682 PolarHBondContact OD1-N 3.37Å; D680-A683 HydrophobicContact CB-CB 3.93Å; D680-A683 PolarHBondContact OD1-N 3.05Å; D680-A683 VanDerWaalsContact OD1-N 3.16Å; D680-I684 PolarHBondContact O-N 2.9Å
681	P	85.7	Confident	85.4	Confident	13 Å²	13	36.6 Å²	36.6	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-30.4	178.8	26.9	-32.7	0	0	0	112.8	F679 Q685	F679-P681 HydrophobicContact CD1-CB 4.47Å; F679-P681 HydrophobicContact CE1-CB 3.85Å; F679-P681 HydrophobicContact CE1-CG 4.48Å; F679-P681 VanDerWaalsContact O-CD 3.24Å; F679-P681 WeakPolarHBondContact O-CD 3.37Å; P681-Q685 WeakPolarHBondContact O-CB 3.47Å; P681-Q685 VanDerWaalsContact O-CG 3.25Å; P681-Q685 WeakPolarHBondContact O-CG 3.17Å; P681-Q685 PolarHBondContact O-N 3.21Å
682	E	85.2	Confident	84.8	Confident	135 Å²	135	36.8 Å²	36.8	63%	0.631	19%	0.191	S	C	*	.	H	α-helix	trans	-72.6	-44.6	-176.1	-66.2	177.3	-172.2	0	0	109.4	D680 I684 Q685 D686	D680-E682 VanDerWaalsContact C-N 3.3Å; D680-E682 PolarHBondContact O-N 3.32Å; D680-E682 PolarHBondContact OD1-N 3.37Å; E682-I684 VanDerWaalsContact C-N 3.35Å; E682-I684 PolarHBondContact O-N 2.64Å; E682-Q685 WeakPolarHBondContact O-CB 3.3Å; E682-Q685 PolarHBondContact O-N 3.41Å; E682-Q685 VanDerWaalsContact O-N 3.09Å; E682-D686 PolarHBondContact O-N 2.83Å
683	A	85.1	Confident	83.9	Confident	13 Å²	13	43.9 Å²	43.9	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-38.5	177.4	0	0	0	0	0	113.3	Y489 D680 D686 L687	Y489-A683 HydrophobicContact CD1-CB 3.61Å; Y489-A683 HydrophobicContact CE1-CB 3.69Å; Y489-A683 WeakPolarHBondContact CE1-O 3.38Å; D680-A683 HydrophobicContact CB-CB 3.93Å; D680-A683 PolarHBondContact OD1-N 3.05Å; D680-A683 VanDerWaalsContact OD1-N 3.16Å; A683-D686 PolarHBondContact O-N 3.24Å; A683-L687 PolarHBondContact O-N 3.43Å; A683-L687 VanDerWaalsContact O-N 3.14Å
684	I	86.1	Confident	82.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-73	-34.1	175.6	-58	174.4	0	0	0	110.9	Y489 I490 F679 D680 E682 D686 L687 I688 L707 L736	Y489-I684 HydrophobicContact CD1-CG1 3.82Å; Y489-I684 HydrophobicContact CG-CG1 4.22Å; I490-I684 HydrophobicContact CD1-CD1 4.41Å; I490-I684 HydrophobicContact CG1-CD1 4.26Å; F679-I684 HydrophobicContact CD2-CD1 4.36Å; F679-I684 HydrophobicContact CE2-CD1 3.54Å; F679-I684 HydrophobicContact CZ-CD1 4.01Å; D680-I684 PolarHBondContact O-N 2.9Å; E682-I684 VanDerWaalsContact C-N 3.35Å; E682-I684 PolarHBondContact O-N 2.64Å; I684-D686 VanDerWaalsContact C-N 3.33Å; I684-L687 WeakPolarHBondContact O-CB 3.44Å; I684-L687 PolarHBondContact O-N 2.61Å; I684-I688 HydrophobicContact CG2-CD1 4.25Å; I684-I688 WeakPolarHBondContact O-CG1 3.49Å; I684-I688 PolarHBondContact O-N 2.88Å; I684-I688 VanDerWaalsContact O-N 3.1Å; I684-L707 HydrophobicContact CG2-CD2 4.39Å; I684-L736 HydrophobicContact CB-CD2 3.97Å; I684-L736 HydrophobicContact CG2-CD1 4.39Å; I684-L736 HydrophobicContact CG2-CD2 3.6Å
685	Q	86.1	Confident	81.1	Confident	78 Å²	78	56.7 Å²	56.7	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-63.6	-40.3	172.8	-77.6	176.8	2.7	0	0	111.4	P681 E682 L687 I688 L689 L736	P681-Q685 WeakPolarHBondContact O-CB 3.47Å; P681-Q685 VanDerWaalsContact O-CG 3.25Å; P681-Q685 WeakPolarHBondContact O-CG 3.17Å; P681-Q685 PolarHBondContact O-N 3.21Å; E682-Q685 WeakPolarHBondContact O-CB 3.3Å; E682-Q685 PolarHBondContact O-N 3.41Å; E682-Q685 VanDerWaalsContact O-N 3.09Å; Q685-L687 PolarHBondContact O-N 3.49Å; Q685-I688 PolarHBondContact O-N 3.31Å; Q685-I688 VanDerWaalsContact O-N 3.14Å; Q685-L689 WeakPolarHBondContact O-CG 3.2Å; Q685-L689 PolarHBondContact O-N 3.08Å; Q685-L736 HydrophobicContact CG-CD2 3.79Å; Q685-L736 HydrophobicContact CG-CG 4.28Å; Q685-L736 PolarHBondContact NE2-O 2.78Å
686	D	84.3	Confident	79.5	Confident	93 Å²	93	59.8 Å²	59.8	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-41.1	175.1	-73.5	-17.8	0	0	0	112	E682 A683 I684 I688 L689 Q690	E682-D686 PolarHBondContact O-N 2.83Å; A683-D686 PolarHBondContact O-N 3.24Å; I684-D686 VanDerWaalsContact C-N 3.33Å; D686-I688 VanDerWaalsContact C-N 3.29Å; D686-I688 PolarHBondContact O-N 2.96Å; D686-L689 PolarHBondContact O-N 3.15Å; D686-Q690 WeakPolarHBondContact O-CG 3.36Å; D686-Q690 PolarHBondContact O-N 2.72Å
687	L	82.9	Confident	78	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-39.7	172	-76.9	177.5	0	0	0	112.9	Y489 A683 I684 Q685 Q690 A703 Q706 L707 I710	Y489-L687 HydrophobicContact CD1-CD1 3.77Å; Y489-L687 HydrophobicContact CD1-CG 4.49Å; Y489-L687 HydrophobicContact CD2-CD1 4.25Å; Y489-L687 HydrophobicContact CE1-CD1 3.29Å; Y489-L687 HydrophobicContact CE1-CD2 4.4Å; Y489-L687 HydrophobicContact CE1-CG 3.65Å; Y489-L687 HydrophobicContact CE2-CD1 3.85Å; Y489-L687 HydrophobicContact CG-CD1 4.24Å; Y489-L687 WeakPolarHBondContact OH-CD2 3.2Å; A683-L687 PolarHBondContact O-N 3.43Å; A683-L687 VanDerWaalsContact O-N 3.14Å; I684-L687 WeakPolarHBondContact O-CB 3.44Å; I684-L687 PolarHBondContact O-N 2.61Å; Q685-L687 PolarHBondContact O-N 3.49Å; L687-Q690 PolarHBondContact O-N 2.83Å; L687-A703 HydrophobicContact CD2-CB 4.47Å; L687-Q706 HydrophobicContact CD1-CB 4.37Å; L687-Q706 HydrophobicContact CD2-CB 4.47Å; L687-L707 HydrophobicContact CB-CD2 4.36Å; L687-L707 HydrophobicContact CB-CG 4.5Å; L687-L707 HydrophobicContact CD1-CD2 4.42Å; L687-I710 HydrophobicContact CD1-CD1 4.04Å
688	I	85.9	Confident	76.8	Confident	11 Å²	11	66.1 Å²	66.1	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-70.5	-38.6	178	-66.9	166.8	0	0	0	110.2	I684 Q685 D686 Q690 L691 L707 L732 L736 L738 I746	I684-I688 HydrophobicContact CG2-CD1 4.25Å; I684-I688 WeakPolarHBondContact O-CG1 3.49Å; I684-I688 PolarHBondContact O-N 2.88Å; I684-I688 VanDerWaalsContact O-N 3.1Å; Q685-I688 PolarHBondContact O-N 3.31Å; Q685-I688 VanDerWaalsContact O-N 3.14Å; D686-I688 VanDerWaalsContact C-N 3.29Å; D686-I688 PolarHBondContact O-N 2.96Å; I688-Q690 VanDerWaalsContact C-N 3.29Å; I688-Q690 PolarHBondContact O-N 2.84Å; I688-L691 VanDerWaalsContact O-CB 3.24Å; I688-L691 WeakPolarHBondContact O-CB 3.48Å; I688-L691 PolarHBondContact O-N 2.79Å; I688-L691 VanDerWaalsContact O-N 3.09Å; I688-L707 HydrophobicContact CG1-CD1 4.4Å; I688-L707 HydrophobicContact CG1-CD2 4.33Å; I688-L732 HydrophobicContact CD1-CD2 4.04Å; I688-L736 HydrophobicContact CD1-CD2 3.73Å; I688-L738 HydrophobicContact CD1-CD1 3.71Å; I688-I746 HydrophobicContact CD1-CD1 3.86Å; I688-I746 HydrophobicContact CG1-CD1 4.13Å; I688-I746 HydrophobicContact CG2-CD1 3.82Å; I688-I746 HydrophobicContact CG2-CG1 4.37Å
689	L	82.3	Confident	75.9	Confident	86 Å²	86	65.3 Å²	65.3	45%	0.45	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-34	175.2	-72.3	171.6	0	0	0	112.3	Q685 D686 L691 D692 Y693	Q685-L689 WeakPolarHBondContact O-CG 3.2Å; Q685-L689 PolarHBondContact O-N 3.08Å; D686-L689 PolarHBondContact O-N 3.15Å; L689-L691 PolarHBondContact O-N 3.32Å; L689-D692 PolarHBondContact O-N 3.06Å; L689-Y693 PolarHBondContact O-N 2.87Å
