A0A087XRD3_POEFO Loading...

Cysteine protease

Cysteine protease that plays a key role in autophagy by mediating both proteolytic activation and delipidation of ATG8 family proteins.

AlphaFold DB , UniProt , Accession A0A087XRD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	46	Very low	241 Å²	241	127.2 Å²	127.2	100%	1.187	65%	0.653	S	S	*	*				0	31.2	0	-128.5	169.6	171.5	0	0	111.1
2	E	42.1	Very low	46.4	Very low	185 Å²	185	126 Å²	126	86%	0.864	65%	0.648	S	S	*	*			trans	-115.6	0.2	-162.5	-87.8	172.6	143.5	0	0	116.6
3	N	47.9	Very low	47.2	Very low	132 Å²	132	126.3 Å²	126.3	71%	0.706	64%	0.641	S	S	*	*	S	Bend	trans	-91	-9.8	179.8	-98.6	8.9	0	0	0	115.5
4	K	44.9	Very low	47.8	Very low	181 Å²	181	121.6 Å²	121.6	79%	0.787	62%	0.622	S	S	*	*	H	α-helix	trans	-73.4	-32.2	-175.9	-118.7	-179.6	179.1	-177	0	113.3	E8	K4-E8 WeakPolarHBondContact O-CG 3.32Å; K4-E8 PolarHBondContact O-N 2.68Å
5	G	40.7	Very low	48.3	Very low	49 Å²	49	120.9 Å²	120.9	51%	0.505	61%	0.613	S	S	.	*	H	α-helix	trans	-74.7	-33.4	-177.4	0	0	0	0	0	113.8	V9	G5-V9 WeakPolarHBondContact O-CG2 3.37Å; G5-V9 PolarHBondContact O-N 3.48Å
6	S	44.8	Very low	48.5	Very low	65 Å²	65	121.6 Å²	121.6	46%	0.455	61%	0.611	S	S	.	*	H	α-helix	trans	-68	-46.3	177.6	-175.3	0	0	0	0	111.5	E8 V9 E10	S6-E8 VanDerWaalsContact C-N 3.35Å; S6-E8 PolarHBondContact O-N 3.41Å; S6-V9 PolarHBondContact O-N 3.02Å; S6-E10 PolarHBondContact O-N 2.83Å
7	D	48.3	Very low	48.7	Very low	103 Å²	103	119.9 Å²	119.9	55%	0.551	60%	0.602	S	S	*	*	H	α-helix	trans	-63.6	-38.3	179.6	-76.6	0.1	0	0	0	112.4	K11	D7-K11 WeakPolarHBondContact O-CB 3.32Å; D7-K11 PolarHBondContact O-N 3.09Å
8	E	48.2	Very low	48.8	Very low	133 Å²	133	114.4 Å²	114.4	62%	0.621	58%	0.577	S	S	*	*	H	α-helix	trans	-68.8	-37.8	175.9	-71.2	-144.9	147.5	0	0	112.3	K4 S6 K11 L12	K4-E8 WeakPolarHBondContact O-CG 3.32Å; K4-E8 PolarHBondContact O-N 2.68Å; S6-E8 VanDerWaalsContact C-N 3.35Å; S6-E8 PolarHBondContact O-N 3.41Å; E8-K11 PolarHBondContact O-N 3.18Å; E8-L12 VanDerWaalsContact O-CB 3.3Å; E8-L12 WeakPolarHBondContact O-CB 3.48Å; E8-L12 WeakPolarHBondContact O-CD1 3.45Å; E8-L12 VanDerWaalsContact O-CG 3.23Å; E8-L12 WeakPolarHBondContact O-CG 3.3Å; E8-L12 PolarHBondContact O-N 3.17Å
9	V	46.8	Very low	48.8	Very low	70 Å²	70	114.5 Å²	114.5	42%	0.424	58%	0.576	S	S	.	*	H	α-helix	trans	-67.2	-41	176	171.3	0	0	0	0	111.2	G5 S6 L12 K13	G5-V9 WeakPolarHBondContact O-CG2 3.37Å; G5-V9 PolarHBondContact O-N 3.48Å; S6-V9 PolarHBondContact O-N 3.02Å; V9-L12 PolarHBondContact O-N 3.38Å; V9-K13 HydrophobicContact CG1-CD 4.21Å; V9-K13 WeakPolarHBondContact O-CB 3.49Å; V9-K13 VanDerWaalsContact O-CG 3.26Å; V9-K13 WeakPolarHBondContact O-CG 2.93Å; V9-K13 PolarHBondContact O-N 3.35Å
10	E	48.7	Very low	48.8	Very low	116 Å²	116	115.8 Å²	115.8	54%	0.542	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-41.8	174	-76.4	-167.2	161.5	0	0	112.2	S6 L12 K13 T14	S6-E10 PolarHBondContact O-N 2.83Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.5Å; E10-K13 PolarHBondContact O-N 3.23Å; E10-T14 WeakPolarHBondContact O-CB 3.45Å; E10-T14 PolarHBondContact O-N 2.77Å; E10-T14 PolarHBondContact O-OG1 3.43Å
11	K	52.6	Low	48.8	Very low	124 Å²	124	111.2 Å²	111.2	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-61.8	-39.9	174.7	-169.1	175.2	-174.5	176.4	0	111.7	D7 E8 K15	D7-K11 WeakPolarHBondContact O-CB 3.32Å; D7-K11 PolarHBondContact O-N 3.09Å; E8-K11 PolarHBondContact O-N 3.18Å; K11-K15 WeakPolarHBondContact O-CB 3.38Å; K11-K15 VanDerWaalsContact O-CG 3.26Å; K11-K15 WeakPolarHBondContact O-CG 3.48Å; K11-K15 PolarHBondContact O-N 3.1Å
12	L	50.8	Low	49	Very low	113 Å²	113	101.1 Å²	101.1	59%	0.592	50%	0.502	S	S	*	.	H	α-helix	trans	-67.4	-42.9	174.4	-78.1	165.5	0	0	0	111.8	E8 V9 E10 K15 F16	E8-L12 VanDerWaalsContact O-CB 3.3Å; E8-L12 WeakPolarHBondContact O-CB 3.48Å; E8-L12 WeakPolarHBondContact O-CD1 3.45Å; E8-L12 VanDerWaalsContact O-CG 3.23Å; E8-L12 WeakPolarHBondContact O-CG 3.3Å; E8-L12 PolarHBondContact O-N 3.17Å; V9-L12 PolarHBondContact O-N 3.38Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.5Å; L12-K15 PolarHBondContact O-N 3.21Å; L12-F16 VanDerWaalsContact O-CB 3.23Å; L12-F16 WeakPolarHBondContact O-CB 3.38Å; L12-F16 PolarHBondContact O-N 3Å
13	K	56.2	Low	48.9	Very low	130 Å²	130	98.3 Å²	98.3	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-61.2	-45	174.9	-78.3	173.9	179.4	177.7	0	111.4	V9 E10 F16 M17	V9-K13 HydrophobicContact CG1-CD 4.21Å; V9-K13 WeakPolarHBondContact O-CB 3.49Å; V9-K13 VanDerWaalsContact O-CG 3.26Å; V9-K13 WeakPolarHBondContact O-CG 2.93Å; V9-K13 PolarHBondContact O-N 3.35Å; E10-K13 PolarHBondContact O-N 3.23Å; K13-F16 PolarHBondContact O-N 3.27Å; K13-M17 VanDerWaalsContact O-CB 3.32Å; K13-M17 WeakPolarHBondContact O-CB 2.98Å; K13-M17 VanDerWaalsContact O-CG 3.23Å; K13-M17 WeakPolarHBondContact O-CG 3.35Å; K13-M17 PolarHBondContact O-N 3.21Å
14	T	56.7	Low	48.7	Very low	60 Å²	60	97.5 Å²	97.5	37%	0.368	48%	0.48	S	S	.	.	H	α-helix	trans	-63.9	-44.4	177.4	-62.9	0	0	0	0	111.5	E10 M17 S18 L98	E10-T14 WeakPolarHBondContact O-CB 3.45Å; E10-T14 PolarHBondContact O-N 2.77Å; E10-T14 PolarHBondContact O-OG1 3.43Å; T14-M17 PolarHBondContact O-N 3.34Å; T14-S18 WeakPolarHBondContact O-CB 3.46Å; T14-S18 PolarHBondContact O-N 3.38Å; T14-L98 HydrophobicContact CG2-CD2 3.36Å
15	K	55	Low	48.8	Very low	111 Å²	111	90.2 Å²	90.2	48%	0.483	45%	0.448	S	S	.	.	H	α-helix	trans	-61.9	-44.3	173.8	-77.1	-179.7	175.5	-166.4	0	111.8	K11 L12 S18 M19	K11-K15 WeakPolarHBondContact O-CB 3.38Å; K11-K15 VanDerWaalsContact O-CG 3.26Å; K11-K15 WeakPolarHBondContact O-CG 3.48Å; K11-K15 PolarHBondContact O-N 3.1Å; L12-K15 PolarHBondContact O-N 3.21Å; K15-S18 PolarHBondContact O-N 3.37Å; K15-M19 WeakPolarHBondContact O-CB 3.3Å; K15-M19 VanDerWaalsContact O-CG 3.22Å; K15-M19 WeakPolarHBondContact O-CG 3.32Å; K15-M19 PolarHBondContact O-N 3.03Å
16	F	51.5	Low	48.6	Very low	132 Å²	132	90.3 Å²	90.3	58%	0.579	44%	0.441	S	S	*	.	H	α-helix	trans	-65.5	-42.4	178	-176.7	-93.5	0	0	0	111.9	L12 K13 M19 W20	L12-F16 VanDerWaalsContact O-CB 3.23Å; L12-F16 WeakPolarHBondContact O-CB 3.38Å; L12-F16 PolarHBondContact O-N 3Å; K13-F16 PolarHBondContact O-N 3.27Å; F16-M19 PolarHBondContact O-N 3.39Å; F16-W20 VanDerWaalsContact O-CB 3.3Å; F16-W20 WeakPolarHBondContact O-CB 3.37Å; F16-W20 PolarHBondContact O-N 3.06Å
17	M	51	Low	48.1	Very low	93 Å²	93	96.9 Å²	96.9	46%	0.458	46%	0.456	S	S	.	.	H	α-helix	trans	-66.5	-38.5	175.9	-73.1	-62.3	-72.5	0	0	111.4	K13 T14 W20 H21	K13-M17 VanDerWaalsContact O-CB 3.32Å; K13-M17 WeakPolarHBondContact O-CB 2.98Å; K13-M17 VanDerWaalsContact O-CG 3.23Å; K13-M17 WeakPolarHBondContact O-CG 3.35Å; K13-M17 PolarHBondContact O-N 3.21Å; T14-M17 PolarHBondContact O-N 3.34Å; M17-W20 PolarHBondContact O-N 3.39Å; M17-H21 VanDerWaalsContact O-CB 3.28Å; M17-H21 WeakPolarHBondContact O-CB 3.31Å; M17-H21 PolarHBondContact O-CD2 2.78Å; M17-H21 VanDerWaalsContact O-CG 3.31Å; M17-H21 PolarHBondContact O-N 2.81Å
18	S	51.5	Low	47.7	Very low	22 Å²	22	95.9 Å²	95.9	15%	0.154	46%	0.462	C	S	.	.	H	α-helix	trans	-62	-47.6	171.2	-175.4	0	0	0	0	111	T14 K15 W20 H21 N22	T14-S18 WeakPolarHBondContact O-CB 3.46Å; T14-S18 PolarHBondContact O-N 3.38Å; K15-S18 PolarHBondContact O-N 3.37Å; S18-W20 VanDerWaalsContact C-N 3.34Å; S18-W20 PolarHBondContact O-N 3.03Å; S18-H21 PolarHBondContact O-N 3.43Å; S18-N22 WeakPolarHBondContact O-CB 3.5Å; S18-N22 PolarHBondContact O-N 2.62Å; S18-N22 PolarHBondContact O-OD1 2.63Å
19	M	48.2	Very low	47.6	Very low	115 Å²	115	92.3 Å²	92.3	57%	0.567	45%	0.447	S	S	*	.	H	α-helix	trans	-60	-41.4	175.1	-72.6	173.9	-178	0	0	112.5	K15 F16 N22 M23	K15-M19 WeakPolarHBondContact O-CB 3.3Å; K15-M19 VanDerWaalsContact O-CG 3.22Å; K15-M19 WeakPolarHBondContact O-CG 3.32Å; K15-M19 PolarHBondContact O-N 3.03Å; F16-M19 PolarHBondContact O-N 3.39Å; M19-N22 WeakPolarHBondContact O-CB 3.41Å; M19-N22 PolarHBondContact O-N 3.14Å; M19-M23 WeakPolarHBondContact O-CG 3.26Å; M19-M23 PolarHBondContact O-N 2.97Å
20	W	49.8	Very low	47.7	Very low	140 Å²	140	97.6 Å²	97.6	53%	0.53	46%	0.464	S	S	.	.	H	α-helix	trans	-66.1	-43.5	176.1	177.5	-98.8	0	0	0	111.7	F16 M17 S18 N22 M23 K24	F16-W20 VanDerWaalsContact O-CB 3.3Å; F16-W20 WeakPolarHBondContact O-CB 3.37Å; F16-W20 PolarHBondContact O-N 3.06Å; M17-W20 PolarHBondContact O-N 3.39Å; S18-W20 VanDerWaalsContact C-N 3.34Å; S18-W20 PolarHBondContact O-N 3.03Å; W20-N22 VanDerWaalsContact C-N 3.34Å; W20-M23 PolarHBondContact O-N 3.27Å; W20-K24 WeakPolarHBondContact O-CB 3.39Å; W20-K24 PolarHBondContact O-N 3.39Å
21	H	47.7	Very low	47.7	Very low	21 Å²	21	97.4 Å²	97.4	10%	0.097	48%	0.476	C	S	.	.	H	α-helix	trans	-62.5	-42.8	173.7	-78.4	-51.5	0	0	0	110.9	M17 S18 M23 K24 Y25	M17-H21 VanDerWaalsContact O-CB 3.28Å; M17-H21 WeakPolarHBondContact O-CB 3.31Å; M17-H21 PolarHBondContact O-CD2 2.78Å; M17-H21 VanDerWaalsContact O-CG 3.31Å; M17-H21 PolarHBondContact O-N 2.81Å; S18-H21 PolarHBondContact O-N 3.43Å; H21-M23 VanDerWaalsContact C-N 3.34Å; H21-M23 PolarHBondContact O-N 2.72Å; H21-K24 PolarHBondContact O-N 3.44Å; H21-Y25 HydrophobicContact CB-CD2 4.12Å; H21-Y25 HydrophobicContact CB-CE2 3.88Å; H21-Y25 AromaticContact ND1-CE2 3.67Å; H21-Y25 WeakPolarHBondContact O-CD2 3.27Å; H21-Y25 PolarHBondContact O-N 3.02Å
22	N	46.1	Very low	48.4	Very low	28 Å²	28	101 Å²	101	15%	0.15	49%	0.491	C	S	.	.	H	α-helix	trans	-56.4	-47.4	173.4	-71.9	-4.6	0	0	0	111.1	S18 M19 W20 S26 E88 C369	S18-N22 WeakPolarHBondContact O-CB 3.5Å; S18-N22 PolarHBondContact O-N 2.62Å; S18-N22 PolarHBondContact O-OD1 2.63Å; M19-N22 WeakPolarHBondContact O-CB 3.41Å; M19-N22 PolarHBondContact O-N 3.14Å; W20-N22 VanDerWaalsContact C-N 3.34Å; N22-S26 WeakPolarHBondContact O-CB 3.16Å; N22-S26 PolarHBondContact O-N 2.59Å; N22-S26 PolarHBondContact O-OG 3.08Å; N22-E88 PolarHBondContact ND2-OE2 2.77Å; N22-C369 VanDerWaalsContact CG-SG 3.56Å; N22-C369 WeakPolarHBondContact OD1-CB 3.31Å; N22-C369 PolarHBondContact OD1-SG 2.68Å
23	M	40.2	Very low	49.9	Very low	126 Å²	126	98 Å²	98	62%	0.621	48%	0.478	S	S	*	.	H	α-helix	trans	-64.6	-45.4	176.8	-71.3	179.8	70.2	0	0	112.5	M19 W20 H21 Y25 S26 W27	M19-M23 WeakPolarHBondContact O-CG 3.26Å; M19-M23 PolarHBondContact O-N 2.97Å; W20-M23 PolarHBondContact O-N 3.27Å; H21-M23 VanDerWaalsContact C-N 3.34Å; H21-M23 PolarHBondContact O-N 2.72Å; M23-Y25 PolarHBondContact O-N 2.69Å; M23-S26 PolarHBondContact O-N 3.42Å; M23-W27 PolarHBondContact O-N 3.12Å; M23-W27 VanDerWaalsContact O-N 3.09Å
24	K	42.9	Very low	51.3	Low	115 Å²	115	95.5 Å²	95.5	50%	0.5	48%	0.482	S	S	.	.	H	α-helix	trans	-61.7	-45.4	-179.1	-178.7	179.1	176	-179.2	0	112.1	W20 H21	W20-K24 WeakPolarHBondContact O-CB 3.39Å; W20-K24 PolarHBondContact O-N 3.39Å; H21-K24 PolarHBondContact O-N 3.44Å
25	Y	46.2	Very low	52.9	Low	28 Å²	28	95 Å²	95	11%	0.11	48%	0.475	C	S	.	.	H	α-helix	trans	-80.6	-25.3	-179.5	-60.5	-62.3	0	0	0	112.6	H21 M23 Y86 H367	H21-Y25 HydrophobicContact CB-CD2 4.12Å; H21-Y25 HydrophobicContact CB-CE2 3.88Å; H21-Y25 AromaticContact ND1-CE2 3.67Å; H21-Y25 WeakPolarHBondContact O-CD2 3.27Å; H21-Y25 PolarHBondContact O-N 3.02Å; M23-Y25 PolarHBondContact O-N 2.69Å; Y25-Y86 HydrophobicContact CD2-CE2 4.34Å; Y25-Y86 HydrophobicContact CE2-CE2 4.35Å; Y25-H367 WeakPolarHBondContact CB-O 3.38Å; Y25-H367 HydrophobicContact CD1-CB 4.22Å; Y25-H367 HydrophobicContact CG-CB 4.34Å
26	S	37.3	Very low	54.4	Low	51 Å²	51	91.2 Å²	91.2	36%	0.357	46%	0.462	S	S	.	.	H	α-helix	trans	-70.8	-30.4	172.9	-61.7	0	0	0	0	113.2	N22 M23	N22-S26 WeakPolarHBondContact O-CB 3.16Å; N22-S26 PolarHBondContact O-N 2.59Å; N22-S26 PolarHBondContact O-OG 3.08Å; M23-S26 PolarHBondContact O-N 3.42Å
27	W	34.2	Very low	56.1	Low	204 Å²	204	94.5 Å²	94.5	77%	0.773	47%	0.47	S	S	*	.	H	α-helix	trans	-77.6	-18.8	179.8	-164.9	-65.4	0	0	0	113.3	M23 L29	M23-W27 PolarHBondContact O-N 3.12Å; M23-W27 VanDerWaalsContact O-N 3.09Å; W27-L29 PolarHBondContact O-N 3.36Å
28	A	39.7	Very low	57.6	Low	82 Å²	82	93.9 Å²	93.9	68%	0.678	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	4.7	-174.8	0	0	0	0	0	115.3	K30	A28-K30 PolarHBondContact O-N 3.04Å
29	L	47.4	Very low	59.4	Low	58 Å²	58	93.7 Å²	93.7	30%	0.304	47%	0.474	S	S	.	.			trans	-92.1	87.5	176.8	-86	114.1	0	0	0	111.9	W27 V141 Y368	W27-L29 PolarHBondContact O-N 3.36Å; L29-V141 HydrophobicContact CB-CG2 4.27Å; L29-Y368 HydrophobicContact CD1-CE1 3.78Å; L29-Y368 HydrophobicContact CD2-CE1 4.47Å
30	K	47.8	Very low	61.6	Low	181 Å²	181	88.9 Å²	88.9	79%	0.787	45%	0.451	S	S	*	.			trans	-129.5	97.8	161.9	-73.9	-171.8	178.2	-175.2	0	109.3	A28	A28-K30 PolarHBondContact O-N 3.04Å
31	S	49.1	Very low	63.7	Low	112 Å²	112	82.2 Å²	82.2	78%	0.783	43%	0.426	S	S	*	.			trans	135	129.5	155.2	-167.6	0	0	0	0	111.6	T33	S31-T33 PolarHBondContact O-N 2.83Å
32	K	66.8	Low	66.1	Low	199 Å²	199	81.8 Å²	81.8	87%	0.865	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-57.6	133.2	163.6	-72.1	-179.6	177.3	178.2	0	107.9	A34	K32-A34 PolarHBondContact O-N 3.43Å
33	T	83	Confident	68.6	Low	49 Å²	49	80.4 Å²	80.4	30%	0.301	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65.6	117.5	177.3	-55.3	0	0	0	0	109.3	S31 F35 P390 K392	S31-T33 PolarHBondContact O-N 2.83Å; T33-F35 HydrophobicContact CG2-CD2 4.28Å; T33-F35 HydrophobicContact CG2-CE2 3.6Å; T33-F35 HydrophobicContact CG2-CZ 3.96Å; T33-F35 WeakPolarHBondContact O-CD2 3.42Å; T33-P390 WeakPolarHBondContact CB-O 3.48Å; T33-P390 PolarHBondContact OG1-O 2.93Å; T33-K392 HydrophobicContact CG2-CB 3.78Å; T33-K392 HydrophobicContact CG2-CD 4.23Å; T33-K392 HydrophobicContact CG2-CG 3.63Å
34	A	86.1	Confident	71.3	Confident	79 Å²	79	74.5 Å²	74.5	65%	0.653	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-84	133.8	179.1	0	0	0	0	0	110.6	K32 K392	K32-A34 PolarHBondContact O-N 3.43Å; A34-K392 WeakPolarHBondContact O-CE 3.45Å; A34-K392 PolarHBondContact O-NZ 3.42Å
35	F	89.3	Confident	73.8	Confident	50 Å²	50	69.9 Å²	69.9	22%	0.219	37%	0.372	C	S	.	.			trans	-114.5	143.3	174.5	-70.8	-98.3	0	0	0	110.5	T33 V41 F50 F74 Q357 I362 P390 K392	T33-F35 HydrophobicContact CG2-CD2 4.28Å; T33-F35 HydrophobicContact CG2-CE2 3.6Å; T33-F35 HydrophobicContact CG2-CZ 3.96Å; T33-F35 WeakPolarHBondContact O-CD2 3.42Å; F35-V41 HydrophobicContact CD1-CG2 4.05Å; F35-V41 HydrophobicContact CE1-CG1 4.38Å; F35-F50 HydrophobicContact CB-CD2 3.91Å; F35-F50 HydrophobicContact CB-CE2 3.57Å; F35-F50 AromaticContact CD1-CE2 3.91Å; F35-F50 HydrophobicContact CD1-CE2 3.91Å; F35-F50 AromaticContact CG-CE2 3.82Å; F35-F50 HydrophobicContact CG-CE2 3.82Å; F35-F74 HydrophobicContact CE1-CE1 4.03Å; F35-F74 AromaticContact CE1-CZ 3.88Å; F35-F74 HydrophobicContact CE1-CZ 3.88Å; F35-F74 HydrophobicContact CE2-CE1 4.44Å; F35-F74 AromaticContact CZ-CE1 3.93Å; F35-F74 HydrophobicContact CZ-CE1 3.93Å; F35-F74 AromaticContact CZ-CZ 3.95Å; F35-F74 HydrophobicContact CZ-CZ 3.95Å; F35-Q357 VanDerWaalsContact CA-OE1 3.28Å; F35-I362 HydrophobicContact CE1-CD1 3.82Å; F35-I362 HydrophobicContact CE1-CG1 4.17Å; F35-P390 HydrophobicContact CE2-CG 3.83Å; F35-P390 HydrophobicContact CZ-CB 4.01Å; F35-P390 HydrophobicContact CZ-CG 3.71Å; F35-K392 HydrophobicContact CD1-CD 4.26Å; F35-K392 HydrophobicContact CE1-CD 3.92Å; F35-K392 HydrophobicContact CE1-CG 4.33Å; F35-K392 HydrophobicContact CZ-CD 4.29Å; F35-K392 HydrophobicContact CZ-CG 4.28Å
36	S	87.1	Confident	76.1	Confident	31 Å²	31	69.5 Å²	69.5	22%	0.217	37%	0.371	C	S	.	.			trans	-66.4	143.1	170.5	177.2	0	0	0	0	109.8	S38 S39 Q357	S36-S38 PolarHBondContact OG-N 3.2Å; S36-S38 PolarHBondContact OG-OG 3.01Å; S36-S39 PolarHBondContact OG-N 2.9Å; S36-S39 PolarHBondContact OG-OG 2.93Å; S36-Q357 PolarHBondContact O-NE2 3.22Å
37	R	85.9	Confident	78.8	Confident	201 Å²	201	67.1 Å²	67.1	76%	0.758	36%	0.355	S	S	*	.	S	Bend	trans	-88.6	-19.8	171.4	-71	-175.7	177.3	143.9	-3.1	112.9	H49	R37-H49 PolarHBondContact O-CE1 2.66Å; R37-H49 VanDerWaalsContact O-CE1 3.23Å
38	S	83.8	Confident	81.6	Confident	80 Å²	80	57.7 Å²	57.7	56%	0.559	32%	0.319	S	S	*	.	S	Bend	trans	-94.1	-21.9	-175.8	58.5	0	0	0	0	113.4	S36 H49	S36-S38 PolarHBondContact OG-N 3.2Å; S36-S38 PolarHBondContact OG-OG 3.01Å; S38-H49 PolarHBondContact O-NE2 3.25Å
39	S	89.9	Confident	84	Confident	18 Å²	18	54.6 Å²	54.6	13%	0.126	29%	0.29	C	S	.	.	S	Bend	trans	-105.3	138.8	-174.5	-51.8	0	0	0	0	111.4	S36 Q357 D358	S36-S39 PolarHBondContact OG-N 2.9Å; S36-S39 PolarHBondContact OG-OG 2.93Å; S39-Q357 PolarHBondContact O-NE2 3.24Å; S39-Q357 VanDerWaalsContact O-NE2 3.1Å; S39-D358 WeakPolarHBondContact CB-OD1 3.43Å; S39-D358 PolarHBondContact OG-OD1 2.97Å; S39-D358 PolarHBondContact OG-OD2 2.98Å
40	P	93.1	Very high	85.8	Confident	14 Å²	14	52.9 Å²	52.9	9%	0.091	28%	0.281	C	S	.	.			trans	-63.7	150.8	176.7	28.3	-36	0	0	0	111.7	F42 Y48 F62	P40-F42 HydrophobicContact CB-CE2 3.92Å; P40-F42 HydrophobicContact CG-CE2 3.88Å; P40-Y48 CarbonylContact C-O 3.54Å; P40-Y48 VanDerWaalsContact CA-O 3.3Å; P40-Y48 WeakPolarHBondContact CA-O 3.33Å; P40-F62 HydrophobicContact CG-CD1 3.76Å; P40-F62 HydrophobicContact CG-CE1 3.86Å; P40-F62 HydrophobicContact CG-CG 4.41Å
41	V	95.3	Very high	87.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.9	176.1	-179.4	0	0	0	0	108.5	F35 C47 Y48 F50 F74 Q357 I362	F35-V41 HydrophobicContact CD1-CG2 4.05Å; F35-V41 HydrophobicContact CE1-CG1 4.38Å; V41-C47 CarbonylContact O-C 3.5Å; V41-Y48 PolarHBondContact N-O 3.46Å; V41-Y48 PolarHBondContact O-N 2.89Å; V41-F50 HydrophobicContact CB-CE1 4.38Å; V41-F50 HydrophobicContact CB-CZ 4Å; V41-F50 HydrophobicContact CG1-CZ 4.33Å; V41-F50 HydrophobicContact CG2-CD2 4.28Å; V41-F50 HydrophobicContact CG2-CE1 4.12Å; V41-F50 HydrophobicContact CG2-CE2 3.63Å; V41-F50 HydrophobicContact CG2-CZ 3.51Å; V41-F74 HydrophobicContact CG1-CD2 3.75Å; V41-F74 HydrophobicContact CG1-CE2 3.43Å; V41-F74 VanDerWaalsContact CG1-CE2 3.43Å; V41-F74 HydrophobicContact CG1-CG 4.48Å; V41-F74 HydrophobicContact CG1-CZ 3.92Å; V41-Q357 HydrophobicContact CG2-CB 4.1Å; V41-Q357 HydrophobicContact CG2-CG 3.95Å; V41-I362 HydrophobicContact CG1-CD1 3.48Å; V41-I362 VanDerWaalsContact CG1-CD1 3.48Å
42	F	97.2	Very high	87.6	Confident	11 Å²	11	48.3 Å²	48.3	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.6	176.8	-70.3	-97.5	0	0	0	110.3	P40 K46 C47 F65 G355 F356	P40-F42 HydrophobicContact CB-CE2 3.92Å; P40-F42 HydrophobicContact CG-CE2 3.88Å; F42-K46 CarbonylContact C-O 3.54Å; F42-K46 VanDerWaalsContact CA-O 3.26Å; F42-K46 WeakPolarHBondContact CA-O 3.46Å; F42-C47 HydrophobicContact CD1-CB 4.08Å; F42-C47 HydrophobicContact CE1-CB 3.75Å; F42-C47 HydrophobicContact CZ-CB 4.19Å; F42-F65 HydrophobicContact CE1-CB 4.15Å; F42-F65 AromaticContact CE1-CD1 3.96Å; F42-F65 HydrophobicContact CE1-CD1 3.96Å; F42-F65 AromaticContact CE1-CD2 3.88Å; F42-F65 HydrophobicContact CE1-CD2 3.88Å; F42-F65 HydrophobicContact CE1-CE1 4.32Å; F42-F65 HydrophobicContact CE1-CE2 4.24Å; F42-F65 AromaticContact CE1-CG 3.72Å; F42-F65 HydrophobicContact CE1-CG 3.72Å; F42-F65 HydrophobicContact CE1-CZ 4.45Å; F42-F65 HydrophobicContact CZ-CB 4.31Å; F42-F65 AromaticContact CZ-CD2 3.78Å; F42-F65 HydrophobicContact CZ-CD2 3.78Å; F42-F65 HydrophobicContact CZ-CE2 4.25Å; F42-F65 HydrophobicContact CZ-CG 4.01Å; F42-G355 CarbonylContact O-C 3.58Å; F42-G355 WeakPolarHBondContact O-CA 3.18Å; F42-F356 HydrophobicContact CB-CD1 3.78Å; F42-F356 HydrophobicContact CB-CE1 3.42Å; F42-F356 VanDerWaalsContact CB-CE1 3.42Å; F42-F356 HydrophobicContact CB-CE2 4.47Å; F42-F356 HydrophobicContact CB-CG 4.43Å; F42-F356 HydrophobicContact CB-CZ 3.81Å; F42-F356 HydrophobicContact CD1-CE1 4.35Å; F42-F356 HydrophobicContact CD1-CZ 4.25Å; F42-F356 HydrophobicContact CD2-CD2 4.36Å; F42-F356 AromaticContact CD2-CE1 3.88Å; F42-F356 HydrophobicContact CD2-CE1 3.88Å; F42-F356 AromaticContact CD2-CE2 3.58Å; F42-F356 HydrophobicContact CD2-CE2 3.58Å; F42-F356 AromaticContact CD2-CZ 3.28Å; F42-F356 HydrophobicContact CD2-CZ 3.28Å; F42-F356 HydrophobicContact CE2-CE2 4.1Å; F42-F356 AromaticContact CE2-CZ 3.85Å; F42-F356 HydrophobicContact CE2-CZ 3.85Å; F42-F356 HydrophobicContact CG-CD1 4.41Å; F42-F356 AromaticContact CG-CE1 3.63Å; F42-F356 HydrophobicContact CG-CE1 3.63Å; F42-F356 HydrophobicContact CG-CE2 4.22Å; F42-F356 AromaticContact CG-CZ 3.51Å; F42-F356 HydrophobicContact CG-CZ 3.51Å; F42-F356 PolarHBondContact N-O 3.39Å; F42-F356 PolarHBondContact O-N 3.41Å
43	L	97.9	Very high	87.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	107.2	176.8	178.3	67.3	0	0	0	108.7	G45 K46 Y48 F74 D77 F78 R126 V354	L43-G45 PolarHBondContact O-N 3.15Å; L43-K46 PolarHBondContact N-O 3.34Å; L43-K46 WeakPolarHBondContact O-CB 3.46Å; L43-K46 PolarHBondContact O-N 2.64Å; L43-Y48 HydrophobicContact CB-CD2 4.48Å; L43-Y48 HydrophobicContact CB-CE2 4.05Å; L43-Y48 HydrophobicContact CD2-CE2 4.45Å; L43-F74 HydrophobicContact CB-CD2 4.47Å; L43-F74 HydrophobicContact CB-CE2 4.29Å; L43-F74 HydrophobicContact CD2-CD2 4.17Å; L43-F74 HydrophobicContact CD2-CE2 4.12Å; L43-D77 HydrophobicContact CD2-CB 4.03Å; L43-D77 WeakPolarHBondContact CD2-OD2 3.26Å; L43-F78 HydrophobicContact CD1-CD2 4.04Å; L43-F78 HydrophobicContact CD2-CB 3.98Å; L43-F78 HydrophobicContact CD2-CD2 4.5Å; L43-R126 PolarHBondContact O-NH2 2.68Å; L43-V354 CarbonylContact C-O 3.54Å; L43-V354 WeakPolarHBondContact CA-O 3.17Å; L43-V354 HydrophobicContact CD1-CB 3.75Å; L43-V354 HydrophobicContact CD1-CG2 3.48Å; L43-V354 VanDerWaalsContact CD1-CG2 3.48Å
44	L	97.3	Very high	85.6	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	60.5	175.5	-59.5	171	0	0	0	112.2	K46 R81 Q117 R126 V354	L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 3.39Å; L44-R81 HydrophobicContact CD1-CG 4.42Å; L44-Q117 HydrophobicContact CD1-CG 3.85Å; L44-R126 PolarHBondContact O-NE 3.43Å; L44-R126 PolarHBondContact O-NH2 3.22Å; L44-V354 HydrophobicContact CD1-CB 4.26Å; L44-V354 HydrophobicContact CD1-CG1 4.33Å; L44-V354 HydrophobicContact CD2-CB 4.11Å; L44-V354 HydrophobicContact CD2-CG1 4.36Å; L44-V354 HydrophobicContact CG-CB 4.01Å; L44-V354 HydrophobicContact CG-CG1 4.47Å; L44-V354 WeakPolarHBondContact CG-O 3.23Å; L44-V354 PolarHBondContact N-O 3.22Å
45	G	94.9	Very high	84	Confident	18 Å²	18	52 Å²	52	19%	0.186	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-13.4	179.5	0	0	0	0	0	116.7	L43 L334 L336	L43-G45 PolarHBondContact O-N 3.15Å; G45-L334 PolarHBondContact N-O 3.47Å; G45-L336 VanDerWaalsContact CA-O 3.26Å; G45-L336 WeakPolarHBondContact CA-O 3.28Å
46	K	95.6	Very high	82.2	Confident	20 Å²	20	57.6 Å²	57.6	9%	0.087	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.4	177.2	-64.4	-160.7	164.3	-179.4	0	112.3	F42 L43 L44 Y48 M68 D127	F42-K46 CarbonylContact C-O 3.54Å; F42-K46 VanDerWaalsContact CA-O 3.26Å; F42-K46 WeakPolarHBondContact CA-O 3.46Å; L43-K46 PolarHBondContact N-O 3.34Å; L43-K46 WeakPolarHBondContact O-CB 3.46Å; L43-K46 PolarHBondContact O-N 2.64Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 3.39Å; K46-Y48 HydrophobicContact CB-CD2 4.48Å; K46-Y48 HydrophobicContact CB-CE2 3.65Å; K46-Y48 VanDerWaalsContact CD-OH 3.31Å; K46-Y48 WeakPolarHBondContact CD-OH 3.47Å; K46-M68 HydrophobicContact CB-SD 3.58Å; K46-M68 VanDerWaalsContact CB-SD 3.58Å; K46-M68 HydrophobicContact CD-CE 3.99Å; K46-M68 HydrophobicContact CD-SD 3.73Å; K46-M68 HydrophobicContact CG-CE 4.15Å; K46-M68 HydrophobicContact CG-SD 3.37Å; K46-M68 WeakPolarHBondContact CG-SD 3.41Å; K46-D127 WeakPolarHBondContact CE-OD1 3.33Å; K46-D127 IonicContact NZ-OD1 2.63Å; K46-D127 PolarHBondContact NZ-OD1 3.39Å
47	C	94.6	Very high	80.4	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.014	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.5	176.6	-176.8	0	0	0	0	110.8	V41 F42 F65 M68	V41-C47 CarbonylContact O-C 3.5Å; F42-C47 HydrophobicContact CD1-CB 4.08Å; F42-C47 HydrophobicContact CE1-CB 3.75Å; F42-C47 HydrophobicContact CZ-CB 4.19Å; C47-F65 HydrophobicContact CB-CB 4.29Å; C47-M68 WeakPolarHBondContact O-CA 3.19Å; C47-M68 WeakPolarHBondContact O-CB 3.25Å; C47-M68 PolarHBondContact O-N 3.14Å
48	Y	92.9	Very high	78.6	Confident	6 Å²	6	59.3 Å²	59.3	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.6	179	-61.1	-87	0	0	0	110.6	P40 V41 L43 K46 G69 A73 F74 D77	P40-Y48 CarbonylContact C-O 3.54Å; P40-Y48 VanDerWaalsContact CA-O 3.3Å; P40-Y48 WeakPolarHBondContact CA-O 3.33Å; V41-Y48 PolarHBondContact N-O 3.46Å; V41-Y48 PolarHBondContact O-N 2.89Å; L43-Y48 HydrophobicContact CB-CD2 4.48Å; L43-Y48 HydrophobicContact CB-CE2 4.05Å; L43-Y48 HydrophobicContact CD2-CE2 4.45Å; K46-Y48 HydrophobicContact CB-CD2 4.48Å; K46-Y48 HydrophobicContact CB-CE2 3.65Å; K46-Y48 VanDerWaalsContact CD-OH 3.31Å; K46-Y48 WeakPolarHBondContact CD-OH 3.47Å; Y48-G69 WeakPolarHBondContact CA-O 3.34Å; Y48-A73 HydrophobicContact CD1-CB 4.18Å; Y48-A73 HydrophobicContact CE1-CB 3.9Å; Y48-F74 HydrophobicContact CD1-CB 3.9Å; Y48-F74 HydrophobicContact CD2-CB 4.16Å; Y48-F74 AromaticContact CD2-CD2 3.91Å; Y48-F74 HydrophobicContact CD2-CD2 3.91Å; Y48-F74 HydrophobicContact CE1-CB 4.38Å; Y48-F74 HydrophobicContact CE2-CD2 4.29Å; Y48-F74 HydrophobicContact CG-CB 3.79Å; Y48-F74 HydrophobicContact CG-CD2 4.34Å; Y48-D77 VanDerWaalsContact OH-CB 3.27Å; Y48-D77 WeakPolarHBondContact OH-CB 3.06Å; Y48-D77 VanDerWaalsContact OH-CG 3.23Å; Y48-D77 PolarHBondContact OH-OD2 2.97Å
49	H	88.9	Confident	77.2	Confident	16 Å²	16	60 Å²	60	7%	0.074	33%	0.328	C	S	.	.			trans	-130.8	132.6	176	-158.8	-53.8	0	0	0	111	R37 S38 K51 I67 G69 N70	R37-H49 PolarHBondContact O-CE1 2.66Å; R37-H49 VanDerWaalsContact O-CE1 3.23Å; S38-H49 PolarHBondContact O-NE2 3.25Å; H49-K51 WeakPolarHBondContact CE1-CD 3.27Å; H49-K51 VanDerWaalsContact CE1-CE 3.48Å; H49-K51 WeakPolarHBondContact CE1-CE 3.23Å; H49-K51 WeakPolarHBondContact CE1-CG 3.22Å; H49-K51 PolarHBondContact ND1-N 3.05Å; H49-K51 PolarHBondContact O-N 3.32Å; H49-I67 HydrophobicContact CB-CD1 4.11Å; H49-I67 HydrophobicContact CB-CG2 3.83Å; H49-G69 PolarHBondContact N-O 3.01Å; H49-N70 WeakPolarHBondContact O-CA 3.42Å
50	F	86.3	Confident	75.4	Confident	22 Å²	22	64.9 Å²	64.9	10%	0.096	35%	0.349	C	S	.	.			trans	-100.4	31.9	-174.9	-55.9	-14.4	0	0	0	113.2	F35 V41 V71 F74	F35-F50 HydrophobicContact CB-CD2 3.91Å; F35-F50 HydrophobicContact CB-CE2 3.57Å; F35-F50 AromaticContact CD1-CE2 3.91Å; F35-F50 HydrophobicContact CD1-CE2 3.91Å; F35-F50 AromaticContact CG-CE2 3.82Å; F35-F50 HydrophobicContact CG-CE2 3.82Å; V41-F50 HydrophobicContact CB-CE1 4.38Å; V41-F50 HydrophobicContact CB-CZ 4Å; V41-F50 HydrophobicContact CG1-CZ 4.33Å; V41-F50 HydrophobicContact CG2-CD2 4.28Å; V41-F50 HydrophobicContact CG2-CE1 4.12Å; V41-F50 HydrophobicContact CG2-CE2 3.63Å; V41-F50 HydrophobicContact CG2-CZ 3.51Å; F50-V71 HydrophobicContact CB-CB 4.39Å; F50-V71 VanDerWaalsContact CD1-CA 3.48Å; F50-V71 HydrophobicContact CD1-CB 3.69Å; F50-V71 HydrophobicContact CD1-CG2 4.13Å; F50-V71 HydrophobicContact CD2-CG2 4.2Å; F50-V71 HydrophobicContact CE1-CB 4.1Å; F50-V71 HydrophobicContact CE1-CG2 4.23Å; F50-V71 HydrophobicContact CE2-CG2 4.25Å; F50-V71 HydrophobicContact CG-CB 3.95Å; F50-V71 HydrophobicContact CG-CG2 4.14Å; F50-V71 HydrophobicContact CZ-CG2 4.28Å; F50-F74 HydrophobicContact CE1-CB 3.68Å; F50-F74 HydrophobicContact CE1-CD1 4.12Å; F50-F74 AromaticContact CE1-CG 3.96Å; F50-F74 HydrophobicContact CE1-CG 3.96Å; F50-F74 HydrophobicContact CE2-CD1 4.41Å; F50-F74 HydrophobicContact CZ-CB 3.93Å; F50-F74 AromaticContact CZ-CD1 3.47Å; F50-F74 HydrophobicContact CZ-CD1 3.47Å; F50-F74 VanDerWaalsContact CZ-CD1 3.47Å; F50-F74 HydrophobicContact CZ-CD2 4.43Å; F50-F74 HydrophobicContact CZ-CE1 4.06Å; F50-F74 AromaticContact CZ-CG 3.67Å; F50-F74 HydrophobicContact CZ-CG 3.67Å
51	K	77.5	Confident	73.6	Confident	131 Å²	131	69.8 Å²	69.8	57%	0.57	37%	0.374	S	S	*	.			trans	-76.4	153.5	170.4	-91.4	168.8	-173.7	-177.7	0	108.5	H49	H49-K51 WeakPolarHBondContact CE1-CD 3.27Å; H49-K51 VanDerWaalsContact CE1-CE 3.48Å; H49-K51 WeakPolarHBondContact CE1-CE 3.23Å; H49-K51 WeakPolarHBondContact CE1-CG 3.22Å; H49-K51 PolarHBondContact ND1-N 3.05Å; H49-K51 PolarHBondContact O-N 3.32Å
52	A	56.8	Low	71.5	Confident	66 Å²	66	73.6 Å²	73.6	55%	0.545	39%	0.391	S	S	.	.			trans	-71	143.1	179.3	0	0	0	0	0	110.1	D54	A52-D54 PolarHBondContact O-N 3.04Å
53	D	56.8	Low	69.5	Low	132 Å²	132	80.8 Å²	80.8	71%	0.706	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	3.1	179.3	-64.1	-39.1	0	0	0	113.4
54	D	51.3	Low	67.7	Low	150 Å²	150	84 Å²	84	80%	0.802	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.9	-178.7	-70.2	-31.5	0	0	0	113.7	A52 D56	A52-D54 PolarHBondContact O-N 3.04Å; D54-D56 PolarHBondContact O-N 3.49Å
55	D	52.6	Low	66.1	Low	123 Å²	123	87.5 Å²	87.5	66%	0.658	47%	0.473	S	S	*	.	S	Bend	trans	-96	92.6	175.2	-70.4	-33.8	0	0	0	109.1	Y57	D55-Y57 VanDerWaalsContact C-N 3.34Å; D55-Y57 PolarHBondContact O-N 3.33Å
56	D	50.2	Low	65.1	Low	168 Å²	168	90 Å²	90	90%	0.898	49%	0.488	S	S	*	.			trans	-58.3	87.7	176.2	-149.2	11.5	0	0	0	110.1	D54	D54-D56 PolarHBondContact O-N 3.49Å
57	Y	48.9	Very low	64.2	Low	169 Å²	169	91.6 Å²	91.6	66%	0.663	50%	0.497	S	S	*	.			trans	-131.5	138.9	174.8	-96	-96.6	0	0	0	110.5	D55 E60	D55-Y57 VanDerWaalsContact C-N 3.34Å; D55-Y57 PolarHBondContact O-N 3.33Å; Y57-E60 HydrophobicContact CD1-CG 4.5Å; Y57-E60 WeakPolarHBondContact CD1-OE1 3.13Å
58	P	49.4	Very low	63.4	Low	99 Å²	99	96.1 Å²	96.1	64%	0.643	52%	0.519	S	S	*	.			trans	-60.3	154.2	173.7	28.3	-32.8	0	0	0	109.3	E60	P58-E60 VanDerWaalsContact C-N 3.3Å; P58-E60 VanDerWaalsContact O-CG 3.32Å; P58-E60 WeakPolarHBondContact O-CG 3.17Å; P58-E60 PolarHBondContact O-N 2.91Å
59	S	54.2	Low	62.8	Low	94 Å²	94	96.9 Å²	96.9	66%	0.657	53%	0.528	S	S	*	.			trans	-38.7	86.8	169.8	51.7	0	0	0	0	112.6	D61	S59-D61 PolarHBondContact O-N 3.18Å
60	E	52.5	Low	62.6	Low	120 Å²	120	98.4 Å²	98.4	56%	0.561	54%	0.537	S	S	*	.			trans	-81.2	117.6	179.6	-68.4	-158.5	158.5	0	0	108.3	Y57 P58 F62 I67	Y57-E60 HydrophobicContact CD1-CG 4.5Å; Y57-E60 WeakPolarHBondContact CD1-OE1 3.13Å; P58-E60 VanDerWaalsContact C-N 3.3Å; P58-E60 VanDerWaalsContact O-CG 3.32Å; P58-E60 WeakPolarHBondContact O-CG 3.17Å; P58-E60 PolarHBondContact O-N 2.91Å; E60-F62 PolarHBondContact O-N 3.28Å; E60-F62 VanDerWaalsContact O-N 3.09Å; E60-I67 WeakPolarHBondContact O-CD1 3.48Å
61	D	54.8	Low	62.7	Low	117 Å²	117	100.7 Å²	100.7	63%	0.626	55%	0.553	S	S	*	*			trans	-56.2	111.1	172.8	-71.7	-36.6	0	0	0	109.8	S59 Q63	S59-D61 PolarHBondContact O-N 3.18Å; D61-Q63 PolarHBondContact O-N 2.82Å
62	F	50.8	Low	63.3	Low	80 Å²	80	100 Å²	100	35%	0.351	55%	0.552	S	S	.	*	B	Isolated β-bridge	trans	-88	106	172.6	-162.2	-88.7	0	0	0	108.9	P40 E60 G64 F65	P40-F62 HydrophobicContact CG-CD1 3.76Å; P40-F62 HydrophobicContact CG-CE1 3.86Å; P40-F62 HydrophobicContact CG-CG 4.41Å; E60-F62 PolarHBondContact O-N 3.28Å; E60-F62 VanDerWaalsContact O-N 3.09Å; F62-G64 PolarHBondContact O-N 3.47Å; F62-F65 PolarHBondContact N-O 3.48Å; F62-F65 PolarHBondContact O-N 3.24Å; F62-F65 VanDerWaalsContact O-N 3.1Å
63	Q	55.3	Low	65	Low	163 Å²	163	98.5 Å²	98.5	76%	0.762	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	35.4	179	-63.2	178.2	-11.8	0	0	113.6	D61	D61-Q63 PolarHBondContact O-N 2.82Å
64	G	60.5	Low	66.8	Low	67 Å²	67	92.4 Å²	92.4	69%	0.691	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	7.5	178.9	0	0	0	0	0	115.5	F62	F62-G64 PolarHBondContact O-N 3.47Å