690	Q	80	Confident	75.4	Confident	27 Å²	27	69.8 Å²	69.8	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-24.9	173.5	-70.6	172.6	10.5	0	0	113.1	D686 L687 I688 D692 Y693 P694 Q697 A703	D686-Q690 WeakPolarHBondContact O-CG 3.36Å; D686-Q690 PolarHBondContact O-N 2.72Å; L687-Q690 PolarHBondContact O-N 2.83Å; I688-Q690 VanDerWaalsContact C-N 3.29Å; I688-Q690 PolarHBondContact O-N 2.84Å; Q690-D692 VanDerWaalsContact C-N 3.34Å; Q690-Y693 CarbonylContact O-C 3.47Å; Q690-P694 WeakPolarHBondContact O-CA 3.43Å; Q690-Q697 WeakPolarHBondContact CG-O 3.35Å; Q690-Q697 PolarHBondContact NE2-O 3.2Å; Q690-Q697 PolarHBondContact OE1-O 2.79Å; Q690-A703 HydrophobicContact CB-CB 4.15Å
691	L	80.1	Confident	74.8	Confident	17 Å²	17	72.5 Å²	72.5	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-69	-34.5	172.6	-57.8	177.2	0	0	0	112.2	I688 L689 A703 L704 L707	I688-L691 VanDerWaalsContact O-CB 3.24Å; I688-L691 WeakPolarHBondContact O-CB 3.48Å; I688-L691 PolarHBondContact O-N 2.79Å; I688-L691 VanDerWaalsContact O-N 3.09Å; L689-L691 PolarHBondContact O-N 3.32Å; L691-A703 HydrophobicContact CD2-CB 4.19Å; L691-L704 HydrophobicContact CD2-CD1 4.47Å; L691-L704 HydrophobicContact CD2-CD2 3.57Å; L691-L704 HydrophobicContact CD2-CG 3.59Å; L691-L707 HydrophobicContact CD1-CD1 3.67Å; L691-L707 HydrophobicContact CD2-CD1 4.37Å; L691-L707 HydrophobicContact CG-CD1 4.21Å
692	D	74.6	Confident	74.4	Confident	71 Å²	71	72.8 Å²	72.8	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-88	-28.4	-178	-67.4	-45.1	0	0	0	111.8	L689 Q690 R745	L689-D692 PolarHBondContact O-N 3.06Å; Q690-D692 VanDerWaalsContact C-N 3.34Å; D692-R745 IonicContact OD1-CZ 3.1Å; D692-R745 VanDerWaalsContact OD1-CZ 3.3Å; D692-R745 IonicContact OD1-NH1 2.94Å; D692-R745 PolarHBondContact OD1-NH1 2.86Å; D692-R745 IonicContact OD1-NH2 2.65Å; D692-R745 PolarHBondContact OD1-NH2 3.49Å; D692-R745 IonicContact OD2-CZ 3.63Å; D692-R745 IonicContact OD2-NH1 3.63Å; D692-R745 PolarHBondContact OD2-NH1 3.48Å; D692-R745 IonicContact OD2-NH2 3.24Å; D692-R745 PolarHBondContact OD2-NH2 3.31Å
693	Y	72.4	Confident	74.1	Confident	151 Å²	151	66.4 Å²	66.4	59%	0.592	35%	0.346	S	S	*	.			trans	-134.3	80.4	-179.1	-59.8	-77.2	0	0	0	111.5	L689 Q690 Y695 T696	L689-Y693 PolarHBondContact O-N 2.87Å; Q690-Y693 CarbonylContact O-C 3.47Å; Y693-Y695 PolarHBondContact O-N 3.1Å; Y693-T696 PolarHBondContact O-N 3.01Å; Y693-T696 PolarHBondContact O-OG1 2.59Å
694	P	61.3	Low	74	Confident	54 Å²	54	66.2 Å²	66.2	35%	0.351	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-3.1	-175.9	26.5	-35.1	0	0	0	114.6	Q690 Q700	Q690-P694 WeakPolarHBondContact O-CA 3.43Å; P694-Q700 HydrophobicContact CB-CB 4.39Å
695	Y	56.4	Low	73.6	Confident	223 Å²	223	68 Å²	68	88%	0.875	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.1	-178.8	-61.3	-76.2	0	0	0	113.9	Y693	Y693-Y695 PolarHBondContact O-N 3.1Å
696	T	52.8	Low	73.4	Confident	96 Å²	96	64.6 Å²	64.6	59%	0.589	34%	0.337	S	S	*	.	S	Bend	trans	-103	-9.3	-166.6	41.8	0	0	0	0	117.2	Y693	Y693-T696 PolarHBondContact O-N 3.01Å; Y693-T696 PolarHBondContact O-OG1 2.59Å
697	Q	53	Low	73.5	Confident	147 Å²	147	60.2 Å²	60.2	69%	0.687	31%	0.313	S	S	*	.	S	Bend	trans	171.9	119.3	164.2	-102.2	164.4	35.2	0	0	107.5	Q690	Q690-Q697 WeakPolarHBondContact CG-O 3.35Å; Q690-Q697 PolarHBondContact NE2-O 3.2Å; Q690-Q697 PolarHBondContact OE1-O 2.79Å
698	G	59.6	Low	73.5	Confident	54 Å²	54	60.8 Å²	60.8	56%	0.557	32%	0.316	S	S	*	.	S	Bend	trans	83.7	168.4	176.8	0	0	0	0	0	116
699	S	67.4	Low	73.1	Confident	68 Å²	68	61.5 Å²	61.5	48%	0.476	32%	0.319	S	S	.	.			trans	-87.8	146.1	175	69.7	0	0	0	0	110.6	D701 S702 A703	S699-D701 PolarHBondContact O-N 2.77Å; S699-D701 VanDerWaalsContact O-N 3.13Å; S699-S702 PolarHBondContact N-OG 3.43Å; S699-S702 WeakPolarHBondContact O-CB 3.29Å; S699-S702 PolarHBondContact O-N 3.42Å; S699-S702 PolarHBondContact O-OG 3.24Å; S699-S702 WeakPolarHBondContact OG-CB 3.1Å; S699-S702 PolarHBondContact OG-N 3.5Å; S699-S702 PolarHBondContact OG-OG 2.98Å; S699-A703 PolarHBondContact O-N 2.8Å
700	Q	75.4	Confident	73.2	Confident	95 Å²	95	57.5 Å²	57.5	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-52.7	-37.5	177.9	-171.4	178.8	11.3	0	0	112.4	P694 A703 L704	P694-Q700 HydrophobicContact CB-CB 4.39Å; Q700-A703 PolarHBondContact O-N 3.02Å; Q700-L704 HydrophobicContact CG-CD1 4.15Å; Q700-L704 WeakPolarHBondContact O-CG 3.19Å; Q700-L704 PolarHBondContact O-N 3.31Å; Q700-L704 VanDerWaalsContact O-N 3.07Å
701	D	74.6	Confident	73.5	Confident	90 Å²	90	57.9 Å²	57.9	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-33.6	178.2	-64.3	-26.1	0	0	0	112.6	S699 L705 F753	S699-D701 PolarHBondContact O-N 2.77Å; S699-D701 VanDerWaalsContact O-N 3.13Å; D701-L705 WeakPolarHBondContact O-CB 3.48Å; D701-L705 VanDerWaalsContact O-CG 3.31Å; D701-L705 WeakPolarHBondContact O-CG 3.45Å; D701-L705 PolarHBondContact O-N 2.84Å; D701-F753 HydrophobicContact CB-CE2 3.96Å; D701-F753 HydrophobicContact CB-CZ 4.11Å; D701-F753 WeakPolarHBondContact OD1-CE2 3.15Å
702	S	76.8	Confident	73.4	Confident	19 Å²	19	59 Å²	59	13%	0.133	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-42.2	176.5	66.7	0	0	0	0	112.4	S699 L705 Q706	S699-S702 PolarHBondContact N-OG 3.43Å; S699-S702 WeakPolarHBondContact O-CB 3.29Å; S699-S702 PolarHBondContact O-N 3.42Å; S699-S702 PolarHBondContact O-OG 3.24Å; S699-S702 WeakPolarHBondContact OG-CB 3.1Å; S699-S702 PolarHBondContact OG-N 3.5Å; S699-S702 PolarHBondContact OG-OG 2.98Å; S702-L705 PolarHBondContact O-N 3.07Å; S702-Q706 WeakPolarHBondContact O-CG 3.44Å; S702-Q706 PolarHBondContact O-N 3.08Å
703	A	79.3	Confident	73.7	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-41	174.7	0	0	0	0	0	111.8	L687 Q690 L691 S699 Q700 Q706 L707	L687-A703 HydrophobicContact CD2-CB 4.47Å; Q690-A703 HydrophobicContact CB-CB 4.15Å; L691-A703 HydrophobicContact CD2-CB 4.19Å; S699-A703 PolarHBondContact O-N 2.8Å; Q700-A703 PolarHBondContact O-N 3.02Å; A703-Q706 PolarHBondContact O-N 3.1Å; A703-L707 WeakPolarHBondContact O-CB 3.33Å; A703-L707 WeakPolarHBondContact O-CG 3.28Å; A703-L707 PolarHBondContact O-N 3.11Å
704	L	83.8	Confident	74.3	Confident	9 Å²	9	49.8 Å²	49.8	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-38.9	175.5	-73.9	166.5	0	0	0	112.2	L691 Q700 L708 A749 L750 F753	L691-L704 HydrophobicContact CD2-CD1 4.47Å; L691-L704 HydrophobicContact CD2-CD2 3.57Å; L691-L704 HydrophobicContact CD2-CG 3.59Å; Q700-L704 HydrophobicContact CG-CD1 4.15Å; Q700-L704 WeakPolarHBondContact O-CG 3.19Å; Q700-L704 PolarHBondContact O-N 3.31Å; Q700-L704 VanDerWaalsContact O-N 3.07Å; L704-L708 WeakPolarHBondContact O-CB 3.49Å; L704-L708 VanDerWaalsContact O-CG 3.29Å; L704-L708 WeakPolarHBondContact O-CG 3.47Å; L704-L708 PolarHBondContact O-N 3.15Å; L704-A749 HydrophobicContact CD2-CB 4.29Å; L704-L750 HydrophobicContact CD2-CD2 3.93Å; L704-F753 HydrophobicContact CB-CD1 3.54Å; L704-F753 HydrophobicContact CB-CD2 4.27Å; L704-F753 HydrophobicContact CB-CE1 3.62Å; L704-F753 HydrophobicContact CB-CE2 4.36Å; L704-F753 HydrophobicContact CB-CG 3.88Å; L704-F753 HydrophobicContact CB-CZ 4.06Å; L704-F753 HydrophobicContact CD1-CB 4.04Å; L704-F753 HydrophobicContact CD1-CD1 4.38Å; L704-F753 HydrophobicContact CD1-CD2 3.75Å; L704-F753 HydrophobicContact CD1-CE2 4.28Å; L704-F753 HydrophobicContact CD1-CG 3.82Å; L704-F753 HydrophobicContact CG-CD1 4.47Å; L704-F753 HydrophobicContact CG-CG 4.36Å