65	F	63.9	Low	68.8	Low	74 Å²	74	92.1 Å²	92.1	33%	0.325	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-107.5	130.7	172.5	-62.4	-80.2	0	0	0	111.3	F42 C47 F62	F42-F65 HydrophobicContact CE1-CB 4.15Å; F42-F65 AromaticContact CE1-CD1 3.96Å; F42-F65 HydrophobicContact CE1-CD1 3.96Å; F42-F65 AromaticContact CE1-CD2 3.88Å; F42-F65 HydrophobicContact CE1-CD2 3.88Å; F42-F65 HydrophobicContact CE1-CE1 4.32Å; F42-F65 HydrophobicContact CE1-CE2 4.24Å; F42-F65 AromaticContact CE1-CG 3.72Å; F42-F65 HydrophobicContact CE1-CG 3.72Å; F42-F65 HydrophobicContact CE1-CZ 4.45Å; F42-F65 HydrophobicContact CZ-CB 4.31Å; F42-F65 AromaticContact CZ-CD2 3.78Å; F42-F65 HydrophobicContact CZ-CD2 3.78Å; F42-F65 HydrophobicContact CZ-CE2 4.25Å; F42-F65 HydrophobicContact CZ-CG 4.01Å; C47-F65 HydrophobicContact CB-CB 4.29Å; F62-F65 PolarHBondContact N-O 3.48Å; F62-F65 PolarHBondContact O-N 3.24Å; F62-F65 VanDerWaalsContact O-N 3.1Å
66	S	72.6	Confident	70.9	Confident	70 Å²	70	90.3 Å²	90.3	49%	0.49	48%	0.48	S	S	.	.			trans	-73.3	130.5	173.8	-167.1	0	0	0	0	110.6	M68	S66-M68 PolarHBondContact O-N 2.93Å
67	I	78.2	Confident	73.1	Confident	55 Å²	55	82.3 Å²	82.3	28%	0.282	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-74.5	120.8	177.6	-60.1	172.7	0	0	0	108.8	H49 E60	H49-I67 HydrophobicContact CB-CD1 4.11Å; H49-I67 HydrophobicContact CB-CG2 3.83Å; E60-I67 WeakPolarHBondContact O-CD1 3.48Å
68	M	77.4	Confident	75.5	Confident	96 Å²	96	74.3 Å²	74.3	47%	0.473	41%	0.406	S	S	.	.			trans	-97.9	-8.9	-171.9	-55.7	-164.5	74.1	0	0	114.5	K46 C47 S66	K46-M68 HydrophobicContact CB-SD 3.58Å; K46-M68 VanDerWaalsContact CB-SD 3.58Å; K46-M68 HydrophobicContact CD-CE 3.99Å; K46-M68 HydrophobicContact CD-SD 3.73Å; K46-M68 HydrophobicContact CG-CE 4.15Å; K46-M68 HydrophobicContact CG-SD 3.37Å; K46-M68 WeakPolarHBondContact CG-SD 3.41Å; C47-M68 WeakPolarHBondContact O-CA 3.19Å; C47-M68 WeakPolarHBondContact O-CB 3.25Å; C47-M68 PolarHBondContact O-N 3.14Å; S66-M68 PolarHBondContact O-N 2.93Å
69	G	79.3	Confident	77.7	Confident	22 Å²	22	69.8 Å²	69.8	23%	0.227	38%	0.377	C	S	.	.			trans	166.3	179.9	176	0	0	0	0	0	115.3	Y48 H49	Y48-G69 WeakPolarHBondContact CA-O 3.34Å; H49-G69 PolarHBondContact N-O 3.01Å
70	N	86	Confident	79.8	Confident	48 Å²	48	65.3 Å²	65.3	26%	0.257	35%	0.346	S	S	.	.			trans	-92.1	-167.9	-177.9	70	15.3	0	0	0	112.6	H49 E72 A73 F74	H49-N70 WeakPolarHBondContact O-CA 3.42Å; N70-E72 VanDerWaalsContact C-N 3.32Å; N70-E72 PolarHBondContact O-N 3.09Å; N70-E72 PolarHBondContact OD1-N 3.31Å; N70-A73 PolarHBondContact O-N 2.82Å; N70-A73 PolarHBondContact OD1-N 3.08Å; N70-A73 VanDerWaalsContact OD1-N 3.14Å; N70-F74 PolarHBondContact O-N 3.14Å
71	V	88.8	Confident	82	Confident	71 Å²	71	59.6 Å²	59.6	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-34.3	-179.3	68.1	0	0	0	0	113.7	F50 R75	F50-V71 HydrophobicContact CB-CB 4.39Å; F50-V71 VanDerWaalsContact CD1-CA 3.48Å; F50-V71 HydrophobicContact CD1-CB 3.69Å; F50-V71 HydrophobicContact CD1-CG2 4.13Å; F50-V71 HydrophobicContact CD2-CG2 4.2Å; F50-V71 HydrophobicContact CE1-CB 4.1Å; F50-V71 HydrophobicContact CE1-CG2 4.23Å; F50-V71 HydrophobicContact CE2-CG2 4.25Å; F50-V71 HydrophobicContact CG-CB 3.95Å; F50-V71 HydrophobicContact CG-CG2 4.14Å; F50-V71 HydrophobicContact CZ-CG2 4.28Å; V71-R75 VanDerWaalsContact O-CG 3.3Å; V71-R75 WeakPolarHBondContact O-CG 3.34Å; V71-R75 PolarHBondContact O-N 3.28Å
72	E	89.9	Confident	84.1	Confident	117 Å²	117	54.4 Å²	54.4	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-72.5	-42.8	179.1	-174.6	173.1	177.3	0	0	110.7	N70 F74 R75 K76 L134	N70-E72 VanDerWaalsContact C-N 3.32Å; N70-E72 PolarHBondContact O-N 3.09Å; N70-E72 PolarHBondContact OD1-N 3.31Å; E72-F74 VanDerWaalsContact C-N 3.33Å; E72-F74 PolarHBondContact O-N 3.19Å; E72-R75 PolarHBondContact O-N 2.64Å; E72-R75 VanDerWaalsContact O-N 3.16Å; E72-K76 WeakPolarHBondContact O-CB 3.4Å; E72-K76 PolarHBondContact O-N 3.1Å; E72-L134 HydrophobicContact CG-CD1 3.81Å; E72-L134 WeakPolarHBondContact OE1-CD1 3.3Å
73	A	92.3	Very high	86.4	Confident	34 Å²	34	50.7 Å²	50.7	28%	0.281	28%	0.275	S	S	.	.	H	α-helix	trans	-57.5	-45.6	173.6	0	0	0	0	0	111.6	Y48 N70 R75 K76 D77	Y48-A73 HydrophobicContact CD1-CB 4.18Å; Y48-A73 HydrophobicContact CE1-CB 3.9Å; N70-A73 PolarHBondContact O-N 2.82Å; N70-A73 PolarHBondContact OD1-N 3.08Å; N70-A73 VanDerWaalsContact OD1-N 3.14Å; A73-R75 PolarHBondContact O-N 2.91Å; A73-K76 PolarHBondContact O-N 3.05Å; A73-D77 WeakPolarHBondContact O-CB 3.13Å; A73-D77 PolarHBondContact O-N 3.28Å
74	F	94.8	Very high	88.4	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-46.5	174.1	167.5	-103.2	0	0	0	112.5	F35 V41 L43 Y48 F50 N70 E72 K76 D77 F78 I362 P390	F35-F74 HydrophobicContact CE1-CE1 4.03Å; F35-F74 AromaticContact CE1-CZ 3.88Å; F35-F74 HydrophobicContact CE1-CZ 3.88Å; F35-F74 HydrophobicContact CE2-CE1 4.44Å; F35-F74 AromaticContact CZ-CE1 3.93Å; F35-F74 HydrophobicContact CZ-CE1 3.93Å; F35-F74 AromaticContact CZ-CZ 3.95Å; F35-F74 HydrophobicContact CZ-CZ 3.95Å; V41-F74 HydrophobicContact CG1-CD2 3.75Å; V41-F74 HydrophobicContact CG1-CE2 3.43Å; V41-F74 VanDerWaalsContact CG1-CE2 3.43Å; V41-F74 HydrophobicContact CG1-CG 4.48Å; V41-F74 HydrophobicContact CG1-CZ 3.92Å; L43-F74 HydrophobicContact CB-CD2 4.47Å; L43-F74 HydrophobicContact CB-CE2 4.29Å; L43-F74 HydrophobicContact CD2-CD2 4.17Å; L43-F74 HydrophobicContact CD2-CE2 4.12Å; Y48-F74 HydrophobicContact CD1-CB 3.9Å; Y48-F74 HydrophobicContact CD2-CB 4.16Å; Y48-F74 AromaticContact CD2-CD2 3.91Å; Y48-F74 HydrophobicContact CD2-CD2 3.91Å; Y48-F74 HydrophobicContact CE1-CB 4.38Å; Y48-F74 HydrophobicContact CE2-CD2 4.29Å; Y48-F74 HydrophobicContact CG-CB 3.79Å; Y48-F74 HydrophobicContact CG-CD2 4.34Å; F50-F74 HydrophobicContact CE1-CB 3.68Å; F50-F74 HydrophobicContact CE1-CD1 4.12Å; F50-F74 AromaticContact CE1-CG 3.96Å; F50-F74 HydrophobicContact CE1-CG 3.96Å; F50-F74 HydrophobicContact CE2-CD1 4.41Å; F50-F74 HydrophobicContact CZ-CB 3.93Å; F50-F74 AromaticContact CZ-CD1 3.47Å; F50-F74 HydrophobicContact CZ-CD1 3.47Å; F50-F74 VanDerWaalsContact CZ-CD1 3.47Å; F50-F74 HydrophobicContact CZ-CD2 4.43Å; F50-F74 HydrophobicContact CZ-CE1 4.06Å; F50-F74 AromaticContact CZ-CG 3.67Å; F50-F74 HydrophobicContact CZ-CG 3.67Å; N70-F74 PolarHBondContact O-N 3.14Å; E72-F74 VanDerWaalsContact C-N 3.33Å; E72-F74 PolarHBondContact O-N 3.19Å; F74-K76 VanDerWaalsContact C-N 3.35Å; F74-K76 PolarHBondContact O-N 2.95Å; F74-D77 PolarHBondContact O-N 3.5Å; F74-F78 WeakPolarHBondContact O-CB 3.43Å; F74-F78 PolarHBondContact O-N 3.49Å; F74-I362 HydrophobicContact CE2-CD1 4.41Å; F74-I362 HydrophobicContact CZ-CD1 4.35Å; F74-P390 HydrophobicContact CE1-CG 3.97Å; F74-P390 HydrophobicContact CZ-CB 4.34Å; F74-P390 HydrophobicContact CZ-CG 4.19Å
75	R	93.5	Very high	90.2	Very high	144 Å²	144	40 Å²	40	54%	0.543	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-43	179.9	-76.2	177.7	67.9	-177.8	-2.6	111.5	V71 E72 A73 A79 L134	V71-R75 VanDerWaalsContact O-CG 3.3Å; V71-R75 WeakPolarHBondContact O-CG 3.34Å; V71-R75 PolarHBondContact O-N 3.28Å; E72-R75 PolarHBondContact O-N 2.64Å; E72-R75 VanDerWaalsContact O-N 3.16Å; A73-R75 PolarHBondContact O-N 2.91Å; R75-A79 VanDerWaalsContact O-CB 3.23Å; R75-A79 WeakPolarHBondContact O-CB 3.14Å; R75-A79 PolarHBondContact O-N 3.39Å; R75-L134 HydrophobicContact CB-CD2 4.07Å
76	K	95.4	Very high	91.8	Very high	85 Å²	85	36.5 Å²	36.5	37%	0.37	19%	0.192	S	C	.	.	H	α-helix	trans	-62.8	-47.7	177.5	-168.9	177.9	-178.2	179.5	0	110.6	E72 A73 F74 A79 S80 C129 A133 L134	E72-K76 WeakPolarHBondContact O-CB 3.4Å; E72-K76 PolarHBondContact O-N 3.1Å; A73-K76 PolarHBondContact O-N 3.05Å; F74-K76 VanDerWaalsContact C-N 3.35Å; F74-K76 PolarHBondContact O-N 2.95Å; K76-A79 PolarHBondContact O-N 2.87Å; K76-S80 WeakPolarHBondContact O-CB 3.06Å; K76-S80 PolarHBondContact O-N 3.23Å; K76-S80 PolarHBondContact O-OG 2.89Å; K76-C129 HydrophobicContact CD-CB 4.15Å; K76-C129 HydrophobicContact CG-CB 3.99Å; K76-A133 HydrophobicContact CG-CB 4.27Å; K76-L134 HydrophobicContact CB-CD1 4.31Å; K76-L134 HydrophobicContact CB-CD2 4.01Å; K76-L134 HydrophobicContact CB-CG 4.13Å; K76-L134 HydrophobicContact CD-CD1 4.42Å; K76-L134 HydrophobicContact CG-CD1 4.46Å; K76-L134 HydrophobicContact CG-CG 4.24Å
77	D	97.5	Very high	93	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-46.7	179.5	-174.4	21.7	0	0	0	112.3	L43 Y48 A73 F74 S80 R81 R126	L43-D77 HydrophobicContact CD2-CB 4.03Å; L43-D77 WeakPolarHBondContact CD2-OD2 3.26Å; Y48-D77 VanDerWaalsContact OH-CB 3.27Å; Y48-D77 WeakPolarHBondContact OH-CB 3.06Å; Y48-D77 VanDerWaalsContact OH-CG 3.23Å; Y48-D77 PolarHBondContact OH-OD2 2.97Å; A73-D77 WeakPolarHBondContact O-CB 3.13Å; A73-D77 PolarHBondContact O-N 3.28Å; F74-D77 PolarHBondContact O-N 3.5Å; D77-S80 WeakPolarHBondContact O-CB 3.38Å; D77-S80 PolarHBondContact O-N 3.16Å; D77-R81 PolarHBondContact O-N 2.99Å; D77-R81 PolarHBondContact O-NE 3.08Å; D77-R81 VanDerWaalsContact O-NE 3.11Å; D77-R81 IonicContact OD1-CZ 3.78Å; D77-R81 IonicContact OD1-NE 2.98Å; D77-R81 PolarHBondContact OD1-NE 2.91Å; D77-R81 IonicContact OD1-NH2 2.82Å; D77-R81 PolarHBondContact OD1-NH2 2.71Å; D77-R126 VanDerWaalsContact CG-NH1 3.34Å; D77-R126 IonicContact OD1-CZ 2.68Å; D77-R126 IonicContact OD1-NH1 3.77Å; D77-R126 PolarHBondContact OD1-NH1 2.77Å; D77-R126 IonicContact OD1-NH2 2.64Å; D77-R126 IonicContact OD2-CZ 3.34Å; D77-R126 IonicContact OD2-NH1 2.71Å; D77-R126 PolarHBondContact OD2-NH1 2.9Å; D77-R126 VanDerWaalsContact OD2-NH1 3.09Å; D77-R126 IonicContact OD2-NH2 3.5Å; D77-R126 PolarHBondContact OD2-NH2 2.73Å
78	F	97.6	Very high	93.8	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-48.3	177.6	-177.7	-87.8	0	0	0	111.7	L43 F74 S80 R81 V354 I362 M364 C387 P390	L43-F78 HydrophobicContact CD1-CD2 4.04Å; L43-F78 HydrophobicContact CD2-CB 3.98Å; L43-F78 HydrophobicContact CD2-CD2 4.5Å; F74-F78 WeakPolarHBondContact O-CB 3.43Å; F74-F78 PolarHBondContact O-N 3.49Å; F78-S80 PolarHBondContact O-N 3.4Å; F78-R81 WeakPolarHBondContact O-CB 3.37Å; F78-R81 PolarHBondContact O-N 3.46Å; F78-V354 HydrophobicContact CD2-CG2 4.29Å; F78-V354 HydrophobicContact CE2-CG2 3.85Å; F78-I362 HydrophobicContact CD2-CG2 4.29Å; F78-I362 HydrophobicContact CE2-CG2 3.94Å; F78-M364 HydrophobicContact CE2-CG 4.01Å; F78-M364 HydrophobicContact CZ-CG 3.8Å; F78-C387 WeakPolarHBondContact CD1-O 3.18Å; F78-C387 HydrophobicContact CE1-CB 3.97Å; F78-P390 HydrophobicContact CD1-CB 3.9Å; F78-P390 HydrophobicContact CD1-CG 4.28Å; F78-P390 HydrophobicContact CD2-CB 3.85Å; F78-P390 VanDerWaalsContact CE1-CA 3.41Å; F78-P390 HydrophobicContact CE1-CB 3.7Å; F78-P390 HydrophobicContact CE1-CG 4.41Å; F78-P390 HydrophobicContact CE2-CB 3.63Å; F78-P390 HydrophobicContact CG-CB 3.99Å; F78-P390 HydrophobicContact CG-CG 4.47Å; F78-P390 HydrophobicContact CZ-CB 3.57Å
79	A	97.1	Very high	94.7	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-72.3	-11.2	-179.3	0	0	0	0	0	113.6	R75 K76 A133 L136 H386 C387	R75-A79 VanDerWaalsContact O-CB 3.23Å; R75-A79 WeakPolarHBondContact O-CB 3.14Å; R75-A79 PolarHBondContact O-N 3.39Å; K76-A79 PolarHBondContact O-N 2.87Å; A79-A133 HydrophobicContact CB-CB 3.92Å; A79-L136 HydrophobicContact CB-CD1 4.37Å; A79-H386 WeakPolarHBondContact O-CB 3.24Å; A79-H386 PolarHBondContact O-ND1 3.49Å; A79-C387 VanDerWaalsContact CA-O 3.28Å; A79-C387 WeakPolarHBondContact CA-O 3.34Å; A79-C387 WeakPolarHBondContact CB-O 3.45Å
80	S	98.1	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.2	172.6	-58.8	0	0	0	0	113.3	K76 D77 F78 W128 C129 W130 H386	K76-S80 WeakPolarHBondContact O-CB 3.06Å; K76-S80 PolarHBondContact O-N 3.23Å; K76-S80 PolarHBondContact O-OG 2.89Å; D77-S80 WeakPolarHBondContact O-CB 3.38Å; D77-S80 PolarHBondContact O-N 3.16Å; F78-S80 PolarHBondContact O-N 3.4Å; S80-W128 WeakPolarHBondContact O-CZ3 3.45Å; S80-C129 VanDerWaalsContact OG-CA 3.24Å; S80-C129 WeakPolarHBondContact OG-CA 3.36Å; S80-C129 WeakPolarHBondContact OG-CB 3.28Å; S80-W130 PolarHBondContact OG-N 2.86Å; S80-H386 PolarHBondContact O-CE1 2.93Å
81	R	98.3	Very high	96.1	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.167	C	C	.	.	S	Bend	trans	-72.9	137.9	178.1	-58.1	-52.1	106.2	-170.9	2.6	109.9	L44 D77 F78 W83 W128 M364	L44-R81 HydrophobicContact CD1-CG 4.42Å; D77-R81 PolarHBondContact O-N 2.99Å; D77-R81 PolarHBondContact O-NE 3.08Å; D77-R81 VanDerWaalsContact O-NE 3.11Å; D77-R81 IonicContact OD1-CZ 3.78Å; D77-R81 IonicContact OD1-NE 2.98Å; D77-R81 PolarHBondContact OD1-NE 2.91Å; D77-R81 IonicContact OD1-NH2 2.82Å; D77-R81 PolarHBondContact OD1-NH2 2.71Å; F78-R81 WeakPolarHBondContact O-CB 3.37Å; F78-R81 PolarHBondContact O-N 3.46Å; R81-W83 PolarHBondContact O-N 3.24Å; R81-W128 PolarHBondContact NH2-O 3.36Å; R81-M364 HydrophobicContact CB-CE 3.84Å; R81-M364 HydrophobicContact CB-SD 3.76Å; R81-M364 WeakPolarHBondContact O-CE 3.45Å
82	L	98.5	Very high	96.6	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-64.7	122.9	178.1	-70	-177.9	0	0	0	111	M113 A116 V120 L198 V199	L82-M113 WeakPolarHBondContact O-CG 3.48Å; L82-A116 HydrophobicContact CB-CB 3.94Å; L82-A116 HydrophobicContact CD1-CB 3.87Å; L82-V120 HydrophobicContact CD1-CG2 4.19Å; L82-V120 HydrophobicContact CG-CG2 4.36Å; L82-L198 HydrophobicContact CD1-CB 4.28Å; L82-V199 HydrophobicContact CD1-CG2 4.27Å; L82-V199 HydrophobicContact CD2-CG2 3.59Å
83	W	98.6	Very high	96.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.008	15%	0.147	C	C	.	.			trans	-110.5	107.2	-176.9	-174.3	40.9	0	0	0	110.4	R81 T85 L139 M364 D365 Y368 Y385 C387	R81-W83 PolarHBondContact O-N 3.24Å; W83-T85 HydrophobicContact CD2-CG2 3.47Å; W83-T85 VanDerWaalsContact CD2-CG2 3.47Å; W83-T85 HydrophobicContact CE3-CG2 3.94Å; W83-T85 HydrophobicContact CG-CG2 4Å; W83-T85 HydrophobicContact CH2-CG2 3.9Å; W83-T85 HydrophobicContact CZ2-CG2 3.41Å; W83-T85 VanDerWaalsContact CZ2-CG2 3.41Å; W83-T85 HydrophobicContact CZ3-CG2 4.13Å; W83-L139 HydrophobicContact CH2-CD1 3.81Å; W83-L139 HydrophobicContact CH2-CD2 4.07Å; W83-L139 HydrophobicContact CZ2-CD1 4.46Å; W83-L139 HydrophobicContact CZ3-CD1 4.35Å; W83-L139 HydrophobicContact CZ3-CD2 4.17Å; W83-M364 HydrophobicContact CB-CE 3.56Å; W83-M364 HydrophobicContact CG-CE 4.02Å; W83-D365 WeakPolarHBondContact CZ2-O 3.39Å; W83-D365 PolarHBondContact NE1-O 2.9Å; W83-Y368 AromaticContact CH2-CD1 3.88Å; W83-Y368 HydrophobicContact CH2-CD1 3.88Å; W83-Y368 AromaticContact CH2-CD2 3.89Å; W83-Y368 HydrophobicContact CH2-CD2 3.89Å; W83-Y368 HydrophobicContact CH2-CE1 4.32Å; W83-Y368 HydrophobicContact CH2-CE2 4.31Å; W83-Y368 AromaticContact CH2-CG 3.63Å; W83-Y368 HydrophobicContact CH2-CG 3.63Å; W83-Y368 HydrophobicContact CZ2-CD1 4.21Å; W83-Y368 AromaticContact CZ2-CD2 3.35Å; W83-Y368 HydrophobicContact CZ2-CD2 3.35Å; W83-Y368 AromaticContact CZ2-CE2 3.77Å; W83-Y368 HydrophobicContact CZ2-CE2 3.77Å; W83-Y368 AromaticContact CZ2-CG 3.58Å; W83-Y368 HydrophobicContact CZ2-CG 3.58Å; W83-Y385 PolarHBondContact N-O 3.03Å; W83-Y385 WeakPolarHBondContact O-CA 3.45Å; W83-C387 HydrophobicContact CB-CB 3.91Å; W83-C387 HydrophobicContact CD2-CB 3.61Å; W83-C387 HydrophobicContact CE3-CB 3.93Å; W83-C387 HydrophobicContact CG-CB 3.63Å
84	L	98.6	Very high	97	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	15%	0.15	C	C	.	.			trans	-106.1	120.5	178.5	-61.5	169.7	0	0	0	108.8	Q112 M113 F202 Y385	L84-Q112 HydrophobicContact CB-CB 4.45Å; L84-Q112 HydrophobicContact CD1-CB 3.25Å; L84-Q112 HydrophobicContact CD1-CG 4.27Å; L84-Q112 HydrophobicContact CG-CB 4.46Å; L84-M113 HydrophobicContact CB-CG 3.83Å; L84-M113 HydrophobicContact CG-CG 4.25Å; L84-M113 PolarHBondContact N-SD 2.83Å; L84-F202 HydrophobicContact CD1-CB 3.76Å; L84-F202 HydrophobicContact CD1-CD1 3.86Å; L84-F202 HydrophobicContact CD1-CD2 4.37Å; L84-F202 HydrophobicContact CD1-CG 3.74Å; L84-F202 HydrophobicContact CD2-CB 4.09Å; L84-Y385 HydrophobicContact CD2-CD1 3.55Å; L84-Y385 HydrophobicContact CD2-CE1 3.73Å
85	T	97.9	Very high	96.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.194	C	C	.	.			trans	-119.2	175.3	-174.9	72.1	0	0	0	0	110.4	W83 R109 P366 Y368 Q370	W83-T85 HydrophobicContact CD2-CG2 3.47Å; W83-T85 VanDerWaalsContact CD2-CG2 3.47Å; W83-T85 HydrophobicContact CE3-CG2 3.94Å; W83-T85 HydrophobicContact CG-CG2 4Å; W83-T85 HydrophobicContact CH2-CG2 3.9Å; W83-T85 HydrophobicContact CZ2-CG2 3.41Å; W83-T85 VanDerWaalsContact CZ2-CG2 3.41Å; W83-T85 HydrophobicContact CZ3-CG2 4.13Å; T85-R109 WeakPolarHBondContact O-CD 3.21Å; T85-R109 PolarHBondContact O-NE 2.62Å; T85-P366 CarbonylContact C-O 3.32Å; T85-P366 VanDerWaalsContact CA-O 3.3Å; T85-P366 WeakPolarHBondContact CA-O 3.35Å; T85-P366 WeakPolarHBondContact CB-O 3.37Å; T85-Y368 WeakPolarHBondContact CB-O 3.22Å; T85-Y368 PolarHBondContact OG1-O 3.5Å; T85-Q370 WeakPolarHBondContact OG1-CG 3.36Å; T85-Q370 PolarHBondContact OG1-NE2 2.81Å
86	Y	98.2	Very high	96.9	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	18%	0.181	C	C	.	.			trans	-53.2	143.8	164.9	-60.6	-35.4	0	0	0	112.2	Y25 D101 C102 G103 C106 R109 P366 H367 Y368 Q370	Y25-Y86 HydrophobicContact CD2-CE2 4.34Å; Y25-Y86 HydrophobicContact CE2-CE2 4.35Å; Y86-D101 WeakPolarHBondContact CA-OD1 3.38Å; Y86-D101 WeakPolarHBondContact CD1-O 3.28Å; Y86-D101 VanDerWaalsContact CD1-OD2 3.31Å; Y86-D101 WeakPolarHBondContact CD1-OD2 3.48Å; Y86-D101 WeakPolarHBondContact CE1-O 3.47Å; Y86-C102 WeakPolarHBondContact CB-SG 3.2Å; Y86-C102 HydrophobicContact CD2-CB 4.23Å; Y86-C102 HydrophobicContact CG-CB 4.39Å; Y86-G103 VanDerWaalsContact CE2-N 3.32Å; Y86-C106 HydrophobicContact CE1-CB 3.83Å; Y86-C106 WeakPolarHBondContact OH-CB 3.46Å; Y86-R109 HydrophobicContact CD1-CG 4.46Å; Y86-P366 PolarHBondContact N-O 2.94Å; Y86-H367 HydrophobicContact CD2-CB 4.46Å; Y86-H367 HydrophobicContact CE2-CB 4.05Å; Y86-H367 AromaticContact CE2-CD2 3.76Å; Y86-H367 AromaticContact CZ-CD2 3.75Å; Y86-H367 PolarHBondContact OH-CD2 3.37Å; Y86-Y368 PolarHBondContact N-O 3Å; Y86-Q370 PolarHBondContact O-N 3.3Å
87	R	97.6	Very high	97	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.7	177.2	-65.9	-84.5	-172.5	-174.9	-0.1	111.3	F90 S100 D101 D204 Q370 S371 S384	R87-F90 HydrophobicContact CB-CD1 3.71Å; R87-F90 HydrophobicContact CB-CE1 3.94Å; R87-F90 VanDerWaalsContact O-CE1 3.32Å; R87-F90 WeakPolarHBondContact O-CE1 3.23Å; R87-S100 VanDerWaalsContact O-CA 3.23Å; R87-S100 WeakPolarHBondContact O-CA 3.33Å; R87-S100 WeakPolarHBondContact O-CB 3.34Å; R87-S100 PolarHBondContact O-OG 2.84Å; R87-D101 PolarHBondContact N-OD1 2.86Å; R87-D101 PolarHBondContact O-N 3.02Å; R87-D204 VanDerWaalsContact CG-OD2 3.29Å; R87-D204 WeakPolarHBondContact CG-OD2 3.4Å; R87-Q370 CarbonylContact C-O 3.51Å; R87-Q370 WeakPolarHBondContact CA-O 3.14Å; R87-Q370 WeakPolarHBondContact CD-O 3.36Å; R87-S371 WeakPolarHBondContact CD-O 3.17Å; R87-S371 PolarHBondContact NH1-O 2.94Å; R87-S384 PolarHBondContact NH1-OG 3.46Å; R87-S384 PolarHBondContact NH2-O 3.11Å; R87-S384 PolarHBondContact NH2-OG 2.87Å
88	E	95.3	Very high	97	Very high	44 Å²	44	30.8 Å²	30.8	21%	0.206	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	161.2	173.6	63.3	-176.7	-172.9	0	0	110.2	N22 F90 T99 C369 Q370 F372	N22-E88 PolarHBondContact ND2-OE2 2.77Å; E88-F90 VanDerWaalsContact C-N 3.26Å; E88-F90 PolarHBondContact O-N 2.72Å; E88-T99 CarbonylContact C-O 3.57Å; E88-C369 PolarHBondContact OE2-SG 2.61Å; E88-Q370 PolarHBondContact N-O 2.91Å; E88-F372 VanDerWaalsContact O-CB 3.29Å; E88-F372 WeakPolarHBondContact O-CB 3.46Å; E88-F372 PolarHBondContact O-N 3.5Å
89	D	96.4	Very high	97	Very high	106 Å²	106	33.4 Å²	33.4	57%	0.567	22%	0.218	S	C	*	.	S	Bend	trans	65.5	22.7	-179	-53.3	-41.2	0	0	0	114.5	T99	D89-T99 PolarHBondContact N-O 3.09Å
90	F	97.4	Very high	97	Very high	4 Å²	4	34 Å²	34	2%	0.018	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-82.3	161.3	168.7	53.6	-120.7	0	0	0	111.5	R87 E88 L93 T99 S100 D101 D204 L212 H213 F372	R87-F90 HydrophobicContact CB-CD1 3.71Å; R87-F90 HydrophobicContact CB-CE1 3.94Å; R87-F90 VanDerWaalsContact O-CE1 3.32Å; R87-F90 WeakPolarHBondContact O-CE1 3.23Å; E88-F90 VanDerWaalsContact C-N 3.26Å; E88-F90 PolarHBondContact O-N 2.72Å; F90-L93 HydrophobicContact CE2-CD1 4.06Å; F90-L93 HydrophobicContact CE2-CD2 4.21Å; F90-L93 HydrophobicContact CE2-CG 3.83Å; F90-L93 HydrophobicContact CZ-CD1 4.26Å; F90-L93 HydrophobicContact CZ-CG 4.44Å; F90-T99 VanDerWaalsContact CD2-C 3.45Å; F90-T99 WeakPolarHBondContact CD2-O 3.29Å; F90-T99 PolarHBondContact N-O 3.31Å; F90-T99 VanDerWaalsContact O-CB 3.27Å; F90-T99 WeakPolarHBondContact O-CB 3.37Å; F90-T99 VanDerWaalsContact O-CG2 3.31Å; F90-T99 WeakPolarHBondContact O-CG2 3.4Å; F90-S100 VanDerWaalsContact CE2-N 3.29Å; F90-S100 VanDerWaalsContact CZ-N 3.28Å; F90-D101 HydrophobicContact CE1-CB 4.46Å; F90-D101 HydrophobicContact CZ-CB 4.28Å; F90-D204 HydrophobicContact CB-CB 3.76Å; F90-D204 HydrophobicContact CD1-CB 3.86Å; F90-D204 HydrophobicContact CG-CB 4.01Å; F90-L212 HydrophobicContact CE1-CD2 3.86Å; F90-L212 HydrophobicContact CE2-CD2 4.43Å; F90-L212 HydrophobicContact CZ-CD2 3.6Å; F90-H213 AromaticContact CD2-CE1 3.87Å; F90-F372 HydrophobicContact CB-CB 4.11Å; F90-F372 HydrophobicContact CB-CD2 3.89Å; F90-F372 HydrophobicContact CB-CG 4.09Å
91	P	97.3	Very high	96.9	Very high	60 Å²	60	34 Å²	34	39%	0.39	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-54.8	149.2	175.4	-26.2	35.6	0	0	0	112.9	L93 H213	P91-L93 PolarHBondContact O-N 3.02Å; P91-H213 PolarHBondContact O-NE2 3.44Å
92	P	97.9	Very high	96.8	Very high	84 Å²	84	34.3 Å²	34.3	55%	0.545	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-52.9	139.9	-177.5	-26.7	34.4	0	0	0	114	L98 T99	P92-L98 WeakPolarHBondContact CA-O 3.42Å; P92-T99 HydrophobicContact CB-CG2 4.4Å; P92-T99 HydrophobicContact CG-CG2 3.96Å
93	L	97.5	Very high	96.5	Very high	4 Å²	4	34 Å²	34	2%	0.021	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-70.1	151.4	177.7	-71.9	167.4	0	0	0	112.1	F90 P91 G95 S96 L98 W104 L212 H213 V216 A226	F90-L93 HydrophobicContact CE2-CD1 4.06Å; F90-L93 HydrophobicContact CE2-CD2 4.21Å; F90-L93 HydrophobicContact CE2-CG 3.83Å; F90-L93 HydrophobicContact CZ-CD1 4.26Å; F90-L93 HydrophobicContact CZ-CG 4.44Å; P91-L93 PolarHBondContact O-N 3.02Å; L93-G95 PolarHBondContact O-N 2.81Å; L93-S96 PolarHBondContact O-N 3.09Å; L93-S96 VanDerWaalsContact O-O 3.13Å; L93-L98 HydrophobicContact CD1-CB 4.12Å; L93-L98 PolarHBondContact N-O 3.5Å; L93-W104 HydrophobicContact CD1-CH2 3.57Å; L93-W104 HydrophobicContact CD1-CZ2 3.44Å; L93-W104 VanDerWaalsContact CD1-CZ2 3.44Å; L93-L212 HydrophobicContact CD1-CD2 4.37Å; L93-L212 HydrophobicContact CD2-CD2 4.07Å; L93-L212 HydrophobicContact CD2-CG 4.12Å; L93-H213 HydrophobicContact CD2-CB 4.37Å; L93-V216 HydrophobicContact CD1-CG2 4.43Å; L93-V216 HydrophobicContact CD2-CB 4.43Å; L93-V216 HydrophobicContact CD2-CG2 4.2Å; L93-A226 HydrophobicContact CB-CB 4.06Å; L93-A226 HydrophobicContact CD1-CB 3.88Å
94	P	93.1	Very high	96.4	Very high	52 Å²	52	35 Å²	35	34%	0.338	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129.9	179.3	-26.7	36.4	0	0	0	112.4	S96 H217	P94-S96 PolarHBondContact O-N 3.12Å; P94-H217 HydrophobicContact CB-CB 4.39Å; P94-H217 HydrophobicContact CG-CB 4.16Å
95	G	92.6	Very high	96.3	Very high	91 Å²	91	34.7 Å²	34.7	94%	0.938	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	15.9	-179.9	0	0	0	0	0	114.9	L93	L93-G95 PolarHBondContact O-N 2.81Å
96	S	95	Very high	96.3	Very high	39 Å²	39	34.7 Å²	34.7	27%	0.273	23%	0.225	S	C	.	.	S	Bend	trans	-145.1	167.5	-173.9	-172.6	0	0	0	0	112.8	L93 P94 L98	L93-S96 PolarHBondContact O-N 3.09Å; L93-S96 VanDerWaalsContact O-O 3.13Å; P94-S96 PolarHBondContact O-N 3.12Å; S96-L98 WeakPolarHBondContact OG-CG 3.44Å; S96-L98 PolarHBondContact OG-N 3.13Å; S96-L98 VanDerWaalsContact OG-N 3.15Å
97	T	96.2	Very high	96.3	Very high	113 Å²	113	34.7 Å²	34.7	69%	0.693	23%	0.225	S	C	*	.			trans	-100.2	0.1	169.4	60.1	0	0	0	0	112.7	T99	T97-T99 PolarHBondContact O-N 3.29Å
98	L	96.9	Very high	96.4	Very high	25 Å²	25	34.5 Å²	34.5	13%	0.131	23%	0.225	C	C	.	.			trans	-66.7	126.5	-179.6	-67.4	-178.3	0	0	0	111.2	T14 P92 L93 S96 W104 A226	T14-L98 HydrophobicContact CG2-CD2 3.36Å; P92-L98 WeakPolarHBondContact CA-O 3.42Å; L93-L98 HydrophobicContact CD1-CB 4.12Å; L93-L98 PolarHBondContact N-O 3.5Å; S96-L98 WeakPolarHBondContact OG-CG 3.44Å; S96-L98 PolarHBondContact OG-N 3.13Å; S96-L98 VanDerWaalsContact OG-N 3.15Å; L98-W104 HydrophobicContact CD1-CZ2 4.02Å; L98-A226 HydrophobicContact CD1-CB 3.92Å
99	T	97.6	Very high	96.6	Very high	56 Å²	56	32.5 Å²	32.5	34%	0.344	22%	0.216	S	C	.	.			trans	-117.3	16.9	176.8	46.7	0	0	0	0	111.2	E88 D89 F90 P92 T97	E88-T99 CarbonylContact C-O 3.57Å; D89-T99 PolarHBondContact N-O 3.09Å; F90-T99 VanDerWaalsContact CD2-C 3.45Å; F90-T99 WeakPolarHBondContact CD2-O 3.29Å; F90-T99 PolarHBondContact N-O 3.31Å; F90-T99 VanDerWaalsContact O-CB 3.27Å; F90-T99 WeakPolarHBondContact O-CB 3.37Å; F90-T99 VanDerWaalsContact O-CG2 3.31Å; F90-T99 WeakPolarHBondContact O-CG2 3.4Å; P92-T99 HydrophobicContact CB-CG2 4.4Å; P92-T99 HydrophobicContact CG-CG2 3.96Å; T97-T99 PolarHBondContact O-N 3.29Å
100	S	97.3	Very high	96.7	Very high	14 Å²	14	27.5 Å²	27.5	10%	0.098	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-154.1	145.3	176.6	178.2	0	0	0	0	110.8	R87 F90 C102 W104	R87-S100 VanDerWaalsContact O-CA 3.23Å; R87-S100 WeakPolarHBondContact O-CA 3.33Å; R87-S100 WeakPolarHBondContact O-CB 3.34Å; R87-S100 PolarHBondContact O-OG 2.84Å; F90-S100 VanDerWaalsContact CE2-N 3.29Å; F90-S100 VanDerWaalsContact CZ-N 3.28Å; S100-C102 WeakPolarHBondContact OG-CB 3.46Å; S100-C102 PolarHBondContact OG-N 3.45Å; S100-C102 VanDerWaalsContact OG-N 3.16Å; S100-C102 PolarHBondContact OG-SG 2.97Å; S100-W104 PolarHBondContact O-NE1 3.01Å
101	D	97.7	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	19%	0.188	C	C	.	.			trans	-101.5	5.9	172.3	72.8	-56.6	0	0	0	114.2	Y86 R87 F90 G103 W104 G105 R109 L212	Y86-D101 WeakPolarHBondContact CA-OD1 3.38Å; Y86-D101 WeakPolarHBondContact CD1-O 3.28Å; Y86-D101 VanDerWaalsContact CD1-OD2 3.31Å; Y86-D101 WeakPolarHBondContact CD1-OD2 3.48Å; Y86-D101 WeakPolarHBondContact CE1-O 3.47Å; R87-D101 PolarHBondContact N-OD1 2.86Å; R87-D101 PolarHBondContact O-N 3.02Å; F90-D101 HydrophobicContact CE1-CB 4.46Å; F90-D101 HydrophobicContact CZ-CB 4.28Å; D101-G103 PolarHBondContact O-N 3.2Å; D101-G103 VanDerWaalsContact O-N 3.15Å; D101-W104 HydrophobicContact CB-CH2 4.39Å; D101-W104 HydrophobicContact CB-CZ2 3.86Å; D101-W104 PolarHBondContact O-N 3Å; D101-W104 VanDerWaalsContact O-N 3.11Å; D101-G105 PolarHBondContact O-N 3.45Å; D101-R109 VanDerWaalsContact CG-NH2 3.34Å; D101-R109 IonicContact OD1-CZ 2.86Å; D101-R109 IonicContact OD1-NE 2.84Å; D101-R109 IonicContact OD1-NH2 3.37Å; D101-R109 PolarHBondContact OD1-NH2 2.97Å; D101-R109 IonicContact OD2-CZ 3.34Å; D101-R109 IonicContact OD2-NE 3.74Å; D101-R109 PolarHBondContact OD2-NE 3.27Å; D101-R109 IonicContact OD2-NH2 2.72Å; D101-R109 PolarHBondContact OD2-NH2 3.16Å; D101-L212 HydrophobicContact CB-CD2 3.57Å
102	C	95.6	Very high	96.8	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.054	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	118	-177.6	-57	0	0	0	0	110	Y86 S100 C369	Y86-C102 WeakPolarHBondContact CB-SG 3.2Å; Y86-C102 HydrophobicContact CD2-CB 4.23Å; Y86-C102 HydrophobicContact CG-CB 4.39Å; S100-C102 WeakPolarHBondContact OG-CB 3.46Å; S100-C102 PolarHBondContact OG-N 3.45Å; S100-C102 VanDerWaalsContact OG-N 3.16Å; S100-C102 PolarHBondContact OG-SG 2.97Å; C102-C369 HydrophobicContact CB-CB 4.16Å; C102-C369 WeakPolarHBondContact CB-SG 3.04Å; C102-C369 WeakPolarHBondContact SG-CB 3.34Å; C102-C369 CovalentContact SG-SG 2.06Å; C102-C369 PolarHBondContact SG-SG 2.93Å
103	G	91.5	Very high	96.9	Very high	2 Å²	2	20.5 Å²	20.5	2%	0.021	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-3.5	179.5	0	0	0	0	0	116.7	Y86 D101 K348	Y86-G103 VanDerWaalsContact CE2-N 3.32Å; D101-G103 PolarHBondContact O-N 3.2Å; D101-G103 VanDerWaalsContact O-N 3.15Å; G103-K348 WeakPolarHBondContact O-CD 3.24Å; G103-K348 WeakPolarHBondContact O-CE 3.1Å; G103-K348 WeakPolarHBondContact O-CG 3.41Å
104	W	95.9	Very high	96.9	Very high	21 Å²	21	20.3 Å²	20.3	8%	0.08	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-36	178.6	64.1	-88.5	0	0	0	114.9	L93 L98 S100 D101 C106 L108 V216 A226 G227 Y230	L93-W104 HydrophobicContact CD1-CH2 3.57Å; L93-W104 HydrophobicContact CD1-CZ2 3.44Å; L93-W104 VanDerWaalsContact CD1-CZ2 3.44Å; L98-W104 HydrophobicContact CD1-CZ2 4.02Å; S100-W104 PolarHBondContact O-NE1 3.01Å; D101-W104 HydrophobicContact CB-CH2 4.39Å; D101-W104 HydrophobicContact CB-CZ2 3.86Å; D101-W104 PolarHBondContact O-N 3Å; D101-W104 VanDerWaalsContact O-N 3.11Å; W104-C106 PolarHBondContact O-N 3.41Å; W104-L108 HydrophobicContact CZ3-CD1 4.15Å; W104-V216 HydrophobicContact CH2-CG2 3.85Å; W104-V216 HydrophobicContact CZ3-CG2 4.18Å; W104-A226 HydrophobicContact CH2-CB 4.12Å; W104-A226 HydrophobicContact CZ2-CB 4.38Å; W104-G227 WeakPolarHBondContact CB-O 3.48Å; W104-G227 VanDerWaalsContact CD2-N 3.34Å; W104-G227 VanDerWaalsContact CE3-N 3.27Å; W104-G227 VanDerWaalsContact CZ3-N 3.34Å; W104-Y230 HydrophobicContact CE3-CE2 4.45Å; W104-Y230 HydrophobicContact CZ3-CE2 4.14Å
105	G	97.8	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	6.8	-172.8	0	0	0	0	0	117.1	D101 M107 L108 R109	D101-G105 PolarHBondContact O-N 3.45Å; G105-M107 VanDerWaalsContact C-N 3.33Å; G105-M107 PolarHBondContact O-N 3.4Å; G105-L108 WeakPolarHBondContact O-CB 3.35Å; G105-L108 PolarHBondContact O-N 3.23Å; G105-R109 WeakPolarHBondContact O-CG 3.41Å; G105-R109 PolarHBondContact O-N 2.85Å
106	C	98.1	Very high	97.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.3	-37.8	-163.1	51.7	0	0	0	0	113.3	Y86 W104 R109 A110 A350 P366 H367	Y86-C106 HydrophobicContact CE1-CB 3.83Å; Y86-C106 WeakPolarHBondContact OH-CB 3.46Å; W104-C106 PolarHBondContact O-N 3.41Å; C106-R109 PolarHBondContact O-N 3.35Å; C106-A110 WeakPolarHBondContact O-CB 3.45Å; C106-A110 PolarHBondContact O-N 3.35Å; C106-A350 HydrophobicContact CB-CB 3.86Å; C106-P366 HydrophobicContact CB-CG 4.07Å; C106-H367 WeakPolarHBondContact CB-NE2 3.09Å
107	M	98.6	Very high	97.7	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-73.2	-34	178.4	-168.8	62	70	0	0	112.1	G105 A110 G111 W229 Y230 P232 V235 I343 A350	G105-M107 VanDerWaalsContact C-N 3.33Å; G105-M107 PolarHBondContact O-N 3.4Å; M107-A110 PolarHBondContact O-N 3Å; M107-A110 HydrophobicContact SD-CB 4.45Å; M107-G111 PolarHBondContact O-N 3.49Å; M107-W229 HydrophobicContact CE-CZ2 4.41Å; M107-Y230 WeakPolarHBondContact CB-O 3.47Å; M107-Y230 VanDerWaalsContact CG-O 3.24Å; M107-Y230 WeakPolarHBondContact CG-O 3.26Å; M107-P232 HydrophobicContact CE-CG 3.6Å; M107-P232 HydrophobicContact SD-CB 4.3Å; M107-P232 HydrophobicContact SD-CG 4.01Å; M107-V235 HydrophobicContact CB-CG2 4.2Å; M107-V235 HydrophobicContact CG-CB 4.26Å; M107-V235 HydrophobicContact CG-CG2 3.58Å; M107-I343 HydrophobicContact SD-CB 4.38Å; M107-I343 HydrophobicContact SD-CD1 4.39Å; M107-A350 HydrophobicContact CB-CB 3.98Å; M107-A350 HydrophobicContact CE-CB 3.47Å; M107-A350 VanDerWaalsContact CE-CB 3.47Å; M107-A350 HydrophobicContact SD-CB 3.97Å