705	L	77.9	Confident	75.5	Confident	39 Å²	39	48 Å²	48	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-45.6	174	-79.7	167.4	0	0	0	112.2	D701 S702 L708 E709 F753	D701-L705 WeakPolarHBondContact O-CB 3.48Å; D701-L705 VanDerWaalsContact O-CG 3.31Å; D701-L705 WeakPolarHBondContact O-CG 3.45Å; D701-L705 PolarHBondContact O-N 2.84Å; S702-L705 PolarHBondContact O-N 3.07Å; L705-L708 PolarHBondContact O-N 3.44Å; L705-E709 PolarHBondContact O-N 3.22Å; L705-F753 HydrophobicContact CD2-CE1 3.97Å; L705-F753 HydrophobicContact CD2-CZ 4.3Å; L705-F753 HydrophobicContact CG-CE1 3.81Å; L705-F753 HydrophobicContact CG-CZ 3.9Å
706	Q	80.5	Confident	76.5	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-43.1	178.2	-72.9	167.2	-12.5	0	0	111.8	V482 T486 L687 S702 A703 L708 E709 I710	V482-Q706 HydrophobicContact CG1-CG 3.46Å; V482-Q706 VanDerWaalsContact CG1-CG 3.46Å; T486-Q706 HydrophobicContact CG2-CB 4.37Å; T486-Q706 HydrophobicContact CG2-CG 4.4Å; L687-Q706 HydrophobicContact CD1-CB 4.37Å; L687-Q706 HydrophobicContact CD2-CB 4.47Å; S702-Q706 WeakPolarHBondContact O-CG 3.44Å; S702-Q706 PolarHBondContact O-N 3.08Å; A703-Q706 PolarHBondContact O-N 3.1Å; Q706-L708 PolarHBondContact O-N 3.43Å; Q706-E709 PolarHBondContact O-N 3.26Å; Q706-I710 VanDerWaalsContact O-CG1 3.31Å; Q706-I710 WeakPolarHBondContact O-CG1 3.44Å; Q706-I710 PolarHBondContact O-N 2.88Å
707	L	86.1	Confident	77.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-37.1	176.1	-74.1	171.7	0	0	0	112.7	I684 L687 I688 L691 A703 E709 I710 R711 F728 L750	I684-L707 HydrophobicContact CG2-CD2 4.39Å; L687-L707 HydrophobicContact CB-CD2 4.36Å; L687-L707 HydrophobicContact CB-CG 4.5Å; L687-L707 HydrophobicContact CD1-CD2 4.42Å; I688-L707 HydrophobicContact CG1-CD1 4.4Å; I688-L707 HydrophobicContact CG1-CD2 4.33Å; L691-L707 HydrophobicContact CD1-CD1 3.67Å; L691-L707 HydrophobicContact CD2-CD1 4.37Å; L691-L707 HydrophobicContact CG-CD1 4.21Å; A703-L707 WeakPolarHBondContact O-CB 3.33Å; A703-L707 WeakPolarHBondContact O-CG 3.28Å; A703-L707 PolarHBondContact O-N 3.11Å; L707-E709 VanDerWaalsContact C-N 3.35Å; L707-I710 PolarHBondContact O-N 3.45Å; L707-R711 WeakPolarHBondContact O-CB 3.22Å; L707-R711 PolarHBondContact O-N 2.94Å; L707-F728 HydrophobicContact CD2-CZ 4.43Å; L707-L750 HydrophobicContact CB-CD2 3.75Å
708	L	82.9	Confident	79.3	Confident	14 Å²	14	31.5 Å²	31.5	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-42.4	172.3	-79.5	-179.6	0	0	0	111.6	L704 L705 Q706 R711 D712 L750 F753	L704-L708 WeakPolarHBondContact O-CB 3.49Å; L704-L708 VanDerWaalsContact O-CG 3.29Å; L704-L708 WeakPolarHBondContact O-CG 3.47Å; L704-L708 PolarHBondContact O-N 3.15Å; L705-L708 PolarHBondContact O-N 3.44Å; Q706-L708 PolarHBondContact O-N 3.43Å; L708-R711 VanDerWaalsContact CD2-CZ 3.42Å; L708-R711 PolarHBondContact O-N 3.44Å; L708-D712 WeakPolarHBondContact O-CB 3.32Å; L708-D712 PolarHBondContact O-N 2.9Å; L708-L750 HydrophobicContact CD2-CB 3.85Å; L708-L750 HydrophobicContact CD2-CD2 3.81Å; L708-L750 HydrophobicContact CD2-CG 4.3Å; L708-L750 HydrophobicContact CG-CD2 3.75Å; L708-F753 HydrophobicContact CD1-CD1 3.54Å; L708-F753 HydrophobicContact CD1-CE1 3.9Å; L708-F753 HydrophobicContact CG-CD1 4.41Å
709	E	79.1	Confident	80.1	Confident	25 Å²	25	29.6 Å²	29.6	12%	0.117	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-45.9	177.5	-166.5	-168.7	168.7	0	0	111.5	V482 T486 L705 Q706 L707 R711 D712 R713	V482-E709 HydrophobicContact CG2-CB 4.44Å; V482-E709 WeakPolarHBondContact CG2-OE2 3.46Å; T486-E709 HydrophobicContact CG2-CB 4.3Å; T486-E709 HydrophobicContact CG2-CG 4.46Å; T486-E709 WeakPolarHBondContact CG2-OE2 3.38Å; T486-E709 PolarHBondContact OG1-OE1 3.21Å; T486-E709 VanDerWaalsContact OG1-OE1 3.09Å; T486-E709 PolarHBondContact OG1-OE2 2.03Å; L705-E709 PolarHBondContact O-N 3.22Å; Q706-E709 PolarHBondContact O-N 3.26Å; L707-E709 VanDerWaalsContact C-N 3.35Å; E709-R711 PolarHBondContact O-N 3.49Å; E709-D712 PolarHBondContact O-N 2.93Å; E709-R713 HydrophobicContact CG-CG 4.49Å; E709-R713 WeakPolarHBondContact O-CG 3.26Å; E709-R713 PolarHBondContact O-N 3.2Å
710	I	84.4	Confident	80.2	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-46.6	176.9	-65.2	166	0	0	0	110.4	T486 Y489 I490 L687 Q706 L707 D712 R713 V714 F728	T486-I710 HydrophobicContact CG2-CG1 4.26Å; Y489-I710 HydrophobicContact CD2-CD1 3.97Å; Y489-I710 HydrophobicContact CG-CD1 3.94Å; I490-I710 HydrophobicContact CD1-CG2 3.91Å; L687-I710 HydrophobicContact CD1-CD1 4.04Å; Q706-I710 VanDerWaalsContact O-CG1 3.31Å; Q706-I710 WeakPolarHBondContact O-CG1 3.44Å; Q706-I710 PolarHBondContact O-N 2.88Å; L707-I710 PolarHBondContact O-N 3.45Å; I710-D712 VanDerWaalsContact C-N 3.31Å; I710-D712 PolarHBondContact O-N 3.18Å; I710-R713 PolarHBondContact O-N 3.02Å; I710-V714 HydrophobicContact CG2-CG2 4.26Å; I710-V714 WeakPolarHBondContact O-CB 3.38Å; I710-V714 VanDerWaalsContact O-CG2 3.26Å; I710-V714 WeakPolarHBondContact O-CG2 3.43Å; I710-V714 PolarHBondContact O-N 3.43Å; I710-F728 HydrophobicContact CB-CE2 4.38Å; I710-F728 HydrophobicContact CG2-CD2 4.27Å; I710-F728 HydrophobicContact CG2-CE2 3.84Å
711	R	85.6	Confident	79.9	Confident	35 Å²	35	27.3 Å²	27.3	13%	0.132	16%	0.156	C	C	.	.	H	α-helix	trans	-54.4	-49	177	179.7	-167.3	72.5	179.5	2.6	111.3	L707 L708 E709 V714 N715 F728	L707-R711 WeakPolarHBondContact O-CB 3.22Å; L707-R711 PolarHBondContact O-N 2.94Å; L708-R711 VanDerWaalsContact CD2-CZ 3.42Å; L708-R711 PolarHBondContact O-N 3.44Å; E709-R711 PolarHBondContact O-N 3.49Å; R711-V714 PolarHBondContact O-N 3Å; R711-N715 VanDerWaalsContact O-CB 3.32Å; R711-N715 WeakPolarHBondContact O-CB 3.22Å; R711-N715 PolarHBondContact O-N 3.38Å; R711-F728 HydrophobicContact CB-CB 4.26Å; R711-F728 HydrophobicContact CB-CD1 3.8Å; R711-F728 HydrophobicContact CB-CD2 3.97Å; R711-F728 HydrophobicContact CB-CE1 4.03Å; R711-F728 HydrophobicContact CB-CE2 4.21Å; R711-F728 HydrophobicContact CB-CG 3.74Å; R711-F728 HydrophobicContact CB-CZ 4.23Å; R711-F728 HydrophobicContact CG-CB 3.84Å; R711-F728 HydrophobicContact CG-CD1 3.65Å; R711-F728 HydrophobicContact CG-CD2 4.45Å; R711-F728 HydrophobicContact CG-CE1 4.28Å; R711-F728 HydrophobicContact CG-CG 3.73Å
712	D	77.9	Confident	79.6	Confident	39 Å²	39	28.4 Å²	28.4	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-70.3	-39	-176	-74.9	13.9	0	0	0	111.8	R479 L708 E709 I710 V714 R716	R479-D712 IonicContact CZ-OD2 3.19Å; R479-D712 VanDerWaalsContact CZ-OD2 3.24Å; R479-D712 IonicContact NH1-OD2 3.54Å; R479-D712 PolarHBondContact NH1-OD2 3.49Å; R479-D712 IonicContact NH2-OD2 3.23Å; R479-D712 PolarHBondContact NH2-OD2 3.49Å; L708-D712 WeakPolarHBondContact O-CB 3.32Å; L708-D712 PolarHBondContact O-N 2.9Å; E709-D712 PolarHBondContact O-N 2.93Å; I710-D712 VanDerWaalsContact C-N 3.31Å; I710-D712 PolarHBondContact O-N 3.18Å; D712-V714 VanDerWaalsContact C-N 3.34Å; D712-V714 PolarHBondContact O-N 3.28Å; D712-R716 WeakPolarHBondContact O-CB 3.33Å; D712-R716 PolarHBondContact O-N 2.9Å