108	L	98.8	Very high	97.8	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-62.9	-46.2	173.4	-64.3	172.5	0	0	0	109.8	W104 G105 A110 G111 Q112 L212 L215 V216 Y230 V235	W104-L108 HydrophobicContact CZ3-CD1 4.15Å; G105-L108 WeakPolarHBondContact O-CB 3.35Å; G105-L108 PolarHBondContact O-N 3.23Å; L108-A110 PolarHBondContact O-N 3.4Å; L108-G111 PolarHBondContact O-N 2.9Å; L108-Q112 WeakPolarHBondContact O-CG 3.42Å; L108-Q112 PolarHBondContact O-N 2.77Å; L108-L212 HydrophobicContact CB-CD1 4.1Å; L108-L212 HydrophobicContact CD1-CD1 3.67Å; L108-L215 HydrophobicContact CB-CD1 4.43Å; L108-L215 HydrophobicContact CD2-CB 4.1Å; L108-L215 HydrophobicContact CD2-CD1 4.37Å; L108-V216 HydrophobicContact CD1-CG2 4.05Å; L108-Y230 HydrophobicContact CD1-CD2 4Å; L108-Y230 HydrophobicContact CD1-CE2 3.85Å; L108-Y230 HydrophobicContact CD1-CG 4.44Å; L108-Y230 HydrophobicContact CD2-CD1 3.88Å; L108-Y230 HydrophobicContact CD2-CD2 4.4Å; L108-Y230 HydrophobicContact CD2-CE1 4.16Å; L108-Y230 HydrophobicContact CD2-CG 4.01Å; L108-Y230 HydrophobicContact CG-CD1 4.45Å; L108-Y230 HydrophobicContact CG-CD2 4.09Å; L108-Y230 HydrophobicContact CG-CE2 4.42Å; L108-Y230 HydrophobicContact CG-CG 4.13Å; L108-V235 HydrophobicContact CD2-CG2 3.91Å
109	R	98.8	Very high	97.9	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.008	3%	0.031	C	C	.	.	H	α-helix	trans	-59.7	-43	174.8	-61.6	-50.6	-176	172.1	6.6	113	T85 Y86 D101 G105 C106 G111 Q112 M113 D204 P366	T85-R109 WeakPolarHBondContact O-CD 3.21Å; T85-R109 PolarHBondContact O-NE 2.62Å; Y86-R109 HydrophobicContact CD1-CG 4.46Å; D101-R109 VanDerWaalsContact CG-NH2 3.34Å; D101-R109 IonicContact OD1-CZ 2.86Å; D101-R109 IonicContact OD1-NE 2.84Å; D101-R109 IonicContact OD1-NH2 3.37Å; D101-R109 PolarHBondContact OD1-NH2 2.97Å; D101-R109 IonicContact OD2-CZ 3.34Å; D101-R109 IonicContact OD2-NE 3.74Å; D101-R109 PolarHBondContact OD2-NE 3.27Å; D101-R109 IonicContact OD2-NH2 2.72Å; D101-R109 PolarHBondContact OD2-NH2 3.16Å; G105-R109 WeakPolarHBondContact O-CG 3.41Å; G105-R109 PolarHBondContact O-N 2.85Å; C106-R109 PolarHBondContact O-N 3.35Å; R109-G111 VanDerWaalsContact C-N 3.34Å; R109-Q112 PolarHBondContact O-N 3.15Å; R109-M113 WeakPolarHBondContact O-CG 3.42Å; R109-M113 PolarHBondContact O-N 3.42Å; R109-D204 IonicContact CZ-OD1 3.28Å; R109-D204 IonicContact NH1-OD1 3.46Å; R109-D204 PolarHBondContact NH1-OD1 2.88Å; R109-D204 IonicContact NH2-OD1 2.87Å; R109-D204 PolarHBondContact NH2-OD1 2.89Å; R109-P366 HydrophobicContact CB-CB 3.59Å; R109-P366 HydrophobicContact CB-CG 4.49Å; R109-P366 HydrophobicContact CG-CB 4.3Å
110	A	98.8	Very high	97.9	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.6	-44.5	174.5	0	0	0	0	0	111.6	C106 M107 L108 M113 M114 I343	C106-A110 WeakPolarHBondContact O-CB 3.45Å; C106-A110 PolarHBondContact O-N 3.35Å; M107-A110 PolarHBondContact O-N 3Å; M107-A110 HydrophobicContact SD-CB 4.45Å; L108-A110 PolarHBondContact O-N 3.4Å; A110-M113 PolarHBondContact O-N 2.89Å; A110-M114 PolarHBondContact O-N 3.12Å; A110-I343 HydrophobicContact CB-CB 4.19Å; A110-I343 HydrophobicContact CB-CG2 3.84Å; A110-I343 VanDerWaalsContact O-CG2 3.25Å; A110-I343 WeakPolarHBondContact O-CG2 3.49Å
111	G	98.9	Very high	97.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61.3	-43.1	174.2	0	0	0	0	0	113.3	M107 L108 R109 M113 M114 I115	M107-G111 PolarHBondContact O-N 3.49Å; L108-G111 PolarHBondContact O-N 2.9Å; R109-G111 VanDerWaalsContact C-N 3.34Å; G111-M113 VanDerWaalsContact C-N 3.34Å; G111-M113 PolarHBondContact O-N 3.49Å; G111-M114 PolarHBondContact O-N 2.91Å; G111-I115 PolarHBondContact O-N 2.92Å
112	Q	98.9	Very high	97.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59.8	-43.8	174.4	-65.6	-179.3	-57.3	0	0	111.3	L84 L108 R109 M114 I115 A116 F202 L210 L215	L84-Q112 HydrophobicContact CB-CB 4.45Å; L84-Q112 HydrophobicContact CD1-CB 3.25Å; L84-Q112 HydrophobicContact CD1-CG 4.27Å; L84-Q112 HydrophobicContact CG-CB 4.46Å; L108-Q112 WeakPolarHBondContact O-CG 3.42Å; L108-Q112 PolarHBondContact O-N 2.77Å; R109-Q112 PolarHBondContact O-N 3.15Å; Q112-M114 VanDerWaalsContact C-N 3.33Å; Q112-M114 PolarHBondContact O-N 3.44Å; Q112-I115 PolarHBondContact O-N 3.37Å; Q112-A116 WeakPolarHBondContact O-CB 3.44Å; Q112-A116 PolarHBondContact O-N 2.9Å; Q112-F202 HydrophobicContact CB-CD1 3.81Å; Q112-F202 HydrophobicContact CB-CE1 4.16Å; Q112-F202 HydrophobicContact CG-CD1 4.09Å; Q112-F202 WeakPolarHBondContact O-CE1 3.26Å; Q112-L210 PolarHBondContact NE2-O 3.09Å; Q112-L215 HydrophobicContact CG-CD1 3.6Å
113	M	98.9	Very high	97.9	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-62.2	-38.8	177	-69.9	-173.8	-78.4	0	0	112.6	L82 L84 R109 A110 G111 A116 Q117 Y352 M364 P366	L82-M113 WeakPolarHBondContact O-CG 3.48Å; L84-M113 HydrophobicContact CB-CG 3.83Å; L84-M113 HydrophobicContact CG-CG 4.25Å; L84-M113 PolarHBondContact N-SD 2.83Å; R109-M113 WeakPolarHBondContact O-CG 3.42Å; R109-M113 PolarHBondContact O-N 3.42Å; A110-M113 PolarHBondContact O-N 2.89Å; G111-M113 VanDerWaalsContact C-N 3.34Å; G111-M113 PolarHBondContact O-N 3.49Å; M113-A116 PolarHBondContact O-N 2.96Å; M113-Q117 PolarHBondContact O-N 3.37Å; M113-Y352 HydrophobicContact CB-CD1 3.48Å; M113-Y352 VanDerWaalsContact CB-CD1 3.48Å; M113-Y352 HydrophobicContact CB-CE1 3.93Å; M113-Y352 HydrophobicContact CB-CG 3.99Å; M113-Y352 HydrophobicContact CG-CD1 4.39Å; M113-Y352 HydrophobicContact SD-CD1 4.17Å; M113-M364 HydrophobicContact CE-CB 4.38Å; M113-M364 HydrophobicContact SD-CB 3.84Å; M113-M364 HydrophobicContact SD-SD 4.37Å; M113-P366 HydrophobicContact CE-CB 4.1Å; M113-P366 HydrophobicContact CE-CG 4.45Å
114	M	98.9	Very high	98.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.8	-46.7	175.9	174.4	-180	-86.2	0	0	112	A110 G111 Q112 Q117 A118 L312 I340 G341 I343 Y352 T403	A110-M114 PolarHBondContact O-N 3.12Å; G111-M114 PolarHBondContact O-N 2.91Å; Q112-M114 VanDerWaalsContact C-N 3.33Å; Q112-M114 PolarHBondContact O-N 3.44Å; M114-Q117 PolarHBondContact O-N 2.95Å; M114-A118 PolarHBondContact O-N 2.74Å; M114-L312 HydrophobicContact CG-CD2 4.46Å; M114-L312 HydrophobicContact SD-CD2 3.59Å; M114-L312 VanDerWaalsContact SD-CD2 3.59Å; M114-I340 HydrophobicContact CG-CD1 3.82Å; M114-I340 HydrophobicContact CG-CG1 4.14Å; M114-G341 WeakPolarHBondContact CE-O 3.39Å; M114-I343 HydrophobicContact CB-CG2 3.91Å; M114-I343 HydrophobicContact CE-CB 4.2Å; M114-I343 HydrophobicContact CE-CG1 3.93Å; M114-I343 HydrophobicContact CE-CG2 3.78Å; M114-I343 HydrophobicContact SD-CD1 4.34Å; M114-I343 HydrophobicContact SD-CG1 4.24Å; M114-I343 HydrophobicContact SD-CG2 4.25Å; M114-Y352 HydrophobicContact CB-CD2 4.39Å; M114-Y352 HydrophobicContact CB-CE2 4.04Å; M114-T403 VanDerWaalsContact CE-O 3.31Å; M114-T403 WeakPolarHBondContact CE-O 3.33Å
115	I	98.8	Very high	98.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.3	-41.3	175.7	-62.2	-55.8	0	0	0	110.9	G111 Q112 Q117 A118 L119 F202 L210 L239 I310	G111-I115 PolarHBondContact O-N 2.92Å; Q112-I115 PolarHBondContact O-N 3.37Å; I115-Q117 PolarHBondContact O-N 3Å; I115-A118 WeakPolarHBondContact O-CA 3.43Å; I115-A118 WeakPolarHBondContact O-CB 3.43Å; I115-A118 PolarHBondContact O-N 3.08Å; I115-L119 HydrophobicContact CG2-CD1 4.17Å; I115-L119 HydrophobicContact CG2-CG 4.19Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 2.87Å; I115-F202 HydrophobicContact CB-CE1 4.35Å; I115-F202 HydrophobicContact CB-CZ 4.4Å; I115-F202 HydrophobicContact CG2-CE1 4.34Å; I115-F202 HydrophobicContact CG2-CZ 4.14Å; I115-L210 HydrophobicContact CG2-CD1 3.95Å; I115-L239 HydrophobicContact CD1-CB 4.33Å; I115-L239 HydrophobicContact CD1-CD1 4.18Å; I115-L239 HydrophobicContact CG1-CB 4.14Å; I115-L239 HydrophobicContact CG1-CD1 3.73Å; I115-L239 HydrophobicContact CG1-CD2 3.79Å; I115-L239 HydrophobicContact CG1-CG 4.07Å; I115-I310 HydrophobicContact CD1-CD1 3.99Å; I115-I310 HydrophobicContact CD1-CG2 3.93Å; I115-I310 HydrophobicContact CG2-CD1 4.34Å
116	A	98.8	Very high	98.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-55.7	-41.6	176.5	0	0	0	0	0	111.4	L82 Q112 M113 L119 V120 F202	L82-A116 HydrophobicContact CB-CB 3.94Å; L82-A116 HydrophobicContact CD1-CB 3.87Å; Q112-A116 WeakPolarHBondContact O-CB 3.44Å; Q112-A116 PolarHBondContact O-N 2.9Å; M113-A116 PolarHBondContact O-N 2.96Å; A116-L119 PolarHBondContact O-N 2.93Å; A116-V120 VanDerWaalsContact O-CG2 3.31Å; A116-V120 WeakPolarHBondContact O-CG2 3.46Å; A116-V120 PolarHBondContact O-N 3.12Å; A116-F202 VanDerWaalsContact CA-CZ 3.49Å; A116-F202 HydrophobicContact CB-CD2 4.24Å; A116-F202 HydrophobicContact CB-CE1 4.29Å; A116-F202 HydrophobicContact CB-CE2 3.58Å; A116-F202 HydrophobicContact CB-CZ 3.61Å
117	Q	98.8	Very high	97.9	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.023	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-40.9	174.4	176.1	56.7	25.3	0	0	112.5	L44 M113 M114 I115 L119 V120 L121 I340 Y352	L44-Q117 HydrophobicContact CD1-CG 3.85Å; M113-Q117 PolarHBondContact O-N 3.37Å; M114-Q117 PolarHBondContact O-N 2.95Å; I115-Q117 PolarHBondContact O-N 3Å; Q117-L119 VanDerWaalsContact C-N 3.31Å; Q117-L119 PolarHBondContact O-N 3.17Å; Q117-V120 PolarHBondContact O-N 2.79Å; Q117-L121 WeakPolarHBondContact O-CG 3.17Å; Q117-L121 PolarHBondContact O-N 2.73Å; Q117-I340 HydrophobicContact CG-CB 4.11Å; Q117-I340 HydrophobicContact CG-CG2 4.23Å; Q117-Y352 VanDerWaalsContact CB-OH 3.29Å; Q117-Y352 WeakPolarHBondContact CB-OH 3.15Å; Q117-Y352 WeakPolarHBondContact CG-OH 3.45Å
118	A	98.7	Very high	97.8	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-62	-40.5	175	0	0	0	0	0	112	M114 I115 L121 H122 I310 I340 Y407	M114-A118 PolarHBondContact O-N 2.74Å; I115-A118 WeakPolarHBondContact O-CA 3.43Å; I115-A118 WeakPolarHBondContact O-CB 3.43Å; I115-A118 PolarHBondContact O-N 3.08Å; A118-L121 WeakPolarHBondContact O-CB 2.92Å; A118-L121 PolarHBondContact O-N 3.32Å; A118-H122 PolarHBondContact O-N 2.87Å; A118-I310 HydrophobicContact CB-CD1 3.61Å; A118-I310 HydrophobicContact CB-CG1 3.85Å; A118-I310 HydrophobicContact CB-CG2 4.48Å; A118-I340 HydrophobicContact CB-CD1 3.88Å; A118-I340 HydrophobicContact CB-CG2 4.14Å; A118-Y407 HydrophobicContact CB-CD2 4.21Å
119	L	98.4	Very high	97.7	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-69.7	-37.5	177.3	-58.7	179.9	0	0	0	111.8	I115 A116 Q117 L121 H122 Y123 L198 W201 F202 L210 L251 I254	I115-L119 HydrophobicContact CG2-CD1 4.17Å; I115-L119 HydrophobicContact CG2-CG 4.19Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 2.87Å; A116-L119 PolarHBondContact O-N 2.93Å; Q117-L119 VanDerWaalsContact C-N 3.31Å; Q117-L119 PolarHBondContact O-N 3.17Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.33Å; L119-H122 WeakPolarHBondContact O-CB 3.45Å; L119-H122 PolarHBondContact O-N 3.43Å; L119-H122 VanDerWaalsContact O-N 3.08Å; L119-Y123 HydrophobicContact CB-CD2 4.42Å; L119-Y123 HydrophobicContact CB-CE2 4.26Å; L119-Y123 HydrophobicContact CD2-CE2 4.23Å; L119-Y123 WeakPolarHBondContact O-CD2 3.31Å; L119-Y123 PolarHBondContact O-N 3.06Å; L119-L198 HydrophobicContact CB-CD1 4.43Å; L119-L198 HydrophobicContact CB-CD2 3.48Å; L119-L198 VanDerWaalsContact CB-CD2 3.48Å; L119-L198 HydrophobicContact CD1-CD2 3.98Å; L119-L198 HydrophobicContact CG-CD2 4.34Å; L119-W201 HydrophobicContact CD1-CE3 3.82Å; L119-W201 HydrophobicContact CD1-CZ3 4.05Å; L119-F202 HydrophobicContact CD1-CE2 4Å; L119-F202 HydrophobicContact CD1-CZ 3.78Å; L119-L210 HydrophobicContact CD1-CD1 3.82Å; L119-L251 HydrophobicContact CD1-CD2 3.97Å; L119-L251 HydrophobicContact CD2-CD2 3.81Å; L119-I254 HydrophobicContact CD2-CD1 3.47Å; L119-I254 VanDerWaalsContact CD2-CD1 3.47Å
120	V	98.1	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.9	-45.3	170.7	169.9	0	0	0	0	110.3	L82 A116 Q117 H122 L124 G125 W128 L198	L82-V120 HydrophobicContact CD1-CG2 4.19Å; L82-V120 HydrophobicContact CG-CG2 4.36Å; A116-V120 VanDerWaalsContact O-CG2 3.31Å; A116-V120 WeakPolarHBondContact O-CG2 3.46Å; A116-V120 PolarHBondContact O-N 3.12Å; Q117-V120 PolarHBondContact O-N 2.79Å; V120-H122 VanDerWaalsContact C-N 3.28Å; V120-H122 PolarHBondContact O-N 3.4Å; V120-L124 HydrophobicContact CG1-CB 4.33Å; V120-L124 HydrophobicContact CG1-CD1 4.37Å; V120-L124 HydrophobicContact CG2-CD1 4.41Å; V120-L124 CarbonylContact O-C 3.55Å; V120-L124 WeakPolarHBondContact O-CA 3.37Å; V120-L124 WeakPolarHBondContact O-CB 3.39Å; V120-L124 PolarHBondContact O-N 3.25Å; V120-G125 PolarHBondContact O-N 3.3Å; V120-W128 HydrophobicContact CG1-CE3 4.04Å; V120-W128 HydrophobicContact CG1-CZ3 4.48Å; V120-L198 HydrophobicContact CG2-CD1 3.93Å
121	L	97.3	Very high	97.3	Very high	22 Å²	22	23.4 Å²	23.4	12%	0.115	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-38.4	174.1	-66.9	-179.2	0	0	0	112.7	Q117 A118 L119 G125 R126 I340 Y407	Q117-L121 WeakPolarHBondContact O-CG 3.17Å; Q117-L121 PolarHBondContact O-N 2.73Å; A118-L121 WeakPolarHBondContact O-CB 2.92Å; A118-L121 PolarHBondContact O-N 3.32Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.33Å; L121-G125 WeakPolarHBondContact O-CA 3.42Å; L121-G125 PolarHBondContact O-N 3.08Å; L121-R126 HydrophobicContact CD2-CB 3.56Å; L121-R126 HydrophobicContact CD2-CG 4.14Å; L121-I340 HydrophobicContact CD1-CG2 3.56Å; L121-Y407 HydrophobicContact CB-CD1 3.92Å; L121-Y407 HydrophobicContact CB-CE1 4.15Å; L121-Y407 HydrophobicContact CB-CG 4.47Å; L121-Y407 HydrophobicContact CD1-CD1 4.01Å; L121-Y407 HydrophobicContact CD1-CG 4.25Å
122	H	96.9	Very high	97	Very high	50 Å²	50	26.7 Å²	26.7	23%	0.231	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-49.4	-176.6	-172.7	93.2	0	0	0	113	A118 L119 V120 I254 Y407	A118-H122 PolarHBondContact O-N 2.87Å; L119-H122 WeakPolarHBondContact O-CB 3.45Å; L119-H122 PolarHBondContact O-N 3.43Å; L119-H122 VanDerWaalsContact O-N 3.08Å; V120-H122 VanDerWaalsContact C-N 3.28Å; V120-H122 PolarHBondContact O-N 3.4Å; H122-I254 HydrophobicContact CB-CD1 4.47Å; H122-Y407 HydrophobicContact CB-CE2 4.22Å; H122-Y407 AromaticContact ND1-CZ 3.75Å; H122-Y407 PolarHBondContact ND1-OH 2.77Å
123	Y	96.3	Very high	96.6	Very high	46 Å²	46	26.9 Å²	26.9	18%	0.18	15%	0.146	C	C	.	.	H	α-helix	trans	-97.8	-36.8	-174.3	-56.8	-80.6	0	0	0	114.1	L119 Y194 L198 W201 G250 I254	L119-Y123 HydrophobicContact CB-CD2 4.42Å; L119-Y123 HydrophobicContact CB-CE2 4.26Å; L119-Y123 HydrophobicContact CD2-CE2 4.23Å; L119-Y123 WeakPolarHBondContact O-CD2 3.31Å; L119-Y123 PolarHBondContact O-N 3.06Å; Y123-Y194 HydrophobicContact CD1-CD1 4.01Å; Y123-Y194 AromaticContact CD1-CE1 3.87Å; Y123-Y194 HydrophobicContact CD1-CE1 3.87Å; Y123-Y194 HydrophobicContact CG-CD1 4.15Å; Y123-Y194 HydrophobicContact CG-CE1 4.44Å; Y123-L198 HydrophobicContact CD2-CD1 4.46Å; Y123-L198 HydrophobicContact CD2-CD2 3.75Å; Y123-L198 HydrophobicContact CD2-CG 4.43Å; Y123-L198 HydrophobicContact CE2-CD2 3.9Å; Y123-W201 HydrophobicContact CE2-CH2 4.03Å; Y123-W201 AromaticContact CE2-CZ3 3.82Å; Y123-W201 HydrophobicContact CE2-CZ3 3.82Å; Y123-W201 AromaticContact CZ-CH2 3.92Å; Y123-G250 PolarHBondContact OH-O 2.93Å; Y123-I254 HydrophobicContact CE2-CD1 4.27Å; Y123-I254 WeakPolarHBondContact OH-CD1 3.25Å
124	L	96.6	Very high	96.2	Very high	19 Å²	19	30 Å²	30	10%	0.099	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-21.6	-171.6	-60.6	168.9	0	0	0	112	V120 W128 N191 H195 L198	V120-L124 HydrophobicContact CG1-CB 4.33Å; V120-L124 HydrophobicContact CG1-CD1 4.37Å; V120-L124 HydrophobicContact CG2-CD1 4.41Å; V120-L124 CarbonylContact O-C 3.55Å; V120-L124 WeakPolarHBondContact O-CA 3.37Å; V120-L124 WeakPolarHBondContact O-CB 3.39Å; V120-L124 PolarHBondContact O-N 3.25Å; L124-W128 HydrophobicContact CB-CB 3.73Å; L124-W128 HydrophobicContact CB-CD2 4.03Å; L124-W128 HydrophobicContact CB-CE3 4.49Å; L124-W128 HydrophobicContact CB-CG 3.67Å; L124-W128 HydrophobicContact CD1-CD2 3.74Å; L124-W128 HydrophobicContact CD1-CE3 3.9Å; L124-W128 HydrophobicContact CD1-CG 4.25Å; L124-W128 HydrophobicContact CD1-CH2 4.16Å; L124-W128 HydrophobicContact CD1-CZ2 4.02Å; L124-W128 HydrophobicContact CD1-CZ3 4.1Å; L124-W128 HydrophobicContact CD2-CG 4.38Å; L124-W128 HydrophobicContact CG-CD2 4.33Å; L124-W128 HydrophobicContact CG-CG 4.32Å; L124-W128 WeakPolarHBondContact O-CB 3.23Å; L124-N191 HydrophobicContact CD2-CB 4.08Å; L124-N191 WeakPolarHBondContact CD2-OD1 3.44Å; L124-H195 HydrophobicContact CD1-CB 4.38Å; L124-L198 HydrophobicContact CD1-CD1 3.86Å; L124-L198 HydrophobicContact CG-CD1 4.47Å
125	G	96.1	Very high	95.8	Very high	27 Å²	27	35.1 Å²	35.1	28%	0.278	19%	0.194	S	C	.	.			trans	81.2	167.6	-175.9	0	0	0	0	0	113.5	V120 L121 D127	V120-G125 PolarHBondContact O-N 3.3Å; L121-G125 WeakPolarHBondContact O-CA 3.42Å; L121-G125 PolarHBondContact O-N 3.08Å; G125-D127 VanDerWaalsContact C-N 3.32Å; G125-D127 PolarHBondContact O-N 2.79Å
126	R	95.8	Very high	95.1	Very high	33 Å²	33	36 Å²	36	13%	0.125	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-30.3	-177	-178	59.2	-166.4	88.7	-5.6	112.9	L43 L44 D77 L121	L43-R126 PolarHBondContact O-NH2 2.68Å; L44-R126 PolarHBondContact O-NE 3.43Å; L44-R126 PolarHBondContact O-NH2 3.22Å; D77-R126 VanDerWaalsContact CG-NH1 3.34Å; D77-R126 IonicContact OD1-CZ 2.68Å; D77-R126 IonicContact OD1-NH1 3.77Å; D77-R126 PolarHBondContact OD1-NH1 2.77Å; D77-R126 IonicContact OD1-NH2 2.64Å; D77-R126 IonicContact OD2-CZ 3.34Å; D77-R126 IonicContact OD2-NH1 2.71Å; D77-R126 PolarHBondContact OD2-NH1 2.9Å; D77-R126 VanDerWaalsContact OD2-NH1 3.09Å; D77-R126 IonicContact OD2-NH2 3.5Å; D77-R126 PolarHBondContact OD2-NH2 2.73Å; L121-R126 HydrophobicContact CD2-CB 3.56Å; L121-R126 HydrophobicContact CD2-CG 4.14Å
127	D	95.6	Very high	94.2	Very high	115 Å²	115	40.5 Å²	40.5	62%	0.615	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.4	-176.3	-64.6	-42.8	0	0	0	114.2	K46 G125 C129	K46-D127 WeakPolarHBondContact CE-OD1 3.33Å; K46-D127 IonicContact NZ-OD1 2.63Å; K46-D127 PolarHBondContact NZ-OD1 3.39Å; G125-D127 VanDerWaalsContact C-N 3.32Å; G125-D127 PolarHBondContact O-N 2.79Å; D127-C129 PolarHBondContact O-N 3.09Å
128	W	96.6	Very high	92.9	Very high	25 Å²	25	45.1 Å²	45.1	10%	0.095	26%	0.258	C	S	.	.			trans	-57.7	135.1	178.6	177.1	89.5	0	0	0	111.8	S80 R81 V120 L124 W130 H195	S80-W128 WeakPolarHBondContact O-CZ3 3.45Å; R81-W128 PolarHBondContact NH2-O 3.36Å; V120-W128 HydrophobicContact CG1-CE3 4.04Å; V120-W128 HydrophobicContact CG1-CZ3 4.48Å; L124-W128 HydrophobicContact CB-CB 3.73Å; L124-W128 HydrophobicContact CB-CD2 4.03Å; L124-W128 HydrophobicContact CB-CE3 4.49Å; L124-W128 HydrophobicContact CB-CG 3.67Å; L124-W128 HydrophobicContact CD1-CD2 3.74Å; L124-W128 HydrophobicContact CD1-CE3 3.9Å; L124-W128 HydrophobicContact CD1-CG 4.25Å; L124-W128 HydrophobicContact CD1-CH2 4.16Å; L124-W128 HydrophobicContact CD1-CZ2 4.02Å; L124-W128 HydrophobicContact CD1-CZ3 4.1Å; L124-W128 HydrophobicContact CD2-CG 4.38Å; L124-W128 HydrophobicContact CG-CD2 4.33Å; L124-W128 HydrophobicContact CG-CG 4.32Å; L124-W128 WeakPolarHBondContact O-CB 3.23Å; W128-W130 HydrophobicContact CH2-CB 3.77Å; W128-W130 HydrophobicContact CH2-CG 4.44Å; W128-W130 HydrophobicContact CZ2-CB 4.1Å; W128-W130 HydrophobicContact CZ3-CB 4.39Å; W128-H195 HydrophobicContact CH2-CB 4.28Å; W128-H195 AromaticContact CH2-CD2 3.78Å; W128-H195 AromaticContact CH2-CG 3.77Å; W128-H195 AromaticContact CH2-ND1 3.98Å; W128-H195 HydrophobicContact CZ2-CB 3.92Å; W128-H195 AromaticContact CZ2-CG 3.78Å; W128-H195 AromaticContact CZ2-ND1 3.92Å
129	C	96.3	Very high	91.6	Very high	36 Å²	36	47.1 Å²	47.1	24%	0.243	27%	0.269	C	S	.	.			trans	-130.7	138.2	174	-68.5	0	0	0	0	109.7	K76 S80 D127	K76-C129 HydrophobicContact CD-CB 4.15Å; K76-C129 HydrophobicContact CG-CB 3.99Å; S80-C129 VanDerWaalsContact OG-CA 3.24Å; S80-C129 WeakPolarHBondContact OG-CA 3.36Å; S80-C129 WeakPolarHBondContact OG-CB 3.28Å; D127-C129 PolarHBondContact O-N 3.09Å
130	W	95.8	Very high	89.5	Confident	6 Å²	6	52.5 Å²	52.5	2%	0.023	30%	0.298	C	S	.	.			trans	-68.9	127.7	177.3	-178.3	45.7	0	0	0	110.4	S80 W128 E132 A133 L136 H195 L382 Q383 H386	S80-W130 PolarHBondContact OG-N 2.86Å; W128-W130 HydrophobicContact CH2-CB 3.77Å; W128-W130 HydrophobicContact CH2-CG 4.44Å; W128-W130 HydrophobicContact CZ2-CB 4.1Å; W128-W130 HydrophobicContact CZ3-CB 4.39Å; W130-E132 VanDerWaalsContact C-N 3.3Å; W130-E132 HydrophobicContact CD2-CB 4.09Å; W130-E132 HydrophobicContact CE3-CB 4.25Å; W130-E132 HydrophobicContact CH2-CB 3.62Å; W130-E132 HydrophobicContact CZ2-CB 3.47Å; W130-E132 VanDerWaalsContact CZ2-CB 3.47Å; W130-E132 HydrophobicContact CZ2-CG 4.1Å; W130-E132 HydrophobicContact CZ3-CB 4.01Å; W130-E132 PolarHBondContact O-N 2.83Å; W130-A133 HydrophobicContact CB-CB 4.37Å; W130-A133 HydrophobicContact CE3-CB 4.19Å; W130-A133 WeakPolarHBondContact O-CB 3.48Å; W130-A133 PolarHBondContact O-N 3Å; W130-A133 VanDerWaalsContact O-N 3.08Å; W130-L136 HydrophobicContact CH2-CD2 3.85Å; W130-L136 HydrophobicContact CH2-CG 4.35Å; W130-L136 HydrophobicContact CZ3-CD1 3.87Å; W130-L136 HydrophobicContact CZ3-CD2 3.66Å; W130-L136 HydrophobicContact CZ3-CG 3.71Å; W130-H195 AromaticContact CD1-CE1 3.4Å; W130-H195 AromaticContact CD1-ND1 3.6Å; W130-H195 AromaticContact CG-CE1 3.92Å; W130-H195 AromaticContact NE1-CE1 3.56Å; W130-H195 AromaticContact NE1-ND1 3.91Å; W130-L382 HydrophobicContact CZ2-CB 3.95Å; W130-Q383 HydrophobicContact CH2-CB 4.5Å; W130-Q383 HydrophobicContact CH2-CG 4.13Å; W130-H386 AromaticContact CD2-CD2 3.69Å; W130-H386 AromaticContact CD2-CG 3.98Å; W130-H386 AromaticContact CD2-NE2 3.75Å; W130-H386 HydrophobicContact CE3-CB 3.73Å; W130-H386 AromaticContact CE3-CD2 3.44Å; W130-H386 VanDerWaalsContact CE3-CD2 3.44Å; W130-H386 AromaticContact CE3-CG 3.33Å; W130-H386 AromaticContact CE3-ND1 3.76Å; W130-H386 AromaticContact CE3-NE2 3.9Å; W130-H386 HydrophobicContact CH2-CB 4.4Å; W130-H386 AromaticContact CH2-CD2 3.92Å; W130-H386 HydrophobicContact CZ3-CB 3.53Å; W130-H386 AromaticContact CZ3-CD2 3.58Å; W130-H386 AromaticContact CZ3-CG 3.55Å
131	P	92.5	Very high	86.9	Confident	105 Å²	105	56.5 Å²	56.5	68%	0.682	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-36.2	-174.5	-30	37.2	0	0	0	114.8	A133	P131-A133 VanDerWaalsContact C-N 3.31Å; P131-A133 PolarHBondContact O-N 3.15Å
132	E	92.3	Very high	84.1	Confident	69 Å²	69	62.6 Å²	62.6	32%	0.322	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	5.7	-179.4	-65.1	170.5	-115	0	0	113.5	W130 L134 T135 L136 Q383	W130-E132 VanDerWaalsContact C-N 3.3Å; W130-E132 HydrophobicContact CD2-CB 4.09Å; W130-E132 HydrophobicContact CE3-CB 4.25Å; W130-E132 HydrophobicContact CH2-CB 3.62Å; W130-E132 HydrophobicContact CZ2-CB 3.47Å; W130-E132 VanDerWaalsContact CZ2-CB 3.47Å; W130-E132 HydrophobicContact CZ2-CG 4.1Å; W130-E132 HydrophobicContact CZ3-CB 4.01Å; W130-E132 PolarHBondContact O-N 2.83Å; E132-L134 PolarHBondContact O-N 2.98Å; E132-L134 VanDerWaalsContact O-N 3.15Å; E132-T135 WeakPolarHBondContact CA-OG1 3.48Å; E132-T135 WeakPolarHBondContact CB-OG1 3.4Å; E132-T135 PolarHBondContact O-N 3.47Å; E132-T135 PolarHBondContact O-OG1 3.34Å; E132-L136 PolarHBondContact O-N 2.91Å; E132-Q383 PolarHBondContact OE2-NE2 2.98Å
133	A	91.8	Very high	81.4	Confident	3 Å²	3	63.9 Å²	63.9	3%	0.025	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-37	-174.3	0	0	0	0	0	113.4	K76 A79 W130 P131	K76-A133 HydrophobicContact CG-CB 4.27Å; A79-A133 HydrophobicContact CB-CB 3.92Å; W130-A133 HydrophobicContact CB-CB 4.37Å; W130-A133 HydrophobicContact CE3-CB 4.19Å; W130-A133 WeakPolarHBondContact O-CB 3.48Å; W130-A133 PolarHBondContact O-N 3Å; W130-A133 VanDerWaalsContact O-N 3.08Å; P131-A133 VanDerWaalsContact C-N 3.31Å; P131-A133 PolarHBondContact O-N 3.15Å
134	L	89.6	Confident	78.9	Confident	68 Å²	68	65.2 Å²	65.2	36%	0.356	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-13.3	179.8	-62.7	-179	0	0	0	113.6	E72 R75 K76 E132	E72-L134 HydrophobicContact CG-CD1 3.81Å; E72-L134 WeakPolarHBondContact OE1-CD1 3.3Å; R75-L134 HydrophobicContact CB-CD2 4.07Å; K76-L134 HydrophobicContact CB-CD1 4.31Å; K76-L134 HydrophobicContact CB-CD2 4.01Å; K76-L134 HydrophobicContact CB-CG 4.13Å; K76-L134 HydrophobicContact CD-CD1 4.42Å; K76-L134 HydrophobicContact CG-CD1 4.46Å; K76-L134 HydrophobicContact CG-CG 4.24Å; E132-L134 PolarHBondContact O-N 2.98Å; E132-L134 VanDerWaalsContact O-N 3.15Å
135	T	90.1	Very high	76.3	Confident	106 Å²	106	69.1 Å²	69.1	65%	0.65	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.6	177.9	59.1	0	0	0	0	112.7	E132	E132-T135 WeakPolarHBondContact CA-OG1 3.48Å; E132-T135 WeakPolarHBondContact CB-OG1 3.4Å; E132-T135 PolarHBondContact O-N 3.47Å; E132-T135 PolarHBondContact O-OG1 3.34Å
136	L	85.9	Confident	73.8	Confident	20 Å²	20	70.8 Å²	70.8	11%	0.105	40%	0.398	C	S	.	.	S	Bend	trans	-59.1	133.4	176.5	-75.5	177.1	0	0	0	111.5	A79 W130 E132 Q383 H386 P388	A79-L136 HydrophobicContact CB-CD1 4.37Å; W130-L136 HydrophobicContact CH2-CD2 3.85Å; W130-L136 HydrophobicContact CH2-CG 4.35Å; W130-L136 HydrophobicContact CZ3-CD1 3.87Å; W130-L136 HydrophobicContact CZ3-CD2 3.66Å; W130-L136 HydrophobicContact CZ3-CG 3.71Å; E132-L136 PolarHBondContact O-N 2.91Å; L136-Q383 HydrophobicContact CD2-CB 3.94Å; L136-Q383 HydrophobicContact CD2-CG 4.19Å; L136-H386 HydrophobicContact CD1-CB 3.77Å; L136-P388 HydrophobicContact CB-CB 3.74Å; L136-P388 HydrophobicContact CB-CG 4.36Å; L136-P388 HydrophobicContact CD1-CB 3.93Å; L136-P388 HydrophobicContact CD1-CG 4.43Å
137	P	78.6	Confident	71.3	Confident	94 Å²	94	71.9 Å²	71.9	61%	0.61	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-63.7	142.8	173	28	-33.2	0	0	0	109.5	P388	P137-P388 WeakPolarHBondContact O-CG 3.39Å
138	P	72.7	Confident	69	Low	101 Å²	101	69.4 Å²	69.4	66%	0.656	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-52.2	145	168.5	-23.9	33.3	0	0	0	110.5	D140	P138-D140 PolarHBondContact O-N 2.81Å
139	L	69.9	Low	66.4	Low	44 Å²	44	70.7 Å²	70.7	23%	0.23	42%	0.421	C	S	.	.			trans	-70.1	74	172.9	-68.5	170.2	0	0	0	109.3	W83 Y368 P388	W83-L139 HydrophobicContact CH2-CD1 3.81Å; W83-L139 HydrophobicContact CH2-CD2 4.07Å; W83-L139 HydrophobicContact CZ2-CD1 4.46Å; W83-L139 HydrophobicContact CZ3-CD1 4.35Å; W83-L139 HydrophobicContact CZ3-CD2 4.17Å; L139-Y368 HydrophobicContact CD1-CE1 3.87Å; L139-P388 HydrophobicContact CD1-CG 4.25Å; L139-P388 HydrophobicContact CD2-CG 4.38Å; L139-P388 HydrophobicContact CG-CG 3.74Å
140	D	54.4	Low	64	Low	114 Å²	114	75.1 Å²	75.1	61%	0.61	44%	0.436	S	S	*	.			trans	-89.2	145.4	178.7	-146.2	-8.5	0	0	0	111.9	P138 E142	P138-D140 PolarHBondContact O-N 2.81Å; D140-E142 PolarHBondContact O-N 3.37Å
141	V	43.8	Very low	62.1	Low	84 Å²	84	80.3 Å²	80.3	51%	0.509	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.2	-166	176.8	0	0	0	0	112.5	L29	L29-V141 HydrophobicContact CB-CG2 4.27Å
142	E	38.1	Very low	59.9	Low	150 Å²	150	82.3 Å²	82.3	70%	0.701	45%	0.453	S	S	*	.	H	α-helix	trans	-83.9	-15.6	-172.7	-81.4	-178.5	152.1	0	0	115.4	D140 R144 T146	D140-E142 PolarHBondContact O-N 3.37Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 3.02Å; E142-T146 PolarHBondContact O-OG1 3.47Å
143	S	40.8	Very low	58	Low	77 Å²	77	82.9 Å²	82.9	54%	0.538	46%	0.462	S	S	.	.	H	α-helix	trans	-76	-18.8	-176.7	-178.1	0	0	0	0	113.9	T146 T147	S143-T146 PolarHBondContact O-OG1 3.06Å; S143-T147 WeakPolarHBondContact O-CB 3.35Å; S143-T147 PolarHBondContact O-N 3.01Å; S143-T147 PolarHBondContact O-OG1 3.16Å
144	R	43.8	Very low	56	Low	74 Å²	74	86.7 Å²	86.7	28%	0.279	49%	0.485	S	S	.	.	H	α-helix	trans	-98.1	-41.9	-172.4	-69.2	-172.9	-179.3	-172.8	-0.3	113.8	E142 T146 T147 A148 C369	E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 3.02Å; R144-T146 VanDerWaalsContact C-N 3.26Å; R144-T146 PolarHBondContact O-N 3.11Å; R144-T147 PolarHBondContact O-N 3.11Å; R144-T147 VanDerWaalsContact O-N 3.12Å; R144-A148 PolarHBondContact O-N 3.18Å; R144-C369 PolarHBondContact NH1-O 3.04Å
145	T	42.3	Very low	54.1	Low	101 Å²	101	87.3 Å²	87.3	62%	0.62	50%	0.495	S	S	*	.	H	α-helix	trans	-61.4	-38.3	169.6	35.4	0	0	0	0	110.7	A149	T145-A149 WeakPolarHBondContact O-CB 3.44Å; T145-A149 PolarHBondContact O-N 3.5Å
146	T	42.4	Very low	51.8	Low	61 Å²	61	87.4 Å²	87.4	37%	0.374	49%	0.489	S	S	.	.	H	α-helix	trans	-69.8	-31.7	171.8	41.8	0	0	0	0	113.3	E142 S143 R144 K150	E142-T146 PolarHBondContact O-OG1 3.47Å; S143-T146 PolarHBondContact O-OG1 3.06Å; R144-T146 VanDerWaalsContact C-N 3.26Å; R144-T146 PolarHBondContact O-N 3.11Å; T146-K150 WeakPolarHBondContact O-CA 3.47Å; T146-K150 WeakPolarHBondContact O-CB 3.4Å; T146-K150 WeakPolarHBondContact O-CD 3.37Å; T146-K150 WeakPolarHBondContact O-CG 3.21Å; T146-K150 PolarHBondContact O-N 3.1Å
147	T	44.1	Very low	49.9	Very low	56 Å²	56	90.7 Å²	90.7	34%	0.344	50%	0.504	S	S	.	.	H	α-helix	trans	-75.4	-38.5	178.7	-58.4	0	0	0	0	112.1	S143 R144 R151	S143-T147 WeakPolarHBondContact O-CB 3.35Å; S143-T147 PolarHBondContact O-N 3.01Å; S143-T147 PolarHBondContact O-OG1 3.16Å; R144-T147 PolarHBondContact O-N 3.11Å; R144-T147 VanDerWaalsContact O-N 3.12Å; T147-R151 VanDerWaalsContact O-CB 3.31Å; T147-R151 WeakPolarHBondContact O-CB 3.5Å; T147-R151 WeakPolarHBondContact O-CG 3.34Å; T147-R151 PolarHBondContact O-N 3.34Å
148	A	46.8	Very low	48.2	Very low	64 Å²	64	89.8 Å²	89.8	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-68	-42.9	171.9	0	0	0	0	0	111.9	R144 R151 F152	R144-A148 PolarHBondContact O-N 3.18Å; A148-R151 PolarHBondContact O-N 3.4Å; A148-F152 PolarHBondContact O-N 3.02Å
149	A	42.6	Very low	46.9	Very low	52 Å²	52	90 Å²	90	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-68.7	-39.8	175	0	0	0	0	0	112.3	T145 R151 F152 V153	T145-A149 WeakPolarHBondContact O-CB 3.44Å; T145-A149 PolarHBondContact O-N 3.5Å; A149-R151 VanDerWaalsContact C-N 3.34Å; A149-F152 WeakPolarHBondContact O-CB 3.34Å; A149-F152 PolarHBondContact O-N 3.46Å; A149-V153 WeakPolarHBondContact O-CB 3.31Å; A149-V153 VanDerWaalsContact O-CG2 3.27Å; A149-V153 WeakPolarHBondContact O-CG2 3.49Å; A149-V153 PolarHBondContact O-N 3.28Å
150	K	45.8	Very low	45.9	Very low	128 Å²	128	94.5 Å²	94.5	56%	0.557	53%	0.532	S	S	*	.	H	α-helix	trans	-64.5	-37.8	172.1	-75.8	166.9	-178.1	176.3	0	110.2	T146 F152 V153 T154	T146-K150 WeakPolarHBondContact O-CA 3.47Å; T146-K150 WeakPolarHBondContact O-CB 3.4Å; T146-K150 WeakPolarHBondContact O-CD 3.37Å; T146-K150 WeakPolarHBondContact O-CG 3.21Å; T146-K150 PolarHBondContact O-N 3.1Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-F152 PolarHBondContact O-N 2.91Å; K150-V153 PolarHBondContact O-N 3.21Å; K150-T154 WeakPolarHBondContact O-CA 3.46Å; K150-T154 WeakPolarHBondContact O-CB 3.29Å; K150-T154 PolarHBondContact O-N 3.3Å; K150-T154 PolarHBondContact O-OG1 2.89Å
151	R	55.5	Low	45.1	Very low	116 Å²	116	95.4 Å²	95.4	44%	0.438	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-38.3	172.6	-79.4	175.6	-173.6	164.3	4.1	112.3	T147 A148 A149 S155 S371	T147-R151 VanDerWaalsContact O-CB 3.31Å; T147-R151 WeakPolarHBondContact O-CB 3.5Å; T147-R151 WeakPolarHBondContact O-CG 3.34Å; T147-R151 PolarHBondContact O-N 3.34Å; A148-R151 PolarHBondContact O-N 3.4Å; A149-R151 VanDerWaalsContact C-N 3.34Å; R151-S155 WeakPolarHBondContact O-CB 3.39Å; R151-S155 PolarHBondContact O-N 2.61Å; R151-S371 VanDerWaalsContact CZ-OG 3.27Å; R151-S371 PolarHBondContact NH1-OG 3.3Å; R151-S371 PolarHBondContact NH2-OG 2.97Å
152	F	47	Very low	44.7	Very low	146 Å²	146	96.4 Å²	96.4	64%	0.64	54%	0.543	S	S	*	.	H	α-helix	trans	-64.9	-46.9	174	-164.7	-94.3	0	0	0	111.4	A148 A149 K150 S155 M156	A148-F152 PolarHBondContact O-N 3.02Å; A149-F152 WeakPolarHBondContact O-CB 3.34Å; A149-F152 PolarHBondContact O-N 3.46Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-F152 PolarHBondContact O-N 2.91Å; F152-S155 PolarHBondContact O-N 3.24Å; F152-M156 HydrophobicContact CD1-CG 4.48Å; F152-M156 HydrophobicContact CD1-SD 3.94Å; F152-M156 HydrophobicContact CE1-CG 4.36Å; F152-M156 HydrophobicContact CE1-SD 3.52Å; F152-M156 VanDerWaalsContact CE1-SD 3.52Å; F152-M156 HydrophobicContact CZ-SD 4.36Å; F152-M156 WeakPolarHBondContact O-CB 3.34Å; F152-M156 WeakPolarHBondContact O-CG 3.2Å; F152-M156 PolarHBondContact O-N 2.97Å
153	V	51.5	Low	44.3	Very low	82 Å²	82	95.8 Å²	95.8	50%	0.497	55%	0.55	S	S	.	.	H	α-helix	trans	-66.7	-41.9	177.6	173.7	0	0	0	0	111.5	A149 K150 M156 Q157	A149-V153 WeakPolarHBondContact O-CB 3.31Å; A149-V153 VanDerWaalsContact O-CG2 3.27Å; A149-V153 WeakPolarHBondContact O-CG2 3.49Å; A149-V153 PolarHBondContact O-N 3.28Å; K150-V153 PolarHBondContact O-N 3.21Å; V153-M156 CarbonylContact O-C 3.58Å; V153-M156 PolarHBondContact O-N 2.92Å; V153-Q157 WeakPolarHBondContact O-CB 3.37Å; V153-Q157 PolarHBondContact O-N 3.45Å
154	T	51	Low	43.6	Very low	83 Å²	83	97.3 Å²	97.3	51%	0.509	56%	0.56	S	S	.	*	H	α-helix	trans	-70.1	-34	176.8	-58.6	0	0	0	0	111.5	K150 Q157 A158	K150-T154 WeakPolarHBondContact O-CA 3.46Å; K150-T154 WeakPolarHBondContact O-CB 3.29Å; K150-T154 PolarHBondContact O-N 3.3Å; K150-T154 PolarHBondContact O-OG1 2.89Å; T154-Q157 PolarHBondContact O-N 3.25Å; T154-A158 WeakPolarHBondContact O-CB 3.4Å; T154-A158 PolarHBondContact O-N 3.29Å
155	S	49	Very low	42.9	Very low	81 Å²	81	105.7 Å²	105.7	57%	0.566	59%	0.592	S	S	*	*	H	α-helix	trans	-68.2	-36.7	171.5	175.7	0	0	0	0	111.7	R151 F152 S159	R151-S155 WeakPolarHBondContact O-CB 3.39Å; R151-S155 PolarHBondContact O-N 2.61Å; F152-S155 PolarHBondContact O-N 3.24Å; S155-S159 PolarHBondContact O-N 3.43Å
156	M	41.4	Very low	42.2	Very low	107 Å²	107	108.4 Å²	108.4	53%	0.527	60%	0.601	S	S	.	*	H	α-helix	trans	-70.9	-37.5	171.7	-74.1	-172.4	71.7	0	0	112.4	F152 V153 S159 L160	F152-M156 HydrophobicContact CD1-CG 4.48Å; F152-M156 HydrophobicContact CD1-SD 3.94Å; F152-M156 HydrophobicContact CE1-CG 4.36Å; F152-M156 HydrophobicContact CE1-SD 3.52Å; F152-M156 VanDerWaalsContact CE1-SD 3.52Å; F152-M156 HydrophobicContact CZ-SD 4.36Å; F152-M156 WeakPolarHBondContact O-CB 3.34Å; F152-M156 WeakPolarHBondContact O-CG 3.2Å; F152-M156 PolarHBondContact O-N 2.97Å; V153-M156 CarbonylContact O-C 3.58Å; V153-M156 PolarHBondContact O-N 2.92Å; M156-S159 PolarHBondContact O-N 3.34Å; M156-L160 WeakPolarHBondContact O-CG 3.18Å
157	Q	46.2	Very low	41.6	Very low	89 Å²	89	110.6 Å²	110.6	42%	0.416	62%	0.619	S	S	.	*	H	α-helix	trans	-76.7	-32.5	-178.8	-169.2	172.8	-15	0	0	112	V153 T154 S159 L160 Q161	V153-Q157 WeakPolarHBondContact O-CB 3.37Å; V153-Q157 PolarHBondContact O-N 3.45Å; T154-Q157 PolarHBondContact O-N 3.25Å; Q157-S159 VanDerWaalsContact C-N 3.29Å; Q157-S159 PolarHBondContact O-N 2.93Å; Q157-L160 CarbonylContact O-C 3.58Å; Q157-L160 PolarHBondContact O-N 3.42Å; Q157-Q161 VanDerWaalsContact NE2-OE1 3.14Å; Q157-Q161 PolarHBondContact O-N 2.87Å; Q157-Q161 VanDerWaalsContact O-N 3.1Å
158	A	43.6	Very low	40.7	Very low	75 Å²	75	117.3 Å²	117.3	62%	0.62	65%	0.646	S	S	*	*	H	α-helix	trans	-68.7	-26.2	171.9	0	0	0	0	0	112.6	T154 L160	T154-A158 WeakPolarHBondContact O-CB 3.4Å; T154-A158 PolarHBondContact O-N 3.29Å; A158-L160 PolarHBondContact O-N 3Å
159	S	44.4	Very low	39.8	Very low	105 Å²	105	119.7 Å²	119.7	73%	0.734	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-9.7	167.8	-77.5	0	0	0	0	113.6	S155 M156 Q157	S155-S159 PolarHBondContact O-N 3.43Å; M156-S159 PolarHBondContact O-N 3.34Å; Q157-S159 VanDerWaalsContact C-N 3.29Å; Q157-S159 PolarHBondContact O-N 2.93Å
160	L	49.1	Very low	39.1	Very low	140 Å²	140	129.2 Å²	129.2	73%	0.733	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	-5.9	-171.9	-72.5	170.9	0	0	0	114.8	M156 Q157 A158	M156-L160 WeakPolarHBondContact O-CG 3.18Å; Q157-L160 CarbonylContact O-C 3.58Å; Q157-L160 PolarHBondContact O-N 3.42Å; A158-L160 PolarHBondContact O-N 3Å
161	Q	38.2	Very low	38.2	Very low	133 Å²	133	128.1 Å²	128.1	62%	0.621	70%	0.699	S	S	*	*			trans	-130.8	90.4	-176.9	-69	179.5	-13.5	0	0	111	Q157	Q157-Q161 VanDerWaalsContact NE2-OE1 3.14Å; Q157-Q161 PolarHBondContact O-N 2.87Å; Q157-Q161 VanDerWaalsContact O-N 3.1Å
162	S	34.2	Very low	36.9	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	72%	0.717	S	S	*	*			trans	-83.9	146.9	151.2	76.8	0	0	0	0	109
163	T	29.7	Very low	36	Very low	137 Å²	137	130 Å²	130	84%	0.84	73%	0.732	S	S	*	*			trans	101.6	120.8	165.8	71.1	0	0	0	0	120.1
164	S	27.3	Very low	35	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	75%	0.746	S	S	*	*			trans	81	115.1	148.8	-146.8	0	0	0	0	120.8
165	R	28.7	Very low	34.2	Very low	250 Å²	250	132.8 Å²	132.8	94%	0.943	76%	0.762	S	S	*	*			trans	-133.6	128	152.8	-72.9	-169.4	-171.6	-173.9	3.5	109.7
166	I	27.6	Very low	33.6	Very low	159 Å²	159	138.3 Å²	138.3	82%	0.815	78%	0.779	S	S	*	*			trans	-90.4	142.2	169	-68.5	172.6	0	0	0	108.1
167	S	29.1	Very low	33.4	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	79%	0.786	S	S	*	*			trans	-85.6	148.5	179.9	87.8	0	0	0	0	111.4
168	E	26.3	Very low	33	Very low	197 Å²	197	139.1 Å²	139.1	92%	0.921	80%	0.795	S	S	*	*			trans	-153.6	127.6	150.5	-113.1	171.2	-153.8	0	0	111
169	S	27.9	Very low	33	Very low	114 Å²	114	142 Å²	142	80%	0.797	81%	0.805	S	S	*	*			trans	-103.5	144.5	176.3	66.2	0	0	0	0	110.3
170	R	26.8	Very low	32.8	Very low	251 Å²	251	145 Å²	145	95%	0.947	81%	0.812	S	S	*	*			trans	-148.3	124.1	155	-113.9	176.7	-174.4	-179.6	1.9	111.5
171	A	28.1	Very low	32.8	Very low	105 Å²	105	138.8 Å²	138.8	87%	0.868	78%	0.781	S	S	*	*			trans	-83.8	151.7	173.2	0	0	0	0	0	111
172	S	26.8	Very low	33.7	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	78%	0.78	S	S	*	*			trans	-140.5	135.2	168.7	47.7	0	0	0	0	111.1
173	L	28.2	Very low	35.1	Very low	182 Å²	182	137.6 Å²	137.6	95%	0.953	78%	0.775	S	S	*	*			trans	-75.2	148	-171	-67.2	132.8	0	0	0	113.3
174	A	31.7	Very low	36.9	Very low	95 Å²	95	138.2 Å²	138.2	79%	0.785	77%	0.769	S	S	*	*			trans	-108.8	146.2	170.2	0	0	0	0	0	111.2
175	P	33.6	Very low	39	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	75%	0.753	S	S	*	*			trans	-100	145	163.8	27	-12.5	0	0	0	112.7
176	Q	35.9	Very low	41.2	Very low	197 Å²	197	128 Å²	128	92%	0.921	73%	0.728	S	S	*	*			trans	-71.7	141.6	-172.5	-64.8	156.6	-30.4	0	0	114
177	A	37.9	Very low	43.7	Very low	83 Å²	83	124.6 Å²	124.6	69%	0.686	71%	0.712	S	S	*	*			trans	-166.3	120.4	143.5	0	0	0	0	0	108.3
178	Q	38.7	Very low	46.3	Very low	131 Å²	131	123.4 Å²	123.4	61%	0.612	70%	0.7	S	S	*	*			trans	171.7	120.1	150.3	-95.3	141.6	-6.8	0	0	110.8	F182 E185	Q178-F182 WeakPolarHBondContact O-CD2 3.17Å; Q178-F182 WeakPolarHBondContact O-CE2 3.18Å; Q178-E185 PolarHBondContact OE1-OE1 3.47Å
179	V	41.9	Very low	49.1	Very low	134 Å²	134	119.8 Å²	119.8	81%	0.812	68%	0.683	S	S	*	*	S	Bend	trans	-110.4	-11.1	162.4	177.7	0	0	0	0	110.9	F182	V179-F182 HydrophobicContact CG2-CE2 4.46Å
180	L	40.5	Very low	52	Low	170 Å²	170	118.3 Å²	118.3	89%	0.89	67%	0.666	S	S	*	*	S	Bend	trans	-87.9	-19.1	168.9	-105.8	95.6	0	0	0	114
181	G	50.2	Low	55.1	Low	8 Å²	8	107.9 Å²	107.9	8%	0.082	63%	0.629	C	S	.	*	H	α-helix	trans	-77	-23.3	-177	0	0	0	0	0	114.4	A183 E184 E185	G181-A183 VanDerWaalsContact C-N 3.34Å; G181-A183 PolarHBondContact O-N 3.28Å; G181-E184 PolarHBondContact O-N 2.96Å; G181-E185 WeakPolarHBondContact O-CB 3.45Å; G181-E185 WeakPolarHBondContact O-CG 3.22Å; G181-E185 PolarHBondContact O-N 2.86Å
182	F	57.3	Low	58.1	Low	135 Å²	135	107 Å²	107	59%	0.592	61%	0.607	S	S	*	*	H	α-helix	trans	-61.3	-34.8	-170.2	-76	-74.1	0	0	0	114.9	Q178 V179 A186	Q178-F182 WeakPolarHBondContact O-CD2 3.17Å; Q178-F182 WeakPolarHBondContact O-CE2 3.18Å; V179-F182 HydrophobicContact CG2-CE2 4.46Å; F182-A186 WeakPolarHBondContact O-CB 3.45Å; F182-A186 PolarHBondContact O-N 2.91Å
183	A	62.1	Low	61.2	Low	78 Å²	78	106 Å²	106	65%	0.645	59%	0.589	S	S	*	*	H	α-helix	trans	-77.9	-42.9	-178	0	0	0	0	0	112.2	G181 A186 D187	G181-A183 VanDerWaalsContact C-N 3.34Å; G181-A183 PolarHBondContact O-N 3.28Å; A183-A186 PolarHBondContact O-N 2.9Å; A183-D187 PolarHBondContact O-N 2.94Å
184	E	67.8	Low	64.3	Low	151 Å²	151	102.2 Å²	102.2	71%	0.706	56%	0.563	S	S	*	*	H	α-helix	trans	-69.2	-38.2	174.3	-70.3	-173.5	159.4	0	0	111.5	G181 D187 T188	G181-E184 PolarHBondContact O-N 2.96Å; E184-D187 PolarHBondContact O-N 3Å; E184-T188 WeakPolarHBondContact O-CB 3.49Å; E184-T188 VanDerWaalsContact O-CG2 3.25Å; E184-T188 WeakPolarHBondContact O-CG2 3.42Å; E184-T188 PolarHBondContact O-N 3.25Å; E184-T188 PolarHBondContact O-OG1 2.82Å
185	E	72.1	Confident	67.4	Low	92 Å²	92	97.7 Å²	97.7	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-65.8	-38.5	173.8	-73.6	169.6	-164.8	0	0	112	Q178 G181 T188 H189	Q178-E185 PolarHBondContact OE1-OE1 3.47Å; G181-E185 WeakPolarHBondContact O-CB 3.45Å; G181-E185 WeakPolarHBondContact O-CG 3.22Å; G181-E185 PolarHBondContact O-N 2.86Å; E185-T188 VanDerWaalsContact CA-OG1 3.28Å; E185-T188 WeakPolarHBondContact CA-OG1 3.36Å; E185-T188 PolarHBondContact O-OG1 2.92Å; E185-H189 WeakPolarHBondContact O-CB 3.49Å; E185-H189 PolarHBondContact O-N 2.49Å
186	A	74.7	Confident	70.4	Confident	50 Å²	50	93.7 Å²	93.7	41%	0.413	49%	0.494	S	S	.	.	H	α-helix	trans	-66.9	-42.9	174.7	0	0	0	0	0	112	F182 A183 H189 L190	F182-A186 WeakPolarHBondContact O-CB 3.45Å; F182-A186 PolarHBondContact O-N 2.91Å; A183-A186 PolarHBondContact O-N 2.9Å; A186-H189 PolarHBondContact O-N 3.2Å; A186-L190 WeakPolarHBondContact O-CB 3.32Å; A186-L190 VanDerWaalsContact O-CG 3.28Å; A186-L190 WeakPolarHBondContact O-CG 3.3Å; A186-L190 PolarHBondContact O-N 2.88Å
187	D	80.6	Confident	73.2	Confident	88 Å²	88	87.5 Å²	87.5	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-64.5	-42.7	177.2	-174.6	70	0	0	0	111.9	A183 E184 H189 L190 N191	A183-D187 PolarHBondContact O-N 2.94Å; E184-D187 PolarHBondContact O-N 3Å; D187-H189 PolarHBondContact O-N 2.79Å; D187-L190 PolarHBondContact O-N 2.84Å; D187-N191 WeakPolarHBondContact O-CB 3.26Å; D187-N191 VanDerWaalsContact O-CG 3.27Å; D187-N191 PolarHBondContact O-N 3.24Å; D187-N191 PolarHBondContact O-ND2 3.28Å; D187-N191 VanDerWaalsContact O-ND2 3.12Å; D187-N191 PolarHBondContact OD2-ND2 2.84Å
188	T	83.4	Confident	76	Confident	83 Å²	83	83.6 Å²	83.6	51%	0.509	44%	0.435	S	S	.	.	H	α-helix	trans	-63.8	-40.6	175.7	51.4	0	0	0	0	112.4	E184 E185 N191 E192	E184-T188 WeakPolarHBondContact O-CB 3.49Å; E184-T188 VanDerWaalsContact O-CG2 3.25Å; E184-T188 WeakPolarHBondContact O-CG2 3.42Å; E184-T188 PolarHBondContact O-N 3.25Å; E184-T188 PolarHBondContact O-OG1 2.82Å; E185-T188 VanDerWaalsContact CA-OG1 3.28Å; E185-T188 WeakPolarHBondContact CA-OG1 3.36Å; E185-T188 PolarHBondContact O-OG1 2.92Å; T188-N191 PolarHBondContact O-N 3.22Å; T188-E192 PolarHBondContact O-N 2.83Å
189	H	85.9	Confident	78.8	Confident	120 Å²	120	77.4 Å²	77.4	56%	0.556	41%	0.406	S	S	*	.	H	α-helix	trans	-63.7	-45.3	175	-176.6	-81.8	0	0	0	112.1	E185 A186 D187 N191 E192 E193	E185-H189 WeakPolarHBondContact O-CB 3.49Å; E185-H189 PolarHBondContact O-N 2.49Å; A186-H189 PolarHBondContact O-N 3.2Å; D187-H189 PolarHBondContact O-N 2.79Å; H189-N191 VanDerWaalsContact C-N 3.35Å; H189-N191 PolarHBondContact O-N 3.29Å; H189-E192 PolarHBondContact O-N 2.93Å; H189-E193 PolarHBondContact O-N 3.32Å
190	L	88.6	Confident	81.5	Confident	83 Å²	83	72.5 Å²	72.5	44%	0.435	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-43.3	176	-73.3	168.6	0	0	0	111.6	A186 D187 E192 E193 Y194	A186-L190 WeakPolarHBondContact O-CB 3.32Å; A186-L190 VanDerWaalsContact O-CG 3.28Å; A186-L190 WeakPolarHBondContact O-CG 3.3Å; A186-L190 PolarHBondContact O-N 2.88Å; D187-L190 PolarHBondContact O-N 2.84Å; L190-E192 VanDerWaalsContact C-N 3.33Å; L190-E192 PolarHBondContact O-N 3.14Å; L190-E193 PolarHBondContact O-N 3.49Å; L190-Y194 WeakPolarHBondContact O-CD2 3.27Å; L190-Y194 PolarHBondContact O-N 3.5Å
191	N	91.3	Very high	84.2	Confident	32 Å²	32	65.5 Å²	65.5	17%	0.171	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-38.3	176.1	-77.6	-36.4	0	0	0	112.3	L124 D187 T188 H189 H195	L124-N191 HydrophobicContact CD2-CB 4.08Å; L124-N191 WeakPolarHBondContact CD2-OD1 3.44Å; D187-N191 WeakPolarHBondContact O-CB 3.26Å; D187-N191 VanDerWaalsContact O-CG 3.27Å; D187-N191 PolarHBondContact O-N 3.24Å; D187-N191 PolarHBondContact O-ND2 3.28Å; D187-N191 VanDerWaalsContact O-ND2 3.12Å; D187-N191 PolarHBondContact OD2-ND2 2.84Å; T188-N191 PolarHBondContact O-N 3.22Å; H189-N191 VanDerWaalsContact C-N 3.35Å; H189-N191 PolarHBondContact O-N 3.29Å; N191-H195 WeakPolarHBondContact O-CB 3.25Å; N191-H195 PolarHBondContact O-N 2.8Å
192	E	91.1	Very high	86.5	Confident	87 Å²	87	65.1 Å²	65.1	41%	0.407	34%	0.335	S	S	.	.	H	α-helix	trans	-65.7	-42.6	174	-172.9	176.6	173.4	0	0	111.7	T188 H189 L190 H195 R196	T188-E192 PolarHBondContact O-N 2.83Å; H189-E192 PolarHBondContact O-N 2.93Å; L190-E192 VanDerWaalsContact C-N 3.33Å; L190-E192 PolarHBondContact O-N 3.14Å; E192-H195 PolarHBondContact O-N 3.25Å; E192-R196 WeakPolarHBondContact O-CG 3.3Å; E192-R196 PolarHBondContact O-N 3.05Å; E192-R196 IonicContact OE1-CZ 2.7Å; E192-R196 VanDerWaalsContact OE1-CZ 3.32Å; E192-R196 IonicContact OE1-NE 3.14Å; E192-R196 PolarHBondContact OE1-NE 3.19Å; E192-R196 IonicContact OE1-NH2 2.71Å; E192-R196 PolarHBondContact OE1-NH2 2.98Å
193	E	91.5	Very high	88.4	Confident	99 Å²	99	58.7 Å²	58.7	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-49.1	177	-172.3	179.5	172.1	0	0	111.4	H189 L190 H195 R196 N197	H189-E193 PolarHBondContact O-N 3.32Å; L190-E193 PolarHBondContact O-N 3.49Å; E193-H195 VanDerWaalsContact C-N 3.33Å; E193-H195 PolarHBondContact O-N 3.36Å; E193-R196 PolarHBondContact O-N 2.96Å; E193-N197 WeakPolarHBondContact O-CB 3.39Å; E193-N197 VanDerWaalsContact O-CG 3.26Å; E193-N197 PolarHBondContact O-N 3.09Å; E193-N197 PolarHBondContact O-ND2 3.3Å
194	Y	93.9	Very high	90.1	Very high	101 Å²	101	55.1 Å²	55.1	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-58	-46	173.8	-79.5	-56.4	0	0	0	111.5	Y123 L190 R196 N197 L198	Y123-Y194 HydrophobicContact CD1-CD1 4.01Å; Y123-Y194 AromaticContact CD1-CE1 3.87Å; Y123-Y194 HydrophobicContact CD1-CE1 3.87Å; Y123-Y194 HydrophobicContact CG-CD1 4.15Å; Y123-Y194 HydrophobicContact CG-CE1 4.44Å; L190-Y194 WeakPolarHBondContact O-CD2 3.27Å; L190-Y194 PolarHBondContact O-N 3.5Å; Y194-R196 PolarHBondContact O-N 3.11Å; Y194-N197 PolarHBondContact O-N 2.94Å; Y194-L198 WeakPolarHBondContact O-CB 3.41Å; Y194-L198 VanDerWaalsContact O-CG 3.26Å; Y194-L198 WeakPolarHBondContact O-CG 3.42Å; Y194-L198 PolarHBondContact O-N 3.35Å
195	H	96.5	Very high	91.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-58.9	-44.6	178.6	174.4	-148.1	0	0	0	112.4	L124 W128 W130 N191 E192 E193 L198 V199 H386	L124-H195 HydrophobicContact CD1-CB 4.38Å; W128-H195 HydrophobicContact CH2-CB 4.28Å; W128-H195 AromaticContact CH2-CD2 3.78Å; W128-H195 AromaticContact CH2-CG 3.77Å; W128-H195 AromaticContact CH2-ND1 3.98Å; W128-H195 HydrophobicContact CZ2-CB 3.92Å; W128-H195 AromaticContact CZ2-CG 3.78Å; W128-H195 AromaticContact CZ2-ND1 3.92Å; W130-H195 AromaticContact CD1-CE1 3.4Å; W130-H195 AromaticContact CD1-ND1 3.6Å; W130-H195 AromaticContact CG-CE1 3.92Å; W130-H195 AromaticContact NE1-CE1 3.56Å; W130-H195 AromaticContact NE1-ND1 3.91Å; N191-H195 WeakPolarHBondContact O-CB 3.25Å; N191-H195 PolarHBondContact O-N 2.8Å; E192-H195 PolarHBondContact O-N 3.25Å; E193-H195 VanDerWaalsContact C-N 3.33Å; E193-H195 PolarHBondContact O-N 3.36Å; H195-L198 PolarHBondContact O-N 3.07Å; H195-V199 WeakPolarHBondContact O-CG2 3.2Å; H195-V199 PolarHBondContact O-N 3.42Å; H195-H386 AromaticContact CE1-CE1 3.88Å; H195-H386 AromaticContact CE1-NE2 3.14Å; H195-H386 PolarHBondContact CE1-NE2 3.33Å; H195-H386 AromaticContact NE2-CE1 3.44Å; H195-H386 PolarHBondContact NE2-CE1 3.25Å; H195-H386 AromaticContact NE2-NE2 2.85Å; H195-H386 PolarHBondContact NE2-NE2 2.89Å
196	R	96.2	Very high	92.6	Very high	45 Å²	45	49.5 Å²	49.5	17%	0.17	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-41.6	177.1	-71.5	174.1	178.6	-71.7	-4.7	112	E192 E193 Y194 L198 V199 S200 S378 F380 L382	E192-R196 WeakPolarHBondContact O-CG 3.3Å; E192-R196 PolarHBondContact O-N 3.05Å; E192-R196 IonicContact OE1-CZ 2.7Å; E192-R196 VanDerWaalsContact OE1-CZ 3.32Å; E192-R196 IonicContact OE1-NE 3.14Å; E192-R196 PolarHBondContact OE1-NE 3.19Å; E192-R196 IonicContact OE1-NH2 2.71Å; E192-R196 PolarHBondContact OE1-NH2 2.98Å; E193-R196 PolarHBondContact O-N 2.96Å; Y194-R196 PolarHBondContact O-N 3.11Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 3.15Å; R196-V199 PolarHBondContact O-N 3.28Å; R196-S200 PolarHBondContact O-N 2.97Å; R196-S378 WeakPolarHBondContact CD-O 3.44Å; R196-S378 PolarHBondContact NH1-O 3.38Å; R196-F380 HydrophobicContact CB-CE1 4.34Å; R196-F380 HydrophobicContact CB-CZ 4.09Å; R196-F380 HydrophobicContact CG-CZ 4.38Å; R196-F380 PolarHBondContact NH1-O 3.21Å; R196-F380 WeakPolarHBondContact O-CZ 3.34Å; R196-L382 HydrophobicContact CG-CD1 4Å; R196-L382 HydrophobicContact CG-CD2 4.35Å
197	N	95.1	Very high	93.6	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-61.2	-42.3	174.9	-72.9	-23.3	0	0	0	111.6	E193 Y194 V199 S200 W201	E193-N197 WeakPolarHBondContact O-CB 3.39Å; E193-N197 VanDerWaalsContact O-CG 3.26Å; E193-N197 PolarHBondContact O-N 3.09Å; E193-N197 PolarHBondContact O-ND2 3.3Å; Y194-N197 PolarHBondContact O-N 2.94Å; N197-V199 PolarHBondContact O-N 3.43Å; N197-S200 PolarHBondContact O-N 3.09Å; N197-S200 PolarHBondContact O-OG 2.99Å; N197-W201 PolarHBondContact O-N 3.44Å
198	L	96.8	Very high	94.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-48.9	174.3	-72.4	-176.9	0	0	0	111.6	L82 L119 V120 Y123 L124 Y194 H195 R196 S200 W201 F202	L82-L198 HydrophobicContact CD1-CB 4.28Å; L119-L198 HydrophobicContact CB-CD1 4.43Å; L119-L198 HydrophobicContact CB-CD2 3.48Å; L119-L198 VanDerWaalsContact CB-CD2 3.48Å; L119-L198 HydrophobicContact CD1-CD2 3.98Å; L119-L198 HydrophobicContact CG-CD2 4.34Å; V120-L198 HydrophobicContact CG2-CD1 3.93Å; Y123-L198 HydrophobicContact CD2-CD1 4.46Å; Y123-L198 HydrophobicContact CD2-CD2 3.75Å; Y123-L198 HydrophobicContact CD2-CG 4.43Å; Y123-L198 HydrophobicContact CE2-CD2 3.9Å; L124-L198 HydrophobicContact CD1-CD1 3.86Å; L124-L198 HydrophobicContact CG-CD1 4.47Å; Y194-L198 WeakPolarHBondContact O-CB 3.41Å; Y194-L198 VanDerWaalsContact O-CG 3.26Å; Y194-L198 WeakPolarHBondContact O-CG 3.42Å; Y194-L198 PolarHBondContact O-N 3.35Å; H195-L198 PolarHBondContact O-N 3.07Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 3.15Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 3.24Å; L198-W201 HydrophobicContact CD2-CE3 3.71Å; L198-W201 HydrophobicContact CD2-CH2 4.28Å; L198-W201 HydrophobicContact CD2-CZ3 3.42Å; L198-W201 VanDerWaalsContact CD2-CZ3 3.42Å; L198-W201 PolarHBondContact O-N 2.65Å; L198-F202 WeakPolarHBondContact O-CD2 3.21Å; L198-F202 WeakPolarHBondContact O-CE2 3.43Å
199	V	98.1	Very high	95.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-39	179.8	173.3	0	0	0	0	111.7	L82 H195 R196 N197 W201 F202 A203 F380 L382 Y385	L82-V199 HydrophobicContact CD1-CG2 4.27Å; L82-V199 HydrophobicContact CD2-CG2 3.59Å; H195-V199 WeakPolarHBondContact O-CG2 3.2Å; H195-V199 PolarHBondContact O-N 3.42Å; R196-V199 PolarHBondContact O-N 3.28Å; N197-V199 PolarHBondContact O-N 3.43Å; V199-W201 VanDerWaalsContact C-N 3.27Å; V199-W201 PolarHBondContact O-N 3.36Å; V199-F202 PolarHBondContact O-N 3.01Å; V199-F202 VanDerWaalsContact O-N 3.13Å; V199-A203 PolarHBondContact O-N 2.99Å; V199-F380 HydrophobicContact CB-CE2 4.04Å; V199-F380 HydrophobicContact CB-CZ 4.04Å; V199-F380 HydrophobicContact CG1-CE2 3.59Å; V199-F380 HydrophobicContact CG1-CZ 3.98Å; V199-L382 HydrophobicContact CB-CD2 4.12Å; V199-L382 HydrophobicContact CG1-CD2 4.26Å; V199-L382 HydrophobicContact CG2-CD2 3.79Å; V199-Y385 HydrophobicContact CG1-CD1 3.78Å; V199-Y385 HydrophobicContact CG1-CD2 3.72Å; V199-Y385 HydrophobicContact CG1-CE1 3.84Å; V199-Y385 HydrophobicContact CG1-CE2 3.77Å; V199-Y385 HydrophobicContact CG1-CG 3.72Å
200	S	97.4	Very high	95.7	Very high	31 Å²	31	38.7 Å²	38.7	22%	0.217	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-32.3	-179	79.3	0	0	0	0	112.4	R196 N197 L198 F202 A203	R196-S200 PolarHBondContact O-N 2.97Å; N197-S200 PolarHBondContact O-N 3.09Å; N197-S200 PolarHBondContact O-OG 2.99Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 3.24Å; S200-F202 PolarHBondContact O-N 2.99Å; S200-A203 VanDerWaalsContact O-CB 3.28Å; S200-A203 WeakPolarHBondContact O-CB 3.28Å; S200-A203 PolarHBondContact O-N 2.82Å; S200-A203 VanDerWaalsContact O-N 3.17Å
201	W	98.3	Very high	96.1	Very high	22 Å²	22	34.7 Å²	34.7	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-21	176.3	-64.1	-19.9	0	0	0	114.3	L119 Y123 N197 L198 V199 P209 L210 G211 L251	L119-W201 HydrophobicContact CD1-CE3 3.82Å; L119-W201 HydrophobicContact CD1-CZ3 4.05Å; Y123-W201 HydrophobicContact CE2-CH2 4.03Å; Y123-W201 AromaticContact CE2-CZ3 3.82Å; Y123-W201 HydrophobicContact CE2-CZ3 3.82Å; Y123-W201 AromaticContact CZ-CH2 3.92Å; N197-W201 PolarHBondContact O-N 3.44Å; L198-W201 HydrophobicContact CD2-CE3 3.71Å; L198-W201 HydrophobicContact CD2-CH2 4.28Å; L198-W201 HydrophobicContact CD2-CZ3 3.42Å; L198-W201 VanDerWaalsContact CD2-CZ3 3.42Å; L198-W201 PolarHBondContact O-N 2.65Å; V199-W201 VanDerWaalsContact C-N 3.27Å; V199-W201 PolarHBondContact O-N 3.36Å; W201-P209 HydrophobicContact CB-CG 3.95Å; W201-P209 HydrophobicContact CG-CG 4.05Å; W201-L210 CarbonylContact O-C 3.58Å; W201-L210 VanDerWaalsContact O-C 3.31Å; W201-L210 WeakPolarHBondContact O-CA 3.5Å; W201-L210 WeakPolarHBondContact O-CB 3.3Å; W201-L210 PolarHBondContact O-N 2.95Å; W201-G211 PolarHBondContact O-N 3.16Å; W201-L251 HydrophobicContact CD2-CD1 4.42Å; W201-L251 HydrophobicContact CD2-CD2 4.47Å; W201-L251 HydrophobicContact CD2-CG 4.29Å; W201-L251 HydrophobicContact CE3-CD1 4.4Å; W201-L251 HydrophobicContact CE3-CD2 3.71Å; W201-L251 HydrophobicContact CE3-CG 3.99Å; W201-L251 HydrophobicContact CH2-CD2 4.27Å; W201-L251 HydrophobicContact CH2-CG 4.26Å; W201-L251 HydrophobicContact CZ3-CD2 3.57Å; W201-L251 HydrophobicContact CZ3-CG 3.95Å
202	F	98.5	Very high	96.5	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	4.1	177.2	-61	-77.4	0	0	0	113.9	L84 Q112 I115 A116 L119 L198 V199 S200 L210	L84-F202 HydrophobicContact CD1-CB 3.76Å; L84-F202 HydrophobicContact CD1-CD1 3.86Å; L84-F202 HydrophobicContact CD1-CD2 4.37Å; L84-F202 HydrophobicContact CD1-CG 3.74Å; L84-F202 HydrophobicContact CD2-CB 4.09Å; Q112-F202 HydrophobicContact CB-CD1 3.81Å; Q112-F202 HydrophobicContact CB-CE1 4.16Å; Q112-F202 HydrophobicContact CG-CD1 4.09Å; Q112-F202 WeakPolarHBondContact O-CE1 3.26Å; I115-F202 HydrophobicContact CB-CE1 4.35Å; I115-F202 HydrophobicContact CB-CZ 4.4Å; I115-F202 HydrophobicContact CG2-CE1 4.34Å; I115-F202 HydrophobicContact CG2-CZ 4.14Å; A116-F202 VanDerWaalsContact CA-CZ 3.49Å; A116-F202 HydrophobicContact CB-CD2 4.24Å; A116-F202 HydrophobicContact CB-CE1 4.29Å; A116-F202 HydrophobicContact CB-CE2 3.58Å; A116-F202 HydrophobicContact CB-CZ 3.61Å; L119-F202 HydrophobicContact CD1-CE2 4Å; L119-F202 HydrophobicContact CD1-CZ 3.78Å; L198-F202 WeakPolarHBondContact O-CD2 3.21Å; L198-F202 WeakPolarHBondContact O-CE2 3.43Å; V199-F202 PolarHBondContact O-N 3.01Å; V199-F202 VanDerWaalsContact O-N 3.13Å; S200-F202 PolarHBondContact O-N 2.99Å; F202-L210 HydrophobicContact CD1-CB 3.63Å; F202-L210 HydrophobicContact CE1-CB 3.56Å; F202-L210 HydrophobicContact CE1-CD1 3.74Å; F202-L210 HydrophobicContact CE1-CG 4.3Å; F202-L210 HydrophobicContact CG-CB 4.45Å; F202-L210 HydrophobicContact CZ-CB 4.32Å; F202-L210 HydrophobicContact CZ-CD1 3.71Å
203	A	97.3	Very high	96.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-60.1	152.4	-177.1	0	0	0	0	0	112.9	V199 S200 V205 A208 G211 V375	V199-A203 PolarHBondContact O-N 2.99Å; S200-A203 VanDerWaalsContact O-CB 3.28Å; S200-A203 WeakPolarHBondContact O-CB 3.28Å; S200-A203 PolarHBondContact O-N 2.82Å; S200-A203 VanDerWaalsContact O-N 3.17Å; A203-V205 HydrophobicContact CB-CG2 4.07Å; A203-V205 PolarHBondContact O-N 2.82Å; A203-A208 HydrophobicContact CB-CB 4.19Å; A203-A208 VanDerWaalsContact O-CB 3.23Å; A203-A208 WeakPolarHBondContact O-CB 3.18Å; A203-G211 VanDerWaalsContact O-CA 3.24Å; A203-G211 WeakPolarHBondContact O-CA 3.48Å; A203-V375 HydrophobicContact CB-CB 4.21Å; A203-V375 HydrophobicContact CB-CG1 3.82Å; A203-V375 HydrophobicContact CB-CG2 3.34Å
204	D	97.7	Very high	97.1	Very high	2 Å²	2	27 Å²	27	1%	0.011	15%	0.149	C	C	.	.	S	Bend	trans	-83.4	55.6	-178.3	-51.8	-74.6	0	0	0	111.8	R87 F90 R109 H213 F372	R87-D204 VanDerWaalsContact CG-OD2 3.29Å; R87-D204 WeakPolarHBondContact CG-OD2 3.4Å; F90-D204 HydrophobicContact CB-CB 3.76Å; F90-D204 HydrophobicContact CD1-CB 3.86Å; F90-D204 HydrophobicContact CG-CB 4.01Å; R109-D204 IonicContact CZ-OD1 3.28Å; R109-D204 IonicContact NH1-OD1 3.46Å; R109-D204 PolarHBondContact NH1-OD1 2.88Å; R109-D204 IonicContact NH2-OD1 2.87Å; R109-D204 PolarHBondContact NH2-OD1 2.89Å; D204-H213 VanDerWaalsContact C-ND1 3.35Å; D204-H213 PolarHBondContact O-CE1 3.42Å; D204-F372 HydrophobicContact CB-CD2 4.09Å; D204-F372 HydrophobicContact CB-CE2 4.45Å
205	V	96.5	Very high	97.3	Very high	24 Å²	24	22.2 Å²	22.2	15%	0.145	13%	0.13	C	C	.	.	S	Bend	trans	-134	155.6	177.4	-64.3	0	0	0	0	110.1	A203 S207 A208 F372	A203-V205 HydrophobicContact CB-CG2 4.07Å; A203-V205 PolarHBondContact O-N 2.82Å; V205-S207 WeakPolarHBondContact CG2-OG 3.45Å; V205-S207 PolarHBondContact O-N 3.41Å; V205-A208 HydrophobicContact CG2-CB 3.91Å; V205-A208 PolarHBondContact O-N 3.4Å; V205-F372 HydrophobicContact CG1-CE2 3.8Å; V205-F372 HydrophobicContact CG1-CZ 3.87Å
206	S	95.3	Very high	97.4	Very high	102 Å²	102	22.3 Å²	22.3	71%	0.713	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.6	-177.1	56.2	0	0	0	0	114.5
207	S	95.1	Very high	97.5	Very high	94 Å²	94	24.4 Å²	24.4	66%	0.657	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.4	178.8	56	0	0	0	0	113.7	V205	V205-S207 WeakPolarHBondContact CG2-OG 3.45Å; V205-S207 PolarHBondContact O-N 3.41Å
208	A	97.5	Very high	97.6	Very high	5 Å²	5	21.8 Å²	21.8	4%	0.041	13%	0.128	C	C	.	.			trans	-76.9	121	-177.9	0	0	0	0	0	110.2	A203 V205 L210 G211	A203-A208 HydrophobicContact CB-CB 4.19Å; A203-A208 VanDerWaalsContact O-CB 3.23Å; A203-A208 WeakPolarHBondContact O-CB 3.18Å; V205-A208 HydrophobicContact CG2-CB 3.91Å; V205-A208 PolarHBondContact O-N 3.4Å; A208-L210 VanDerWaalsContact C-N 3.26Å; A208-L210 PolarHBondContact O-N 2.86Å; A208-G211 PolarHBondContact O-N 2.75Å
209	P	97.8	Very high	97.7	Very high	14 Å²	14	21.8 Å²	21.8	9%	0.091	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.9	-171.7	28.1	-40	0	0	0	113.7	W201 R214 A246 E248 L251	W201-P209 HydrophobicContact CB-CG 3.95Å; W201-P209 HydrophobicContact CG-CG 4.05Å; P209-R214 WeakPolarHBondContact O-CG 3.32Å; P209-A246 HydrophobicContact CB-CB 3.85Å; P209-E248 HydrophobicContact CB-CG 4.31Å; P209-E248 HydrophobicContact CG-CG 3.69Å; P209-L251 HydrophobicContact CB-CD1 4.09Å; P209-L251 HydrophobicContact CG-CD1 3.82Å
210	L	98.6	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	11.9	-179.7	-53.7	175.2	0	0	0	111.2	Q112 I115 L119 W201 F202 A208 A242 V243 L251	Q112-L210 PolarHBondContact NE2-O 3.09Å; I115-L210 HydrophobicContact CG2-CD1 3.95Å; L119-L210 HydrophobicContact CD1-CD1 3.82Å; W201-L210 CarbonylContact O-C 3.58Å; W201-L210 VanDerWaalsContact O-C 3.31Å; W201-L210 WeakPolarHBondContact O-CA 3.5Å; W201-L210 WeakPolarHBondContact O-CB 3.3Å; W201-L210 PolarHBondContact O-N 2.95Å; F202-L210 HydrophobicContact CD1-CB 3.63Å; F202-L210 HydrophobicContact CE1-CB 3.56Å; F202-L210 HydrophobicContact CE1-CD1 3.74Å; F202-L210 HydrophobicContact CE1-CG 4.3Å; F202-L210 HydrophobicContact CG-CB 4.45Å; F202-L210 HydrophobicContact CZ-CB 4.32Å; F202-L210 HydrophobicContact CZ-CD1 3.71Å; A208-L210 VanDerWaalsContact C-N 3.26Å; A208-L210 PolarHBondContact O-N 2.86Å; L210-A242 HydrophobicContact CD2-CB 3.94Å; L210-V243 HydrophobicContact CD2-CG2 3.81Å; L210-L251 HydrophobicContact CD1-CD1 4.15Å; L210-L251 HydrophobicContact CD1-CD2 4.3Å; L210-L251 HydrophobicContact CG-CD1 4.27Å
211	G	98.2	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-72.4	160.4	178.8	0	0	0	0	0	113	W201 A203 A208 H213 R214 L215	W201-G211 PolarHBondContact O-N 3.16Å; A203-G211 VanDerWaalsContact O-CA 3.24Å; A203-G211 WeakPolarHBondContact O-CA 3.48Å; A208-G211 PolarHBondContact O-N 2.75Å; G211-H213 VanDerWaalsContact C-N 3.28Å; G211-H213 PolarHBondContact O-N 3.27Å; G211-R214 WeakPolarHBondContact O-CB 3.36Å; G211-R214 PolarHBondContact O-N 2.91Å; G211-L215 WeakPolarHBondContact O-CG 3.38Å; G211-L215 PolarHBondContact O-N 2.76Å; G211-L215 VanDerWaalsContact O-N 3.1Å
212	L	98.4	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.5	-42.5	-176.6	-179.7	71.4	0	0	0	112.5	F90 L93 D101 L108 R214 L215 V216	F90-L212 HydrophobicContact CE1-CD2 3.86Å; F90-L212 HydrophobicContact CE2-CD2 4.43Å; F90-L212 HydrophobicContact CZ-CD2 3.6Å; L93-L212 HydrophobicContact CD1-CD2 4.37Å; L93-L212 HydrophobicContact CD2-CD2 4.07Å; L93-L212 HydrophobicContact CD2-CG 4.12Å; D101-L212 HydrophobicContact CB-CD2 3.57Å; L108-L212 HydrophobicContact CB-CD1 4.1Å; L108-L212 HydrophobicContact CD1-CD1 3.67Å; L212-R214 VanDerWaalsContact C-N 3.26Å; L212-R214 PolarHBondContact O-N 2.84Å; L212-L215 PolarHBondContact O-N 2.82Å; L212-V216 HydrophobicContact CD1-CG2 4.17Å; L212-V216 HydrophobicContact CG-CG2 4.22Å; L212-V216 WeakPolarHBondContact O-CB 3.47Å; L212-V216 VanDerWaalsContact O-CG2 3.29Å; L212-V216 WeakPolarHBondContact O-CG2 3.48Å; L212-V216 PolarHBondContact O-N 2.85Å
213	H	98.3	Very high	97.2	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.023	22%	0.221	C	C	.	.	H	α-helix	trans	-55.7	-43.1	178.2	-65.7	63.7	0	0	0	112	F90 P91 L93 D204 G211 H217	F90-H213 AromaticContact CD2-CE1 3.87Å; P91-H213 PolarHBondContact O-NE2 3.44Å; L93-H213 HydrophobicContact CD2-CB 4.37Å; D204-H213 VanDerWaalsContact C-ND1 3.35Å; D204-H213 PolarHBondContact O-CE1 3.42Å; G211-H213 VanDerWaalsContact C-N 3.28Å; G211-H213 PolarHBondContact O-N 3.27Å; H213-H217 WeakPolarHBondContact O-CB 3.28Å; H213-H217 PolarHBondContact O-N 3.14Å
214	R	98.2	Very high	97.2	Very high	52 Å²	52	35.8 Å²	35.8	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-69.1	-44.5	179.8	-175.3	50.7	163.4	167.9	-3	111.5	P209 G211 L212 V216 H217 L218 E245	P209-R214 WeakPolarHBondContact O-CG 3.32Å; G211-R214 WeakPolarHBondContact O-CB 3.36Å; G211-R214 PolarHBondContact O-N 2.91Å; L212-R214 VanDerWaalsContact C-N 3.26Å; L212-R214 PolarHBondContact O-N 2.84Å; R214-V216 VanDerWaalsContact C-N 3.33Å; R214-V216 PolarHBondContact O-N 3.43Å; R214-H217 PolarHBondContact NH1-CD2 3.03Å; R214-H217 WeakPolarHBondContact O-CB 3.49Å; R214-H217 PolarHBondContact O-N 2.94Å; R214-L218 HydrophobicContact CG-CD1 4.19Å; R214-L218 WeakPolarHBondContact O-CG 3.36Å; R214-L218 PolarHBondContact O-N 3.41Å; R214-E245 IonicContact CZ-OE2 3.09Å; R214-E245 VanDerWaalsContact CZ-OE2 3.28Å; R214-E245 IonicContact NH1-OE2 2.68Å; R214-E245 PolarHBondContact NH1-OE2 3.05Å; R214-E245 IonicContact NH2-OE2 3.7Å; R214-E245 PolarHBondContact NH2-OE2 3.25Å