713	R	80.3	Confident	79.6	Confident	29 Å²	29	31.3 Å²	31.3	11%	0.109	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-40.8	173.9	-71	177.3	79.1	171.3	8.9	111.7	T486 D487 F492 E709 I710	T486-R713 PolarHBondContact OG1-NH1 3.41Å; D487-R713 IonicContact OD1-CZ 3.73Å; D487-R713 IonicContact OD1-NH1 2.71Å; D487-R713 PolarHBondContact OD1-NH1 3.43Å; D487-R713 IonicContact OD1-NH2 2.75Å; D487-R713 PolarHBondContact OD1-NH2 3.5Å; F492-R713 HydrophobicContact CE1-CB 4.33Å; F492-R713 HydrophobicContact CE2-CB 3.84Å; F492-R713 HydrophobicContact CE2-CG 4.47Å; F492-R713 VanDerWaalsContact CE2-NE 3.35Å; F492-R713 HydrophobicContact CZ-CB 3.65Å; E709-R713 HydrophobicContact CG-CG 4.49Å; E709-R713 WeakPolarHBondContact O-CG 3.26Å; E709-R713 PolarHBondContact O-N 3.2Å; I710-R713 PolarHBondContact O-N 3.02Å
714	V	85.1	Confident	79.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71.9	-49.2	179.4	171.2	0	0	0	0	111.4	I490 F492 F580 F625 I710 R711 D712 R716 L717 L727 F728 L731	I490-V714 HydrophobicContact CD1-CG2 3.9Å; F492-V714 HydrophobicContact CZ-CG2 4.3Å; F580-V714 HydrophobicContact CZ-CG1 4.42Å; F625-V714 HydrophobicContact CE2-CG1 4.09Å; I710-V714 HydrophobicContact CG2-CG2 4.26Å; I710-V714 WeakPolarHBondContact O-CB 3.38Å; I710-V714 VanDerWaalsContact O-CG2 3.26Å; I710-V714 WeakPolarHBondContact O-CG2 3.43Å; I710-V714 PolarHBondContact O-N 3.43Å; R711-V714 PolarHBondContact O-N 3Å; D712-V714 VanDerWaalsContact C-N 3.34Å; D712-V714 PolarHBondContact O-N 3.28Å; V714-R716 VanDerWaalsContact C-N 3.29Å; V714-R716 PolarHBondContact O-N 3.28Å; V714-L717 PolarHBondContact O-N 2.99Å; V714-L717 VanDerWaalsContact O-N 3.16Å; V714-L727 HydrophobicContact CG1-CB 3.72Å; V714-F728 HydrophobicContact CG1-CB 4.33Å; V714-L731 HydrophobicContact CG1-CD1 4.44Å; V714-L731 HydrophobicContact CG2-CD1 4.16Å
715	N	86.8	Confident	79.9	Confident	16 Å²	16	34 Å²	34	9%	0.086	21%	0.206	C	C	.	.	H	α-helix	trans	-69.8	-23.2	-177.2	-74.9	-8.1	0	0	0	112.9	R711 L717 S718 D726 L727 F728	R711-N715 VanDerWaalsContact O-CB 3.32Å; R711-N715 WeakPolarHBondContact O-CB 3.22Å; R711-N715 PolarHBondContact O-N 3.38Å; N715-L717 PolarHBondContact O-N 3.49Å; N715-S718 WeakPolarHBondContact O-CB 3.21Å; N715-S718 PolarHBondContact O-N 2.91Å; N715-S718 PolarHBondContact O-OG 2.75Å; N715-S718 VanDerWaalsContact O-OG 3.05Å; N715-D726 PolarHBondContact ND2-OD1 2.9Å; N715-L727 WeakPolarHBondContact OD1-CA 3.33Å; N715-L727 PolarHBondContact OD1-N 2.68Å; N715-F728 PolarHBondContact OD1-N 2.84Å
716	R	77.5	Confident	80.3	Confident	75 Å²	75	32.3 Å²	32.3	28%	0.283	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.5	172.1	-174	176.3	-175.8	162.5	7.7	113.4	R461 Q475 D712 V714 S718	R461-R716 VanDerWaalsContact NH2-NH2 3.14Å; Q475-R716 PolarHBondContact O-NH1 3.03Å; Q475-R716 VanDerWaalsContact O-NH1 3.08Å; Q475-R716 PolarHBondContact O-NH2 2.7Å; D712-R716 WeakPolarHBondContact O-CB 3.33Å; D712-R716 PolarHBondContact O-N 2.9Å; V714-R716 VanDerWaalsContact C-N 3.29Å; V714-R716 PolarHBondContact O-N 3.28Å; R716-S718 PolarHBondContact O-N 3.45Å
717	L	82.1	Confident	80.7	Confident	22 Å²	22	32 Å²	32	12%	0.115	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	10	176.1	-62.6	166.2	0	0	0	112.4	F492 M553 K623 T624 F625 V714 N715	F492-L717 HydrophobicContact CD1-CD1 4.22Å; F492-L717 HydrophobicContact CE1-CD1 3.71Å; M553-L717 HydrophobicContact CE-CD1 3.57Å; M553-L717 HydrophobicContact CE-CD2 4.21Å; M553-L717 HydrophobicContact CE-CG 4.49Å; M553-L717 HydrophobicContact SD-CD2 4.47Å; K623-L717 HydrophobicContact CG-CD2 4Å; T624-L717 PolarHBondContact OG1-O 2.78Å; F625-L717 HydrophobicContact CD2-CB 4.23Å; F625-L717 HydrophobicContact CD2-CD1 4.07Å; F625-L717 HydrophobicContact CE1-CD1 4.26Å; F625-L717 HydrophobicContact CE2-CB 4.12Å; F625-L717 HydrophobicContact CE2-CD1 3.33Å; F625-L717 HydrophobicContact CE2-CG 4.37Å; F625-L717 HydrophobicContact CZ-CD1 3.46Å; F625-L717 VanDerWaalsContact CZ-CD1 3.46Å; V714-L717 PolarHBondContact O-N 2.99Å; V714-L717 VanDerWaalsContact O-N 3.16Å; N715-L717 PolarHBondContact O-N 3.49Å
718	S	83.3	Confident	80.9	Confident	24 Å²	24	32.3 Å²	32.3	17%	0.168	20%	0.197	C	C	.	.	S	Bend	trans	-59.5	144.9	169.4	72.3	0	0	0	0	110.3	N715 R716 P724	N715-S718 WeakPolarHBondContact O-CB 3.21Å; N715-S718 PolarHBondContact O-N 2.91Å; N715-S718 PolarHBondContact O-OG 2.75Å; N715-S718 VanDerWaalsContact O-OG 3.05Å; R716-S718 PolarHBondContact O-N 3.45Å; S718-P724 WeakPolarHBondContact OG-CB 3.2Å
719	P	76.1	Confident	81.2	Confident	13 Å²	13	32.3 Å²	32.3	8%	0.084	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.3	159.8	176.9	30.7	-39.6	0	0	0	112.5	W588 G721 L725	W588-P719 HydrophobicContact CD2-CB 3.73Å; W588-P719 HydrophobicContact CD2-CG 3.52Å; W588-P719 HydrophobicContact CE3-CB 3.4Å; W588-P719 HydrophobicContact CE3-CG 3.59Å; W588-P719 HydrophobicContact CG-CG 3.96Å; W588-P719 HydrophobicContact CH2-CB 3.45Å; W588-P719 VanDerWaalsContact CH2-CB 3.45Å; W588-P719 HydrophobicContact CH2-CG 4.32Å; W588-P719 HydrophobicContact CZ2-CB 3.73Å; W588-P719 HydrophobicContact CZ2-CG 4.21Å; W588-P719 HydrophobicContact CZ3-CB 3.22Å; W588-P719 HydrophobicContact CZ3-CG 3.98Å; P719-G721 PolarHBondContact O-N 2.86Å; P719-L725 HydrophobicContact CG-CD1 3.4Å; P719-L725 VanDerWaalsContact CG-CD1 3.4Å; P719-L725 HydrophobicContact CG-CG 3.95Å
720	P	69.6	Low	81.7	Confident	53 Å²	53	31.1 Å²	31.1	34%	0.344	19%	0.192	S	C	.	.	S	Bend	trans	-59.9	127	173.1	21	-28.8	0	0	0	111.5	P591 Y597 W622	P591-P720 HydrophobicContact CG-CG 4.1Å; Y597-P720 HydrophobicContact CD2-CG 3.69Å; Y597-P720 HydrophobicContact CE2-CG 3.63Å; W622-P720 HydrophobicContact CE3-CB 4.33Å; W622-P720 HydrophobicContact CE3-CG 3.83Å; W622-P720 HydrophobicContact CH2-CB 4.36Å; W622-P720 HydrophobicContact CH2-CG 4.44Å; W622-P720 HydrophobicContact CZ3-CB 3.65Å; W622-P720 HydrophobicContact CZ3-CG 3.62Å
721	G	68.4	Low	81.9	Confident	62 Å²	62	31 Å²	31	64%	0.639	19%	0.192	S	C	*	.	S	Bend	trans	-167.2	174	178.8	0	0	0	0	0	111.1	P719 Q723	P719-G721 PolarHBondContact O-N 2.86Å; G721-Q723 PolarHBondContact O-N 3.48Å
722	A	68	Low	82.1	Confident	114 Å²	114	29.5 Å²	29.5	94%	0.942	19%	0.186	S	C	*	.	S	Bend	trans	-63.8	-31.4	176.9	0	0	0	0	0	112.4
723	Q	78.3	Confident	82.5	Confident	79 Å²	79	31.1 Å²	31.1	37%	0.369	19%	0.189	S	C	.	.	S	Bend	trans	-133.2	143.8	174.2	-72	-176.3	-17.6	0	0	109.6	G721 E764 T766	G721-Q723 PolarHBondContact O-N 3.48Å; Q723-E764 PolarHBondContact NE2-OE2 3.12Å; Q723-T766 WeakPolarHBondContact CB-OG1 3.41Å; Q723-T766 PolarHBondContact OE1-OG1 3.41Å
724	P	81.8	Confident	82.8	Confident	41 Å²	41	32.2 Å²	32.2	27%	0.266	20%	0.196	S	C	.	.			trans	-65.3	143.2	175	26.5	-32.7	0	0	0	111.2	S718 T765 T766	S718-P724 WeakPolarHBondContact OG-CB 3.2Å; P724-T765 HydrophobicContact CG-CG2 4.14Å; P724-T765 CarbonylContact O-C 3.3Å; P724-T765 WeakPolarHBondContact O-CA 3.21Å; P724-T766 PolarHBondContact O-N 2.88Å
725	L	85.6	Confident	82.8	Confident	25 Å²	25	33.7 Å²	33.7	13%	0.131	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-76.9	141.6	173.5	-61.9	-176.6	0	0	0	110.8	W588 P719 L727 L768	W588-L725 HydrophobicContact CB-CD1 3.69Å; W588-L725 HydrophobicContact CG-CD1 3.82Å; P719-L725 HydrophobicContact CG-CD1 3.4Å; P719-L725 VanDerWaalsContact CG-CD1 3.4Å; P719-L725 HydrophobicContact CG-CG 3.95Å; L725-L727 VanDerWaalsContact C-N 3.27Å; L725-L727 HydrophobicContact CB-CD2 4.28Å; L725-L727 HydrophobicContact CB-CG 4.47Å; L725-L727 PolarHBondContact O-N 2.85Å; L725-L768 HydrophobicContact CD1-CD1 4.31Å; L725-L768 HydrophobicContact CD1-CD2 4.11Å