215	L	98.6	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-38.4	177.4	-55.4	-172.8	0	0	0	112.2	L108 Q112 G211 L212 G219 I238 L239 A242	L108-L215 HydrophobicContact CB-CD1 4.43Å; L108-L215 HydrophobicContact CD2-CB 4.1Å; L108-L215 HydrophobicContact CD2-CD1 4.37Å; Q112-L215 HydrophobicContact CG-CD1 3.6Å; G211-L215 WeakPolarHBondContact O-CG 3.38Å; G211-L215 PolarHBondContact O-N 2.76Å; G211-L215 VanDerWaalsContact O-N 3.1Å; L212-L215 PolarHBondContact O-N 2.82Å; L215-G219 PolarHBondContact O-N 3.27Å; L215-I238 HydrophobicContact CB-CG2 3.9Å; L215-I238 HydrophobicContact CD2-CG2 3.87Å; L215-I238 HydrophobicContact CG-CG2 4.43Å; L215-I238 WeakPolarHBondContact O-CG2 3.41Å; L215-L239 HydrophobicContact CD1-CD2 4.15Å; L215-L239 HydrophobicContact CD2-CD2 3.99Å; L215-A242 HydrophobicContact CD2-CB 3.77Å
216	V	98.4	Very high	97.2	Very high	3 Å²	3	42 Å²	42	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-43.4	175.1	169.5	0	0	0	0	111	L93 W104 L108 L212 R214 G219 S220 A226	L93-V216 HydrophobicContact CD1-CG2 4.43Å; L93-V216 HydrophobicContact CD2-CB 4.43Å; L93-V216 HydrophobicContact CD2-CG2 4.2Å; W104-V216 HydrophobicContact CH2-CG2 3.85Å; W104-V216 HydrophobicContact CZ3-CG2 4.18Å; L108-V216 HydrophobicContact CD1-CG2 4.05Å; L212-V216 HydrophobicContact CD1-CG2 4.17Å; L212-V216 HydrophobicContact CG-CG2 4.22Å; L212-V216 WeakPolarHBondContact O-CB 3.47Å; L212-V216 VanDerWaalsContact O-CG2 3.29Å; L212-V216 WeakPolarHBondContact O-CG2 3.48Å; L212-V216 PolarHBondContact O-N 2.85Å; R214-V216 VanDerWaalsContact C-N 3.33Å; R214-V216 PolarHBondContact O-N 3.43Å; V216-G219 PolarHBondContact O-N 3.05Å; V216-S220 PolarHBondContact O-N 2.93Å; V216-S220 VanDerWaalsContact O-N 3.1Å; V216-A226 HydrophobicContact CG1-CB 3.87Å
217	H	97.9	Very high	97.2	Very high	89 Å²	89	38.8 Å²	38.8	41%	0.412	25%	0.245	S	C	.	.	H	α-helix	trans	-58.5	-50.2	175.7	174.5	76.4	0	0	0	111.8	P94 H213 R214 G219 S220	P94-H217 HydrophobicContact CB-CB 4.39Å; P94-H217 HydrophobicContact CG-CB 4.16Å; H213-H217 WeakPolarHBondContact O-CB 3.28Å; H213-H217 PolarHBondContact O-N 3.14Å; R214-H217 PolarHBondContact NH1-CD2 3.03Å; R214-H217 WeakPolarHBondContact O-CB 3.49Å; R214-H217 PolarHBondContact O-N 2.94Å; H217-G219 VanDerWaalsContact C-N 3.3Å; H217-G219 PolarHBondContact O-N 3.48Å; H217-S220 WeakPolarHBondContact O-CB 3.37Å; H217-S220 PolarHBondContact O-N 3.47Å; H217-S220 VanDerWaalsContact O-N 3.09Å; H217-S220 PolarHBondContact O-OG 3.41Å
218	L	98.1	Very high	97.2	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-37	177.1	-68.8	168.6	0	0	0	111.9	R214 S220 A221 I238 E241 A242	R214-L218 HydrophobicContact CG-CD1 4.19Å; R214-L218 WeakPolarHBondContact O-CG 3.36Å; R214-L218 PolarHBondContact O-N 3.41Å; L218-S220 PolarHBondContact O-N 2.98Å; L218-A221 PolarHBondContact O-N 3.28Å; L218-I238 HydrophobicContact CB-CG2 4.08Å; L218-E241 HydrophobicContact CD1-CB 4.36Å; L218-E241 HydrophobicContact CD2-CB 4.24Å; L218-A242 VanDerWaalsContact CD1-CA 3.46Å; L218-A242 HydrophobicContact CD1-CB 3.59Å
219	G	97.6	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-28.8	173	0	0	0	0	0	113.9	L215 V216 H217 A221 M222 G223 K224	L215-G219 PolarHBondContact O-N 3.27Å; V216-G219 PolarHBondContact O-N 3.05Å; H217-G219 VanDerWaalsContact C-N 3.3Å; H217-G219 PolarHBondContact O-N 3.48Å; G219-A221 PolarHBondContact O-N 3.29Å; G219-M222 CarbonylContact O-C 3.6Å; G219-M222 VanDerWaalsContact O-C 3.32Å; G219-M222 WeakPolarHBondContact O-CA 3.31Å; G219-M222 PolarHBondContact O-N 3.39Å; G219-G223 PolarHBondContact O-N 3.32Å; G219-K224 CarbonylContact C-O 3.46Å; G219-K224 WeakPolarHBondContact O-CB 3.4Å; G219-K224 PolarHBondContact O-N 3.4Å
220	S	96.3	Very high	97.1	Very high	69 Å²	69	40.3 Å²	40.3	48%	0.483	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-37.5	177.4	77.6	0	0	0	0	113.6	V216 H217 L218 M222 G223 K224	V216-S220 PolarHBondContact O-N 2.93Å; V216-S220 VanDerWaalsContact O-N 3.1Å; H217-S220 WeakPolarHBondContact O-CB 3.37Å; H217-S220 PolarHBondContact O-N 3.47Å; H217-S220 VanDerWaalsContact O-N 3.09Å; H217-S220 PolarHBondContact O-OG 3.41Å; L218-S220 PolarHBondContact O-N 2.98Å; S220-M222 PolarHBondContact O-N 3.42Å; S220-G223 PolarHBondContact O-N 3.28Å; S220-K224 WeakPolarHBondContact CA-O 3.45Å; S220-K224 PolarHBondContact N-O 2.8Å
221	A	95.2	Very high	97	Very high	94 Å²	94	41 Å²	41	78%	0.777	25%	0.245	S	C	*	.	H	α-helix	trans	-66.3	-20	172.3	0	0	0	0	0	112.5	L218 G219	L218-A221 PolarHBondContact O-N 3.28Å; G219-A221 PolarHBondContact O-N 3.29Å
222	M	95.8	Very high	97	Very high	69 Å²	69	41 Å²	41	34%	0.34	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	20.3	178	-53.5	-177.1	-179.3	0	0	112.9	G219 S220 L234 H237 I238 E241	G219-M222 CarbonylContact O-C 3.6Å; G219-M222 VanDerWaalsContact O-C 3.32Å; G219-M222 WeakPolarHBondContact O-CA 3.31Å; G219-M222 PolarHBondContact O-N 3.39Å; S220-M222 PolarHBondContact O-N 3.42Å; M222-L234 HydrophobicContact CB-CD1 3.77Å; M222-L234 HydrophobicContact CG-CD1 4.29Å; M222-L234 HydrophobicContact SD-CD1 3.57Å; M222-L234 VanDerWaalsContact SD-CD1 3.57Å; M222-H237 HydrophobicContact CE-CB 4.16Å; M222-H237 HydrophobicContact SD-CB 4.27Å; M222-I238 HydrophobicContact CE-CG1 4.37Å; M222-I238 HydrophobicContact SD-CG1 3.62Å; M222-E241 HydrophobicContact CE-CG 4Å
223	G	95.6	Very high	97	Very high	64 Å²	64	43 Å²	43	66%	0.66	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	21	174	0	0	0	0	0	115.2	G219 S220	G219-G223 PolarHBondContact O-N 3.32Å; S220-G223 PolarHBondContact O-N 3.28Å
224	K	97	Very high	97	Very high	54 Å²	54	44.6 Å²	44.6	24%	0.235	27%	0.27	C	S	.	.			trans	-111.1	150.8	174.3	-64.2	-66.8	178.6	175.4	0	112.4	G219 S220 D228 W229 Y230 L234	G219-K224 CarbonylContact C-O 3.46Å; G219-K224 WeakPolarHBondContact O-CB 3.4Å; G219-K224 PolarHBondContact O-N 3.4Å; S220-K224 WeakPolarHBondContact CA-O 3.45Å; S220-K224 PolarHBondContact N-O 2.8Å; K224-D228 HydrophobicContact CD-CB 4Å; K224-W229 WeakPolarHBondContact CE-O 3.41Å; K224-W229 PolarHBondContact NZ-O 3.14Å; K224-Y230 HydrophobicContact CB-CD1 4.25Å; K224-Y230 HydrophobicContact CB-CE1 3.45Å; K224-Y230 VanDerWaalsContact CB-CE1 3.45Å; K224-Y230 HydrophobicContact CB-CE2 4.28Å; K224-Y230 VanDerWaalsContact CB-CZ 3.47Å; K224-Y230 WeakPolarHBondContact CB-OH 3.47Å; K224-Y230 HydrophobicContact CG-CD1 3.92Å; K224-Y230 HydrophobicContact CG-CE1 3.63Å; K224-L234 HydrophobicContact CD-CD2 4Å; K224-L234 HydrophobicContact CG-CD2 3.45Å; K224-L234 VanDerWaalsContact CG-CD2 3.45Å
225	Q	95.7	Very high	97	Very high	138 Å²	138	42.1 Å²	42.1	65%	0.645	26%	0.261	S	S	*	.			trans	-124	163.2	174.3	-61.3	-178.4	46.8	0	0	110.9	G227 D228	Q225-G227 PolarHBondContact O-N 3.06Å; Q225-D228 PolarHBondContact N-OD2 2.84Å; Q225-D228 VanDerWaalsContact O-CB 3.31Å; Q225-D228 WeakPolarHBondContact O-CB 3.34Å; Q225-D228 PolarHBondContact O-N 3.34Å
226	A	97.1	Very high	97	Very high	19 Å²	19	42.1 Å²	42.1	16%	0.157	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	127	171.1	0	0	0	0	0	109.7	L93 L98 W104 V216	L93-A226 HydrophobicContact CB-CB 4.06Å; L93-A226 HydrophobicContact CD1-CB 3.88Å; L98-A226 HydrophobicContact CD1-CB 3.92Å; W104-A226 HydrophobicContact CH2-CB 4.12Å; W104-A226 HydrophobicContact CZ2-CB 4.38Å; V216-A226 HydrophobicContact CG1-CB 3.87Å
227	G	95.5	Very high	97	Very high	34 Å²	34	45.5 Å²	45.5	35%	0.351	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	-21.3	-173.7	0	0	0	0	0	114.4	W104 Q225	W104-G227 WeakPolarHBondContact CB-O 3.48Å; W104-G227 VanDerWaalsContact CD2-N 3.34Å; W104-G227 VanDerWaalsContact CE3-N 3.27Å; W104-G227 VanDerWaalsContact CZ3-N 3.34Å; Q225-G227 PolarHBondContact O-N 3.06Å
228	D	96.4	Very high	97.1	Very high	62 Å²	62	41.3 Å²	41.3	33%	0.332	26%	0.257	S	S	.	.			trans	-72.3	156.7	178.4	-74.1	-23.4	0	0	0	112.3	K224 Q225 Y230	K224-D228 HydrophobicContact CD-CB 4Å; Q225-D228 PolarHBondContact N-OD2 2.84Å; Q225-D228 VanDerWaalsContact O-CB 3.31Å; Q225-D228 WeakPolarHBondContact O-CB 3.34Å; Q225-D228 PolarHBondContact O-N 3.34Å; D228-Y230 HydrophobicContact CB-CE2 4.35Å; D228-Y230 VanDerWaalsContact O-CD2 3.28Å; D228-Y230 WeakPolarHBondContact O-CD2 3.07Å; D228-Y230 WeakPolarHBondContact O-CE2 3.43Å
229	W	94.3	Very high	97.1	Very high	82 Å²	82	40.7 Å²	40.7	31%	0.311	25%	0.254	S	S	.	.			trans	-83.3	139.7	165.1	-179.2	72.6	0	0	0	111.6	M107 K224 G231 P347	M107-W229 HydrophobicContact CE-CZ2 4.41Å; K224-W229 WeakPolarHBondContact CE-O 3.41Å; K224-W229 PolarHBondContact NZ-O 3.14Å; W229-G231 VanDerWaalsContact CH2-CA 3.46Å; W229-P347 HydrophobicContact CD2-CB 4.13Å; W229-P347 HydrophobicContact CD2-CG 3.9Å; W229-P347 HydrophobicContact CE3-CG 4.15Å; W229-P347 HydrophobicContact CG-CB 4.04Å; W229-P347 HydrophobicContact CG-CG 4.33Å; W229-P347 HydrophobicContact CH2-CG 4.42Å; W229-P347 HydrophobicContact CZ2-CG 4.21Å; W229-P347 HydrophobicContact CZ3-CG 4.41Å
230	Y	97.6	Very high	97.1	Very high	1 Å²	1	44 Å²	44	0%	0.004	27%	0.268	C	S	.	.			trans	-112.7	133.9	178	-64.9	-111.1	0	0	0	109.6	W104 M107 L108 K224 D228 L234 V235 I238	W104-Y230 HydrophobicContact CE3-CE2 4.45Å; W104-Y230 HydrophobicContact CZ3-CE2 4.14Å; M107-Y230 WeakPolarHBondContact CB-O 3.47Å; M107-Y230 VanDerWaalsContact CG-O 3.24Å; M107-Y230 WeakPolarHBondContact CG-O 3.26Å; L108-Y230 HydrophobicContact CD1-CD2 4Å; L108-Y230 HydrophobicContact CD1-CE2 3.85Å; L108-Y230 HydrophobicContact CD1-CG 4.44Å; L108-Y230 HydrophobicContact CD2-CD1 3.88Å; L108-Y230 HydrophobicContact CD2-CD2 4.4Å; L108-Y230 HydrophobicContact CD2-CE1 4.16Å; L108-Y230 HydrophobicContact CD2-CG 4.01Å; L108-Y230 HydrophobicContact CG-CD1 4.45Å; L108-Y230 HydrophobicContact CG-CD2 4.09Å; L108-Y230 HydrophobicContact CG-CE2 4.42Å; L108-Y230 HydrophobicContact CG-CG 4.13Å; K224-Y230 HydrophobicContact CB-CD1 4.25Å; K224-Y230 HydrophobicContact CB-CE1 3.45Å; K224-Y230 VanDerWaalsContact CB-CE1 3.45Å; K224-Y230 HydrophobicContact CB-CE2 4.28Å; K224-Y230 VanDerWaalsContact CB-CZ 3.47Å; K224-Y230 WeakPolarHBondContact CB-OH 3.47Å; K224-Y230 HydrophobicContact CG-CD1 3.92Å; K224-Y230 HydrophobicContact CG-CE1 3.63Å; D228-Y230 HydrophobicContact CB-CE2 4.35Å; D228-Y230 VanDerWaalsContact O-CD2 3.28Å; D228-Y230 WeakPolarHBondContact O-CD2 3.07Å; D228-Y230 WeakPolarHBondContact O-CE2 3.43Å; Y230-L234 HydrophobicContact CD1-CD2 4Å; Y230-L234 HydrophobicContact CD1-CG 4.44Å; Y230-V235 HydrophobicContact CG-CG2 4.42Å; Y230-I238 HydrophobicContact CD1-CD1 3.54Å; Y230-I238 HydrophobicContact CE1-CD1 3.55Å
231	G	97.5	Very high	97.3	Very high	14 Å²	14	42.8 Å²	42.8	14%	0.144	26%	0.255	C	S	.	.			trans	-86.4	160.5	174.3	0	0	0	0	0	112.7	W229 A233 L234 V235	W229-G231 VanDerWaalsContact CH2-CA 3.46Å; G231-A233 VanDerWaalsContact C-N 3.33Å; G231-A233 PolarHBondContact O-N 3.24Å; G231-L234 PolarHBondContact O-N 3.17Å; G231-V235 PolarHBondContact O-N 3.32Å
232	P	98	Very high	97.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-56.3	-42.5	-176.5	-23.3	32.1	0	0	0	113.8	M107 V235 A236 I343 T403	M107-P232 HydrophobicContact CE-CG 3.6Å; M107-P232 HydrophobicContact SD-CB 4.3Å; M107-P232 HydrophobicContact SD-CG 4.01Å; P232-V235 PolarHBondContact O-N 2.91Å; P232-A236 PolarHBondContact O-N 2.93Å; P232-I343 HydrophobicContact CB-CG1 4.42Å; P232-T403 VanDerWaalsContact C-OG1 3.28Å; P232-T403 VanDerWaalsContact CB-OG1 3.29Å; P232-T403 WeakPolarHBondContact CB-OG1 3.33Å; P232-T403 PolarHBondContact O-OG1 3.5Å
233	A	98	Very high	97.5	Very high	42 Å²	42	35.3 Å²	35.3	35%	0.347	20%	0.203	S	C	.	.	H	α-helix	trans	-63.3	-45.3	178.9	0	0	0	0	0	112.2	G231 V235 A236 H237 P314	G231-A233 VanDerWaalsContact C-N 3.33Å; G231-A233 PolarHBondContact O-N 3.24Å; A233-V235 PolarHBondContact O-N 2.97Å; A233-A236 WeakPolarHBondContact O-CB 3.39Å; A233-A236 PolarHBondContact O-N 3.25Å; A233-H237 PolarHBondContact O-CD2 2.9Å; A233-H237 VanDerWaalsContact O-CD2 3.24Å; A233-H237 PolarHBondContact O-N 3.25Å; A233-P314 HydrophobicContact CB-CB 3.59Å; A233-P314 HydrophobicContact CB-CG 4.04Å
234	L	98.3	Very high	97.5	Very high	38 Å²	38	38.9 Å²	38.9	20%	0.199	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-42.6	178.6	179.9	61	0	0	0	111.4	M222 K224 Y230 G231 A236 H237 I238	M222-L234 HydrophobicContact CB-CD1 3.77Å; M222-L234 HydrophobicContact CG-CD1 4.29Å; M222-L234 HydrophobicContact SD-CD1 3.57Å; M222-L234 VanDerWaalsContact SD-CD1 3.57Å; K224-L234 HydrophobicContact CD-CD2 4Å; K224-L234 HydrophobicContact CG-CD2 3.45Å; K224-L234 VanDerWaalsContact CG-CD2 3.45Å; Y230-L234 HydrophobicContact CD1-CD2 4Å; Y230-L234 HydrophobicContact CD1-CG 4.44Å; G231-L234 PolarHBondContact O-N 3.17Å; L234-A236 VanDerWaalsContact C-N 3.29Å; L234-A236 PolarHBondContact O-N 3.09Å; L234-H237 PolarHBondContact O-N 2.81Å; L234-I238 HydrophobicContact CD1-CD1 4.45Å; L234-I238 HydrophobicContact CG-CD1 4.03Å; L234-I238 WeakPolarHBondContact O-CG1 3.18Å; L234-I238 PolarHBondContact O-N 2.82Å
235	V	98.7	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-38.3	176.3	173.5	0	0	0	0	111.3	M107 L108 Y230 G231 P232 A233 H237 I238 L239 I343	M107-V235 HydrophobicContact CB-CG2 4.2Å; M107-V235 HydrophobicContact CG-CB 4.26Å; M107-V235 HydrophobicContact CG-CG2 3.58Å; L108-V235 HydrophobicContact CD2-CG2 3.91Å; Y230-V235 HydrophobicContact CG-CG2 4.42Å; G231-V235 PolarHBondContact O-N 3.32Å; P232-V235 PolarHBondContact O-N 2.91Å; A233-V235 PolarHBondContact O-N 2.97Å; V235-H237 VanDerWaalsContact C-N 3.33Å; V235-H237 PolarHBondContact O-N 3.25Å; V235-I238 PolarHBondContact O-N 2.78Å; V235-L239 HydrophobicContact CG1-CD1 3.8Å; V235-L239 HydrophobicContact CG1-CG 4.13Å; V235-L239 VanDerWaalsContact O-CG 3.22Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 3.47Å; V235-I343 HydrophobicContact CG1-CD1 4.33Å
236	A	98.8	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-44.3	174.8	0	0	0	0	0	112.4	P232 A233 L234 L239 K240 V258 L312 P314 T403	P232-A236 PolarHBondContact O-N 2.93Å; A233-A236 WeakPolarHBondContact O-CB 3.39Å; A233-A236 PolarHBondContact O-N 3.25Å; L234-A236 VanDerWaalsContact C-N 3.29Å; L234-A236 PolarHBondContact O-N 3.09Å; A236-L239 PolarHBondContact O-N 3.38Å; A236-K240 PolarHBondContact O-N 3.25Å; A236-V258 HydrophobicContact CB-CG1 4.02Å; A236-V258 HydrophobicContact CB-CG2 4.18Å; A236-L312 HydrophobicContact CB-CB 4.04Å; A236-L312 HydrophobicContact CB-CD1 3.74Å; A236-P314 HydrophobicContact CB-CG 4.14Å; A236-T403 HydrophobicContact CB-CG2 4.19Å
237	H	98.6	Very high	97.3	Very high	74 Å²	74	40.3 Å²	40.3	34%	0.343	22%	0.218	S	C	.	.	H	α-helix	trans	-68.2	-38.2	175.9	-72.1	-70.6	0	0	0	113.2	M222 A233 L234 V235 L239 K240 E241	M222-H237 HydrophobicContact CE-CB 4.16Å; M222-H237 HydrophobicContact SD-CB 4.27Å; A233-H237 PolarHBondContact O-CD2 2.9Å; A233-H237 VanDerWaalsContact O-CD2 3.24Å; A233-H237 PolarHBondContact O-N 3.25Å; L234-H237 PolarHBondContact O-N 2.81Å; V235-H237 VanDerWaalsContact C-N 3.33Å; V235-H237 PolarHBondContact O-N 3.25Å; H237-L239 VanDerWaalsContact C-N 3.33Å; H237-L239 PolarHBondContact O-N 3.2Å; H237-K240 WeakPolarHBondContact O-CB 3.48Å; H237-K240 PolarHBondContact O-N 3.02Å; H237-E241 PolarHBondContact O-N 3.11Å; H237-E241 VanDerWaalsContact O-N 3.1Å
238	I	98.8	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-44	174.6	-68.8	169.8	0	0	0	110.6	L215 L218 M222 Y230 L234 V235 K240 E241 A242	L215-I238 HydrophobicContact CB-CG2 3.9Å; L215-I238 HydrophobicContact CD2-CG2 3.87Å; L215-I238 HydrophobicContact CG-CG2 4.43Å; L215-I238 WeakPolarHBondContact O-CG2 3.41Å; L218-I238 HydrophobicContact CB-CG2 4.08Å; M222-I238 HydrophobicContact CE-CG1 4.37Å; M222-I238 HydrophobicContact SD-CG1 3.62Å; Y230-I238 HydrophobicContact CD1-CD1 3.54Å; Y230-I238 HydrophobicContact CE1-CD1 3.55Å; L234-I238 HydrophobicContact CD1-CD1 4.45Å; L234-I238 HydrophobicContact CG-CD1 4.03Å; L234-I238 WeakPolarHBondContact O-CG1 3.18Å; L234-I238 PolarHBondContact O-N 2.82Å; V235-I238 PolarHBondContact O-N 2.78Å; I238-K240 VanDerWaalsContact C-N 3.3Å; I238-K240 PolarHBondContact O-N 3.17Å; I238-E241 PolarHBondContact O-N 3.41Å; I238-A242 WeakPolarHBondContact O-CB 3.34Å; I238-A242 PolarHBondContact O-N 2.95Å
239	L	98.8	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-36.7	177.8	-65.9	165.1	0	0	0	111.6	I115 L215 V235 A236 H237 A242 V243 L312	I115-L239 HydrophobicContact CD1-CB 4.33Å; I115-L239 HydrophobicContact CD1-CD1 4.18Å; I115-L239 HydrophobicContact CG1-CB 4.14Å; I115-L239 HydrophobicContact CG1-CD1 3.73Å; I115-L239 HydrophobicContact CG1-CD2 3.79Å; I115-L239 HydrophobicContact CG1-CG 4.07Å; L215-L239 HydrophobicContact CD1-CD2 4.15Å; L215-L239 HydrophobicContact CD2-CD2 3.99Å; V235-L239 HydrophobicContact CG1-CD1 3.8Å; V235-L239 HydrophobicContact CG1-CG 4.13Å; V235-L239 VanDerWaalsContact O-CG 3.22Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 3.47Å; A236-L239 PolarHBondContact O-N 3.38Å; H237-L239 VanDerWaalsContact C-N 3.33Å; H237-L239 PolarHBondContact O-N 3.2Å; L239-A242 PolarHBondContact O-N 3.41Å; L239-V243 WeakPolarHBondContact O-CG2 3.34Å; L239-V243 PolarHBondContact O-N 3.44Å; L239-L312 HydrophobicContact CD1-CD1 4.45Å
240	K	98.6	Very high	96.8	Very high	70 Å²	70	41.5 Å²	41.5	30%	0.304	23%	0.233	S	C	.	.	H	α-helix	trans	-58.3	-51	173.2	172.5	178.8	177.3	-176.6	0	112.3	A236 H237 I238 A242 K244 V256 V258	A236-K240 PolarHBondContact O-N 3.25Å; H237-K240 WeakPolarHBondContact O-CB 3.48Å; H237-K240 PolarHBondContact O-N 3.02Å; I238-K240 VanDerWaalsContact C-N 3.3Å; I238-K240 PolarHBondContact O-N 3.17Å; K240-A242 VanDerWaalsContact C-N 3.32Å; K240-A242 PolarHBondContact O-N 3.22Å; K240-K244 VanDerWaalsContact O-CB 3.27Å; K240-K244 WeakPolarHBondContact O-CB 3.37Å; K240-K244 PolarHBondContact O-N 2.86Å; K240-V256 HydrophobicContact CB-CB 4Å; K240-V256 HydrophobicContact CB-CG1 3.94Å; K240-V256 HydrophobicContact CG-CB 4.28Å; K240-V256 WeakPolarHBondContact CG-O 2.96Å; K240-V258 HydrophobicContact CB-CG2 3.93Å; K240-V258 HydrophobicContact CD-CG2 4.02Å
241	E	98.4	Very high	96.6	Very high	42 Å²	42	41.7 Å²	41.7	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-34.2	177.7	-62.6	-51.3	124.2	0	0	111.8	L218 M222 H237 I238 K244 E245	L218-E241 HydrophobicContact CD1-CB 4.36Å; L218-E241 HydrophobicContact CD2-CB 4.24Å; M222-E241 HydrophobicContact CE-CG 4Å; H237-E241 PolarHBondContact O-N 3.11Å; H237-E241 VanDerWaalsContact O-N 3.1Å; I238-E241 PolarHBondContact O-N 3.41Å; E241-K244 PolarHBondContact O-N 2.9Å; E241-K244 IonicContact OE1-NZ 3.82Å; E241-K244 IonicContact OE2-NZ 3.3Å; E241-K244 PolarHBondContact OE2-NZ 3.32Å; E241-E245 WeakPolarHBondContact O-CB 3.4Å; E241-E245 WeakPolarHBondContact O-CG 3.31Å; E241-E245 PolarHBondContact O-N 3.49Å
242	A	98.4	Very high	96.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-45.2	177.6	0	0	0	0	0	112.6	L210 L215 L218 I238 L239 K240 A246	L210-A242 HydrophobicContact CD2-CB 3.94Å; L215-A242 HydrophobicContact CD2-CB 3.77Å; L218-A242 VanDerWaalsContact CD1-CA 3.46Å; L218-A242 HydrophobicContact CD1-CB 3.59Å; I238-A242 WeakPolarHBondContact O-CB 3.34Å; I238-A242 PolarHBondContact O-N 2.95Å; L239-A242 PolarHBondContact O-N 3.41Å; K240-A242 VanDerWaalsContact C-N 3.32Å; K240-A242 PolarHBondContact O-N 3.22Å; A242-A246 WeakPolarHBondContact O-CB 3.26Å; A242-A246 PolarHBondContact O-N 3.19Å
243	V	97.9	Very high	96	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-42.2	176.3	173.4	0	0	0	0	110.9	L210 L239 E245 A246 I254 V256	L210-V243 HydrophobicContact CD2-CG2 3.81Å; L239-V243 WeakPolarHBondContact O-CG2 3.34Å; L239-V243 PolarHBondContact O-N 3.44Å; V243-E245 VanDerWaalsContact C-N 3.35Å; V243-E245 PolarHBondContact O-N 3.42Å; V243-A246 WeakPolarHBondContact O-CB 3.37Å; V243-A246 PolarHBondContact O-N 3.38Å; V243-I254 HydrophobicContact CG1-CG2 4.37Å; V243-I254 WeakPolarHBondContact CG1-O 3.2Å; V243-V256 HydrophobicContact CB-CG2 3.72Å; V243-V256 HydrophobicContact CG1-CG2 3.99Å; V243-V256 HydrophobicContact CG2-CG2 3.65Å
244	K	96.2	Very high	95.9	Very high	139 Å²	139	42.1 Å²	42.1	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-62.1	-38.6	179.1	175.4	-177.8	157	-151.1	0	113.3	K240 E241	K240-K244 VanDerWaalsContact O-CB 3.27Å; K240-K244 WeakPolarHBondContact O-CB 3.37Å; K240-K244 PolarHBondContact O-N 2.86Å; E241-K244 PolarHBondContact O-N 2.9Å; E241-K244 IonicContact OE1-NZ 3.82Å; E241-K244 IonicContact OE2-NZ 3.3Å; E241-K244 PolarHBondContact OE2-NZ 3.32Å
245	E	95.8	Very high	95.8	Very high	90 Å²	90	41.7 Å²	41.7	42%	0.421	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0.5	178.8	-64.8	-175.5	-156.8	0	0	113.2	R214 E241 V243 T247	R214-E245 IonicContact CZ-OE2 3.09Å; R214-E245 VanDerWaalsContact CZ-OE2 3.28Å; R214-E245 IonicContact NH1-OE2 2.68Å; R214-E245 PolarHBondContact NH1-OE2 3.05Å; R214-E245 IonicContact NH2-OE2 3.7Å; R214-E245 PolarHBondContact NH2-OE2 3.25Å; E241-E245 WeakPolarHBondContact O-CB 3.4Å; E241-E245 WeakPolarHBondContact O-CG 3.31Å; E241-E245 PolarHBondContact O-N 3.49Å; V243-E245 VanDerWaalsContact C-N 3.35Å; V243-E245 PolarHBondContact O-N 3.42Å; E245-T247 PolarHBondContact O-N 2.75Å
246	A	95.7	Very high	95.8	Very high	24 Å²	24	41.8 Å²	41.8	20%	0.198	24%	0.235	C	C	.	.			trans	-71.3	129.4	179.1	0	0	0	0	0	110.8	P209 A242 V243 L251	P209-A246 HydrophobicContact CB-CB 3.85Å; A242-A246 WeakPolarHBondContact O-CB 3.26Å; A242-A246 PolarHBondContact O-N 3.19Å; V243-A246 WeakPolarHBondContact O-CB 3.37Å; V243-A246 PolarHBondContact O-N 3.38Å; A246-L251 HydrophobicContact CB-CB 4.24Å; A246-L251 HydrophobicContact CB-CD1 3.57Å
247	T	93.3	Very high	95.8	Very high	127 Å²	127	42.3 Å²	42.3	78%	0.779	24%	0.237	S	C	*	.			trans	-98.3	-3.1	178	55.1	0	0	0	0	113.1	E245 P249	E245-T247 PolarHBondContact O-N 2.75Å; T247-P249 WeakPolarHBondContact O-CD 3.45Å
248	E	92.7	Very high	95.8	Very high	69 Å²	69	39 Å²	39	32%	0.322	22%	0.221	S	C	.	.			trans	-63.7	125.1	-179.4	-67.1	-54.4	135.8	0	0	110.1	P209 G250 L251 A252	P209-E248 HydrophobicContact CB-CG 4.31Å; P209-E248 HydrophobicContact CG-CG 3.69Å; E248-G250 PolarHBondContact O-N 3.4Å; E248-G250 VanDerWaalsContact O-N 3.09Å; E248-L251 HydrophobicContact CB-CD1 4.28Å; E248-L251 HydrophobicContact CB-CG 4.37Å; E248-L251 PolarHBondContact O-N 3.3Å; E248-A252 PolarHBondContact O-N 2.93Å
249	P	91.8	Very high	95.8	Very high	108 Å²	108	39.2 Å²	39.2	70%	0.701	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-55.8	-31.9	-178.9	-27.2	34.5	0	0	0	113.4	T247 L251 A252	T247-P249 WeakPolarHBondContact O-CD 3.45Å; P249-L251 VanDerWaalsContact C-N 3.33Å; P249-L251 PolarHBondContact O-N 2.83Å; P249-A252 WeakPolarHBondContact O-CB 3.4Å; P249-A252 PolarHBondContact O-N 2.68Å
250	G	90.6	Very high	95.4	Very high	27 Å²	27	42.9 Å²	42.9	28%	0.278	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-59	-45.4	175.2	0	0	0	0	0	111.7	Y123 E248 A252	Y123-G250 PolarHBondContact OH-O 2.93Å; E248-G250 PolarHBondContact O-N 3.4Å; E248-G250 VanDerWaalsContact O-N 3.09Å; G250-A252 PolarHBondContact O-N 2.82Å
251	L	93.4	Very high	95	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-75.7	-5.7	-179	-64.9	173.8	0	0	0	113.4	L119 W201 P209 L210 A246 E248 P249 G253 I254	L119-L251 HydrophobicContact CD1-CD2 3.97Å; L119-L251 HydrophobicContact CD2-CD2 3.81Å; W201-L251 HydrophobicContact CD2-CD1 4.42Å; W201-L251 HydrophobicContact CD2-CD2 4.47Å; W201-L251 HydrophobicContact CD2-CG 4.29Å; W201-L251 HydrophobicContact CE3-CD1 4.4Å; W201-L251 HydrophobicContact CE3-CD2 3.71Å; W201-L251 HydrophobicContact CE3-CG 3.99Å; W201-L251 HydrophobicContact CH2-CD2 4.27Å; W201-L251 HydrophobicContact CH2-CG 4.26Å; W201-L251 HydrophobicContact CZ3-CD2 3.57Å; W201-L251 HydrophobicContact CZ3-CG 3.95Å; P209-L251 HydrophobicContact CB-CD1 4.09Å; P209-L251 HydrophobicContact CG-CD1 3.82Å; L210-L251 HydrophobicContact CD1-CD1 4.15Å; L210-L251 HydrophobicContact CD1-CD2 4.3Å; L210-L251 HydrophobicContact CG-CD1 4.27Å; A246-L251 HydrophobicContact CB-CB 4.24Å; A246-L251 HydrophobicContact CB-CD1 3.57Å; E248-L251 HydrophobicContact CB-CD1 4.28Å; E248-L251 HydrophobicContact CB-CG 4.37Å; E248-L251 PolarHBondContact O-N 3.3Å; P249-L251 VanDerWaalsContact C-N 3.33Å; P249-L251 PolarHBondContact O-N 2.83Å; L251-G253 PolarHBondContact O-N 3.03Å; L251-I254 HydrophobicContact CD2-CD1 4.49Å; L251-I254 PolarHBondContact O-N 2.86Å
252	A	90.6	Very high	94.7	Very high	46 Å²	46	46.8 Å²	46.8	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	130.6	173	0	0	0	0	0	110.2	E248 P249 G250 L303	E248-A252 PolarHBondContact O-N 2.93Å; P249-A252 WeakPolarHBondContact O-CB 3.4Å; P249-A252 PolarHBondContact O-N 2.68Å; G250-A252 PolarHBondContact O-N 2.82Å; A252-L303 HydrophobicContact CB-CD2 4.43Å
253	G	92.3	Very high	94.6	Very high	9 Å²	9	47.6 Å²	47.6	9%	0.093	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	11.3	-177	0	0	0	0	0	114.6	L251 Q307 A308	L251-G253 PolarHBondContact O-N 3.03Å; G253-Q307 CarbonylContact O-C 3.51Å; G253-Q307 VanDerWaalsContact O-CA 3.22Å; G253-Q307 WeakPolarHBondContact O-CA 3.31Å; G253-Q307 WeakPolarHBondContact O-CB 3.42Å; G253-A308 PolarHBondContact O-N 3.41Å
254	I	96.1	Very high	94.6	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.051	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.2	168.4	-56.1	178.4	0	0	0	108.7	L119 H122 Y123 V243 L251 A308 I310	L119-I254 HydrophobicContact CD2-CD1 3.47Å; L119-I254 VanDerWaalsContact CD2-CD1 3.47Å; H122-I254 HydrophobicContact CB-CD1 4.47Å; Y123-I254 HydrophobicContact CE2-CD1 4.27Å; Y123-I254 WeakPolarHBondContact OH-CD1 3.25Å; V243-I254 HydrophobicContact CG1-CG2 4.37Å; V243-I254 WeakPolarHBondContact CG1-O 3.2Å; L251-I254 HydrophobicContact CD2-CD1 4.49Å; L251-I254 PolarHBondContact O-N 2.86Å; I254-A308 WeakPolarHBondContact CA-O 3.5Å; I254-I310 HydrophobicContact CG2-CD1 3.93Å; I254-I310 HydrophobicContact CG2-CG1 4.21Å
255	T	97.2	Very high	94.6	Very high	30 Å²	30	41.9 Å²	41.9	18%	0.184	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	164.7	173.9	-170.5	0	0	0	0	111.1	C272 Q307 A308 V309 I310	T255-C272 HydrophobicContact CG2-CB 3.71Å; T255-C272 VanDerWaalsContact CG2-O 3.3Å; T255-C272 WeakPolarHBondContact CG2-O 3.45Å; T255-Q307 HydrophobicContact CG2-CB 4.47Å; T255-A308 PolarHBondContact N-O 3.48Å; T255-V309 HydrophobicContact CG2-CB 4.28Å; T255-V309 HydrophobicContact CG2-CG1 4.31Å; T255-V309 HydrophobicContact CG2-CG2 3.65Å; T255-V309 WeakPolarHBondContact O-CA 3.18Å; T255-I310 PolarHBondContact O-N 3.36Å
256	V	98.6	Very high	94.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.7	-179.2	-176	0	0	0	0	109.5	K240 V243 V258 I310 L312	K240-V256 HydrophobicContact CB-CB 4Å; K240-V256 HydrophobicContact CB-CG1 3.94Å; K240-V256 HydrophobicContact CG-CB 4.28Å; K240-V256 WeakPolarHBondContact CG-O 2.96Å; V243-V256 HydrophobicContact CB-CG2 3.72Å; V243-V256 HydrophobicContact CG1-CG2 3.99Å; V243-V256 HydrophobicContact CG2-CG2 3.65Å; V256-V258 HydrophobicContact CG1-CG2 4.3Å; V256-I310 CarbonylContact C-O 3.56Å; V256-I310 VanDerWaalsContact CA-O 3.31Å; V256-I310 WeakPolarHBondContact CA-O 3.45Å; V256-I310 HydrophobicContact CG2-CB 4.2Å; V256-I310 HydrophobicContact CG2-CD1 4.39Å; V256-L312 HydrophobicContact CG1-CD1 3.68Å; V256-L312 HydrophobicContact CG1-CG 3.96Å
257	Y	98.6	Very high	94.6	Very high	10 Å²	10	39.2 Å²	39.2	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.4	168.7	177.2	-94.3	0	0	0	109.7	V264 Y265 D268 V269 I310 I311 L312	Y257-V264 HydrophobicContact CE1-CG1 4Å; Y257-Y265 PolarHBondContact OH-N 3.17Å; Y257-D268 HydrophobicContact CD2-CB 4.26Å; Y257-D268 HydrophobicContact CE2-CB 3.59Å; Y257-V269 HydrophobicContact CD1-CG2 3.72Å; Y257-V269 HydrophobicContact CD2-CG2 4.02Å; Y257-V269 HydrophobicContact CE1-CG2 3.78Å; Y257-V269 HydrophobicContact CE2-CG2 4.1Å; Y257-V269 HydrophobicContact CG-CG2 3.82Å; Y257-I310 PolarHBondContact N-O 3.47Å; Y257-I311 HydrophobicContact CD1-CG2 4.08Å; Y257-L312 PolarHBondContact O-N 3.45Å
258	V	98.6	Very high	94.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.2	172.5	-174.6	0	0	0	0	107.7	A236 K240 V256 L312 P314	A236-V258 HydrophobicContact CB-CG1 4.02Å; A236-V258 HydrophobicContact CB-CG2 4.18Å; K240-V258 HydrophobicContact CB-CG2 3.93Å; K240-V258 HydrophobicContact CD-CG2 4.02Å; V256-V258 HydrophobicContact CG1-CG2 4.3Å; V258-L312 WeakPolarHBondContact CA-O 3.48Å; V258-L312 HydrophobicContact CG2-CB 4.28Å; V258-L312 HydrophobicContact CG2-CD1 4.44Å; V258-P314 HydrophobicContact CG1-CG 3.88Å
259	S	97.6	Very high	95	Very high	5 Å²	5	31 Å²	31	4%	0.035	19%	0.187	C	C	.	.			trans	-62.6	148.4	179.4	69.2	0	0	0	0	111.7	T263 L312 I313 P314	S259-T263 WeakPolarHBondContact CB-O 3.44Å; S259-L312 PolarHBondContact N-O 2.63Å; S259-I313 WeakPolarHBondContact OG-CA 3.22Å; S259-I313 WeakPolarHBondContact OG-CG2 3.4Å; S259-P314 WeakPolarHBondContact OG-CD 3.44Å
260	Q	92.1	Very high	95.2	Very high	77 Å²	77	29 Å²	29	36%	0.36	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-104.4	134.1	175.3	-60	-179.8	15.6	0	0	109.4	C262 T263 Y265 S441	Q260-C262 VanDerWaalsContact C-N 3.26Å; Q260-C262 PolarHBondContact O-N 3.22Å; Q260-C262 VanDerWaalsContact O-N 3.14Å; Q260-T263 PolarHBondContact N-O 2.94Å; Q260-T263 WeakPolarHBondContact O-CA 3.44Å; Q260-T263 VanDerWaalsContact O-CB 3.26Å; Q260-T263 WeakPolarHBondContact O-CB 3.49Å; Q260-T263 PolarHBondContact O-N 3.29Å; Q260-Y265 HydrophobicContact CB-CE2 4.48Å; Q260-S441 PolarHBondContact NE2-OG 3.46Å
261	D	89	Confident	95.4	Very high	149 Å²	149	30.1 Å²	30.1	80%	0.797	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	43.9	175.9	-56.6	-41.2	0	0	0	114.4	T263	D261-T263 PolarHBondContact O-N 3.2Å; D261-T263 VanDerWaalsContact O-N 3.17Å; D261-T263 PolarHBondContact O-OG1 2.85Å
262	C	92.9	Very high	95.5	Very high	45 Å²	45	31.3 Å²	31.3	30%	0.304	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	28.3	-175.4	-51.5	0	0	0	0	113.4	Q260 F434 T435	Q260-C262 VanDerWaalsContact C-N 3.26Å; Q260-C262 PolarHBondContact O-N 3.22Å; Q260-C262 VanDerWaalsContact O-N 3.14Å; C262-F434 HydrophobicContact CB-CB 4.21Å; C262-F434 CarbonylContact O-C 3.49Å; C262-F434 WeakPolarHBondContact O-CA 3.38Å; C262-F434 WeakPolarHBondContact O-CB 3.38Å; C262-T435 PolarHBondContact O-N 2.78Å
263	T	95.3	Very high	95.8	Very high	18 Å²	18	29.5 Å²	29.5	11%	0.11	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.8	-178.6	-56.5	0	0	0	0	110.5	S259 Q260 D261 Y265 T435 V437	S259-T263 WeakPolarHBondContact CB-O 3.44Å; Q260-T263 PolarHBondContact N-O 2.94Å; Q260-T263 WeakPolarHBondContact O-CA 3.44Å; Q260-T263 VanDerWaalsContact O-CB 3.26Å; Q260-T263 WeakPolarHBondContact O-CB 3.49Å; Q260-T263 PolarHBondContact O-N 3.29Å; D261-T263 PolarHBondContact O-N 3.2Å; D261-T263 VanDerWaalsContact O-N 3.17Å; D261-T263 PolarHBondContact O-OG1 2.85Å; T263-Y265 HydrophobicContact CG2-CD2 4.27Å; T263-Y265 HydrophobicContact CG2-CE1 4.12Å; T263-Y265 HydrophobicContact CG2-CE2 3.87Å; T263-T435 WeakPolarHBondContact CA-O 3.32Å; T263-T435 HydrophobicContact CG2-CG2 4.36Å; T263-V437 HydrophobicContact CG2-CB 4.05Å; T263-V437 HydrophobicContact CG2-CG2 3.53Å
264	V	97.3	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.1	173.2	-177.9	0	0	0	0	108.6	Y257 V269 I313 F434 T435 F436 V437	Y257-V264 HydrophobicContact CE1-CG1 4Å; V264-V269 HydrophobicContact CG1-CG2 3.81Å; V264-I313 HydrophobicContact CG2-CD1 3.53Å; V264-I313 HydrophobicContact CG2-CG1 3.99Å; V264-F434 HydrophobicContact CG2-CD2 4.4Å; V264-T435 PolarHBondContact N-O 3.43Å; V264-F436 HydrophobicContact CB-CD1 3.65Å; V264-F436 HydrophobicContact CB-CE1 3.77Å; V264-F436 HydrophobicContact CB-CG 4.48Å; V264-F436 HydrophobicContact CG1-CD1 3.77Å; V264-F436 HydrophobicContact CG1-CE1 3.67Å; V264-F436 HydrophobicContact CG2-CD1 4.45Å; V264-F436 HydrophobicContact CG2-CE1 4.18Å; V264-F436 WeakPolarHBondContact O-CA 3.45Å; V264-V437 PolarHBondContact O-N 3.03Å