726	D	88.2	Confident	82.8	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.021	20%	0.198	C	C	.	.			trans	-78	74.9	175.4	-167.1	5.5	0	0	0	111.9	N715 F728 S729 Q747 T766	N715-D726 PolarHBondContact ND2-OD1 2.9Å; D726-F728 VanDerWaalsContact C-N 3.31Å; D726-S729 VanDerWaalsContact CG-OG 3.23Å; D726-S729 PolarHBondContact OD1-N 2.86Å; D726-S729 PolarHBondContact OD1-OG 3.25Å; D726-S729 WeakPolarHBondContact OD2-CB 3.44Å; D726-S729 PolarHBondContact OD2-OG 2.93Å; D726-Q747 PolarHBondContact OD2-NE2 2.82Å; D726-T766 PolarHBondContact N-O 3.01Å
727	L	88.5	Confident	83.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-29.5	177.3	-65	-170.7	0	0	0	112.4	P579 F580 F625 V714 N715 L725 C730 L731 L768	P579-L727 HydrophobicContact CB-CD2 4.22Å; P579-L727 HydrophobicContact CG-CD2 3.78Å; F580-L727 HydrophobicContact CE2-CB 4.18Å; F580-L727 VanDerWaalsContact CE2-O 3.3Å; F580-L727 WeakPolarHBondContact CE2-O 3.43Å; F625-L727 HydrophobicContact CD2-CD1 4.22Å; V714-L727 HydrophobicContact CG1-CB 3.72Å; N715-L727 WeakPolarHBondContact OD1-CA 3.33Å; N715-L727 PolarHBondContact OD1-N 2.68Å; L725-L727 VanDerWaalsContact C-N 3.27Å; L725-L727 HydrophobicContact CB-CD2 4.28Å; L725-L727 HydrophobicContact CB-CG 4.47Å; L725-L727 PolarHBondContact O-N 2.85Å; L727-C730 WeakPolarHBondContact O-CB 2.9Å; L727-C730 PolarHBondContact O-N 3.28Å; L727-L731 WeakPolarHBondContact O-CB 3.34Å; L727-L731 PolarHBondContact O-N 3.39Å; L727-L768 HydrophobicContact CD2-CD2 4.09Å
728	F	90.1	Very high	83.5	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-46.5	179.3	-179.9	-110.4	0	0	0	111.7	L707 I710 R711 V714 N715 D726 C730 L731 L732 L750	L707-F728 HydrophobicContact CD2-CZ 4.43Å; I710-F728 HydrophobicContact CB-CE2 4.38Å; I710-F728 HydrophobicContact CG2-CD2 4.27Å; I710-F728 HydrophobicContact CG2-CE2 3.84Å; R711-F728 HydrophobicContact CB-CB 4.26Å; R711-F728 HydrophobicContact CB-CD1 3.8Å; R711-F728 HydrophobicContact CB-CD2 3.97Å; R711-F728 HydrophobicContact CB-CE1 4.03Å; R711-F728 HydrophobicContact CB-CE2 4.21Å; R711-F728 HydrophobicContact CB-CG 3.74Å; R711-F728 HydrophobicContact CB-CZ 4.23Å; R711-F728 HydrophobicContact CG-CB 3.84Å; R711-F728 HydrophobicContact CG-CD1 3.65Å; R711-F728 HydrophobicContact CG-CD2 4.45Å; R711-F728 HydrophobicContact CG-CE1 4.28Å; R711-F728 HydrophobicContact CG-CG 3.73Å; V714-F728 HydrophobicContact CG1-CB 4.33Å; N715-F728 PolarHBondContact OD1-N 2.84Å; D726-F728 VanDerWaalsContact C-N 3.31Å; F728-C730 VanDerWaalsContact C-N 3.28Å; F728-C730 PolarHBondContact O-N 2.83Å; F728-L731 WeakPolarHBondContact O-CB 3.37Å; F728-L731 PolarHBondContact O-N 2.94Å; F728-L731 VanDerWaalsContact O-N 3.1Å; F728-L732 HydrophobicContact CD1-CD1 4.07Å; F728-L732 HydrophobicContact CD1-CG 4.45Å; F728-L732 HydrophobicContact CE1-CD1 3.58Å; F728-L732 HydrophobicContact CE1-CG 4.15Å; F728-L732 HydrophobicContact CE2-CD2 4.32Å; F728-L732 HydrophobicContact CE2-CG 4.38Å; F728-L732 HydrophobicContact CZ-CD1 3.9Å; F728-L732 HydrophobicContact CZ-CD2 4.13Å; F728-L732 HydrophobicContact CZ-CG 4.12Å; F728-L732 WeakPolarHBondContact O-CG 3.15Å; F728-L732 PolarHBondContact O-N 2.88Å; F728-L750 HydrophobicContact CE1-CD1 3.88Å; F728-L750 HydrophobicContact CZ-CD1 4.47Å
729	S	89.3	Confident	83.7	Confident	14 Å²	14	39.9 Å²	39.9	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-38.3	174.2	-68.5	0	0	0	0	112.5	D726 L732 R733	D726-S729 VanDerWaalsContact CG-OG 3.23Å; D726-S729 PolarHBondContact OD1-N 2.86Å; D726-S729 PolarHBondContact OD1-OG 3.25Å; D726-S729 WeakPolarHBondContact OD2-CB 3.44Å; D726-S729 PolarHBondContact OD2-OG 2.93Å; S729-L732 PolarHBondContact O-N 2.79Å; S729-R733 WeakPolarHBondContact O-CB 3.12Å; S729-R733 PolarHBondContact O-N 3.33Å
730	C	88.5	Confident	84.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-42.3	173.1	-70	0	0	0	0	112.4	F580 L727 F728 R733 H734 C769	F580-C730 HydrophobicContact CD2-CB 3.77Å; F580-C730 HydrophobicContact CE2-CB 4.4Å; L727-C730 WeakPolarHBondContact O-CB 2.9Å; L727-C730 PolarHBondContact O-N 3.28Å; F728-C730 VanDerWaalsContact C-N 3.28Å; F728-C730 PolarHBondContact O-N 2.83Å; C730-R733 PolarHBondContact O-N 2.89Å; C730-H734 PolarHBondContact O-CD2 3.41Å; C730-H734 VanDerWaalsContact O-CD2 3.27Å; C730-H734 PolarHBondContact O-N 3.25Å; C730-C769 HydrophobicContact CB-CB 3.94Å; C730-C769 WeakPolarHBondContact CB-SG 3.37Å; C730-C769 WeakPolarHBondContact SG-CB 3.23Å; C730-C769 PolarHBondContact SG-N 2.67Å; C730-C769 VanDerWaalsContact SG-N 3.39Å; C730-C769 CovalentContact SG-SG 2.03Å; C730-C769 PolarHBondContact SG-SG 3.01Å
731	L	89.2	Confident	85	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-47.6	177.5	180	149.4	0	0	0	110.8	I490 F580 F679 V714 L727 F728 R733 R735 L736	I490-L731 HydrophobicContact CD1-CD1 4Å; F580-L731 HydrophobicContact CD2-CB 4.11Å; F580-L731 HydrophobicContact CE1-CB 4.29Å; F580-L731 HydrophobicContact CE1-CD1 3.88Å; F580-L731 HydrophobicContact CE1-CG 4.35Å; F580-L731 HydrophobicContact CE2-CB 3.85Å; F580-L731 HydrophobicContact CG-CB 4.45Å; F580-L731 HydrophobicContact CZ-CB 3.95Å; F580-L731 HydrophobicContact CZ-CD1 3.83Å; F580-L731 HydrophobicContact CZ-CG 4.36Å; F679-L731 HydrophobicContact CE2-CD1 3.93Å; F679-L731 HydrophobicContact CE2-CD2 3.87Å; F679-L731 HydrophobicContact CE2-CG 4.12Å; F679-L731 HydrophobicContact CZ-CD2 4Å; F679-L731 HydrophobicContact CZ-CG 4.31Å; V714-L731 HydrophobicContact CG1-CD1 4.44Å; V714-L731 HydrophobicContact CG2-CD1 4.16Å; L727-L731 WeakPolarHBondContact O-CB 3.34Å; L727-L731 PolarHBondContact O-N 3.39Å; F728-L731 WeakPolarHBondContact O-CB 3.37Å; F728-L731 PolarHBondContact O-N 2.94Å; F728-L731 VanDerWaalsContact O-N 3.1Å; L731-R733 VanDerWaalsContact C-N 3.33Å; L731-R733 PolarHBondContact O-N 2.61Å; L731-R735 WeakPolarHBondContact O-CA 3.27Å; L731-R735 VanDerWaalsContact O-CB 3.31Å; L731-R735 WeakPolarHBondContact O-CB 3.38Å; L731-R735 PolarHBondContact O-N 3.01Å; L731-L736 HydrophobicContact CD2-CD1 3.7Å; L731-L736 PolarHBondContact O-N 2.85Å
732	L	89.2	Confident	85.9	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-44	176.2	-69.6	-174.7	0	0	0	112.2	I688 F728 S729 L736 K737 L738 V743 I746	I688-L732 HydrophobicContact CD1-CD2 4.04Å; F728-L732 HydrophobicContact CD1-CD1 4.07Å; F728-L732 HydrophobicContact CD1-CG 4.45Å; F728-L732 HydrophobicContact CE1-CD1 3.58Å; F728-L732 HydrophobicContact CE1-CG 4.15Å; F728-L732 HydrophobicContact CE2-CD2 4.32Å; F728-L732 HydrophobicContact CE2-CG 4.38Å; F728-L732 HydrophobicContact CZ-CD1 3.9Å; F728-L732 HydrophobicContact CZ-CD2 4.13Å; F728-L732 HydrophobicContact CZ-CG 4.12Å; F728-L732 WeakPolarHBondContact O-CG 3.15Å; F728-L732 PolarHBondContact O-N 2.88Å; S729-L732 PolarHBondContact O-N 2.79Å; L732-L736 HydrophobicContact CD2-CD1 4.16Å; L732-L736 HydrophobicContact CD2-CD2 4.07Å; L732-L736 VanDerWaalsContact O-CB 3.31Å; L732-L736 WeakPolarHBondContact O-CB 3.19Å; L732-L736 PolarHBondContact O-N 2.99Å; L732-K737 PolarHBondContact O-N 2.78Å; L732-L738 HydrophobicContact CB-CD1 4.2Å; L732-L738 HydrophobicContact CD2-CD1 4.19Å; L732-L738 PolarHBondContact O-N 2.91Å; L732-V743 HydrophobicContact CB-CG2 3.89Å; L732-V743 HydrophobicContact CD1-CG1 4.41Å; L732-I746 HydrophobicContact CD1-CD1 4.27Å; L732-I746 HydrophobicContact CD1-CG2 4.24Å