265	Y	97.3	Very high	94.7	Very high	24 Å²	24	35.8 Å²	35.8	9%	0.094	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.3	176.8	-69.3	-80.5	0	0	0	109.6	Y257 Q260 T263 L267 D268 V269 V437 G439 Y444	Y257-Y265 PolarHBondContact OH-N 3.17Å; Q260-Y265 HydrophobicContact CB-CE2 4.48Å; T263-Y265 HydrophobicContact CG2-CD2 4.27Å; T263-Y265 HydrophobicContact CG2-CE1 4.12Å; T263-Y265 HydrophobicContact CG2-CE2 3.87Å; Y265-L267 VanDerWaalsContact C-N 3.29Å; Y265-L267 PolarHBondContact O-N 3.43Å; Y265-D268 VanDerWaalsContact CB-OD2 3.26Å; Y265-D268 WeakPolarHBondContact CB-OD2 3.43Å; Y265-D268 PolarHBondContact O-N 2.82Å; Y265-D268 VanDerWaalsContact O-N 3.14Å; Y265-V269 PolarHBondContact O-N 3.18Å; Y265-V437 HydrophobicContact CD1-CB 3.98Å; Y265-V437 HydrophobicContact CD1-CG1 3.99Å; Y265-V437 HydrophobicContact CE1-CB 4.08Å; Y265-V437 HydrophobicContact CE1-CG1 3.99Å; Y265-G439 CarbonylContact C-O 3.53Å; Y265-Y444 HydrophobicContact CD1-CD2 4.27Å; Y265-Y444 HydrophobicContact CD1-CE2 4.34Å; Y265-Y444 AromaticContact CE1-CD2 3.43Å; Y265-Y444 HydrophobicContact CE1-CD2 3.43Å; Y265-Y444 VanDerWaalsContact CE1-CD2 3.43Å; Y265-Y444 AromaticContact CE1-CE2 3.76Å; Y265-Y444 HydrophobicContact CE1-CE2 3.76Å; Y265-Y444 HydrophobicContact CE1-CG 4.22Å
266	S	96.3	Very high	93.4	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.028	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-35.2	-170.2	-67	0	0	0	0	113.8	M270 Y414 R418 V437	S266-M270 WeakPolarHBondContact O-CB 3.29Å; S266-M270 WeakPolarHBondContact O-CG 3.3Å; S266-M270 PolarHBondContact O-N 3.45Å; S266-Y414 WeakPolarHBondContact CA-OH 3.47Å; S266-Y414 PolarHBondContact OG-OH 3.46Å; S266-Y414 VanDerWaalsContact OG-OH 3.12Å; S266-R418 WeakPolarHBondContact OG-CD 3.12Å; S266-V437 PolarHBondContact N-O 2.98Å
267	L	95.8	Very high	91.4	Very high	54 Å²	54	45.8 Å²	45.8	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-72.5	-31.7	179.9	-62	-175.7	0	0	0	112	Y265 M270 D271 G439 R440	Y265-L267 VanDerWaalsContact C-N 3.29Å; Y265-L267 PolarHBondContact O-N 3.43Å; L267-M270 PolarHBondContact O-N 2.83Å; L267-D271 VanDerWaalsContact O-CB 3.3Å; L267-D271 WeakPolarHBondContact O-CB 3.22Å; L267-D271 PolarHBondContact O-N 2.82Å; L267-G439 WeakPolarHBondContact CB-O 3.23Å; L267-G439 PolarHBondContact N-O 3.43Å; L267-R440 HydrophobicContact CB-CG 3.72Å; L267-R440 HydrophobicContact CD1-CG 4.26Å
268	D	96.6	Very high	88.8	Confident	25 Å²	25	50.7 Å²	50.7	13%	0.134	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-41.9	176.2	-62.1	-14.3	0	0	0	111.1	Y257 Y265 D271 C272 R440 S441	Y257-D268 HydrophobicContact CD2-CB 4.26Å; Y257-D268 HydrophobicContact CE2-CB 3.59Å; Y265-D268 VanDerWaalsContact CB-OD2 3.26Å; Y265-D268 WeakPolarHBondContact CB-OD2 3.43Å; Y265-D268 PolarHBondContact O-N 2.82Å; Y265-D268 VanDerWaalsContact O-N 3.14Å; D268-D271 PolarHBondContact O-N 3.19Å; D268-C272 PolarHBondContact O-N 3.23Å; D268-C272 PolarHBondContact O-SG 3.32Å; D268-R440 VanDerWaalsContact OD1-CA 3.25Å; D268-R440 WeakPolarHBondContact OD1-CA 3.2Å; D268-R440 VanDerWaalsContact OD1-CB 3.27Å; D268-R440 WeakPolarHBondContact OD1-CB 3.4Å; D268-R440 WeakPolarHBondContact OD1-CG 3.47Å; D268-S441 PolarHBondContact OD1-N 3.4Å; D268-S441 VanDerWaalsContact OD2-CB 3.31Å; D268-S441 WeakPolarHBondContact OD2-CB 3.3Å; D268-S441 PolarHBondContact OD2-N 3.27Å; D268-S441 PolarHBondContact OD2-OG 3.31Å
269	V	97.1	Very high	86.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-41.2	176	-175.1	0	0	0	0	110.9	Y257 V264 Y265 D271 C272 H273 V309 I311 Y414	Y257-V269 HydrophobicContact CD1-CG2 3.72Å; Y257-V269 HydrophobicContact CD2-CG2 4.02Å; Y257-V269 HydrophobicContact CE1-CG2 3.78Å; Y257-V269 HydrophobicContact CE2-CG2 4.1Å; Y257-V269 HydrophobicContact CG-CG2 3.82Å; V264-V269 HydrophobicContact CG1-CG2 3.81Å; Y265-V269 PolarHBondContact O-N 3.18Å; V269-D271 VanDerWaalsContact C-N 3.33Å; V269-D271 PolarHBondContact O-N 2.91Å; V269-C272 VanDerWaalsContact O-CB 3.32Å; V269-C272 WeakPolarHBondContact O-CB 3.38Å; V269-C272 PolarHBondContact O-N 3.45Å; V269-H273 PolarHBondContact O-CD2 3.46Å; V269-H273 PolarHBondContact O-N 3.38Å; V269-V309 HydrophobicContact CG1-CG1 4.23Å; V269-I311 HydrophobicContact CG1-CD1 3.86Å; V269-I311 HydrophobicContact CG1-CG1 4.18Å; V269-Y414 HydrophobicContact CB-CD1 4.37Å; V269-Y414 HydrophobicContact CB-CD2 4.28Å; V269-Y414 HydrophobicContact CB-CE1 4.03Å; V269-Y414 HydrophobicContact CB-CE2 3.94Å; V269-Y414 HydrophobicContact CB-CG 4.48Å; V269-Y414 HydrophobicContact CG1-CD1 4.08Å; V269-Y414 HydrophobicContact CG1-CD2 3.49Å; V269-Y414 VanDerWaalsContact CG1-CD2 3.49Å; V269-Y414 HydrophobicContact CG1-CE1 4.18Å; V269-Y414 HydrophobicContact CG1-CE2 3.6Å; V269-Y414 HydrophobicContact CG1-CG 3.74Å; V269-Y414 HydrophobicContact CG2-CE2 4.08Å
270	M	95.9	Very high	83.8	Confident	64 Å²	64	61.3 Å²	61.3	32%	0.315	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-36	175.8	-70.2	-70.6	-75.1	0	0	112.4	S266 L267 C272 H273 A411 Y414	S266-M270 WeakPolarHBondContact O-CB 3.29Å; S266-M270 WeakPolarHBondContact O-CG 3.3Å; S266-M270 PolarHBondContact O-N 3.45Å; L267-M270 PolarHBondContact O-N 2.83Å; M270-C272 VanDerWaalsContact C-N 3.33Å; M270-H273 PolarHBondContact O-N 3.2Å; M270-A411 HydrophobicContact CE-CB 3.84Å; M270-A411 HydrophobicContact SD-CB 3.8Å; M270-Y414 HydrophobicContact CG-CD1 4.01Å; M270-Y414 HydrophobicContact CG-CE1 4.15Å; M270-Y414 HydrophobicContact SD-CD1 3.74Å; M270-Y414 HydrophobicContact SD-CE1 4.43Å
271	D	94.8	Very high	81.5	Confident	52 Å²	52	62.4 Å²	62.4	28%	0.278	37%	0.373	S	S	.	.	H	α-helix	trans	-68.3	-35.1	174.4	-73	-21.5	0	0	0	110.6	L267 D268 V269 H273 K274 R440	L267-D271 VanDerWaalsContact O-CB 3.3Å; L267-D271 WeakPolarHBondContact O-CB 3.22Å; L267-D271 PolarHBondContact O-N 2.82Å; D268-D271 PolarHBondContact O-N 3.19Å; V269-D271 VanDerWaalsContact C-N 3.33Å; V269-D271 PolarHBondContact O-N 2.91Å; D271-H273 PolarHBondContact O-N 3.34Å; D271-K274 WeakPolarHBondContact O-CB 3.33Å; D271-K274 PolarHBondContact O-N 3.13Å; D271-K274 VanDerWaalsContact O-N 3.09Å; D271-K274 IonicContact OD1-NZ 2.64Å; D271-K274 PolarHBondContact OD1-NZ 3.03Å; D271-R440 IonicContact OD1-NH2 3.62Å; D271-R440 IonicContact OD2-CZ 3.53Å; D271-R440 IonicContact OD2-NE 2.76Å; D271-R440 PolarHBondContact OD2-NE 3.49Å; D271-R440 IonicContact OD2-NH2 3.69Å; D271-R440 PolarHBondContact OD2-NH2 2.76Å
272	C	95.5	Very high	79.2	Confident	30 Å²	30	60.2 Å²	60.2	20%	0.203	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-27.2	171.2	-67.4	0	0	0	0	113.4	T255 D268 V269 M270 K274 Q307 V309	T255-C272 HydrophobicContact CG2-CB 3.71Å; T255-C272 VanDerWaalsContact CG2-O 3.3Å; T255-C272 WeakPolarHBondContact CG2-O 3.45Å; D268-C272 PolarHBondContact O-N 3.23Å; D268-C272 PolarHBondContact O-SG 3.32Å; V269-C272 VanDerWaalsContact O-CB 3.32Å; V269-C272 WeakPolarHBondContact O-CB 3.38Å; V269-C272 PolarHBondContact O-N 3.45Å; M270-C272 VanDerWaalsContact C-N 3.33Å; C272-K274 VanDerWaalsContact C-N 3.28Å; C272-K274 PolarHBondContact O-N 3.23Å; C272-Q307 PolarHBondContact O-OE1 3.49Å; C272-V309 HydrophobicContact CB-CG1 4.17Å; C272-V309 HydrophobicContact CB-CG2 3.66Å
273	H	96.1	Very high	76.6	Confident	7 Å²	7	62.6 Å²	62.6	3%	0.032	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.6	175.6	-83.6	-64.8	0	0	0	113.7	V269 M270 D271 T306 Q307 V309 S408 S410 A411	V269-H273 PolarHBondContact O-CD2 3.46Å; V269-H273 PolarHBondContact O-N 3.38Å; M270-H273 PolarHBondContact O-N 3.2Å; D271-H273 PolarHBondContact O-N 3.34Å; H273-T306 WeakPolarHBondContact O-CA 3.19Å; H273-Q307 PolarHBondContact ND1-O 3.36Å; H273-Q307 PolarHBondContact O-N 3.04Å; H273-V309 HydrophobicContact CB-CG2 4.39Å; H273-V309 WeakPolarHBondContact CE1-CG2 3.45Å; H273-V309 WeakPolarHBondContact ND1-CG2 3.14Å; H273-S408 PolarHBondContact CE1-O 2.9Å; H273-S408 PolarHBondContact CE1-OG 3.41Å; H273-S408 PolarHBondContact NE2-OG 3.3Å; H273-S410 PolarHBondContact CE1-O 3.25Å; H273-S410 PolarHBondContact NE2-O 2.84Å; H273-A411 HydrophobicContact CB-CB 4.26Å
274	K	91.8	Very high	73.7	Confident	121 Å²	121	64.7 Å²	64.7	53%	0.526	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-85.6	139.7	-179.5	-62.2	172.1	-172.5	164.8	0	110	D271 C272	D271-K274 WeakPolarHBondContact O-CB 3.33Å; D271-K274 PolarHBondContact O-N 3.13Å; D271-K274 VanDerWaalsContact O-N 3.09Å; D271-K274 IonicContact OD1-NZ 2.64Å; D271-K274 PolarHBondContact OD1-NZ 3.03Å; C272-K274 VanDerWaalsContact C-N 3.28Å; C272-K274 PolarHBondContact O-N 3.23Å
275	A	75.3	Confident	70.9	Confident	31 Å²	31	71.9 Å²	71.9	26%	0.256	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-59.4	143.1	170	0	0	0	0	0	110.9	K277 P304 E305	A275-K277 PolarHBondContact O-N 3.41Å; A275-K277 VanDerWaalsContact O-N 3.15Å; A275-P304 WeakPolarHBondContact CB-O 3.14Å; A275-E305 WeakPolarHBondContact CB-O 3.29Å; A275-E305 PolarHBondContact N-O 3.19Å
276	P	68.8	Low	68	Low	83 Å²	83	75.3 Å²	75.3	54%	0.539	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-56.6	122.3	169.5	-18.5	29.1	0	0	0	109	A278	P276-A278 PolarHBondContact O-N 3.24Å
277	K	56.1	Low	65.2	Low	159 Å²	159	85 Å²	85	69%	0.691	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-63.8	125.1	173	-68.6	-179.6	-177	172.5	0	107.9	A275 G279	A275-K277 PolarHBondContact O-N 3.41Å; A275-K277 VanDerWaalsContact O-N 3.15Å; K277-G279 PolarHBondContact O-N 3.41Å
278	A	44.7	Very low	62.4	Low	113 Å²	113	85.5 Å²	85.5	93%	0.934	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	104.4	171.4	0	0	0	0	0	108.7	P276	P276-A278 PolarHBondContact O-N 3.24Å
279	G	48.3	Very low	59.9	Low	71 Å²	71	90 Å²	90	73%	0.732	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	138	-9.6	176	0	0	0	0	0	117.8	K277	K277-G279 PolarHBondContact O-N 3.41Å
280	E	42.9	Very low	57.3	Low	160 Å²	160	96.1 Å²	96.1	75%	0.748	64%	0.637	S	S	*	*			trans	-97.8	9.7	-177.9	-77.7	176.3	-178.1	0	0	114.8	S282	E280-S282 PolarHBondContact O-N 3.19Å
281	A	43	Very low	54.4	Low	101 Å²	101	99.9 Å²	99.9	84%	0.835	66%	0.664	S	S	*	*			trans	-98.4	66.6	173.1	0	0	0	0	0	111.9
282	S	40.6	Very low	51.7	Low	102 Å²	102	103.8 Å²	103.8	71%	0.713	69%	0.689	S	S	*	*			trans	-177.1	91.8	150.8	48	0	0	0	0	111.4	E280 G284	E280-S282 PolarHBondContact O-N 3.19Å; S282-G284 VanDerWaalsContact C-N 3.28Å; S282-G284 PolarHBondContact O-N 2.93Å
283	G	39.4	Very low	49	Very low	95 Å²	95	110.5 Å²	110.5	98%	0.979	72%	0.718	S	S	*	*			trans	-68.7	90.2	154.4	0	0	0	0	0	108.9
284	G	34	Very low	46.1	Very low	62 Å²	62	119.3 Å²	119.3	64%	0.639	76%	0.759	S	S	*	*			trans	-158.9	101.3	177.7	0	0	0	0	0	110.4	S282 A286	S282-G284 VanDerWaalsContact C-N 3.28Å; S282-G284 PolarHBondContact O-N 2.93Å; G284-A286 PolarHBondContact O-N 3.32Å
285	T	38.4	Very low	43.6	Very low	151 Å²	151	119.3 Å²	119.3	93%	0.926	77%	0.769	S	S	*	*			trans	-52	122.2	170.7	38.3	0	0	0	0	112.1
286	A	36.1	Very low	41.5	Very low	97 Å²	97	126.8 Å²	126.8	80%	0.802	80%	0.798	S	S	*	*			trans	-163.2	114.1	146.7	0	0	0	0	0	109.9	G284	G284-A286 PolarHBondContact O-N 3.32Å
287	E	38.9	Very low	40.4	Very low	208 Å²	208	131.3 Å²	131.3	97%	0.972	82%	0.817	S	S	*	*			trans	-66.4	131.5	163.5	-71.1	-178.5	148.7	0	0	109.8
288	G	37	Very low	39.4	Very low	64 Å²	64	128.3 Å²	128.3	66%	0.66	82%	0.816	S	S	*	*			trans	-160.4	142.2	168.8	0	0	0	0	0	110.4
289	P	42.9	Very low	39.2	Very low	120 Å²	120	128 Å²	128	78%	0.779	81%	0.813	S	S	*	*			trans	-78.6	162.8	-168.6	32.9	-34.5	0	0	0	112.9
290	P	42.9	Very low	38.8	Very low	127 Å²	127	129.4 Å²	129.4	83%	0.825	81%	0.808	S	S	*	*			trans	-79.4	137.6	-167.9	32.7	-32.7	0	0	0	111.4
291	V	34.9	Very low	38.9	Very low	143 Å²	143	126.4 Å²	126.4	87%	0.867	81%	0.811	S	S	*	*			trans	-119.1	137.9	165.8	-176.5	0	0	0	0	108.5
292	V	37.9	Very low	39.4	Very low	135 Å²	135	129.6 Å²	129.6	82%	0.818	81%	0.81	S	S	*	*			trans	-67.3	145.9	-161.4	-171.6	0	0	0	0	113.4
293	E	39.6	Very low	40.3	Very low	170 Å²	170	130.1 Å²	130.1	79%	0.794	80%	0.804	S	S	*	*			trans	-55.6	140.6	177.7	-64.1	175.6	152	0	0	114.4
294	H	34.8	Very low	41.3	Very low	193 Å²	193	128.5 Å²	128.5	89%	0.894	78%	0.777	S	S	*	*			trans	-133.1	123.6	145.1	-88	-74.6	0	0	0	109.8
295	T	39.7	Very low	43.1	Very low	121 Å²	121	134 Å²	134	74%	0.742	79%	0.786	S	S	*	*			trans	-66	124.5	-177.2	-23	0	0	0	0	111.9
296	E	31.2	Very low	45.4	Very low	188 Å²	188	131.2 Å²	131.2	88%	0.879	77%	0.769	S	S	*	*			trans	-139.9	123.3	150.5	-72	-162.3	168.6	0	0	109.7	S298	E296-S298 PolarHBondContact O-N 2.98Å
297	L	45.6	Very low	48.1	Very low	177 Å²	177	128.2 Å²	128.2	93%	0.927	74%	0.738	S	S	*	*			trans	-67.1	109.1	-179.6	-72.3	97.5	0	0	0	109.9
298	S	35.3	Very low	50.9	Low	97 Å²	97	118.5 Å²	118.5	68%	0.678	69%	0.693	S	S	*	*			trans	-104.1	121.4	163.9	-175.8	0	0	0	0	108.8	E296 T300	E296-S298 PolarHBondContact O-N 2.98Å; S298-T300 VanDerWaalsContact C-N 3.27Å; S298-T300 PolarHBondContact O-N 3.03Å
299	A	40.3	Very low	53.8	Low	105 Å²	105	115.4 Å²	115.4	87%	0.868	66%	0.662	S	S	*	*			trans	-66.3	85	174.5	0	0	0	0	0	109.6	A301	A299-A301 PolarHBondContact O-N 3.27Å
300	T	39.5	Very low	56.5	Low	102 Å²	102	109.8 Å²	109.8	63%	0.626	63%	0.625	S	S	*	*			trans	-73.7	119.6	168.9	37.5	0	0	0	0	108.4	S298 M302	S298-T300 VanDerWaalsContact C-N 3.27Å; S298-T300 PolarHBondContact O-N 3.03Å; T300-M302 PolarHBondContact O-N 3.46Å
301	A	45.2	Very low	59.2	Low	97 Å²	97	103.9 Å²	103.9	80%	0.802	59%	0.587	S	S	*	*			trans	-52.8	112.7	168.6	0	0	0	0	0	108.2	A299 L303	A299-A301 PolarHBondContact O-N 3.27Å; A301-L303 PolarHBondContact O-N 3.43Å; A301-L303 VanDerWaalsContact O-N 3.11Å
302	M	53	Low	62.2	Low	167 Å²	167	97.1 Å²	97.1	82%	0.823	55%	0.545	S	S	*	.			trans	-58.8	115.8	177.9	-71.5	-82.5	136	0	0	107.9	T300	T300-M302 PolarHBondContact O-N 3.46Å
303	L	59	Low	65.1	Low	113 Å²	113	90.7 Å²	90.7	59%	0.592	51%	0.507	S	S	*	.			trans	-61	145.8	171.3	-75	170.4	0	0	0	108.8	A252 A301 E305	A252-L303 HydrophobicContact CB-CD2 4.43Å; A301-L303 PolarHBondContact O-N 3.43Å; A301-L303 VanDerWaalsContact O-N 3.11Å; L303-E305 PolarHBondContact O-N 3.2Å
304	P	61.6	Low	67.9	Low	61 Å²	61	83.5 Å²	83.5	40%	0.396	47%	0.474	S	S	.	.			trans	-55.3	131.6	175.3	-22	32.5	0	0	0	110.2	A275 T306	A275-P304 WeakPolarHBondContact CB-O 3.14Å; P304-T306 WeakPolarHBondContact CB-O 3.25Å; P304-T306 PolarHBondContact O-N 3.42Å; P304-T306 VanDerWaalsContact O-N 3.08Å
305	E	71.4	Confident	70.9	Confident	178 Å²	178	74.7 Å²	74.7	83%	0.832	43%	0.434	S	S	*	.	S	Bend	trans	-60.8	-18.6	178	-69.1	-176	167.4	0	0	112.6	A275 L303	A275-E305 WeakPolarHBondContact CB-O 3.29Å; A275-E305 PolarHBondContact N-O 3.19Å; L303-E305 PolarHBondContact O-N 3.2Å
306	T	86.4	Confident	73.5	Confident	93 Å²	93	76.8 Å²	76.8	57%	0.571	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-133.6	139.5	179.1	60.9	0	0	0	0	111	H273 P304	H273-T306 WeakPolarHBondContact O-CA 3.19Å; P304-T306 WeakPolarHBondContact CB-O 3.25Å; P304-T306 PolarHBondContact O-N 3.42Å; P304-T306 VanDerWaalsContact O-N 3.08Å
307	Q	93.6	Very high	76.5	Confident	33 Å²	33	68 Å²	68	15%	0.154	39%	0.388	C	S	.	.			trans	-102.9	146.8	176.1	-54.9	-164.9	-44.5	0	0	111.2	G253 T255 C272 H273	G253-Q307 CarbonylContact O-C 3.51Å; G253-Q307 VanDerWaalsContact O-CA 3.22Å; G253-Q307 WeakPolarHBondContact O-CA 3.31Å; G253-Q307 WeakPolarHBondContact O-CB 3.42Å; T255-Q307 HydrophobicContact CG2-CB 4.47Å; C272-Q307 PolarHBondContact O-OE1 3.49Å; H273-Q307 PolarHBondContact ND1-O 3.36Å; H273-Q307 PolarHBondContact O-N 3.04Å
308	A	97.1	Very high	78.8	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.033	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	145.8	163.7	0	0	0	0	0	109.9	G253 I254 T255 Y407 S408	G253-A308 PolarHBondContact O-N 3.41Å; I254-A308 WeakPolarHBondContact CA-O 3.5Å; T255-A308 PolarHBondContact N-O 3.48Å; A308-Y407 HydrophobicContact CB-CE2 3.92Å; A308-S408 CarbonylContact C-O 3.53Å; A308-S408 WeakPolarHBondContact CA-O 3.34Å
309	V	98.5	Very high	81.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.7	-176.4	-175.9	0	0	0	0	110.1	T255 V269 C272 H273 I311 S408	T255-V309 HydrophobicContact CG2-CB 4.28Å; T255-V309 HydrophobicContact CG2-CG1 4.31Å; T255-V309 HydrophobicContact CG2-CG2 3.65Å; T255-V309 WeakPolarHBondContact O-CA 3.18Å; V269-V309 HydrophobicContact CG1-CG1 4.23Å; C272-V309 HydrophobicContact CB-CG1 4.17Å; C272-V309 HydrophobicContact CB-CG2 3.66Å; H273-V309 HydrophobicContact CB-CG2 4.39Å; H273-V309 WeakPolarHBondContact CE1-CG2 3.45Å; H273-V309 WeakPolarHBondContact ND1-CG2 3.14Å; V309-I311 HydrophobicContact CG1-CG1 3.88Å; V309-S408 PolarHBondContact N-O 2.91Å; V309-S408 PolarHBondContact O-N 2.84Å
310	I	98.8	Very high	83.9	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.5	166.2	-57.6	174.1	0	0	0	107.5	I115 A118 I254 T255 V256 Y257 L312 I340 Y407	I115-I310 HydrophobicContact CD1-CD1 3.99Å; I115-I310 HydrophobicContact CD1-CG2 3.93Å; I115-I310 HydrophobicContact CG2-CD1 4.34Å; A118-I310 HydrophobicContact CB-CD1 3.61Å; A118-I310 HydrophobicContact CB-CG1 3.85Å; A118-I310 HydrophobicContact CB-CG2 4.48Å; I254-I310 HydrophobicContact CG2-CD1 3.93Å; I254-I310 HydrophobicContact CG2-CG1 4.21Å; T255-I310 PolarHBondContact O-N 3.36Å; V256-I310 CarbonylContact C-O 3.56Å; V256-I310 VanDerWaalsContact CA-O 3.31Å; V256-I310 WeakPolarHBondContact CA-O 3.45Å; V256-I310 HydrophobicContact CG2-CB 4.2Å; V256-I310 HydrophobicContact CG2-CD1 4.39Å; Y257-I310 PolarHBondContact N-O 3.47Å; I310-L312 HydrophobicContact CG2-CD2 3.84Å; I310-L312 HydrophobicContact CG2-CG 4.23Å; I310-I340 HydrophobicContact CG2-CD1 3.74Å; I310-Y407 HydrophobicContact CG1-CD2 4.24Å
311	I	98.8	Very high	86.4	Confident	4 Å²	4	66 Å²	66	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.7	-176.4	-56.1	169.8	0	0	0	108.1	Y257 V269 V309 I313 G405 F406 Y414	Y257-I311 HydrophobicContact CD1-CG2 4.08Å; V269-I311 HydrophobicContact CG1-CD1 3.86Å; V269-I311 HydrophobicContact CG1-CG1 4.18Å; V309-I311 HydrophobicContact CG1-CG1 3.88Å; I311-I313 HydrophobicContact CG2-CD1 4.34Å; I311-I313 HydrophobicContact CG2-CG1 4.08Å; I311-G405 CarbonylContact O-C 3.31Å; I311-G405 WeakPolarHBondContact O-CA 3.09Å; I311-F406 HydrophobicContact CB-CB 4.29Å; I311-F406 PolarHBondContact N-O 3.39Å; I311-F406 PolarHBondContact O-N 3.34Å; I311-Y414 HydrophobicContact CD1-CD2 3.56Å; I311-Y414 HydrophobicContact CD1-CE2 3.92Å
312	L	98.9	Very high	88.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126	178.6	-56.2	-176.2	0	0	0	109.6	M114 A236 L239 V256 Y257 V258 S259 I310 P314 T403 F404	M114-L312 HydrophobicContact CG-CD2 4.46Å; M114-L312 HydrophobicContact SD-CD2 3.59Å; M114-L312 VanDerWaalsContact SD-CD2 3.59Å; A236-L312 HydrophobicContact CB-CB 4.04Å; A236-L312 HydrophobicContact CB-CD1 3.74Å; L239-L312 HydrophobicContact CD1-CD1 4.45Å; V256-L312 HydrophobicContact CG1-CD1 3.68Å; V256-L312 HydrophobicContact CG1-CG 3.96Å; Y257-L312 PolarHBondContact O-N 3.45Å; V258-L312 WeakPolarHBondContact CA-O 3.48Å; V258-L312 HydrophobicContact CG2-CB 4.28Å; V258-L312 HydrophobicContact CG2-CD1 4.44Å; S259-L312 PolarHBondContact N-O 2.63Å; I310-L312 HydrophobicContact CG2-CD2 3.84Å; I310-L312 HydrophobicContact CG2-CG 4.23Å; L312-P314 WeakPolarHBondContact O-CD 3.44Å; L312-T403 HydrophobicContact CB-CG2 3.97Å; L312-F404 WeakPolarHBondContact CA-O 2.97Å
313	I	98.6	Very high	90.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	91.7	-177.4	-48.1	-178.3	0	0	0	109.4	S259 V264 I311 V315 T403 F404 F406 F434	S259-I313 WeakPolarHBondContact OG-CA 3.22Å; S259-I313 WeakPolarHBondContact OG-CG2 3.4Å; V264-I313 HydrophobicContact CG2-CD1 3.53Å; V264-I313 HydrophobicContact CG2-CG1 3.99Å; I311-I313 HydrophobicContact CG2-CD1 4.34Å; I311-I313 HydrophobicContact CG2-CG1 4.08Å; I313-V315 HydrophobicContact CG2-CG1 3.93Å; I313-T403 WeakPolarHBondContact O-CA 3.47Å; I313-F404 HydrophobicContact CB-CB 4.45Å; I313-F404 PolarHBondContact N-O 2.97Å; I313-F404 PolarHBondContact O-N 3.23Å; I313-F406 HydrophobicContact CD1-CD2 4.12Å; I313-F406 HydrophobicContact CD1-CE2 3.8Å; I313-F406 HydrophobicContact CG1-CE2 4.42Å; I313-F434 HydrophobicContact CD1-CD1 4.36Å; I313-F434 HydrophobicContact CD1-CD2 3.87Å; I313-F434 HydrophobicContact CD1-CE1 4.11Å; I313-F434 HydrophobicContact CD1-CE2 3.62Å; I313-F434 HydrophobicContact CD1-CG 4.25Å; I313-F434 HydrophobicContact CD1-CZ 3.76Å; I313-F434 HydrophobicContact CG2-CB 3.8Å; I313-F434 HydrophobicContact CG2-CD1 3.94Å; I313-F434 HydrophobicContact CG2-CD2 4.31Å; I313-F434 HydrophobicContact CG2-CG 3.79Å
314	P	98.4	Very high	92.3	Very high	18 Å²	18	55.4 Å²	55.4	12%	0.117	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132	171.3	-18.2	32.5	0	0	0	110.7	A233 A236 V258 S259 L312 T403	A233-P314 HydrophobicContact CB-CB 3.59Å; A233-P314 HydrophobicContact CB-CG 4.04Å; A236-P314 HydrophobicContact CB-CG 4.14Å; V258-P314 HydrophobicContact CG1-CG 3.88Å; S259-P314 WeakPolarHBondContact OG-CD 3.44Å; L312-P314 WeakPolarHBondContact O-CD 3.44Å; P314-T403 HydrophobicContact CG-CG2 4.3Å
315	V	97.1	Very high	93.8	Very high	8 Å²	8	57.3 Å²	57.3	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	166	-178.8	-61.5	0	0	0	0	111.9	I313 L317 C402 F404 A433 F434	I313-V315 HydrophobicContact CG2-CG1 3.93Å; V315-L317 HydrophobicContact CB-CD2 4.4Å; V315-L317 HydrophobicContact CG2-CD2 3.87Å; V315-L317 HydrophobicContact CG2-CG 3.95Å; V315-C402 WeakPolarHBondContact CG2-SG 3.45Å; V315-C402 PolarHBondContact N-O 3.05Å; V315-C402 PolarHBondContact O-N 3.33Å; V315-C402 VanDerWaalsContact O-O 3.09Å; V315-F404 HydrophobicContact CG1-CD2 4.17Å; V315-F404 HydrophobicContact CG1-CE2 4.36Å; V315-F404 HydrophobicContact CG2-CD2 3.75Å; V315-F404 HydrophobicContact CG2-CE2 3.53Å; V315-A433 WeakPolarHBondContact CG1-O 3.26Å; V315-F434 HydrophobicContact CG1-CB 4.27Å; V315-F434 HydrophobicContact CG1-CD1 4.31Å
316	R	95.3	Very high	94.8	Very high	166 Å²	166	50.1 Å²	50.1	63%	0.626	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	104.2	166.9	-174.7	157	-172.5	156.2	1.6	111.2	G318 G319 P400	R316-G318 WeakPolarHBondContact CG-O 3.33Å; R316-G318 PolarHBondContact NE-O 3.03Å; R316-G318 PolarHBondContact O-N 3.21Å; R316-G319 PolarHBondContact NH2-O 2.7Å; R316-P400 CarbonylContact C-O 3.53Å; R316-P400 WeakPolarHBondContact CA-O 3.27Å; R316-P400 HydrophobicContact CG-CB 4.44Å
317	L	94.6	Very high	95.2	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	24%	0.237	C	C	.	.			trans	-82.5	15.4	-173.8	-57.7	-179.9	0	0	0	114	V315 T322 N323 Y326 P400 F404 A433	V315-L317 HydrophobicContact CB-CD2 4.4Å; V315-L317 HydrophobicContact CG2-CD2 3.87Å; V315-L317 HydrophobicContact CG2-CG 3.95Å; L317-T322 HydrophobicContact CB-CG2 3.88Å; L317-T322 HydrophobicContact CD1-CG2 4.38Å; L317-N323 WeakPolarHBondContact O-CB 3.38Å; L317-N323 PolarHBondContact O-N 3.27Å; L317-Y326 HydrophobicContact CB-CD2 3.85Å; L317-Y326 HydrophobicContact CB-CE2 4.46Å; L317-Y326 HydrophobicContact CB-CG 4.34Å; L317-Y326 HydrophobicContact CD2-CD1 4.27Å; L317-Y326 HydrophobicContact CD2-CD2 4.13Å; L317-Y326 HydrophobicContact CD2-CG 3.98Å; L317-Y326 VanDerWaalsContact O-CD2 3.28Å; L317-Y326 WeakPolarHBondContact O-CD2 3.27Å; L317-P400 PolarHBondContact N-O 3.43Å; L317-F404 HydrophobicContact CD1-CE2 4.41Å; L317-F404 HydrophobicContact CD1-CZ 4.13Å; L317-F404 HydrophobicContact CD2-CE2 4.34Å; L317-A433 HydrophobicContact CD2-CB 3.72Å
318	G	93.6	Very high	95.1	Very high	21 Å²	21	47.7 Å²	47.7	22%	0.216	25%	0.248	C	C	.	.			trans	162.8	175	-177.6	0	0	0	0	0	114.1	R316 P400	R316-G318 WeakPolarHBondContact CG-O 3.33Å; R316-G318 PolarHBondContact NE-O 3.03Å; R316-G318 PolarHBondContact O-N 3.21Å; G318-P400 WeakPolarHBondContact O-CB 3.04Å
319	G	92.1	Very high	94.8	Very high	50 Å²	50	48.1 Å²	48.1	52%	0.515	25%	0.249	S	C	.	.	S	Bend	trans	-75.9	-95.7	177.5	0	0	0	0	0	111.8	R316 P400	R316-G319 PolarHBondContact NH2-O 2.7Å; G319-P400 WeakPolarHBondContact O-CG 3.41Å
320	E	90.3	Very high	94.7	Very high	171 Å²	171	48.3 Å²	48.3	80%	0.799	25%	0.25	S	S	*	.	S	Bend	trans	-85	-28.3	177.4	-62.2	-174.8	165.2	0	0	113.3
321	R	92.9	Very high	94.5	Very high	198 Å²	198	50.2 Å²	50.2	75%	0.747	26%	0.259	S	S	*	.	S	Bend	trans	-130.9	149.9	179.8	-64	-177.4	-69.6	-177	-0.6	108.5	N323	R321-N323 PolarHBondContact O-N 2.89Å
322	T	93	Very high	94.3	Very high	9 Å²	9	54.2 Å²	54.2	6%	0.055	28%	0.276	C	S	.	.			trans	-61.1	130.2	172.5	-56.7	0	0	0	0	109.8	L317 P324 F327 M398 P400	L317-T322 HydrophobicContact CB-CG2 3.88Å; L317-T322 HydrophobicContact CD1-CG2 4.38Å; T322-P324 WeakPolarHBondContact O-CD 3.47Å; T322-F327 HydrophobicContact CG2-CD1 4.19Å; T322-F327 HydrophobicContact CG2-CE1 3.67Å; T322-M398 PolarHBondContact OG1-O 3.32Å; T322-P400 WeakPolarHBondContact OG1-CA 3.44Å
323	N	94.1	Very high	94.1	Very high	60 Å²	60	54.2 Å²	54.2	32%	0.321	28%	0.276	S	S	.	.			trans	-68.2	123.8	175	180	-6.8	0	0	0	109.1	L317 R321 E325 Y326	L317-N323 WeakPolarHBondContact O-CB 3.38Å; L317-N323 PolarHBondContact O-N 3.27Å; R321-N323 PolarHBondContact O-N 2.89Å; N323-E325 PolarHBondContact O-N 3.37Å; N323-E325 VanDerWaalsContact O-N 3.1Å; N323-E325 PolarHBondContact OD1-N 3.25Å; N323-E325 VanDerWaalsContact OD1-N 3.11Å; N323-Y326 HydrophobicContact CB-CD2 3.78Å; N323-Y326 HydrophobicContact CB-CE2 3.95Å; N323-Y326 PolarHBondContact O-N 2.9Å
324	P	94.2	Very high	94.1	Very high	85 Å²	85	54.1 Å²	54.1	55%	0.552	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.7	179.5	-27.4	36.3	0	0	0	115.5	T322 Y326 F327	T322-P324 WeakPolarHBondContact O-CD 3.47Å; P324-Y326 PolarHBondContact O-N 2.9Å; P324-Y326 VanDerWaalsContact O-N 3.16Å; P324-F327 HydrophobicContact CB-CD2 4Å; P324-F327 HydrophobicContact CB-CE2 3.74Å; P324-F327 HydrophobicContact CB-CZ 4.08Å; P324-F327 HydrophobicContact CG-CE2 4.09Å; P324-F327 HydrophobicContact CG-CZ 4.1Å; P324-F327 WeakPolarHBondContact O-CB 3.45Å; P324-F327 WeakPolarHBondContact O-CG 3.09Å; P324-F327 PolarHBondContact O-N 2.64Å
325	E	91.7	Very high	94	Very high	101 Å²	101	53.7 Å²	53.7	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-56.6	-29.3	174.4	-69.1	-173	-178	0	0	112.4	N323 A429	N323-E325 PolarHBondContact O-N 3.37Å; N323-E325 VanDerWaalsContact O-N 3.1Å; N323-E325 PolarHBondContact OD1-N 3.25Å; N323-E325 VanDerWaalsContact OD1-N 3.11Å; E325-A429 HydrophobicContact CB-CB 4.45Å
326	Y	92.9	Very high	93.8	Very high	27 Å²	27	54.4 Å²	54.4	11%	0.106	28%	0.276	C	S	.	.	H	α-helix	trans	-85	-5.6	178.7	-60.4	-61.6	0	0	0	114.3	L317 N323 P324 F329 A330 Y431 A433	L317-Y326 HydrophobicContact CB-CD2 3.85Å; L317-Y326 HydrophobicContact CB-CE2 4.46Å; L317-Y326 HydrophobicContact CB-CG 4.34Å; L317-Y326 HydrophobicContact CD2-CD1 4.27Å; L317-Y326 HydrophobicContact CD2-CD2 4.13Å; L317-Y326 HydrophobicContact CD2-CG 3.98Å; L317-Y326 VanDerWaalsContact O-CD2 3.28Å; L317-Y326 WeakPolarHBondContact O-CD2 3.27Å; N323-Y326 HydrophobicContact CB-CD2 3.78Å; N323-Y326 HydrophobicContact CB-CE2 3.95Å; N323-Y326 PolarHBondContact O-N 2.9Å; P324-Y326 PolarHBondContact O-N 2.9Å; P324-Y326 VanDerWaalsContact O-N 3.16Å; Y326-F329 PolarHBondContact O-N 3.4Å; Y326-A330 WeakPolarHBondContact O-CB 3.35Å; Y326-A330 PolarHBondContact O-N 3.29Å; Y326-Y431 WeakPolarHBondContact CE1-O 3.32Å; Y326-Y431 PolarHBondContact OH-O 3.37Å; Y326-A433 HydrophobicContact CD1-CB 4.14Å; Y326-A433 HydrophobicContact CE1-CB 4.08Å
327	F	94.2	Very high	93.8	Very high	36 Å²	36	52 Å²	52	16%	0.158	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-44.8	-179.4	-63.9	-9	0	0	0	111.3	T322 P324 F329 A330 K331 F395	T322-F327 HydrophobicContact CG2-CD1 4.19Å; T322-F327 HydrophobicContact CG2-CE1 3.67Å; P324-F327 HydrophobicContact CB-CD2 4Å; P324-F327 HydrophobicContact CB-CE2 3.74Å; P324-F327 HydrophobicContact CB-CZ 4.08Å; P324-F327 HydrophobicContact CG-CE2 4.09Å; P324-F327 HydrophobicContact CG-CZ 4.1Å; P324-F327 WeakPolarHBondContact O-CB 3.45Å; P324-F327 WeakPolarHBondContact O-CG 3.09Å; P324-F327 PolarHBondContact O-N 2.64Å; F327-F329 VanDerWaalsContact C-N 3.32Å; F327-F329 PolarHBondContact O-N 3.05Å; F327-A330 PolarHBondContact O-N 3.03Å; F327-K331 WeakPolarHBondContact O-CG 3.44Å; F327-K331 PolarHBondContact O-N 3.48Å; F327-F395 HydrophobicContact CB-CD1 4.42Å; F327-F395 HydrophobicContact CB-CG 4.41Å; F327-F395 HydrophobicContact CD1-CB 3.74Å; F327-F395 HydrophobicContact CD1-CD1 4.19Å; F327-F395 HydrophobicContact CD1-CG 4.27Å; F327-F395 HydrophobicContact CD2-CB 3.87Å; F327-F395 HydrophobicContact CE1-CB 3.81Å; F327-F395 HydrophobicContact CE2-CB 3.95Å; F327-F395 HydrophobicContact CG-CB 3.78Å; F327-F395 HydrophobicContact CG-CD1 4.37Å; F327-F395 HydrophobicContact CG-CG 4.18Å; F327-F395 HydrophobicContact CZ-CB 3.93Å
328	G	92.6	Very high	93.8	Very high	38 Å²	38	52.6 Å²	52.6	39%	0.392	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-44	175.6	0	0	0	0	0	111.5	K331 K332	G328-K331 PolarHBondContact O-N 2.91Å; G328-K332 WeakPolarHBondContact O-CG 3.18Å; G328-K332 PolarHBondContact O-N 2.72Å
329	F	91.6	Very high	94	Very high	14 Å²	14	51.7 Å²	51.7	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-48.9	175.8	173.5	-106.2	0	0	0	112.7	Y326 F327 K331 K332 I333 F404 L424 L425 A433 F434	Y326-F329 PolarHBondContact O-N 3.4Å; F327-F329 VanDerWaalsContact C-N 3.32Å; F327-F329 PolarHBondContact O-N 3.05Å; F329-K331 VanDerWaalsContact C-N 3.34Å; F329-K331 PolarHBondContact O-N 2.8Å; F329-K332 PolarHBondContact O-N 2.81Å; F329-I333 HydrophobicContact CD1-CD1 4.04Å; F329-I333 HydrophobicContact CD2-CD1 4.36Å; F329-I333 HydrophobicContact CE1-CD1 3.34Å; F329-I333 HydrophobicContact CE1-CG1 4.49Å; F329-I333 HydrophobicContact CE2-CD1 3.71Å; F329-I333 HydrophobicContact CE2-CG1 4.27Å; F329-I333 HydrophobicContact CZ-CD1 3.18Å; F329-I333 HydrophobicContact CZ-CG1 4.21Å; F329-I333 PolarHBondContact O-N 2.92Å; F329-F404 HydrophobicContact CD1-CZ 4.29Å; F329-F404 HydrophobicContact CE1-CE2 4Å; F329-F404 AromaticContact CE1-CZ 3.9Å; F329-F404 HydrophobicContact CE1-CZ 3.9Å; F329-L424 HydrophobicContact CE2-CB 4.5Å; F329-L425 HydrophobicContact CD2-CD2 4.36Å; F329-L425 HydrophobicContact CE2-CD2 3.43Å; F329-L425 VanDerWaalsContact CE2-CD2 3.43Å; F329-L425 HydrophobicContact CE2-CG 4.12Å; F329-L425 HydrophobicContact CZ-CD2 3.67Å; F329-A433 HydrophobicContact CD1-CB 3.9Å; F329-A433 HydrophobicContact CE1-CB 3.3Å; F329-A433 HydrophobicContact CZ-CB 3.8Å; F329-F434 HydrophobicContact CE1-CE1 4.19Å; F329-F434 HydrophobicContact CZ-CD1 4.08Å; F329-F434 AromaticContact CZ-CE1 3.55Å; F329-F434 HydrophobicContact CZ-CE1 3.55Å; F329-F434 HydrophobicContact CZ-CZ 4.24Å
330	A	94.7	Very high	94.3	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-39.2	178.1	0	0	0	0	0	112.6	Y326 F327 I333 L334 F395	Y326-A330 WeakPolarHBondContact O-CB 3.35Å; Y326-A330 PolarHBondContact O-N 3.29Å; F327-A330 PolarHBondContact O-N 3.03Å; A330-I333 PolarHBondContact O-N 3.05Å; A330-L334 WeakPolarHBondContact O-CB 3.06Å; A330-L334 WeakPolarHBondContact O-CG 3.44Å; A330-L334 PolarHBondContact O-N 3.48Å; A330-F395 HydrophobicContact CB-CE1 4.01Å
331	K	95.8	Very high	94.7	Very high	41 Å²	41	41.1 Å²	41.1	18%	0.178	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-47.5	173.4	-70.6	179.3	-166.4	-171.7	0	111.3	F327 G328 F329 I333 L334 S335 F356 D358 D359 F395	F327-K331 WeakPolarHBondContact O-CG 3.44Å; F327-K331 PolarHBondContact O-N 3.48Å; G328-K331 PolarHBondContact O-N 2.91Å; F329-K331 VanDerWaalsContact C-N 3.34Å; F329-K331 PolarHBondContact O-N 2.8Å; K331-I333 PolarHBondContact O-N 2.87Å; K331-L334 PolarHBondContact O-N 2.97Å; K331-S335 PolarHBondContact O-N 2.71Å; K331-S335 VanDerWaalsContact O-N 3.13Å; K331-S335 PolarHBondContact O-OG 3.02Å; K331-F356 HydrophobicContact CB-CD1 4.25Å; K331-F356 HydrophobicContact CB-CD2 4.32Å; K331-F356 HydrophobicContact CB-CE1 3.89Å; K331-F356 HydrophobicContact CB-CE2 3.95Å; K331-F356 HydrophobicContact CB-CG 4.47Å; K331-F356 HydrophobicContact CB-CZ 3.73Å; K331-F356 HydrophobicContact CD-CD2 3.96Å; K331-F356 HydrophobicContact CD-CE2 3.9Å; K331-F356 HydrophobicContact CG-CD1 4.21Å; K331-F356 HydrophobicContact CG-CD2 3.75Å; K331-F356 HydrophobicContact CG-CE1 4.28Å; K331-F356 HydrophobicContact CG-CE2 3.82Å; K331-F356 HydrophobicContact CG-CG 3.96Å; K331-F356 HydrophobicContact CG-CZ 4.09Å; K331-F356 WeakPolarHBondContact O-CE1 3.47Å; K331-D358 WeakPolarHBondContact CE-O 3.38Å; K331-D358 PolarHBondContact NZ-O 3.26Å; K331-D359 IonicContact NZ-OD1 2.97Å; K331-D359 PolarHBondContact NZ-OD1 3.24Å; K331-F395 HydrophobicContact CD-CE2 4.31Å; K331-F395 HydrophobicContact CD-CZ 4.36Å; K331-F395 VanDerWaalsContact CE-CE2 3.47Å; K331-F395 HydrophobicContact CG-CE1 4.27Å; K331-F395 HydrophobicContact CG-CE2 3.94Å; K331-F395 HydrophobicContact CG-CZ 3.51Å
332	K	94.5	Very high	95	Very high	88 Å²	88	31.7 Å²	31.7	38%	0.383	17%	0.166	S	C	.	.	H	α-helix	trans	-60.4	-44.7	178.4	-67.3	-176.7	-165.7	177.2	0	111.4	G328 F329 L334 S335 L424	G328-K332 WeakPolarHBondContact O-CG 3.18Å; G328-K332 PolarHBondContact O-N 2.72Å; F329-K332 PolarHBondContact O-N 2.81Å; K332-L334 PolarHBondContact O-N 3.15Å; K332-S335 WeakPolarHBondContact O-CB 3.38Å; K332-S335 PolarHBondContact O-N 2.7Å; K332-S335 VanDerWaalsContact O-N 3.12Å; K332-L424 HydrophobicContact CB-CD1 3.84Å; K332-L424 HydrophobicContact CB-CD2 3.98Å; K332-L424 HydrophobicContact CD-CD2 3.57Å; K332-L424 HydrophobicContact CG-CD2 4.33Å
333	I	95.2	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-48.7	175.2	-77.7	176	0	0	0	112.3	F329 A330 K331 S335 L336 C339 F404 F406 L421 L424 F434	F329-I333 HydrophobicContact CD1-CD1 4.04Å; F329-I333 HydrophobicContact CD2-CD1 4.36Å; F329-I333 HydrophobicContact CE1-CD1 3.34Å; F329-I333 HydrophobicContact CE1-CG1 4.49Å; F329-I333 HydrophobicContact CE2-CD1 3.71Å; F329-I333 HydrophobicContact CE2-CG1 4.27Å; F329-I333 HydrophobicContact CZ-CD1 3.18Å; F329-I333 HydrophobicContact CZ-CG1 4.21Å; F329-I333 PolarHBondContact O-N 2.92Å; A330-I333 PolarHBondContact O-N 3.05Å; K331-I333 PolarHBondContact O-N 2.87Å; I333-S335 PolarHBondContact O-N 2.76Å; I333-S335 VanDerWaalsContact O-N 3.09Å; I333-L336 HydrophobicContact CG1-CD1 4.45Å; I333-L336 WeakPolarHBondContact O-CB 3.35Å; I333-L336 WeakPolarHBondContact O-CG 3.44Å; I333-L336 PolarHBondContact O-N 2.84Å; I333-C339 HydrophobicContact CG2-CB 4.44Å; I333-C339 WeakPolarHBondContact O-CB 3.4Å; I333-F404 HydrophobicContact CB-CE1 4.48Å; I333-F404 HydrophobicContact CD1-CD1 3.94Å; I333-F404 HydrophobicContact CD1-CE1 3.85Å; I333-F404 HydrophobicContact CD1-CG 4.37Å; I333-F404 HydrophobicContact CD1-CZ 4.2Å; I333-F404 HydrophobicContact CG2-CD1 3.82Å; I333-F404 HydrophobicContact CG2-CE1 4.17Å; I333-F406 HydrophobicContact CD1-CZ 4.09Å; I333-F406 HydrophobicContact CG1-CZ 4.28Å; I333-F406 HydrophobicContact CG2-CE1 3.81Å; I333-F406 HydrophobicContact CG2-CZ 3.82Å; I333-L421 HydrophobicContact CD1-CD2 4.47Å; I333-L421 HydrophobicContact CG1-CD2 4.05Å; I333-L424 HydrophobicContact CG1-CD1 4.41Å; I333-F434 HydrophobicContact CD1-CE1 4.11Å
334	L	96.9	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-13.9	179.7	-75.1	168.7	0	0	0	113.3	G45 A330 K331 K332 I342 F356 L361	G45-L334 PolarHBondContact N-O 3.47Å; A330-L334 WeakPolarHBondContact O-CB 3.06Å; A330-L334 WeakPolarHBondContact O-CG 3.44Å; A330-L334 PolarHBondContact O-N 3.48Å; K331-L334 PolarHBondContact O-N 2.97Å; K332-L334 PolarHBondContact O-N 3.15Å; L334-I342 HydrophobicContact CD1-CD1 4.02Å; L334-I342 HydrophobicContact CD2-CD1 4.12Å; L334-I342 HydrophobicContact CD2-CG1 4.1Å; L334-I342 HydrophobicContact CG-CD1 4Å; L334-I342 HydrophobicContact CG-CG1 4.49Å; L334-F356 HydrophobicContact CB-CD1 3.93Å; L334-F356 HydrophobicContact CB-CE1 4.15Å; L334-F356 HydrophobicContact CD1-CD1 4.21Å; L334-L361 HydrophobicContact CD1-CD2 3.72Å
335	S	96.1	Very high	95.4	Very high	9 Å²	9	24.8 Å²	24.8	6%	0.063	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3	176.2	-48.3	0	0	0	0	113.2	K331 K332 I333 F356	K331-S335 PolarHBondContact O-N 2.71Å; K331-S335 VanDerWaalsContact O-N 3.13Å; K331-S335 PolarHBondContact O-OG 3.02Å; K332-S335 WeakPolarHBondContact O-CB 3.38Å; K332-S335 PolarHBondContact O-N 2.7Å; K332-S335 VanDerWaalsContact O-N 3.12Å; I333-S335 PolarHBondContact O-N 2.76Å; I333-S335 VanDerWaalsContact O-N 3.09Å; S335-F356 WeakPolarHBondContact OG-CE1 3.47Å
336	L	94.9	Very high	95.3	Very high	22 Å²	22	25.3 Å²	25.3	12%	0.115	13%	0.126	C	C	.	.	S	Bend	trans	-85.5	139.3	178.8	-58	167.9	0	0	0	111.3	G45 I333 Y338 C339 F406 L421 L424	G45-L336 VanDerWaalsContact CA-O 3.26Å; G45-L336 WeakPolarHBondContact CA-O 3.28Å; I333-L336 HydrophobicContact CG1-CD1 4.45Å; I333-L336 WeakPolarHBondContact O-CB 3.35Å; I333-L336 WeakPolarHBondContact O-CG 3.44Å; I333-L336 PolarHBondContact O-N 2.84Å; L336-Y338 VanDerWaalsContact C-N 3.25Å; L336-Y338 HydrophobicContact CB-CD2 4.19Å; L336-Y338 HydrophobicContact CB-CE1 4.26Å; L336-Y338 HydrophobicContact CB-CE2 3.81Å; L336-Y338 HydrophobicContact CD1-CE2 3.62Å; L336-Y338 HydrophobicContact CG-CE2 4.21Å; L336-Y338 PolarHBondContact O-N 3.02Å; L336-C339 HydrophobicContact CB-CB 4.24Å; L336-C339 WeakPolarHBondContact O-CB 3.3Å; L336-C339 PolarHBondContact O-N 3.02Å; L336-C339 VanDerWaalsContact O-N 3.15Å; L336-F406 HydrophobicContact CD1-CE1 4.32Å; L336-L421 HydrophobicContact CD1-CD2 3.59Å; L336-L421 HydrophobicContact CD1-CG 4.47Å; L336-L424 HydrophobicContact CD1-CD1 3.94Å; L336-L424 HydrophobicContact CD2-CD1 4.47Å
337	E	93.8	Very high	95.2	Very high	115 Å²	115	27.5 Å²	27.5	54%	0.537	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.6	-177.5	63.9	173.8	-179.3	0	0	113.9	R416	E337-R416 IonicContact OE1-NH1 2.91Å
338	Y	94.9	Very high	94.8	Very high	17 Å²	17	30.1 Å²	30.1	7%	0.067	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.2	-177.9	49.3	-104.4	0	0	0	112.6	L336 F406 Y407 I417 E420	L336-Y338 VanDerWaalsContact C-N 3.25Å; L336-Y338 HydrophobicContact CB-CD2 4.19Å; L336-Y338 HydrophobicContact CB-CE1 4.26Å; L336-Y338 HydrophobicContact CB-CE2 3.81Å; L336-Y338 HydrophobicContact CD1-CE2 3.62Å; L336-Y338 HydrophobicContact CG-CE2 4.21Å; L336-Y338 PolarHBondContact O-N 3.02Å; Y338-F406 AromaticContact CD2-CD1 3.74Å; Y338-F406 HydrophobicContact CD2-CD1 3.74Å; Y338-F406 HydrophobicContact CD2-CE1 4.49Å; Y338-F406 AromaticContact CE2-CD1 3.91Å; Y338-F406 HydrophobicContact CE2-CD1 3.91Å; Y338-F406 HydrophobicContact CE2-CE1 4.27Å; Y338-F406 CarbonylContact O-C 3.5Å; Y338-F406 VanDerWaalsContact O-CA 3.29Å; Y338-F406 WeakPolarHBondContact O-CA 3.46Å; Y338-Y407 PolarHBondContact O-N 3.19Å; Y338-I417 HydrophobicContact CD1-CG1 3.77Å; Y338-I417 HydrophobicContact CD2-CB 4.28Å; Y338-I417 HydrophobicContact CD2-CD1 3.94Å; Y338-I417 HydrophobicContact CD2-CG1 3.51Å; Y338-I417 HydrophobicContact CD2-CG2 4.04Å; Y338-I417 HydrophobicContact CE1-CG1 3.96Å; Y338-I417 HydrophobicContact CE2-CB 4.03Å; Y338-I417 HydrophobicContact CE2-CG1 3.71Å; Y338-I417 HydrophobicContact CE2-CG2 3.7Å; Y338-I417 HydrophobicContact CG-CD1 3.91Å; Y338-I417 HydrophobicContact CG-CG1 3.53Å; Y338-E420 WeakPolarHBondContact CE1-OE2 3.42Å; Y338-E420 WeakPolarHBondContact OH-CB 3.45Å; Y338-E420 PolarHBondContact OH-OE2 3.41Å
339	C	97.9	Very high	94.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.5	171.9	-176.4	0	0	0	0	110.1	I333 L336 G341 F406	I333-C339 HydrophobicContact CG2-CB 4.44Å; I333-C339 WeakPolarHBondContact O-CB 3.4Å; L336-C339 HydrophobicContact CB-CB 4.24Å; L336-C339 WeakPolarHBondContact O-CB 3.3Å; L336-C339 PolarHBondContact O-N 3.02Å; L336-C339 VanDerWaalsContact O-N 3.15Å; C339-G341 VanDerWaalsContact C-N 3.33Å; C339-G341 PolarHBondContact SG-N 3.3Å; C339-F406 HydrophobicContact CB-CD1 4.37Å; C339-F406 HydrophobicContact CB-CE1 4.41Å
340	I	98.7	Very high	95	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	21	174.1	59.6	170.7	0	0	0	111.7	M114 Q117 A118 L121 I310 Y352 G405	M114-I340 HydrophobicContact CG-CD1 3.82Å; M114-I340 HydrophobicContact CG-CG1 4.14Å; Q117-I340 HydrophobicContact CG-CB 4.11Å; Q117-I340 HydrophobicContact CG-CG2 4.23Å; A118-I340 HydrophobicContact CB-CD1 3.88Å; A118-I340 HydrophobicContact CB-CG2 4.14Å; L121-I340 HydrophobicContact CD1-CG2 3.56Å; I310-I340 HydrophobicContact CG2-CD1 3.74Å; I340-Y352 WeakPolarHBondContact O-CE2 3.23Å; I340-Y352 PolarHBondContact O-OH 3.06Å; I340-G405 WeakPolarHBondContact CG1-O 3.47Å; I340-G405 PolarHBondContact N-O 3.19Å
341	G	98.6	Very high	95.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.8	-166.2	174.9	0	0	0	0	0	114.7	M114 C339 F353 G405	M114-G341 WeakPolarHBondContact CE-O 3.39Å; C339-G341 VanDerWaalsContact C-N 3.33Å; C339-G341 PolarHBondContact SG-N 3.3Å; G341-F353 WeakPolarHBondContact CA-O 3.28Å; G341-G405 PolarHBondContact O-N 2.82Å
342	I	98.8	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.4	-174.8	-47	170.1	0	0	0	108.8	L334 F353 M398 C402 T403 F404	L334-I342 HydrophobicContact CD1-CD1 4.02Å; L334-I342 HydrophobicContact CD2-CD1 4.12Å; L334-I342 HydrophobicContact CD2-CG1 4.1Å; L334-I342 HydrophobicContact CG-CD1 4Å; L334-I342 HydrophobicContact CG-CG1 4.49Å; I342-F353 HydrophobicContact CB-CB 4.15Å; I342-F353 HydrophobicContact CB-CD2 4.19Å; I342-F353 HydrophobicContact CG2-CD2 4.34Å; I342-F353 PolarHBondContact N-O 3.22Å; I342-F353 WeakPolarHBondContact O-CD2 3.24Å; I342-F353 PolarHBondContact O-N 2.83Å; I342-M398 HydrophobicContact CG2-CE 3.78Å; I342-C402 HydrophobicContact CG2-CB 3.75Å; I342-T403 WeakPolarHBondContact CA-O 3.43Å; I342-T403 WeakPolarHBondContact CG2-O 3.35Å; I342-F404 HydrophobicContact CD1-CD1 3.78Å; I342-F404 HydrophobicContact CD1-CE1 3.39Å; I342-F404 HydrophobicContact CD1-CZ 4.4Å; I342-F404 HydrophobicContact CG1-CD1 3.58Å; I342-F404 HydrophobicContact CG1-CE1 3.77Å; I342-F404 HydrophobicContact CG2-CD1 4.39Å
343	I	98.8	Very high	95.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140	168.2	61.3	172.8	0	0	0	109.1	M107 A110 M114 P232 V235 Y352 C402 T403	M107-I343 HydrophobicContact SD-CB 4.38Å; M107-I343 HydrophobicContact SD-CD1 4.39Å; A110-I343 HydrophobicContact CB-CB 4.19Å; A110-I343 HydrophobicContact CB-CG2 3.84Å; A110-I343 VanDerWaalsContact O-CG2 3.25Å; A110-I343 WeakPolarHBondContact O-CG2 3.49Å; M114-I343 HydrophobicContact CB-CG2 3.91Å; M114-I343 HydrophobicContact CE-CB 4.2Å; M114-I343 HydrophobicContact CE-CG1 3.93Å; M114-I343 HydrophobicContact CE-CG2 3.78Å; M114-I343 HydrophobicContact SD-CD1 4.34Å; M114-I343 HydrophobicContact SD-CG1 4.24Å; M114-I343 HydrophobicContact SD-CG2 4.25Å; P232-I343 HydrophobicContact CB-CG1 4.42Å; V235-I343 HydrophobicContact CG1-CD1 4.33Å; I343-Y352 HydrophobicContact CG2-CD2 3.87Å; I343-C402 CarbonylContact O-C 3.46Å; I343-C402 WeakPolarHBondContact O-CA 3.29Å; I343-C402 WeakPolarHBondContact O-CB 3.1Å; I343-T403 PolarHBondContact N-O 2.69Å; I343-T403 PolarHBondContact O-N 3.34Å
344	G	97.4	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-179.7	-178.7	0	0	0	0	0	112	A350 C351	G344-A350 CarbonylContact O-C 3.55Å; G344-A350 VanDerWaalsContact O-CA 3.3Å; G344-A350 WeakPolarHBondContact O-CA 3.38Å; G344-C351 PolarHBondContact N-O 3.1Å; G344-C351 PolarHBondContact O-N 3.24Å
345	G	93.2	Very high	95.7	Very high	7 Å²	7	27.2 Å²	27.2	7%	0.072	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.8	168.5	178	0	0	0	0	0	113.3
346	K	90.5	Very high	95.8	Very high	112 Å²	112	27.5 Å²	27.5	49%	0.487	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	165.5	-177.5	-70.2	-179.2	-176.8	-172.7	0	111.3	K348 H349 D399	K346-K348 PolarHBondContact O-N 2.99Å; K346-K348 VanDerWaalsContact O-N 3.15Å; K346-H349 HydrophobicContact CB-CB 4.38Å; K346-H349 CarbonylContact O-C 3.56Å; K346-H349 PolarHBondContact O-N 3.31Å; K346-D399 WeakPolarHBondContact CE-OD2 3.4Å; K346-D399 HydrophobicContact CG-CB 4.12Å; K346-D399 WeakPolarHBondContact CG-OD2 3.41Å
347	P	89.3	Confident	95.8	Very high	74 Å²	74	26.5 Å²	26.5	48%	0.481	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.9	123.5	165	-30.9	36.8	0	0	0	112.6	W229 H349	W229-P347 HydrophobicContact CD2-CB 4.13Å; W229-P347 HydrophobicContact CD2-CG 3.9Å; W229-P347 HydrophobicContact CE3-CG 4.15Å; W229-P347 HydrophobicContact CG-CB 4.04Å; W229-P347 HydrophobicContact CG-CG 4.33Å; W229-P347 HydrophobicContact CH2-CG 4.42Å; W229-P347 HydrophobicContact CZ2-CG 4.21Å; W229-P347 HydrophobicContact CZ3-CG 4.41Å; P347-H349 PolarHBondContact O-CD2 3.17Å; P347-H349 PolarHBondContact O-N 2.92Å
348	K	86.4	Confident	95.9	Very high	91 Å²	91	24.6 Å²	24.6	40%	0.396	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	15	-179.4	-47.2	-175.1	175.8	-174.5	0	116	G103 K346 H367	G103-K348 WeakPolarHBondContact O-CD 3.24Å; G103-K348 WeakPolarHBondContact O-CE 3.1Å; G103-K348 WeakPolarHBondContact O-CG 3.41Å; K346-K348 PolarHBondContact O-N 2.99Å; K346-K348 VanDerWaalsContact O-N 3.15Å; K348-H367 PolarHBondContact O-CD2 3.46Å; K348-H367 PolarHBondContact O-NE2 3.09Å
349	H	92.3	Very high	95.8	Very high	107 Å²	107	28.8 Å²	28.8	50%	0.495	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	35.4	-179.5	-67.3	-70	0	0	0	111.5	K346 P347 H367	K346-H349 HydrophobicContact CB-CB 4.38Å; K346-H349 CarbonylContact O-C 3.56Å; K346-H349 PolarHBondContact O-N 3.31Å; P347-H349 PolarHBondContact O-CD2 3.17Å; P347-H349 PolarHBondContact O-N 2.92Å; H349-H367 WeakPolarHBondContact CA-NE2 3.45Å
350	A	96.4	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.3	179.9	0	0	0	0	0	111.7	C106 M107 G344 P366 H367	C106-A350 HydrophobicContact CB-CB 3.86Å; M107-A350 HydrophobicContact CB-CB 3.98Å; M107-A350 HydrophobicContact CE-CB 3.47Å; M107-A350 VanDerWaalsContact CE-CB 3.47Å; M107-A350 HydrophobicContact SD-CB 3.97Å; G344-A350 CarbonylContact O-C 3.55Å; G344-A350 VanDerWaalsContact O-CA 3.3Å; G344-A350 WeakPolarHBondContact O-CA 3.38Å; A350-P366 VanDerWaalsContact O-CD 3.29Å; A350-P366 WeakPolarHBondContact O-CD 2.93Å; A350-P366 VanDerWaalsContact O-CG 3.23Å; A350-P366 WeakPolarHBondContact O-CG 2.96Å; A350-H367 PolarHBondContact O-CE1 3.43Å
351	C	97.4	Very high	95.8	Very high	11 Å²	11	30.1 Å²	30.1	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	157.3	-179.3	-61.5	0	0	0	0	110.6	G344 F353 Y363	G344-C351 PolarHBondContact N-O 3.1Å; G344-C351 PolarHBondContact O-N 3.24Å; C351-F353 HydrophobicContact CB-CE1 3.98Å; C351-F353 HydrophobicContact CB-CE2 4.26Å; C351-F353 HydrophobicContact CB-CZ 3.82Å; C351-Y363 HydrophobicContact CB-CD2 3.71Å; C351-Y363 HydrophobicContact CB-CE2 4.35Å; C351-Y363 HydrophobicContact CB-CG 4.19Å
352	Y	98.8	Very high	95.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106.6	167.9	173.8	-135.7	0	0	0	109.3	M113 M114 Q117 I340 I343 V354 Y363 M364	M113-Y352 HydrophobicContact CB-CD1 3.48Å; M113-Y352 VanDerWaalsContact CB-CD1 3.48Å; M113-Y352 HydrophobicContact CB-CE1 3.93Å; M113-Y352 HydrophobicContact CB-CG 3.99Å; M113-Y352 HydrophobicContact CG-CD1 4.39Å; M113-Y352 HydrophobicContact SD-CD1 4.17Å; M114-Y352 HydrophobicContact CB-CD2 4.39Å; M114-Y352 HydrophobicContact CB-CE2 4.04Å; Q117-Y352 VanDerWaalsContact CB-OH 3.29Å; Q117-Y352 WeakPolarHBondContact CB-OH 3.15Å; Q117-Y352 WeakPolarHBondContact CG-OH 3.45Å; I340-Y352 WeakPolarHBondContact O-CE2 3.23Å; I340-Y352 PolarHBondContact O-OH 3.06Å; I343-Y352 HydrophobicContact CG2-CD2 3.87Å; Y352-V354 HydrophobicContact CD1-CG1 3.5Å; Y352-V354 HydrophobicContact CD2-CG1 4.35Å; Y352-V354 HydrophobicContact CE1-CG1 3.21Å; Y352-V354 HydrophobicContact CE2-CG1 4.1Å; Y352-V354 HydrophobicContact CG-CG1 4.07Å; Y352-Y363 CarbonylContact O-C 3.59Å; Y352-Y363 WeakPolarHBondContact O-CA 3.47Å; Y352-Y363 VanDerWaalsContact O-CB 3.28Å; Y352-Y363 WeakPolarHBondContact O-CB 3.43Å; Y352-M364 HydrophobicContact CD1-CB 4.23Å; Y352-M364 HydrophobicContact CD1-CG 4.29Å; Y352-M364 HydrophobicContact CD1-SD 3.93Å; Y352-M364 HydrophobicContact CE1-SD 4.14Å; Y352-M364 PolarHBondContact N-O 2.59Å; Y352-M364 PolarHBondContact O-N 3.1Å
353	F	98.7	Very high	95.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.8	-179.8	-50.9	-78.8	0	0	0	109.9	G341 I342 C351 L361 I362 Y363 M393 M398	G341-F353 WeakPolarHBondContact CA-O 3.28Å; I342-F353 HydrophobicContact CB-CB 4.15Å; I342-F353 HydrophobicContact CB-CD2 4.19Å; I342-F353 HydrophobicContact CG2-CD2 4.34Å; I342-F353 PolarHBondContact N-O 3.22Å; I342-F353 WeakPolarHBondContact O-CD2 3.24Å; I342-F353 PolarHBondContact O-N 2.83Å; C351-F353 HydrophobicContact CB-CE1 3.98Å; C351-F353 HydrophobicContact CB-CE2 4.26Å; C351-F353 HydrophobicContact CB-CZ 3.82Å; F353-L361 HydrophobicContact CB-CD2 4.34Å; F353-L361 HydrophobicContact CD1-CB 3.83Å; F353-L361 HydrophobicContact CD1-CD1 3.79Å; F353-L361 HydrophobicContact CD1-CD2 4.43Å; F353-L361 HydrophobicContact CD1-CG 4.24Å; F353-L361 HydrophobicContact CE1-CB 4.36Å; F353-L361 HydrophobicContact CE1-CD1 3.94Å; F353-L361 HydrophobicContact CG-CD1 4.32Å; F353-I362 WeakPolarHBondContact CA-O 3.45Å; F353-Y363 HydrophobicContact CD1-CG 4.42Å; F353-Y363 HydrophobicContact CE1-CG 4.46Å; F353-M393 HydrophobicContact CE1-CE 3.83Å; F353-M393 HydrophobicContact CE1-CG 4.27Å; F353-M393 HydrophobicContact CE1-SD 3.7Å; F353-M393 HydrophobicContact CZ-CE 4.04Å; F353-M393 HydrophobicContact CZ-SD 4.25Å; F353-M398 HydrophobicContact CD2-CE 4.2Å; F353-M398 HydrophobicContact CE2-CE 4.1Å; F353-M398 HydrophobicContact CE2-CG 4.06Å; F353-M398 HydrophobicContact CE2-SD 4.39Å; F353-M398 HydrophobicContact CZ-CG 3.97Å
354	V	98.6	Very high	95.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-7.4	-171.2	-66.5	0	0	0	0	112.7	L43 L44 F78 Y352 I362 M364	L43-V354 CarbonylContact C-O 3.54Å; L43-V354 WeakPolarHBondContact CA-O 3.17Å; L43-V354 HydrophobicContact CD1-CB 3.75Å; L43-V354 HydrophobicContact CD1-CG2 3.48Å; L43-V354 VanDerWaalsContact CD1-CG2 3.48Å; L44-V354 HydrophobicContact CD1-CB 4.26Å; L44-V354 HydrophobicContact CD1-CG1 4.33Å; L44-V354 HydrophobicContact CD2-CB 4.11Å; L44-V354 HydrophobicContact CD2-CG1 4.36Å; L44-V354 HydrophobicContact CG-CB 4.01Å; L44-V354 HydrophobicContact CG-CG1 4.47Å; L44-V354 WeakPolarHBondContact CG-O 3.23Å; L44-V354 PolarHBondContact N-O 3.22Å; F78-V354 HydrophobicContact CD2-CG2 4.29Å; F78-V354 HydrophobicContact CE2-CG2 3.85Å; Y352-V354 HydrophobicContact CD1-CG1 3.5Å; Y352-V354 HydrophobicContact CD2-CG1 4.35Å; Y352-V354 HydrophobicContact CE1-CG1 3.21Å; Y352-V354 HydrophobicContact CE2-CG1 4.1Å; Y352-V354 HydrophobicContact CG-CG1 4.07Å; V354-I362 HydrophobicContact CG2-CG2 4.1Å; V354-I362 PolarHBondContact N-O 2.88Å; V354-M364 HydrophobicContact CG1-CG 4.17Å; V354-M364 HydrophobicContact CG1-SD 4.24Å; V354-M364 HydrophobicContact CG2-CG 4.38Å
355	G	98.3	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-169.4	-173.6	0	0	0	0	0	113.2	F42 I362	F42-G355 CarbonylContact O-C 3.58Å; F42-G355 WeakPolarHBondContact O-CA 3.18Å; G355-I362 PolarHBondContact N-O 3.35Å; G355-I362 PolarHBondContact O-N 3.49Å
356	F	98.2	Very high	95.8	Very high	16 Å²	16	32.2 Å²	32.2	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	161.7	176.3	67.9	-82.8	0	0	0	112.1	F42 K331 L334 S335 S360 F395	F42-F356 HydrophobicContact CB-CD1 3.78Å; F42-F356 HydrophobicContact CB-CE1 3.42Å; F42-F356 VanDerWaalsContact CB-CE1 3.42Å; F42-F356 HydrophobicContact CB-CE2 4.47Å; F42-F356 HydrophobicContact CB-CG 4.43Å; F42-F356 HydrophobicContact CB-CZ 3.81Å; F42-F356 HydrophobicContact CD1-CE1 4.35Å; F42-F356 HydrophobicContact CD1-CZ 4.25Å; F42-F356 HydrophobicContact CD2-CD2 4.36Å; F42-F356 AromaticContact CD2-CE1 3.88Å; F42-F356 HydrophobicContact CD2-CE1 3.88Å; F42-F356 AromaticContact CD2-CE2 3.58Å; F42-F356 HydrophobicContact CD2-CE2 3.58Å; F42-F356 AromaticContact CD2-CZ 3.28Å; F42-F356 HydrophobicContact CD2-CZ 3.28Å; F42-F356 HydrophobicContact CE2-CE2 4.1Å; F42-F356 AromaticContact CE2-CZ 3.85Å; F42-F356 HydrophobicContact CE2-CZ 3.85Å; F42-F356 HydrophobicContact CG-CD1 4.41Å; F42-F356 AromaticContact CG-CE1 3.63Å; F42-F356 HydrophobicContact CG-CE1 3.63Å; F42-F356 HydrophobicContact CG-CE2 4.22Å; F42-F356 AromaticContact CG-CZ 3.51Å; F42-F356 HydrophobicContact CG-CZ 3.51Å; F42-F356 PolarHBondContact N-O 3.39Å; F42-F356 PolarHBondContact O-N 3.41Å; K331-F356 HydrophobicContact CB-CD1 4.25Å; K331-F356 HydrophobicContact CB-CD2 4.32Å; K331-F356 HydrophobicContact CB-CE1 3.89Å; K331-F356 HydrophobicContact CB-CE2 3.95Å; K331-F356 HydrophobicContact CB-CG 4.47Å; K331-F356 HydrophobicContact CB-CZ 3.73Å; K331-F356 HydrophobicContact CD-CD2 3.96Å; K331-F356 HydrophobicContact CD-CE2 3.9Å; K331-F356 HydrophobicContact CG-CD1 4.21Å; K331-F356 HydrophobicContact CG-CD2 3.75Å; K331-F356 HydrophobicContact CG-CE1 4.28Å; K331-F356 HydrophobicContact CG-CE2 3.82Å; K331-F356 HydrophobicContact CG-CG 3.96Å; K331-F356 HydrophobicContact CG-CZ 4.09Å; K331-F356 WeakPolarHBondContact O-CE1 3.47Å; L334-F356 HydrophobicContact CB-CD1 3.93Å; L334-F356 HydrophobicContact CB-CE1 4.15Å; L334-F356 HydrophobicContact CD1-CD1 4.21Å; S335-F356 WeakPolarHBondContact OG-CE1 3.47Å; F356-S360 CarbonylContact C-O 3.55Å; F356-S360 WeakPolarHBondContact CA-O 3.35Å; F356-S360 VanDerWaalsContact CB-O 3.31Å; F356-S360 WeakPolarHBondContact CB-O 3.49Å; F356-F395 HydrophobicContact CB-CE2 3.98Å; F356-F395 HydrophobicContact CB-CZ 3.84Å; F356-F395 HydrophobicContact CG-CZ 4.33Å
357	Q	95.8	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	130.7	163.3	-178.9	-177.6	52.1	0	0	107.3	F35 S36 S39 V41 D359 S360	F35-Q357 VanDerWaalsContact CA-OE1 3.28Å; S36-Q357 PolarHBondContact O-NE2 3.22Å; S39-Q357 PolarHBondContact O-NE2 3.24Å; S39-Q357 VanDerWaalsContact O-NE2 3.1Å; V41-Q357 HydrophobicContact CG2-CB 4.1Å; V41-Q357 HydrophobicContact CG2-CG 3.95Å; Q357-D359 PolarHBondContact O-N 3.49Å; Q357-S360 PolarHBondContact N-O 2.91Å; Q357-S360 PolarHBondContact O-N 2.97Å
358	D	94.4	Very high	96	Very high	76 Å²	76	24.8 Å²	24.8	41%	0.406	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-123	-174.7	-55.2	-54	0	0	0	110.7	S39 K331	S39-D358 WeakPolarHBondContact CB-OD1 3.43Å; S39-D358 PolarHBondContact OG-OD1 2.97Å; S39-D358 PolarHBondContact OG-OD2 2.98Å; K331-D358 WeakPolarHBondContact CE-O 3.38Å; K331-D358 PolarHBondContact NZ-O 3.26Å
359	D	94.4	Very high	96.3	Very high	105 Å²	105	21.2 Å²	21.2	56%	0.561	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	25.7	177.2	-65.1	-36.9	0	0	0	113.5	K331 Q357 P394 F395	K331-D359 IonicContact NZ-OD1 2.97Å; K331-D359 PolarHBondContact NZ-OD1 3.24Å; Q357-D359 PolarHBondContact O-N 3.49Å; D359-P394 WeakPolarHBondContact O-CA 3.47Å; D359-F395 VanDerWaalsContact C-CD2 3.44Å; D359-F395 WeakPolarHBondContact O-CD2 3.48Å; D359-F395 PolarHBondContact O-N 3.19Å; D359-F395 VanDerWaalsContact O-N 3.09Å
360	S	96.9	Very high	96.3	Very high	28 Å²	28	17.3 Å²	17.3	20%	0.196	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.2	175.6	-65	0	0	0	0	112.2	F356 Q357 M393	F356-S360 CarbonylContact C-O 3.55Å; F356-S360 WeakPolarHBondContact CA-O 3.35Å; F356-S360 VanDerWaalsContact CB-O 3.31Å; F356-S360 WeakPolarHBondContact CB-O 3.49Å; Q357-S360 PolarHBondContact N-O 2.91Å; Q357-S360 PolarHBondContact O-N 2.97Å; S360-M393 CarbonylContact C-O 3.45Å; S360-M393 VanDerWaalsContact CA-O 3.25Å; S360-M393 WeakPolarHBondContact CA-O 3.19Å
361	L	97.9	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	141.2	166.6	-73	162.7	0	0	0	110.2	L334 F353 K392 M393 F395 M398	L334-L361 HydrophobicContact CD1-CD2 3.72Å; F353-L361 HydrophobicContact CB-CD2 4.34Å; F353-L361 HydrophobicContact CD1-CB 3.83Å; F353-L361 HydrophobicContact CD1-CD1 3.79Å; F353-L361 HydrophobicContact CD1-CD2 4.43Å; F353-L361 HydrophobicContact CD1-CG 4.24Å; F353-L361 HydrophobicContact CE1-CB 4.36Å; F353-L361 HydrophobicContact CE1-CD1 3.94Å; F353-L361 HydrophobicContact CG-CD1 4.32Å; L361-K392 CarbonylContact O-C 3.55Å; L361-K392 WeakPolarHBondContact O-CA 3.29Å; L361-M393 HydrophobicContact CB-CG 4.35Å; L361-M393 PolarHBondContact N-O 3.23Å; L361-M393 PolarHBondContact O-N 3.27Å; L361-F395 HydrophobicContact CD1-CD1 3.85Å; L361-F395 HydrophobicContact CD1-CE1 4.1Å; L361-F395 HydrophobicContact CD1-CG 4.33Å; L361-F395 HydrophobicContact CD2-CD1 3.91Å; L361-F395 HydrophobicContact CD2-CE1 3.27Å; L361-F395 HydrophobicContact CD2-CE2 4.3Å; L361-F395 HydrophobicContact CD2-CZ 3.48Å; L361-F395 VanDerWaalsContact CD2-CZ 3.48Å; L361-F395 HydrophobicContact CG-CD1 3.67Å; L361-F395 HydrophobicContact CG-CD2 4.28Å; L361-F395 HydrophobicContact CG-CE1 3.54Å; L361-F395 HydrophobicContact CG-CE2 4.12Å; L361-F395 HydrophobicContact CG-CG 4.04Å; L361-F395 HydrophobicContact CG-CZ 3.75Å; L361-M398 HydrophobicContact CD1-CB 3.83Å; L361-M398 HydrophobicContact CD1-CG 3.96Å; L361-M398 HydrophobicContact CD1-SD 3.51Å; L361-M398 VanDerWaalsContact CD1-SD 3.51Å
362	I	98.3	Very high	96	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.3	168.9	-61.8	163.5	0	0	0	107.7	F35 V41 F74 F78 F353 V354 G355 P390 K391 K392	F35-I362 HydrophobicContact CE1-CD1 3.82Å; F35-I362 HydrophobicContact CE1-CG1 4.17Å; V41-I362 HydrophobicContact CG1-CD1 3.48Å; V41-I362 VanDerWaalsContact CG1-CD1 3.48Å; F74-I362 HydrophobicContact CE2-CD1 4.41Å; F74-I362 HydrophobicContact CZ-CD1 4.35Å; F78-I362 HydrophobicContact CD2-CG2 4.29Å; F78-I362 HydrophobicContact CE2-CG2 3.94Å; F353-I362 WeakPolarHBondContact CA-O 3.45Å; V354-I362 HydrophobicContact CG2-CG2 4.1Å; V354-I362 PolarHBondContact N-O 2.88Å; G355-I362 PolarHBondContact N-O 3.35Å; G355-I362 PolarHBondContact O-N 3.49Å; I362-P390 HydrophobicContact CG2-CB 4.11Å; I362-K391 VanDerWaalsContact CA-O 3.3Å; I362-K391 WeakPolarHBondContact CA-O 3.31Å; I362-K392 HydrophobicContact CG1-CD 4.13Å; I362-K392 HydrophobicContact CG1-CG 3.84Å
363	Y	98.2	Very high	95.9	Very high	33 Å²	33	21.4 Å²	21.4	13%	0.129	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.7	-174.9	69	-83.7	0	0	0	113.8	C351 Y352 F353 D365 K391 M393	C351-Y363 HydrophobicContact CB-CD2 3.71Å; C351-Y363 HydrophobicContact CB-CE2 4.35Å; C351-Y363 HydrophobicContact CB-CG 4.19Å; Y352-Y363 CarbonylContact O-C 3.59Å; Y352-Y363 WeakPolarHBondContact O-CA 3.47Å; Y352-Y363 VanDerWaalsContact O-CB 3.28Å; Y352-Y363 WeakPolarHBondContact O-CB 3.43Å; F353-Y363 HydrophobicContact CD1-CG 4.42Å; F353-Y363 HydrophobicContact CE1-CG 4.46Å; Y363-D365 HydrophobicContact CD2-CB 4.11Å; Y363-D365 HydrophobicContact CE2-CB 3.79Å; Y363-K391 HydrophobicContact CD1-CB 3.97Å; Y363-K391 WeakPolarHBondContact CD1-O 3.28Å; Y363-K391 HydrophobicContact CD2-CB 4.22Å; Y363-K391 HydrophobicContact CE1-CB 3.49Å; Y363-K391 VanDerWaalsContact CE1-CB 3.49Å; Y363-K391 HydrophobicContact CE2-CB 3.78Å; Y363-K391 HydrophobicContact CE2-CD 3.94Å; Y363-K391 HydrophobicContact CE2-CG 4.41Å; Y363-K391 HydrophobicContact CG-CB 4.31Å; Y363-K391 PolarHBondContact N-O 3.27Å; Y363-K391 PolarHBondContact O-N 2.95Å; Y363-M393 HydrophobicContact CD1-CG 3.91Å; Y363-M393 HydrophobicContact CD1-SD 4.35Å; Y363-M393 HydrophobicContact CE1-CB 4.01Å; Y363-M393 HydrophobicContact CE1-CG 3.75Å; Y363-M393 HydrophobicContact CE1-SD 4.13Å
364	M	97.3	Very high	95.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.8	167.5	-57.1	-176.6	85.3	0	0	108.9	F78 R81 W83 M113 Y352 V354 C387	F78-M364 HydrophobicContact CE2-CG 4.01Å; F78-M364 HydrophobicContact CZ-CG 3.8Å; R81-M364 HydrophobicContact CB-CE 3.84Å; R81-M364 HydrophobicContact CB-SD 3.76Å; R81-M364 WeakPolarHBondContact O-CE 3.45Å; W83-M364 HydrophobicContact CB-CE 3.56Å; W83-M364 HydrophobicContact CG-CE 4.02Å; M113-M364 HydrophobicContact CE-CB 4.38Å; M113-M364 HydrophobicContact SD-CB 3.84Å; M113-M364 HydrophobicContact SD-SD 4.37Å; Y352-M364 HydrophobicContact CD1-CB 4.23Å; Y352-M364 HydrophobicContact CD1-CG 4.29Å; Y352-M364 HydrophobicContact CD1-SD 3.93Å; Y352-M364 HydrophobicContact CE1-SD 4.14Å; Y352-M364 PolarHBondContact N-O 2.59Å; Y352-M364 PolarHBondContact O-N 3.1Å; V354-M364 HydrophobicContact CG1-CG 4.17Å; V354-M364 HydrophobicContact CG1-SD 4.24Å; V354-M364 HydrophobicContact CG2-CG 4.38Å; M364-C387 HydrophobicContact CE-CB 3.87Å
365	D	95.9	Very high	95.4	Very high	18 Å²	18	26.5 Å²	26.5	10%	0.096	14%	0.141	C	C	.	.			trans	-104.7	115.1	-169.6	-175.3	-16.3	0	0	0	110.6	W83 Y363 H367 Y368 K391	W83-D365 WeakPolarHBondContact CZ2-O 3.39Å; W83-D365 PolarHBondContact NE1-O 2.9Å; Y363-D365 HydrophobicContact CD2-CB 4.11Å; Y363-D365 HydrophobicContact CE2-CB 3.79Å; D365-H367 VanDerWaalsContact C-N 3.28Å; D365-H367 PolarHBondContact O-N 2.83Å; D365-H367 WeakPolarHBondContact OD1-CB 3.32Å; D365-H367 IonicContact OD1-CE1 2.59Å; D365-H367 IonicContact OD1-CG 3.86Å; D365-H367 PolarHBondContact OD1-N 3Å; D365-H367 IonicContact OD1-ND1 2.83Å; D365-H367 PolarHBondContact OD1-ND1 3.18Å; D365-Y368 HydrophobicContact CB-CE2 4.05Å; D365-Y368 WeakPolarHBondContact O-CD2 3.33Å; D365-K391 HydrophobicContact CB-CD 3.81Å; D365-K391 WeakPolarHBondContact OD2-CE 3.45Å; D365-K391 IonicContact OD2-NZ 3.3Å; D365-K391 PolarHBondContact OD2-NZ 2.96Å
366	P	96.9	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.			trans	-78.3	-6.4	-178.5	32.1	-35.6	0	0	0	113.9	T85 Y86 C106 R109 M113 A350 Y368	T85-P366 CarbonylContact C-O 3.32Å; T85-P366 VanDerWaalsContact CA-O 3.3Å; T85-P366 WeakPolarHBondContact CA-O 3.35Å; T85-P366 WeakPolarHBondContact CB-O 3.37Å; Y86-P366 PolarHBondContact N-O 2.94Å; C106-P366 HydrophobicContact CB-CG 4.07Å; R109-P366 HydrophobicContact CB-CB 3.59Å; R109-P366 HydrophobicContact CB-CG 4.49Å; R109-P366 HydrophobicContact CG-CB 4.3Å; M113-P366 HydrophobicContact CE-CB 4.1Å; M113-P366 HydrophobicContact CE-CG 4.45Å; A350-P366 VanDerWaalsContact O-CD 3.29Å; A350-P366 WeakPolarHBondContact O-CD 2.93Å; A350-P366 VanDerWaalsContact O-CG 3.23Å; A350-P366 WeakPolarHBondContact O-CG 2.96Å; P366-Y368 PolarHBondContact O-N 3.39Å
367	H	95.3	Very high	94.6	Very high	16 Å²	16	33.2 Å²	33.2	7%	0.074	19%	0.187	C	C	.	.			trans	-77.9	21.8	-168.8	-54.7	91.6	0	0	0	114.9	Y25 Y86 C106 K348 H349 A350 D365	Y25-H367 WeakPolarHBondContact CB-O 3.38Å; Y25-H367 HydrophobicContact CD1-CB 4.22Å; Y25-H367 HydrophobicContact CG-CB 4.34Å; Y86-H367 HydrophobicContact CD2-CB 4.46Å; Y86-H367 HydrophobicContact CE2-CB 4.05Å; Y86-H367 AromaticContact CE2-CD2 3.76Å; Y86-H367 AromaticContact CZ-CD2 3.75Å; Y86-H367 PolarHBondContact OH-CD2 3.37Å; C106-H367 WeakPolarHBondContact CB-NE2 3.09Å; K348-H367 PolarHBondContact O-CD2 3.46Å; K348-H367 PolarHBondContact O-NE2 3.09Å; H349-H367 WeakPolarHBondContact CA-NE2 3.45Å; A350-H367 PolarHBondContact O-CE1 3.43Å; D365-H367 VanDerWaalsContact C-N 3.28Å; D365-H367 PolarHBondContact O-N 2.83Å; D365-H367 WeakPolarHBondContact OD1-CB 3.32Å; D365-H367 IonicContact OD1-CE1 2.59Å; D365-H367 IonicContact OD1-CG 3.86Å; D365-H367 PolarHBondContact OD1-N 3Å; D365-H367 IonicContact OD1-ND1 2.83Å; D365-H367 PolarHBondContact OD1-ND1 3.18Å