733	R	87.9	Confident	86.9	Confident	73 Å²	73	39.4 Å²	39.4	28%	0.275	20%	0.203	S	C	.	.	H	α-helix	trans	-70	-51.1	-178.8	-170	-163.6	-178.1	101.3	-11.7	112.8	S729 C730 L731 K737 S770	S729-R733 WeakPolarHBondContact O-CB 3.12Å; S729-R733 PolarHBondContact O-N 3.33Å; C730-R733 PolarHBondContact O-N 2.89Å; L731-R733 VanDerWaalsContact C-N 3.33Å; L731-R733 PolarHBondContact O-N 2.61Å; R733-K737 WeakPolarHBondContact O-CA 3.19Å; R733-K737 PolarHBondContact O-N 3.31Å; R733-S770 PolarHBondContact NH1-O 3.3Å; R733-S770 PolarHBondContact NH1-OXT 3.24Å; R733-S770 PolarHBondContact NH2-O 3.41Å
734	H	86.4	Confident	87.3	Confident	53 Å²	53	39.1 Å²	39.1	25%	0.245	21%	0.207	C	C	.	.	H	α-helix	trans	-90.2	-34.1	-169.4	-64.9	-74.8	0	0	0	113.5	F580 E586 C730	F580-H734 HydrophobicContact CB-CB 4.07Å; F580-H734 WeakPolarHBondContact O-CB 3.42Å; E586-H734 IonicContact OE1-CE1 2.62Å; E586-H734 IonicContact OE1-NE2 3.35Å; E586-H734 IonicContact OE2-CE1 3.91Å; E586-H734 PolarHBondContact OE2-CE1 3.07Å; E586-H734 IonicContact OE2-NE2 3.08Å; E586-H734 PolarHBondContact OE2-NE2 2.92Å; C730-H734 PolarHBondContact O-CD2 3.41Å; C730-H734 VanDerWaalsContact O-CD2 3.27Å; C730-H734 PolarHBondContact O-N 3.25Å
735	R	85.1	Confident	87.7	Confident	31 Å²	31	41.4 Å²	41.4	12%	0.117	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-42.5	-179	-62.9	-57.9	-172.8	148.7	0.6	112.8	K547 F580 E627 F679 L731	K547-R735 PolarHBondContact O-NH1 3.43Å; F580-R735 HydrophobicContact CB-CG 4.31Å; F580-R735 HydrophobicContact CD1-CG 4.04Å; F580-R735 HydrophobicContact CG-CG 4.48Å; E627-R735 VanDerWaalsContact CD-NH2 3.26Å; E627-R735 IonicContact OE1-NH2 2.81Å; E627-R735 IonicContact OE2-CZ 3.76Å; E627-R735 IonicContact OE2-NE 2.87Å; E627-R735 PolarHBondContact OE2-NE 3.26Å; E627-R735 IonicContact OE2-NH2 3.76Å; E627-R735 PolarHBondContact OE2-NH2 3.34Å; F679-R735 HydrophobicContact CE1-CB 3.73Å; F679-R735 HydrophobicContact CE1-CG 4.47Å; F679-R735 HydrophobicContact CZ-CB 3.88Å; L731-R735 WeakPolarHBondContact O-CA 3.27Å; L731-R735 VanDerWaalsContact O-CB 3.31Å; L731-R735 WeakPolarHBondContact O-CB 3.38Å; L731-R735 PolarHBondContact O-N 3.01Å
736	L	86.6	Confident	87.8	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.026	20%	0.204	C	C	.	.	S	Bend	trans	-86	-9.2	174.8	-74.9	82.2	0	0	0	113.4	F679 I684 Q685 I688 L731 L732 L738	F679-L736 HydrophobicContact CE1-CD1 4.49Å; F679-L736 HydrophobicContact CZ-CD1 3.68Å; I684-L736 HydrophobicContact CB-CD2 3.97Å; I684-L736 HydrophobicContact CG2-CD1 4.39Å; I684-L736 HydrophobicContact CG2-CD2 3.6Å; Q685-L736 HydrophobicContact CG-CD2 3.79Å; Q685-L736 HydrophobicContact CG-CG 4.28Å; Q685-L736 PolarHBondContact NE2-O 2.78Å; I688-L736 HydrophobicContact CD1-CD2 3.73Å; L731-L736 HydrophobicContact CD2-CD1 3.7Å; L731-L736 PolarHBondContact O-N 2.85Å; L732-L736 HydrophobicContact CD2-CD1 4.16Å; L732-L736 HydrophobicContact CD2-CD2 4.07Å; L732-L736 VanDerWaalsContact O-CB 3.31Å; L732-L736 WeakPolarHBondContact O-CB 3.19Å; L732-L736 PolarHBondContact O-N 2.99Å; L736-L738 HydrophobicContact CB-CD1 4.21Å; L736-L738 HydrophobicContact CB-CG 3.89Å; L736-L738 HydrophobicContact CD2-CD1 4.31Å; L736-L738 PolarHBondContact O-N 2.93Å
737	K	86.7	Confident	87.7	Confident	181 Å²	181	42 Å²	42	79%	0.787	21%	0.212	S	C	*	.			trans	58.3	31.1	-178.4	-58	179.5	-178	171.6	0	113.6	L732 R733	L732-K737 PolarHBondContact O-N 2.78Å; R733-K737 WeakPolarHBondContact O-CA 3.19Å; R733-K737 PolarHBondContact O-N 3.31Å
738	L	86.8	Confident	87.6	Confident	35 Å²	35	44.1 Å²	44.1	18%	0.183	23%	0.229	C	C	.	.			trans	-73.2	150.4	177.2	-63.1	179.1	0	0	0	111.5	I688 L732 L736 D742 V743 I746	I688-L738 HydrophobicContact CD1-CD1 3.71Å; L732-L738 HydrophobicContact CB-CD1 4.2Å; L732-L738 HydrophobicContact CD2-CD1 4.19Å; L732-L738 PolarHBondContact O-N 2.91Å; L736-L738 HydrophobicContact CB-CD1 4.21Å; L736-L738 HydrophobicContact CB-CG 3.89Å; L736-L738 HydrophobicContact CD2-CD1 4.31Å; L736-L738 PolarHBondContact O-N 2.93Å; L738-D742 HydrophobicContact CB-CB 4.28Å; L738-V743 HydrophobicContact CB-CG2 4.06Å; L738-I746 HydrophobicContact CD1-CD1 3.87Å
739	S	87.9	Confident	87.4	Confident	46 Å²	46	45.5 Å²	45.5	32%	0.322	24%	0.242	S	C	.	.			trans	-70.5	158.5	175.4	73.8	0	0	0	0	111.3	T741 D742 V743	S739-T741 PolarHBondContact O-N 3.1Å; S739-T741 PolarHBondContact OG-OG1 3.18Å; S739-D742 WeakPolarHBondContact CB-OD2 3.46Å; S739-D742 PolarHBondContact N-OD2 3.07Å; S739-D742 PolarHBondContact O-N 3.23Å; S739-D742 VanDerWaalsContact O-N 3.16Å; S739-D742 PolarHBondContact OG-N 3.03Å; S739-D742 PolarHBondContact OG-OD2 2.91Å; S739-V743 WeakPolarHBondContact O-CG2 3.35Å; S739-V743 PolarHBondContact O-N 3.48Å; S739-V743 VanDerWaalsContact O-N 3.1Å
740	T	86.2	Confident	87.2	Confident	67 Å²	67	45 Å²	45	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-52.3	-42.6	173	39.8	0	0	0	0	112.1	V743 T744 S770	T740-V743 PolarHBondContact O-N 2.86Å; T740-T744 WeakPolarHBondContact O-CG2 3.42Å; T740-T744 PolarHBondContact O-N 3.39Å; T740-T744 PolarHBondContact O-OG1 2.83Å; T740-S770 WeakPolarHBondContact CG2-OXT 2.9Å
741	T	87.2	Confident	86.9	Confident	93 Å²	93	49.1 Å²	49.1	57%	0.571	26%	0.258	S	S	*	.	H	α-helix	trans	-64.2	-41.1	-179.2	43.8	0	0	0	0	111.7	S739 T744 R745	S739-T741 PolarHBondContact O-N 3.1Å; S739-T741 PolarHBondContact OG-OG1 3.18Å; T741-T744 WeakPolarHBondContact CA-OG1 3.2Å; T741-T744 PolarHBondContact O-N 2.88Å; T741-T744 PolarHBondContact O-OG1 3.46Å; T741-R745 WeakPolarHBondContact O-CB 3.39Å; T741-R745 PolarHBondContact O-N 3.28Å
742	D	87.4	Confident	86.6	Confident	59 Å²	59	53 Å²	53	32%	0.316	28%	0.281	S	S	.	.	H	α-helix	trans	-66.8	-42.8	178.3	-62.1	-38.9	0	0	0	111.6	L738 S739 T744 R745 I746	L738-D742 HydrophobicContact CB-CB 4.28Å; S739-D742 WeakPolarHBondContact CB-OD2 3.46Å; S739-D742 PolarHBondContact N-OD2 3.07Å; S739-D742 PolarHBondContact O-N 3.23Å; S739-D742 VanDerWaalsContact O-N 3.16Å; S739-D742 PolarHBondContact OG-N 3.03Å; S739-D742 PolarHBondContact OG-OD2 2.91Å; D742-T744 VanDerWaalsContact C-N 3.34Å; D742-T744 PolarHBondContact O-N 2.66Å; D742-R745 WeakPolarHBondContact O-CB 3.5Å; D742-R745 PolarHBondContact O-N 3.35Å; D742-I746 VanDerWaalsContact O-CG1 3.27Å; D742-I746 WeakPolarHBondContact O-CG1 3.27Å; D742-I746 PolarHBondContact O-N 2.95Å
743	V	88.1	Confident	86.2	Confident	12 Å²	12	54.1 Å²	54.1	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-44.9	177.4	176.8	0	0	0	0	110.6	L732 L738 S739 T740 R745 I746 Q747	L732-V743 HydrophobicContact CB-CG2 3.89Å; L732-V743 HydrophobicContact CD1-CG1 4.41Å; L738-V743 HydrophobicContact CB-CG2 4.06Å; S739-V743 WeakPolarHBondContact O-CG2 3.35Å; S739-V743 PolarHBondContact O-N 3.48Å; S739-V743 VanDerWaalsContact O-N 3.1Å; T740-V743 PolarHBondContact O-N 2.86Å; V743-R745 VanDerWaalsContact C-N 3.31Å; V743-R745 PolarHBondContact O-N 3.46Å; V743-I746 PolarHBondContact O-N 2.94Å; V743-Q747 WeakPolarHBondContact O-CB 3.24Å; V743-Q747 PolarHBondContact O-N 3.33Å
744	T	87.1	Confident	85.6	Confident	74 Å²	74	51 Å²	51	45%	0.454	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-36.3	176.5	53.2	0	0	0	0	113.1	T740 T741 D742 A748	T740-T744 WeakPolarHBondContact O-CG2 3.42Å; T740-T744 PolarHBondContact O-N 3.39Å; T740-T744 PolarHBondContact O-OG1 2.83Å; T741-T744 WeakPolarHBondContact CA-OG1 3.2Å; T741-T744 PolarHBondContact O-N 2.88Å; T741-T744 PolarHBondContact O-OG1 3.46Å; D742-T744 VanDerWaalsContact C-N 3.34Å; D742-T744 PolarHBondContact O-N 2.66Å; T744-A748 WeakPolarHBondContact O-CB 3.43Å; T744-A748 PolarHBondContact O-N 2.66Å
745	R	89.2	Confident	85	Confident	88 Å²	88	52 Å²	52	33%	0.332	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-47.3	177	179	-174.2	67.6	94.1	-6.9	110.9	D692 T741 D742 V743 Q747 A748 A749	D692-R745 IonicContact OD1-CZ 3.1Å; D692-R745 VanDerWaalsContact OD1-CZ 3.3Å; D692-R745 IonicContact OD1-NH1 2.94Å; D692-R745 PolarHBondContact OD1-NH1 2.86Å; D692-R745 IonicContact OD1-NH2 2.65Å; D692-R745 PolarHBondContact OD1-NH2 3.49Å; D692-R745 IonicContact OD2-CZ 3.63Å; D692-R745 IonicContact OD2-NH1 3.63Å; D692-R745 PolarHBondContact OD2-NH1 3.48Å; D692-R745 IonicContact OD2-NH2 3.24Å; D692-R745 PolarHBondContact OD2-NH2 3.31Å; T741-R745 WeakPolarHBondContact O-CB 3.39Å; T741-R745 PolarHBondContact O-N 3.28Å; D742-R745 WeakPolarHBondContact O-CB 3.5Å; D742-R745 PolarHBondContact O-N 3.35Å; V743-R745 VanDerWaalsContact C-N 3.31Å; V743-R745 PolarHBondContact O-N 3.46Å; R745-Q747 VanDerWaalsContact C-N 3.35Å; R745-A748 PolarHBondContact O-N 2.84Å; R745-A749 WeakPolarHBondContact O-CB 3.4Å; R745-A749 PolarHBondContact O-N 3.26Å
746	I	87.8	Confident	84.3	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-44.8	177.5	-65.7	162.7	0	0	0	110	I688 L732 L738 D742 V743 A748 A749 L750	I688-I746 HydrophobicContact CD1-CD1 3.86Å; I688-I746 HydrophobicContact CG1-CD1 4.13Å; I688-I746 HydrophobicContact CG2-CD1 3.82Å; I688-I746 HydrophobicContact CG2-CG1 4.37Å; L732-I746 HydrophobicContact CD1-CD1 4.27Å; L732-I746 HydrophobicContact CD1-CG2 4.24Å; L738-I746 HydrophobicContact CD1-CD1 3.87Å; D742-I746 VanDerWaalsContact O-CG1 3.27Å; D742-I746 WeakPolarHBondContact O-CG1 3.27Å; D742-I746 PolarHBondContact O-N 2.95Å; V743-I746 PolarHBondContact O-N 2.94Å; I746-A748 PolarHBondContact O-N 2.61Å; I746-A749 PolarHBondContact O-N 3.2Å; I746-L750 HydrophobicContact CG2-CD1 3.96Å; I746-L750 HydrophobicContact CG2-CG 4.38Å; I746-L750 VanDerWaalsContact O-CG 3.3Å; I746-L750 WeakPolarHBondContact O-CG 3.49Å; I746-L750 PolarHBondContact O-N 2.93Å
747	Q	86.6	Confident	83.1	Confident	40 Å²	40	60.3 Å²	60.3	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-46.5	177.4	-167.6	169.3	20.1	0	0	111.1	D726 V743 R745 A749 L750 Q751	D726-Q747 PolarHBondContact OD2-NE2 2.82Å; V743-Q747 WeakPolarHBondContact O-CB 3.24Å; V743-Q747 PolarHBondContact O-N 3.33Å; R745-Q747 VanDerWaalsContact C-N 3.35Å; Q747-A749 VanDerWaalsContact C-N 3.34Å; Q747-A749 PolarHBondContact O-N 2.95Å; Q747-L750 PolarHBondContact O-N 3.28Å; Q747-Q751 VanDerWaalsContact O-CG 3.23Å; Q747-Q751 WeakPolarHBondContact O-CG 3.15Å; Q747-Q751 PolarHBondContact O-N 3.48Å
748	A	86.1	Confident	80.9	Confident	45 Å²	45	56.1 Å²	56.1	37%	0.372	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-38.2	176.9	0	0	0	0	0	113	T744 R745 I746 Q751 T752	T744-A748 WeakPolarHBondContact O-CB 3.43Å; T744-A748 PolarHBondContact O-N 2.66Å; R745-A748 PolarHBondContact O-N 2.84Å; I746-A748 PolarHBondContact O-N 2.61Å; A748-Q751 PolarHBondContact O-N 3.33Å; A748-T752 WeakPolarHBondContact O-CB 3.03Å; A748-T752 PolarHBondContact O-N 3.49Å; A748-T752 PolarHBondContact O-OG1 3.4Å
749	A	85.9	Confident	78.8	Confident	36 Å²	36	60.8 Å²	60.8	30%	0.298	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-44.3	175.7	0	0	0	0	0	111.6	L704 R745 I746 Q747 T752 F753	L704-A749 HydrophobicContact CD2-CB 4.29Å; R745-A749 WeakPolarHBondContact O-CB 3.4Å; R745-A749 PolarHBondContact O-N 3.26Å; I746-A749 PolarHBondContact O-N 3.2Å; Q747-A749 VanDerWaalsContact C-N 3.34Å; Q747-A749 PolarHBondContact O-N 2.95Å; A749-T752 PolarHBondContact O-N 3.47Å; A749-F753 VanDerWaalsContact O-CB 3.31Å; A749-F753 WeakPolarHBondContact O-CB 3.49Å; A749-F753 PolarHBondContact O-N 3.43Å
750	L	85.1	Confident	76.6	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-39.8	176.5	-67.8	173	0	0	0	112.4	L704 L707 L708 F728 I746 Q747 F753 S754	L704-L750 HydrophobicContact CD2-CD2 3.93Å; L707-L750 HydrophobicContact CB-CD2 3.75Å; L708-L750 HydrophobicContact CD2-CB 3.85Å; L708-L750 HydrophobicContact CD2-CD2 3.81Å; L708-L750 HydrophobicContact CD2-CG 4.3Å; L708-L750 HydrophobicContact CG-CD2 3.75Å; F728-L750 HydrophobicContact CE1-CD1 3.88Å; F728-L750 HydrophobicContact CZ-CD1 4.47Å; I746-L750 HydrophobicContact CG2-CD1 3.96Å; I746-L750 HydrophobicContact CG2-CG 4.38Å; I746-L750 VanDerWaalsContact O-CG 3.3Å; I746-L750 WeakPolarHBondContact O-CG 3.49Å; I746-L750 PolarHBondContact O-N 2.93Å; Q747-L750 PolarHBondContact O-N 3.28Å; L750-F753 PolarHBondContact O-N 2.87Å; L750-S754 WeakPolarHBondContact O-CB 3.29Å; L750-S754 PolarHBondContact O-N 2.68Å
751	Q	83.2	Confident	74.8	Confident	88 Å²	88	62.7 Å²	62.7	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-48	175.1	-69.9	-179.7	-34.1	0	0	111.3	Q747 A748 F753 S754 A755 E762	Q747-Q751 VanDerWaalsContact O-CG 3.23Å; Q747-Q751 WeakPolarHBondContact O-CG 3.15Å; Q747-Q751 PolarHBondContact O-N 3.48Å; A748-Q751 PolarHBondContact O-N 3.33Å; Q751-F753 VanDerWaalsContact C-N 3.28Å; Q751-F753 PolarHBondContact O-N 3.01Å; Q751-S754 PolarHBondContact O-N 3.09Å; Q751-A755 WeakPolarHBondContact O-CB 3.46Å; Q751-A755 PolarHBondContact O-N 3Å; Q751-E762 VanDerWaalsContact CG-OE1 3.26Å; Q751-E762 WeakPolarHBondContact CG-OE1 3.32Å
752	T	82.9	Confident	73.2	Confident	82 Å²	82	63.1 Å²	63.1	50%	0.503	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-39	178.3	-55.9	0	0	0	0	111.6	A748 A749 K756	A748-T752 WeakPolarHBondContact O-CB 3.03Å; A748-T752 PolarHBondContact O-N 3.49Å; A748-T752 PolarHBondContact O-OG1 3.4Å; A749-T752 PolarHBondContact O-N 3.47Å; T752-K756 WeakPolarHBondContact O-CG 3.27Å
753	F	80.7	Confident	71.9	Confident	25 Å²	25	66.9 Å²	66.9	11%	0.11	36%	0.36	C	S	.	.	H	α-helix	trans	-71.8	-43.4	177.3	-176.5	-112.9	0	0	0	112.1	D701 L704 L705 L708 A749 L750 Q751 A755 K756 Q757	D701-F753 HydrophobicContact CB-CE2 3.96Å; D701-F753 HydrophobicContact CB-CZ 4.11Å; D701-F753 WeakPolarHBondContact OD1-CE2 3.15Å; L704-F753 HydrophobicContact CB-CD1 3.54Å; L704-F753 HydrophobicContact CB-CD2 4.27Å; L704-F753 HydrophobicContact CB-CE1 3.62Å; L704-F753 HydrophobicContact CB-CE2 4.36Å; L704-F753 HydrophobicContact CB-CG 3.88Å; L704-F753 HydrophobicContact CB-CZ 4.06Å; L704-F753 HydrophobicContact CD1-CB 4.04Å; L704-F753 HydrophobicContact CD1-CD1 4.38Å; L704-F753 HydrophobicContact CD1-CD2 3.75Å; L704-F753 HydrophobicContact CD1-CE2 4.28Å; L704-F753 HydrophobicContact CD1-CG 3.82Å; L704-F753 HydrophobicContact CG-CD1 4.47Å; L704-F753 HydrophobicContact CG-CG 4.36Å; L705-F753 HydrophobicContact CD2-CE1 3.97Å; L705-F753 HydrophobicContact CD2-CZ 4.3Å; L705-F753 HydrophobicContact CG-CE1 3.81Å; L705-F753 HydrophobicContact CG-CZ 3.9Å; L708-F753 HydrophobicContact CD1-CD1 3.54Å; L708-F753 HydrophobicContact CD1-CE1 3.9Å; L708-F753 HydrophobicContact CG-CD1 4.41Å; A749-F753 VanDerWaalsContact O-CB 3.31Å; A749-F753 WeakPolarHBondContact O-CB 3.49Å; A749-F753 PolarHBondContact O-N 3.43Å; L750-F753 PolarHBondContact O-N 2.87Å; Q751-F753 VanDerWaalsContact C-N 3.28Å; Q751-F753 PolarHBondContact O-N 3.01Å; F753-A755 VanDerWaalsContact C-N 3.32Å; F753-A755 PolarHBondContact O-N 3.42Å; F753-K756 WeakPolarHBondContact O-CB 3.24Å; F753-K756 PolarHBondContact O-N 3.33Å; F753-K756 VanDerWaalsContact O-N 3.07Å; F753-Q757 VanDerWaalsContact CZ-NE2 3.33Å; F753-Q757 PolarHBondContact O-N 2.83Å
754	S	73.9	Confident	70.9	Confident	8 Å²	8	73.4 Å²	73.4	6%	0.056	39%	0.39	C	S	.	.	H	α-helix	trans	-58.4	-42.2	174.6	-176	0	0	0	0	111.8	L750 Q751 K756 Q757 S760	L750-S754 WeakPolarHBondContact O-CB 3.29Å; L750-S754 PolarHBondContact O-N 2.68Å; Q751-S754 PolarHBondContact O-N 3.09Å; S754-K756 PolarHBondContact O-N 3.47Å; S754-K756 VanDerWaalsContact O-N 3.17Å; S754-Q757 PolarHBondContact O-N 3.21Å; S754-S760 WeakPolarHBondContact O-CB 3.49Å; S754-S760 PolarHBondContact O-OG 2.96Å; S754-S760 VanDerWaalsContact O-OG 3.12Å; S754-S760 VanDerWaalsContact OG-CB 3.25Å; S754-S760 WeakPolarHBondContact OG-CB 3.25Å
755	A	74.6	Confident	70.4	Confident	73 Å²	73	71.9 Å²	71.9	60%	0.603	38%	0.38	S	S	*	.	H	α-helix	trans	-61.6	-23.7	176.7	0	0	0	0	0	113.8	Q751 F753	Q751-A755 WeakPolarHBondContact O-CB 3.46Å; Q751-A755 PolarHBondContact O-N 3Å; F753-A755 VanDerWaalsContact C-N 3.32Å; F753-A755 PolarHBondContact O-N 3.42Å
756	K	71.4	Confident	70.1	Confident	167 Å²	167	70.6 Å²	70.6	73%	0.726	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.4	176	-67	175.4	-177.9	179.8	0	113.2	T752 F753 S754	T752-K756 WeakPolarHBondContact O-CG 3.27Å; F753-K756 WeakPolarHBondContact O-CB 3.24Å; F753-K756 PolarHBondContact O-N 3.33Å; F753-K756 VanDerWaalsContact O-N 3.07Å; S754-K756 PolarHBondContact O-N 3.47Å; S754-K756 VanDerWaalsContact O-N 3.17Å
757	Q	59.8	Low	69.8	Low	45 Å²	45	77.6 Å²	77.6	21%	0.21	41%	0.413	C	S	.	.	S	Bend	trans	-90.4	140.5	-178.6	-66.8	-168.9	1	0	0	112.3	F753 S754 N759	F753-Q757 VanDerWaalsContact CZ-NE2 3.33Å; F753-Q757 PolarHBondContact O-N 2.83Å; S754-Q757 PolarHBondContact O-N 3.21Å; Q757-N759 PolarHBondContact O-N 3.35Å
758	P	41.4	Very low	69.6	Low	93 Å²	93	77 Å²	77	60%	0.604	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	131.1	172.1	26.5	-30.8	0	0	0	109.9
759	N	41.8	Very low	69.3	Low	132 Å²	132	75.5 Å²	75.5	71%	0.706	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	41.9	-176.2	-56.9	-30.2	0	0	0	116.2	Q757 I761	Q757-N759 PolarHBondContact O-N 3.35Å; N759-I761 PolarHBondContact O-N 3.45Å; N759-I761 VanDerWaalsContact O-N 3.11Å
760	S	42.3	Very low	68.2	Low	53 Å²	53	79.4 Å²	79.4	37%	0.371	42%	0.423	S	S	.	.			trans	-69	109.4	168.7	49.7	0	0	0	0	111.6	S754 E762	S754-S760 WeakPolarHBondContact O-CB 3.49Å; S754-S760 PolarHBondContact O-OG 2.96Å; S754-S760 VanDerWaalsContact O-OG 3.12Å; S754-S760 VanDerWaalsContact OG-CB 3.25Å; S754-S760 WeakPolarHBondContact OG-CB 3.25Å; S760-E762 PolarHBondContact O-N 3.37Å
761	I	47.4	Very low	67.3	Low	101 Å²	101	83.3 Å²	83.3	52%	0.518	44%	0.444	S	S	.	.			trans	-89.7	93.4	167	-52.3	172.5	0	0	0	106.8	N759 Y763	N759-I761 PolarHBondContact O-N 3.45Å; N759-I761 VanDerWaalsContact O-N 3.11Å; I761-Y763 HydrophobicContact CB-CE2 4.08Å; I761-Y763 HydrophobicContact CG2-CD1 4.21Å; I761-Y763 HydrophobicContact CG2-CD2 4.06Å; I761-Y763 HydrophobicContact CG2-CE1 3.64Å; I761-Y763 HydrophobicContact CG2-CE2 3.47Å; I761-Y763 VanDerWaalsContact CG2-CE2 3.47Å; I761-Y763 HydrophobicContact CG2-CG 4.42Å; I761-Y763 WeakPolarHBondContact CG2-OH 3.49Å
762	E	54.8	Low	66.5	Low	102 Å²	102	83.1 Å²	83.1	48%	0.477	45%	0.445	S	S	.	.			trans	-84.2	114	172.8	-138.5	170.4	-162.6	0	0	108.6	Q751 S760	Q751-E762 VanDerWaalsContact CG-OE1 3.26Å; Q751-E762 WeakPolarHBondContact CG-OE1 3.32Å; S760-E762 PolarHBondContact O-N 3.37Å
763	Y	60.2	Low	65.6	Low	138 Å²	138	83.1 Å²	83.1	54%	0.541	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-92.6	128.9	173.3	-61.1	-80.3	0	0	0	108.6	I761 T765	I761-Y763 HydrophobicContact CB-CE2 4.08Å; I761-Y763 HydrophobicContact CG2-CD1 4.21Å; I761-Y763 HydrophobicContact CG2-CD2 4.06Å; I761-Y763 HydrophobicContact CG2-CE1 3.64Å; I761-Y763 HydrophobicContact CG2-CE2 3.47Å; I761-Y763 VanDerWaalsContact CG2-CE2 3.47Å; I761-Y763 HydrophobicContact CG2-CG 4.42Å; I761-Y763 WeakPolarHBondContact CG2-OH 3.49Å; Y763-T765 PolarHBondContact O-N 3.47Å; Y763-T765 VanDerWaalsContact O-N 3.17Å
764	E	66.3	Low	64.7	Low	148 Å²	148	86.5 Å²	86.5	69%	0.692	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-63.2	117.2	169.6	-73.7	-174.4	170.6	0	0	109.5	Q723	Q723-E764 PolarHBondContact NE2-OE2 3.12Å
765	T	78.1	Confident	64.1	Low	42 Å²	42	91.4 Å²	91.4	26%	0.258	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-99.9	136.7	176.9	55	0	0	0	0	111.1	P724 Y763	P724-T765 HydrophobicContact CG-CG2 4.14Å; P724-T765 CarbonylContact O-C 3.3Å; P724-T765 WeakPolarHBondContact O-CA 3.21Å; Y763-T765 PolarHBondContact O-N 3.47Å; Y763-T765 VanDerWaalsContact O-N 3.17Å
766	T	82.2	Confident	63.4	Low	62 Å²	62	92.7 Å²	92.7	38%	0.38	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-79.9	130.9	171.6	-47.6	0	0	0	0	110.1	Q723 P724 D726 L768	Q723-T766 WeakPolarHBondContact CB-OG1 3.41Å; Q723-T766 PolarHBondContact OE1-OG1 3.41Å; P724-T766 PolarHBondContact O-N 2.88Å; D726-T766 PolarHBondContact N-O 3.01Å; T766-L768 PolarHBondContact O-N 3.48Å
767	K	81.6	Confident	62.8	Low	148 Å²	148	87.4 Å²	87.4	64%	0.643	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-69.6	123.8	177.7	-68.2	-174.7	177.4	-176.1	0	110.8
768	L	82.5	Confident	63	Low	26 Å²	26	90.6 Å²	90.6	14%	0.136	48%	0.481	C	S	.	.			trans	-99	-41.6	174.1	-178.6	66.9	0	0	0	112.4	P579 W588 L725 L727 T766	P579-L768 HydrophobicContact CG-CD2 3.96Å; W588-L768 HydrophobicContact CB-CD1 4.24Å; L725-L768 HydrophobicContact CD1-CD1 4.31Å; L725-L768 HydrophobicContact CD1-CD2 4.11Å; L727-L768 HydrophobicContact CD2-CD2 4.09Å; T766-L768 PolarHBondContact O-N 3.48Å
769	C	79.3	Confident	64.8	Low	14 Å²	14	90.4 Å²	90.4	10%	0.095	47%	0.471	C	S	.	.			trans	-107.1	131.9	177.5	-50.9	0	0	0	0	109.6	C730	C730-C769 HydrophobicContact CB-CB 3.94Å; C730-C769 WeakPolarHBondContact CB-SG 3.37Å; C730-C769 WeakPolarHBondContact SG-CB 3.23Å; C730-C769 PolarHBondContact SG-N 2.67Å; C730-C769 VanDerWaalsContact SG-N 3.39Å; C730-C769 CovalentContact SG-SG 2.03Å; C730-C769 PolarHBondContact SG-SG 3.01Å
770	S	61.8	Low	66.9	Low	119 Å²	119	86.6 Å²	86.6	83%	0.832	45%	0.449	S	S	*	.			trans	-108.6	0	-174.2	62.5	0	0	0	0	112.3	R733 T740	R733-S770 PolarHBondContact NH1-O 3.3Å; R733-S770 PolarHBondContact NH1-OXT 3.24Å; R733-S770 PolarHBondContact NH2-O 3.41Å; T740-S770 WeakPolarHBondContact CG2-OXT 2.9Å

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