368	Y	90.4	Very high	94.1	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.055	22%	0.223	C	C	.	.			trans	-95.8	111.4	175.1	-72	-106.3	0	0	0	108.7	L29 W83 T85 Y86 L139 D365 P366 Q370 K391	L29-Y368 HydrophobicContact CD1-CE1 3.78Å; L29-Y368 HydrophobicContact CD2-CE1 4.47Å; W83-Y368 AromaticContact CH2-CD1 3.88Å; W83-Y368 HydrophobicContact CH2-CD1 3.88Å; W83-Y368 AromaticContact CH2-CD2 3.89Å; W83-Y368 HydrophobicContact CH2-CD2 3.89Å; W83-Y368 HydrophobicContact CH2-CE1 4.32Å; W83-Y368 HydrophobicContact CH2-CE2 4.31Å; W83-Y368 AromaticContact CH2-CG 3.63Å; W83-Y368 HydrophobicContact CH2-CG 3.63Å; W83-Y368 HydrophobicContact CZ2-CD1 4.21Å; W83-Y368 AromaticContact CZ2-CD2 3.35Å; W83-Y368 HydrophobicContact CZ2-CD2 3.35Å; W83-Y368 AromaticContact CZ2-CE2 3.77Å; W83-Y368 HydrophobicContact CZ2-CE2 3.77Å; W83-Y368 AromaticContact CZ2-CG 3.58Å; W83-Y368 HydrophobicContact CZ2-CG 3.58Å; T85-Y368 WeakPolarHBondContact CB-O 3.22Å; T85-Y368 PolarHBondContact OG1-O 3.5Å; Y86-Y368 PolarHBondContact N-O 3Å; L139-Y368 HydrophobicContact CD1-CE1 3.87Å; D365-Y368 HydrophobicContact CB-CE2 4.05Å; D365-Y368 WeakPolarHBondContact O-CD2 3.33Å; P366-Y368 PolarHBondContact O-N 3.39Å; Y368-Q370 PolarHBondContact O-N 3.12Å; Y368-K391 WeakPolarHBondContact OH-CE 3.23Å; Y368-K391 PolarHBondContact OH-NZ 2.89Å
369	C	92.1	Very high	93.9	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.108	23%	0.234	C	C	.	.			trans	-74.1	115.5	172.5	-156.6	0	0	0	0	108.9	N22 E88 C102 R144	N22-C369 VanDerWaalsContact CG-SG 3.56Å; N22-C369 WeakPolarHBondContact OD1-CB 3.31Å; N22-C369 PolarHBondContact OD1-SG 2.68Å; E88-C369 PolarHBondContact OE2-SG 2.61Å; C102-C369 HydrophobicContact CB-CB 4.16Å; C102-C369 WeakPolarHBondContact CB-SG 3.04Å; C102-C369 WeakPolarHBondContact SG-CB 3.34Å; C102-C369 CovalentContact SG-SG 2.06Å; C102-C369 PolarHBondContact SG-SG 2.93Å; R144-C369 PolarHBondContact NH1-O 3.04Å
370	Q	92.3	Very high	93.9	Very high	25 Å²	25	35.8 Å²	35.8	12%	0.117	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.4	178.1	-60.7	-167.5	93.3	0	0	109.4	T85 Y86 R87 E88 Y368 S384	T85-Q370 WeakPolarHBondContact OG1-CG 3.36Å; T85-Q370 PolarHBondContact OG1-NE2 2.81Å; Y86-Q370 PolarHBondContact O-N 3.3Å; R87-Q370 CarbonylContact C-O 3.51Å; R87-Q370 WeakPolarHBondContact CA-O 3.14Å; R87-Q370 WeakPolarHBondContact CD-O 3.36Å; E88-Q370 PolarHBondContact N-O 2.91Å; Y368-Q370 PolarHBondContact O-N 3.12Å; Q370-S384 PolarHBondContact NE2-O 2.99Å
371	S	93.8	Very high	93.8	Very high	31 Å²	31	37.8 Å²	37.8	22%	0.217	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	147.7	176.8	-54.8	0	0	0	0	111.3	R87 R151	R87-S371 WeakPolarHBondContact CD-O 3.17Å; R87-S371 PolarHBondContact NH1-O 2.94Å; R151-S371 VanDerWaalsContact CZ-OG 3.27Å; R151-S371 PolarHBondContact NH1-OG 3.3Å; R151-S371 PolarHBondContact NH2-OG 2.97Å
372	F	94.1	Very high	93.7	Very high	54 Å²	54	38 Å²	38	24%	0.237	22%	0.222	C	C	.	.			trans	-48.5	137.9	169.5	166.2	-112.5	0	0	0	111.5	E88 F90 D204 V205 N374	E88-F372 VanDerWaalsContact O-CB 3.29Å; E88-F372 WeakPolarHBondContact O-CB 3.46Å; E88-F372 PolarHBondContact O-N 3.5Å; F90-F372 HydrophobicContact CB-CB 4.11Å; F90-F372 HydrophobicContact CB-CD2 3.89Å; F90-F372 HydrophobicContact CB-CG 4.09Å; D204-F372 HydrophobicContact CB-CD2 4.09Å; D204-F372 HydrophobicContact CB-CE2 4.45Å; V205-F372 HydrophobicContact CG1-CE2 3.8Å; V205-F372 HydrophobicContact CG1-CZ 3.87Å; F372-N374 HydrophobicContact CE1-CB 4.01Å; F372-N374 HydrophobicContact CZ-CB 4.17Å
373	V	95.3	Very high	93.5	Very high	14 Å²	14	41.9 Å²	41.9	9%	0.085	24%	0.241	C	C	.	.			trans	-110.2	123.1	172.7	176.5	0	0	0	0	107.7	V375 F380 P381 Y385	V373-V375 HydrophobicContact CG1-CG1 4.49Å; V373-V375 PolarHBondContact O-N 3.4Å; V373-F380 HydrophobicContact CG1-CB 4.25Å; V373-F380 HydrophobicContact CG1-CD2 4.4Å; V373-P381 HydrophobicContact CG1-CG 3.95Å; V373-Y385 HydrophobicContact CB-CE2 4.03Å; V373-Y385 HydrophobicContact CG1-CE2 4.22Å; V373-Y385 HydrophobicContact CG2-CE2 4.03Å
374	N	93.4	Very high	93.4	Very high	86 Å²	86	41.4 Å²	41.4	46%	0.46	24%	0.242	S	C	.	.			trans	-75.6	113.7	172.3	-176.1	8.2	0	0	0	109.5	F372 S376 F380	F372-N374 HydrophobicContact CE1-CB 4.01Å; F372-N374 HydrophobicContact CZ-CB 4.17Å; N374-S376 VanDerWaalsContact C-N 3.34Å; N374-S376 PolarHBondContact ND2-OG 2.06Å; N374-S376 VanDerWaalsContact OD1-CB 3.23Å; N374-S376 WeakPolarHBondContact OD1-CB 3.29Å; N374-S376 PolarHBondContact OD1-N 2.82Å; N374-S376 PolarHBondContact OD1-OG 3.47Å; N374-F380 WeakPolarHBondContact O-CB 3.32Å
375	V	93.8	Very high	93.4	Very high	24 Å²	24	41.4 Å²	41.4	15%	0.145	24%	0.242	C	C	.	.			trans	-92.3	10.4	179.1	-58.4	0	0	0	0	113.3	A203 V373 T377 F380	A203-V375 HydrophobicContact CB-CB 4.21Å; A203-V375 HydrophobicContact CB-CG1 3.82Å; A203-V375 HydrophobicContact CB-CG2 3.34Å; V373-V375 HydrophobicContact CG1-CG1 4.49Å; V373-V375 PolarHBondContact O-N 3.4Å; V375-T377 PolarHBondContact O-N 3.05Å; V375-F380 HydrophobicContact CB-CD1 3.75Å; V375-F380 HydrophobicContact CB-CE1 3.92Å; V375-F380 HydrophobicContact CB-CG 4.2Å; V375-F380 HydrophobicContact CB-CZ 4.45Å; V375-F380 HydrophobicContact CG1-CD1 4.05Å; V375-F380 HydrophobicContact CG1-CD2 4.1Å; V375-F380 HydrophobicContact CG1-CE1 4.16Å; V375-F380 HydrophobicContact CG1-CE2 4.17Å; V375-F380 HydrophobicContact CG1-CG 4.06Å; V375-F380 HydrophobicContact CG1-CZ 4.22Å
376	S	90.4	Very high	93.5	Very high	92 Å²	92	40.7 Å²	40.7	64%	0.643	24%	0.238	S	C	*	.	S	Bend	trans	-70.2	-17.2	-178.7	71.5	0	0	0	0	113.9	N374	N374-S376 VanDerWaalsContact C-N 3.34Å; N374-S376 PolarHBondContact ND2-OG 2.06Å; N374-S376 VanDerWaalsContact OD1-CB 3.23Å; N374-S376 WeakPolarHBondContact OD1-CB 3.29Å; N374-S376 PolarHBondContact OD1-N 2.82Å; N374-S376 PolarHBondContact OD1-OG 3.47Å
377	T	88.6	Confident	93.4	Very high	65 Å²	65	40.9 Å²	40.9	40%	0.399	24%	0.239	S	C	.	.	S	Bend	trans	-101.4	145.4	175.8	69.3	0	0	0	0	109.4	V375 D379 F380	V375-T377 PolarHBondContact O-N 3.05Å; T377-D379 WeakPolarHBondContact CB-OD1 3.23Å; T377-D379 PolarHBondContact O-N 2.82Å; T377-D379 PolarHBondContact OG1-OD1 3.12Å; T377-F380 WeakPolarHBondContact O-CD1 3.37Å; T377-F380 PolarHBondContact O-N 2.89Å
378	S	85.8	Confident	93.1	Very high	107 Å²	107	41.2 Å²	41.2	75%	0.748	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.1	-178.5	49.5	0	0	0	0	113.7	R196	R196-S378 WeakPolarHBondContact CD-O 3.44Å; R196-S378 PolarHBondContact NH1-O 3.38Å
379	D	89.9	Confident	93	Very high	120 Å²	120	42.7 Å²	42.7	64%	0.642	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	18.2	-174.3	67.1	-22.6	0	0	0	114.1	T377	T377-D379 WeakPolarHBondContact CB-OD1 3.23Å; T377-D379 PolarHBondContact O-N 2.82Å; T377-D379 PolarHBondContact OG1-OD1 3.12Å
380	F	95.1	Very high	93	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.031	26%	0.256	C	S	.	.			trans	-54.9	148.8	-178.1	67.5	-105.6	0	0	0	112.6	R196 V199 V373 N374 V375 T377 L382	R196-F380 HydrophobicContact CB-CE1 4.34Å; R196-F380 HydrophobicContact CB-CZ 4.09Å; R196-F380 HydrophobicContact CG-CZ 4.38Å; R196-F380 PolarHBondContact NH1-O 3.21Å; R196-F380 WeakPolarHBondContact O-CZ 3.34Å; V199-F380 HydrophobicContact CB-CE2 4.04Å; V199-F380 HydrophobicContact CB-CZ 4.04Å; V199-F380 HydrophobicContact CG1-CE2 3.59Å; V199-F380 HydrophobicContact CG1-CZ 3.98Å; V373-F380 HydrophobicContact CG1-CB 4.25Å; V373-F380 HydrophobicContact CG1-CD2 4.4Å; N374-F380 WeakPolarHBondContact O-CB 3.32Å; V375-F380 HydrophobicContact CB-CD1 3.75Å; V375-F380 HydrophobicContact CB-CE1 3.92Å; V375-F380 HydrophobicContact CB-CG 4.2Å; V375-F380 HydrophobicContact CB-CZ 4.45Å; V375-F380 HydrophobicContact CG1-CD1 4.05Å; V375-F380 HydrophobicContact CG1-CD2 4.1Å; V375-F380 HydrophobicContact CG1-CE1 4.16Å; V375-F380 HydrophobicContact CG1-CE2 4.17Å; V375-F380 HydrophobicContact CG1-CG 4.06Å; V375-F380 HydrophobicContact CG1-CZ 4.22Å; T377-F380 WeakPolarHBondContact O-CD1 3.37Å; T377-F380 PolarHBondContact O-N 2.89Å; F380-L382 HydrophobicContact CD2-CD2 4.32Å; F380-L382 HydrophobicContact CE2-CD2 3.55Å; F380-L382 HydrophobicContact CE2-CG 4.28Å; F380-L382 HydrophobicContact CZ-CD2 4.24Å; F380-L382 PolarHBondContact O-N 2.76Å
381	P	94.7	Very high	93	Very high	71 Å²	71	43.4 Å²	43.4	46%	0.461	26%	0.258	S	S	.	.			trans	-71.1	128.7	-176.3	27.7	-35	0	0	0	112.1	V373	V373-P381 HydrophobicContact CG1-CG 3.95Å
382	L	95.7	Very high	93.1	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	26%	0.259	C	S	.	.			trans	-92.4	-17.9	-178.3	-70.2	162.8	0	0	0	113.3	W130 R196 V199 F380 S384 Y385 H386	W130-L382 HydrophobicContact CZ2-CB 3.95Å; R196-L382 HydrophobicContact CG-CD1 4Å; R196-L382 HydrophobicContact CG-CD2 4.35Å; V199-L382 HydrophobicContact CB-CD2 4.12Å; V199-L382 HydrophobicContact CG1-CD2 4.26Å; V199-L382 HydrophobicContact CG2-CD2 3.79Å; F380-L382 HydrophobicContact CD2-CD2 4.32Å; F380-L382 HydrophobicContact CE2-CD2 3.55Å; F380-L382 HydrophobicContact CE2-CG 4.28Å; F380-L382 HydrophobicContact CZ-CD2 4.24Å; F380-L382 PolarHBondContact O-N 2.76Å; L382-S384 PolarHBondContact O-N 3.15Å; L382-S384 VanDerWaalsContact O-N 3.09Å; L382-Y385 WeakPolarHBondContact O-CA 3.44Å; L382-Y385 WeakPolarHBondContact O-CB 3.35Å; L382-Y385 PolarHBondContact O-N 3.16Å; L382-H386 PolarHBondContact O-CD2 3.02Å
383	Q	94.9	Very high	93.1	Very high	83 Å²	83	43.2 Å²	43.2	39%	0.388	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-58.4	-34.3	-168	-64.1	72.8	18.5	0	0	113	W130 E132 L136 Y385 H386	W130-Q383 HydrophobicContact CH2-CB 4.5Å; W130-Q383 HydrophobicContact CH2-CG 4.13Å; E132-Q383 PolarHBondContact OE2-NE2 2.98Å; L136-Q383 HydrophobicContact CD2-CB 3.94Å; L136-Q383 HydrophobicContact CD2-CG 4.19Å; Q383-Y385 PolarHBondContact O-N 2.84Å; Q383-H386 PolarHBondContact O-N 2.99Å
384	S	95.2	Very high	93.2	Very high	22 Å²	22	44.8 Å²	44.8	15%	0.154	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-73.9	-8.2	178.5	69.8	0	0	0	0	114.5	R87 Q370 L382	R87-S384 PolarHBondContact NH1-OG 3.46Å; R87-S384 PolarHBondContact NH2-O 3.11Å; R87-S384 PolarHBondContact NH2-OG 2.87Å; Q370-S384 PolarHBondContact NE2-O 2.99Å; L382-S384 PolarHBondContact O-N 3.15Å; L382-S384 VanDerWaalsContact O-N 3.09Å
385	Y	97.5	Very high	93.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-100.2	10.7	177.9	-65	-85.3	0	0	0	112.8	W83 L84 V199 V373 L382 Q383	W83-Y385 PolarHBondContact N-O 3.03Å; W83-Y385 WeakPolarHBondContact O-CA 3.45Å; L84-Y385 HydrophobicContact CD2-CD1 3.55Å; L84-Y385 HydrophobicContact CD2-CE1 3.73Å; V199-Y385 HydrophobicContact CG1-CD1 3.78Å; V199-Y385 HydrophobicContact CG1-CD2 3.72Å; V199-Y385 HydrophobicContact CG1-CE1 3.84Å; V199-Y385 HydrophobicContact CG1-CE2 3.77Å; V199-Y385 HydrophobicContact CG1-CG 3.72Å; V373-Y385 HydrophobicContact CB-CE2 4.03Å; V373-Y385 HydrophobicContact CG1-CE2 4.22Å; V373-Y385 HydrophobicContact CG2-CE2 4.03Å; L382-Y385 WeakPolarHBondContact O-CA 3.44Å; L382-Y385 WeakPolarHBondContact O-CB 3.35Å; L382-Y385 PolarHBondContact O-N 3.16Å; Q383-Y385 PolarHBondContact O-N 2.84Å
386	H	97.6	Very high	93.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-134	136.5	-179.1	-72.9	-76.2	0	0	0	110.8	A79 S80 W130 L136 H195 L382 Q383	A79-H386 WeakPolarHBondContact O-CB 3.24Å; A79-H386 PolarHBondContact O-ND1 3.49Å; S80-H386 PolarHBondContact O-CE1 2.93Å; W130-H386 AromaticContact CD2-CD2 3.69Å; W130-H386 AromaticContact CD2-CG 3.98Å; W130-H386 AromaticContact CD2-NE2 3.75Å; W130-H386 HydrophobicContact CE3-CB 3.73Å; W130-H386 AromaticContact CE3-CD2 3.44Å; W130-H386 VanDerWaalsContact CE3-CD2 3.44Å; W130-H386 AromaticContact CE3-CG 3.33Å; W130-H386 AromaticContact CE3-ND1 3.76Å; W130-H386 AromaticContact CE3-NE2 3.9Å; W130-H386 HydrophobicContact CH2-CB 4.4Å; W130-H386 AromaticContact CH2-CD2 3.92Å; W130-H386 HydrophobicContact CZ3-CB 3.53Å; W130-H386 AromaticContact CZ3-CD2 3.58Å; W130-H386 AromaticContact CZ3-CG 3.55Å; L136-H386 HydrophobicContact CD1-CB 3.77Å; H195-H386 AromaticContact CE1-CE1 3.88Å; H195-H386 AromaticContact CE1-NE2 3.14Å; H195-H386 PolarHBondContact CE1-NE2 3.33Å; H195-H386 AromaticContact NE2-CE1 3.44Å; H195-H386 PolarHBondContact NE2-CE1 3.25Å; H195-H386 AromaticContact NE2-NE2 2.85Å; H195-H386 PolarHBondContact NE2-NE2 2.89Å; L382-H386 PolarHBondContact O-CD2 3.02Å; Q383-H386 PolarHBondContact O-N 2.99Å
387	C	95.1	Very high	93.5	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.027	26%	0.262	C	S	.	.			trans	-102.5	113	-173.7	-172.9	0	0	0	0	111.6	F78 A79 W83 M364 S389	F78-C387 WeakPolarHBondContact CD1-O 3.18Å; F78-C387 HydrophobicContact CE1-CB 3.97Å; A79-C387 VanDerWaalsContact CA-O 3.28Å; A79-C387 WeakPolarHBondContact CA-O 3.34Å; A79-C387 WeakPolarHBondContact CB-O 3.45Å; W83-C387 HydrophobicContact CB-CB 3.91Å; W83-C387 HydrophobicContact CD2-CB 3.61Å; W83-C387 HydrophobicContact CE3-CB 3.93Å; W83-C387 HydrophobicContact CG-CB 3.63Å; M364-C387 HydrophobicContact CE-CB 3.87Å; C387-S389 PolarHBondContact O-N 3.44Å; C387-S389 PolarHBondContact SG-O 3.24Å; C387-S389 VanDerWaalsContact SG-O 3.36Å
388	P	89.4	Confident	93.8	Very high	24 Å²	24	43.4 Å²	43.4	16%	0.156	25%	0.245	C	C	.	.	S	Bend	trans	-79.4	-5.1	-178.4	32.9	-36.7	0	0	0	113.6	L136 P137 L139	L136-P388 HydrophobicContact CB-CB 3.74Å; L136-P388 HydrophobicContact CB-CG 4.36Å; L136-P388 HydrophobicContact CD1-CB 3.93Å; L136-P388 HydrophobicContact CD1-CG 4.43Å; P137-P388 WeakPolarHBondContact O-CG 3.39Å; L139-P388 HydrophobicContact CD1-CG 4.25Å; L139-P388 HydrophobicContact CD2-CG 4.38Å; L139-P388 HydrophobicContact CG-CG 3.74Å
389	S	88.9	Confident	94.3	Very high	45 Å²	45	39.6 Å²	39.6	32%	0.315	22%	0.216	S	C	.	.	S	Bend	trans	-139.2	102.3	-167.4	-65.2	0	0	0	0	112	C387	C387-S389 PolarHBondContact O-N 3.44Å; C387-S389 PolarHBondContact SG-O 3.24Å; C387-S389 VanDerWaalsContact SG-O 3.36Å
390	P	91.3	Very high	94.6	Very high	17 Å²	17	34 Å²	34	11%	0.11	19%	0.186	C	C	.	.			trans	-66.2	145.7	176.2	26.6	-34	0	0	0	111.9	T33 F35 F74 F78 I362	T33-P390 WeakPolarHBondContact CB-O 3.48Å; T33-P390 PolarHBondContact OG1-O 2.93Å; F35-P390 HydrophobicContact CE2-CG 3.83Å; F35-P390 HydrophobicContact CZ-CB 4.01Å; F35-P390 HydrophobicContact CZ-CG 3.71Å; F74-P390 HydrophobicContact CE1-CG 3.97Å; F74-P390 HydrophobicContact CZ-CB 4.34Å; F74-P390 HydrophobicContact CZ-CG 4.19Å; F78-P390 HydrophobicContact CD1-CB 3.9Å; F78-P390 HydrophobicContact CD1-CG 4.28Å; F78-P390 HydrophobicContact CD2-CB 3.85Å; F78-P390 VanDerWaalsContact CE1-CA 3.41Å; F78-P390 HydrophobicContact CE1-CB 3.7Å; F78-P390 HydrophobicContact CE1-CG 4.41Å; F78-P390 HydrophobicContact CE2-CB 3.63Å; F78-P390 HydrophobicContact CG-CB 3.99Å; F78-P390 HydrophobicContact CG-CG 4.47Å; F78-P390 HydrophobicContact CZ-CB 3.57Å; I362-P390 HydrophobicContact CG2-CB 4.11Å
391	K	93.7	Very high	94.7	Very high	39 Å²	39	35.1 Å²	35.1	17%	0.17	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	152.2	173.1	-61	-161.4	-175.3	-175.7	0	111.1	I362 Y363 D365 Y368	I362-K391 VanDerWaalsContact CA-O 3.3Å; I362-K391 WeakPolarHBondContact CA-O 3.31Å; Y363-K391 HydrophobicContact CD1-CB 3.97Å; Y363-K391 WeakPolarHBondContact CD1-O 3.28Å; Y363-K391 HydrophobicContact CD2-CB 4.22Å; Y363-K391 HydrophobicContact CE1-CB 3.49Å; Y363-K391 VanDerWaalsContact CE1-CB 3.49Å; Y363-K391 HydrophobicContact CE2-CB 3.78Å; Y363-K391 HydrophobicContact CE2-CD 3.94Å; Y363-K391 HydrophobicContact CE2-CG 4.41Å; Y363-K391 HydrophobicContact CG-CB 4.31Å; Y363-K391 PolarHBondContact N-O 3.27Å; Y363-K391 PolarHBondContact O-N 2.95Å; D365-K391 HydrophobicContact CB-CD 3.81Å; D365-K391 WeakPolarHBondContact OD2-CE 3.45Å; D365-K391 IonicContact OD2-NZ 3.3Å; D365-K391 PolarHBondContact OD2-NZ 2.96Å; Y368-K391 WeakPolarHBondContact OH-CE 3.23Å; Y368-K391 PolarHBondContact OH-NZ 2.89Å
392	K	94.8	Very high	94.8	Very high	53 Å²	53	31.8 Å²	31.8	23%	0.23	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146	174.6	-75.2	-162.7	-53	179.4	0	112.9	T33 A34 F35 L361 I362	T33-K392 HydrophobicContact CG2-CB 3.78Å; T33-K392 HydrophobicContact CG2-CD 4.23Å; T33-K392 HydrophobicContact CG2-CG 3.63Å; A34-K392 WeakPolarHBondContact O-CE 3.45Å; A34-K392 PolarHBondContact O-NZ 3.42Å; F35-K392 HydrophobicContact CD1-CD 4.26Å; F35-K392 HydrophobicContact CE1-CD 3.92Å; F35-K392 HydrophobicContact CE1-CG 4.33Å; F35-K392 HydrophobicContact CZ-CD 4.29Å; F35-K392 HydrophobicContact CZ-CG 4.28Å; L361-K392 CarbonylContact O-C 3.55Å; L361-K392 WeakPolarHBondContact O-CA 3.29Å; I362-K392 HydrophobicContact CG1-CD 4.13Å; I362-K392 HydrophobicContact CG1-CG 3.84Å
393	M	94.7	Very high	95	Very high	28 Å²	28	31.6 Å²	31.6	14%	0.138	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.7	167.8	59.5	178.7	-106.8	0	0	111.2	F353 S360 L361 Y363 K397 M398	F353-M393 HydrophobicContact CE1-CE 3.83Å; F353-M393 HydrophobicContact CE1-CG 4.27Å; F353-M393 HydrophobicContact CE1-SD 3.7Å; F353-M393 HydrophobicContact CZ-CE 4.04Å; F353-M393 HydrophobicContact CZ-SD 4.25Å; S360-M393 CarbonylContact C-O 3.45Å; S360-M393 VanDerWaalsContact CA-O 3.25Å; S360-M393 WeakPolarHBondContact CA-O 3.19Å; L361-M393 HydrophobicContact CB-CG 4.35Å; L361-M393 PolarHBondContact N-O 3.23Å; L361-M393 PolarHBondContact O-N 3.27Å; Y363-M393 HydrophobicContact CD1-CG 3.91Å; Y363-M393 HydrophobicContact CD1-SD 4.35Å; Y363-M393 HydrophobicContact CE1-CB 4.01Å; Y363-M393 HydrophobicContact CE1-CG 3.75Å; Y363-M393 HydrophobicContact CE1-SD 4.13Å; M393-K397 HydrophobicContact CE-CB 4Å; M393-K397 WeakPolarHBondContact CE-O 3.37Å; M393-M398 HydrophobicContact CE-CB 3.87Å
394	P	96.8	Very high	95.1	Very high	47 Å²	47	27.7 Å²	27.7	31%	0.305	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	142.8	173.6	-24.7	33.8	0	0	0	112.2	D359 S396 K397	D359-P394 WeakPolarHBondContact O-CA 3.47Å; P394-S396 PolarHBondContact O-N 2.99Å; P394-S396 VanDerWaalsContact O-N 3.16Å; P394-K397 HydrophobicContact CB-CG 4.42Å; P394-K397 HydrophobicContact CG-CD 4.44Å; P394-K397 PolarHBondContact O-N 3.23Å
395	F	95.3	Very high	95.3	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.018	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-53.1	-35.7	173.9	-83.7	-88.7	0	0	0	112.4	F327 A330 K331 F356 D359 L361 K397 M398	F327-F395 HydrophobicContact CB-CD1 4.42Å; F327-F395 HydrophobicContact CB-CG 4.41Å; F327-F395 HydrophobicContact CD1-CB 3.74Å; F327-F395 HydrophobicContact CD1-CD1 4.19Å; F327-F395 HydrophobicContact CD1-CG 4.27Å; F327-F395 HydrophobicContact CD2-CB 3.87Å; F327-F395 HydrophobicContact CE1-CB 3.81Å; F327-F395 HydrophobicContact CE2-CB 3.95Å; F327-F395 HydrophobicContact CG-CB 3.78Å; F327-F395 HydrophobicContact CG-CD1 4.37Å; F327-F395 HydrophobicContact CG-CG 4.18Å; F327-F395 HydrophobicContact CZ-CB 3.93Å; A330-F395 HydrophobicContact CB-CE1 4.01Å; K331-F395 HydrophobicContact CD-CE2 4.31Å; K331-F395 HydrophobicContact CD-CZ 4.36Å; K331-F395 VanDerWaalsContact CE-CE2 3.47Å; K331-F395 HydrophobicContact CG-CE1 4.27Å; K331-F395 HydrophobicContact CG-CE2 3.94Å; K331-F395 HydrophobicContact CG-CZ 3.51Å; F356-F395 HydrophobicContact CB-CE2 3.98Å; F356-F395 HydrophobicContact CB-CZ 3.84Å; F356-F395 HydrophobicContact CG-CZ 4.33Å; D359-F395 VanDerWaalsContact C-CD2 3.44Å; D359-F395 WeakPolarHBondContact O-CD2 3.48Å; D359-F395 PolarHBondContact O-N 3.19Å; D359-F395 VanDerWaalsContact O-N 3.09Å; L361-F395 HydrophobicContact CD1-CD1 3.85Å; L361-F395 HydrophobicContact CD1-CE1 4.1Å; L361-F395 HydrophobicContact CD1-CG 4.33Å; L361-F395 HydrophobicContact CD2-CD1 3.91Å; L361-F395 HydrophobicContact CD2-CE1 3.27Å; L361-F395 HydrophobicContact CD2-CE2 4.3Å; L361-F395 HydrophobicContact CD2-CZ 3.48Å; L361-F395 VanDerWaalsContact CD2-CZ 3.48Å; L361-F395 HydrophobicContact CG-CD1 3.67Å; L361-F395 HydrophobicContact CG-CD2 4.28Å; L361-F395 HydrophobicContact CG-CE1 3.54Å; L361-F395 HydrophobicContact CG-CE2 4.12Å; L361-F395 HydrophobicContact CG-CG 4.04Å; L361-F395 HydrophobicContact CG-CZ 3.75Å; F395-K397 PolarHBondContact O-N 3.23Å; F395-K397 VanDerWaalsContact O-N 3.09Å; F395-M398 VanDerWaalsContact O-CB 3.26Å; F395-M398 WeakPolarHBondContact O-CB 3.45Å; F395-M398 PolarHBondContact O-N 3.24Å
396	S	94.8	Very high	95.4	Very high	76 Å²	76	26.6 Å²	26.6	53%	0.531	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-62.4	-15.5	177.6	59.7	0	0	0	0	115	P394	P394-S396 PolarHBondContact O-N 2.99Å; P394-S396 VanDerWaalsContact O-N 3.16Å
397	K	94.6	Very high	95.4	Very high	151 Å²	151	27.4 Å²	27.4	66%	0.657	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-95.5	-8.2	175.2	-64	-167	-176.8	177.5	0	113.4	M393 P394 F395	M393-K397 HydrophobicContact CE-CB 4Å; M393-K397 WeakPolarHBondContact CE-O 3.37Å; P394-K397 HydrophobicContact CB-CG 4.42Å; P394-K397 HydrophobicContact CG-CD 4.44Å; P394-K397 PolarHBondContact O-N 3.23Å; F395-K397 PolarHBondContact O-N 3.23Å; F395-K397 VanDerWaalsContact O-N 3.09Å
398	M	94.1	Very high	95.6	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.034	15%	0.148	C	C	.	.	S	Bend	trans	-65.6	136.1	175.3	-171	-177.6	164.6	0	0	109.4	T322 I342 F353 L361 M393 F395 C402	T322-M398 PolarHBondContact OG1-O 3.32Å; I342-M398 HydrophobicContact CG2-CE 3.78Å; F353-M398 HydrophobicContact CD2-CE 4.2Å; F353-M398 HydrophobicContact CE2-CE 4.1Å; F353-M398 HydrophobicContact CE2-CG 4.06Å; F353-M398 HydrophobicContact CE2-SD 4.39Å; F353-M398 HydrophobicContact CZ-CG 3.97Å; L361-M398 HydrophobicContact CD1-CB 3.83Å; L361-M398 HydrophobicContact CD1-CG 3.96Å; L361-M398 HydrophobicContact CD1-SD 3.51Å; L361-M398 VanDerWaalsContact CD1-SD 3.51Å; M393-M398 HydrophobicContact CE-CB 3.87Å; F395-M398 VanDerWaalsContact O-CB 3.26Å; F395-M398 WeakPolarHBondContact O-CB 3.45Å; F395-M398 PolarHBondContact O-N 3.24Å; M398-C402 HydrophobicContact CE-CB 3.55Å
399	D	95.8	Very high	95.9	Very high	27 Å²	27	31.9 Å²	31.9	14%	0.144	17%	0.166	C	C	.	.			trans	-69	139.5	172	-166.8	-92.3	0	0	0	109.9	K346 S401	K346-D399 WeakPolarHBondContact CE-OD2 3.4Å; K346-D399 HydrophobicContact CG-CB 4.12Å; K346-D399 WeakPolarHBondContact CG-OD2 3.41Å; D399-S401 PolarHBondContact O-N 3.42Å; D399-S401 WeakPolarHBondContact OD1-CB 3.45Å; D399-S401 PolarHBondContact OD1-N 3.3Å
400	P	96.1	Very high	96.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.159	C	C	.	.	S	Bend	trans	-66.5	-22.1	-179.1	24	-33.2	0	0	0	113.5	R316 L317 G318 G319 T322	R316-P400 CarbonylContact C-O 3.53Å; R316-P400 WeakPolarHBondContact CA-O 3.27Å; R316-P400 HydrophobicContact CG-CB 4.44Å; L317-P400 PolarHBondContact N-O 3.43Å; G318-P400 WeakPolarHBondContact O-CB 3.04Å; G319-P400 WeakPolarHBondContact O-CG 3.41Å; T322-P400 WeakPolarHBondContact OG1-CA 3.44Å
401	S	97.1	Very high	96.4	Very high	31 Å²	31	31.5 Å²	31.5	22%	0.217	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.5	174.3	-171.1	0	0	0	0	110.4	D399	D399-S401 PolarHBondContact O-N 3.42Å; D399-S401 WeakPolarHBondContact OD1-CB 3.45Å; D399-S401 PolarHBondContact OD1-N 3.3Å
402	C	98	Very high	96.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	169.6	179.9	61.4	0	0	0	0	111.8	V315 I342 I343 M398	V315-C402 WeakPolarHBondContact CG2-SG 3.45Å; V315-C402 PolarHBondContact N-O 3.05Å; V315-C402 PolarHBondContact O-N 3.33Å; V315-C402 VanDerWaalsContact O-O 3.09Å; I342-C402 HydrophobicContact CG2-CB 3.75Å; I343-C402 CarbonylContact O-C 3.46Å; I343-C402 WeakPolarHBondContact O-CA 3.29Å; I343-C402 WeakPolarHBondContact O-CB 3.1Å; M398-C402 HydrophobicContact CE-CB 3.55Å
403	T	98.8	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.8	173.4	-60.2	0	0	0	0	108.2	M114 P232 A236 L312 I313 P314 I342 I343	M114-T403 VanDerWaalsContact CE-O 3.31Å; M114-T403 WeakPolarHBondContact CE-O 3.33Å; P232-T403 VanDerWaalsContact C-OG1 3.28Å; P232-T403 VanDerWaalsContact CB-OG1 3.29Å; P232-T403 WeakPolarHBondContact CB-OG1 3.33Å; P232-T403 PolarHBondContact O-OG1 3.5Å; A236-T403 HydrophobicContact CB-CG2 4.19Å; L312-T403 HydrophobicContact CB-CG2 3.97Å; I313-T403 WeakPolarHBondContact O-CA 3.47Å; P314-T403 HydrophobicContact CG-CG2 4.3Å; I342-T403 WeakPolarHBondContact CA-O 3.43Å; I342-T403 WeakPolarHBondContact CG2-O 3.35Å; I343-T403 PolarHBondContact N-O 2.69Å; I343-T403 PolarHBondContact O-N 3.34Å
404	F	98.6	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.2	168.5	-66.6	-79.5	0	0	0	109.6	L312 I313 V315 L317 F329 I333 I342 F406 F434	L312-F404 WeakPolarHBondContact CA-O 2.97Å; I313-F404 HydrophobicContact CB-CB 4.45Å; I313-F404 PolarHBondContact N-O 2.97Å; I313-F404 PolarHBondContact O-N 3.23Å; V315-F404 HydrophobicContact CG1-CD2 4.17Å; V315-F404 HydrophobicContact CG1-CE2 4.36Å; V315-F404 HydrophobicContact CG2-CD2 3.75Å; V315-F404 HydrophobicContact CG2-CE2 3.53Å; L317-F404 HydrophobicContact CD1-CE2 4.41Å; L317-F404 HydrophobicContact CD1-CZ 4.13Å; L317-F404 HydrophobicContact CD2-CE2 4.34Å; F329-F404 HydrophobicContact CD1-CZ 4.29Å; F329-F404 HydrophobicContact CE1-CE2 4Å; F329-F404 AromaticContact CE1-CZ 3.9Å; F329-F404 HydrophobicContact CE1-CZ 3.9Å; I333-F404 HydrophobicContact CB-CE1 4.48Å; I333-F404 HydrophobicContact CD1-CD1 3.94Å; I333-F404 HydrophobicContact CD1-CE1 3.85Å; I333-F404 HydrophobicContact CD1-CG 4.37Å; I333-F404 HydrophobicContact CD1-CZ 4.2Å; I333-F404 HydrophobicContact CG2-CD1 3.82Å; I333-F404 HydrophobicContact CG2-CE1 4.17Å; I342-F404 HydrophobicContact CD1-CD1 3.78Å; I342-F404 HydrophobicContact CD1-CE1 3.39Å; I342-F404 HydrophobicContact CD1-CZ 4.4Å; I342-F404 HydrophobicContact CG1-CD1 3.58Å; I342-F404 HydrophobicContact CG1-CE1 3.77Å; I342-F404 HydrophobicContact CG2-CD1 4.39Å; F404-F406 HydrophobicContact CB-CE2 3.86Å; F404-F406 HydrophobicContact CB-CZ 4.25Å; F404-F434 HydrophobicContact CD2-CE1 4.43Å
405	G	98.8	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.3	174.6	0	0	0	0	0	111.8	I311 I340 G341	I311-G405 CarbonylContact O-C 3.31Å; I311-G405 WeakPolarHBondContact O-CA 3.09Å; I340-G405 WeakPolarHBondContact CG1-O 3.47Å; I340-G405 PolarHBondContact N-O 3.19Å; G341-G405 PolarHBondContact O-N 2.82Å
406	F	98.7	Very high	96.7	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.3	171.1	-52.8	-84.7	0	0	0	110.6	I311 I313 I333 L336 Y338 C339 F404 L421 F434	I311-F406 HydrophobicContact CB-CB 4.29Å; I311-F406 PolarHBondContact N-O 3.39Å; I311-F406 PolarHBondContact O-N 3.34Å; I313-F406 HydrophobicContact CD1-CD2 4.12Å; I313-F406 HydrophobicContact CD1-CE2 3.8Å; I313-F406 HydrophobicContact CG1-CE2 4.42Å; I333-F406 HydrophobicContact CD1-CZ 4.09Å; I333-F406 HydrophobicContact CG1-CZ 4.28Å; I333-F406 HydrophobicContact CG2-CE1 3.81Å; I333-F406 HydrophobicContact CG2-CZ 3.82Å; L336-F406 HydrophobicContact CD1-CE1 4.32Å; Y338-F406 AromaticContact CD2-CD1 3.74Å; Y338-F406 HydrophobicContact CD2-CD1 3.74Å; Y338-F406 HydrophobicContact CD2-CE1 4.49Å; Y338-F406 AromaticContact CE2-CD1 3.91Å; Y338-F406 HydrophobicContact CE2-CD1 3.91Å; Y338-F406 HydrophobicContact CE2-CE1 4.27Å; Y338-F406 CarbonylContact O-C 3.5Å; Y338-F406 VanDerWaalsContact O-CA 3.29Å; Y338-F406 WeakPolarHBondContact O-CA 3.46Å; C339-F406 HydrophobicContact CB-CD1 4.37Å; C339-F406 HydrophobicContact CB-CE1 4.41Å; F404-F406 HydrophobicContact CB-CE2 3.86Å; F404-F406 HydrophobicContact CB-CZ 4.25Å; F406-L421 HydrophobicContact CD1-CD1 4.37Å; F406-L421 HydrophobicContact CD2-CD1 4.42Å; F406-L421 HydrophobicContact CE1-CD1 3.99Å; F406-L421 HydrophobicContact CE1-CD2 3.91Å; F406-L421 HydrophobicContact CE2-CD1 4.08Å; F406-L421 HydrophobicContact CZ-CD1 3.83Å; F406-L421 HydrophobicContact CZ-CD2 3.9Å; F406-F434 HydrophobicContact CE2-CZ 4.43Å
407	Y	98.6	Very high	96.7	Very high	19 Å²	19	37 Å²	37	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125	176.7	173.8	-105.8	0	0	0	110.2	A118 L121 H122 A308 I310 Y338 K409 I417	A118-Y407 HydrophobicContact CB-CD2 4.21Å; L121-Y407 HydrophobicContact CB-CD1 3.92Å; L121-Y407 HydrophobicContact CB-CE1 4.15Å; L121-Y407 HydrophobicContact CB-CG 4.47Å; L121-Y407 HydrophobicContact CD1-CD1 4.01Å; L121-Y407 HydrophobicContact CD1-CG 4.25Å; H122-Y407 HydrophobicContact CB-CE2 4.22Å; H122-Y407 AromaticContact ND1-CZ 3.75Å; H122-Y407 PolarHBondContact ND1-OH 2.77Å; A308-Y407 HydrophobicContact CB-CE2 3.92Å; I310-Y407 HydrophobicContact CG1-CD2 4.24Å; Y338-Y407 PolarHBondContact O-N 3.19Å; Y407-K409 HydrophobicContact CE1-CB 4.1Å; Y407-I417 WeakPolarHBondContact O-CD1 3.38Å
408	S	98	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.7	178.1	-177.9	0	0	0	0	109	H273 A308 V309 S410 Y414	H273-S408 PolarHBondContact CE1-O 2.9Å; H273-S408 PolarHBondContact CE1-OG 3.41Å; H273-S408 PolarHBondContact NE2-OG 3.3Å; A308-S408 CarbonylContact C-O 3.53Å; A308-S408 WeakPolarHBondContact CA-O 3.34Å; V309-S408 PolarHBondContact N-O 2.91Å; V309-S408 PolarHBondContact O-N 2.84Å; S408-S410 PolarHBondContact OG-O 3.37Å; S408-Y414 WeakPolarHBondContact OG-CA 3.34Å; S408-Y414 WeakPolarHBondContact OG-CB 3.28Å; S408-Y414 PolarHBondContact OG-N 3.23Å
409	K	96.3	Very high	96.7	Very high	123 Å²	123	36.4 Å²	36.4	54%	0.535	17%	0.174	S	C	.	.	S	Bend	trans	-77.6	-29.3	179.3	-167.9	176.6	179.4	172	0	111.7	Y407 D413	Y407-K409 HydrophobicContact CE1-CB 4.1Å; K409-D413 WeakPolarHBondContact CB-OD2 3.35Å; K409-D413 PolarHBondContact N-OD2 2.99Å
410	S	95.8	Very high	96.5	Very high	24 Å²	24	38.6 Å²	38.6	17%	0.168	18%	0.183	C	C	.	.	S	Bend	trans	-145.2	167.7	-176.5	75.3	0	0	0	0	112.1	H273 S408 Q412 D413 Y414	H273-S410 PolarHBondContact CE1-O 3.25Å; H273-S410 PolarHBondContact NE2-O 2.84Å; S408-S410 PolarHBondContact OG-O 3.37Å; S410-Q412 PolarHBondContact O-N 3.29Å; S410-Q412 PolarHBondContact OG-N 2.81Å; S410-Q412 PolarHBondContact OG-OE1 3.22Å; S410-Q412 VanDerWaalsContact OG-OE1 3.08Å; S410-D413 WeakPolarHBondContact O-CB 3.47Å; S410-D413 PolarHBondContact O-N 3.02Å; S410-D413 VanDerWaalsContact O-N 3.09Å; S410-D413 PolarHBondContact OG-N 2.8Å; S410-D413 VanDerWaalsContact OG-N 3.14Å; S410-D413 PolarHBondContact OG-OD1 3.18Å; S410-Y414 PolarHBondContact O-N 3.07Å
411	A	95.4	Very high	96.3	Very high	29 Å²	29	38.7 Å²	38.7	24%	0.24	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-31.7	172.5	0	0	0	0	0	113.1	M270 H273 Y414 E415	M270-A411 HydrophobicContact CE-CB 3.84Å; M270-A411 HydrophobicContact SD-CB 3.8Å; H273-A411 HydrophobicContact CB-CB 4.26Å; A411-Y414 PolarHBondContact O-N 2.75Å; A411-E415 PolarHBondContact O-N 2.89Å
412	Q	95.5	Very high	96	Very high	137 Å²	137	38.9 Å²	38.9	64%	0.64	19%	0.185	S	C	*	.	H	α-helix	trans	-70.2	-37.6	174.8	-61.1	91.3	14	0	0	111.6	S410 Y414 E415 R416	S410-Q412 PolarHBondContact O-N 3.29Å; S410-Q412 PolarHBondContact OG-N 2.81Å; S410-Q412 PolarHBondContact OG-OE1 3.22Å; S410-Q412 VanDerWaalsContact OG-OE1 3.08Å; Q412-Y414 VanDerWaalsContact C-N 3.33Å; Q412-E415 PolarHBondContact O-N 2.76Å; Q412-R416 WeakPolarHBondContact O-CG 3.38Å; Q412-R416 PolarHBondContact O-N 2.95Å; Q412-R416 VanDerWaalsContact O-N 3.14Å
413	D	95.8	Very high	95.6	Very high	35 Å²	35	45.2 Å²	45.2	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-44.3	174.8	-66.3	0.3	0	0	0	110.4	K409 S410 E415 R416 I417	K409-D413 WeakPolarHBondContact CB-OD2 3.35Å; K409-D413 PolarHBondContact N-OD2 2.99Å; S410-D413 WeakPolarHBondContact O-CB 3.47Å; S410-D413 PolarHBondContact O-N 3.02Å; S410-D413 VanDerWaalsContact O-N 3.09Å; S410-D413 PolarHBondContact OG-N 2.8Å; S410-D413 VanDerWaalsContact OG-N 3.14Å; S410-D413 PolarHBondContact OG-OD1 3.18Å; D413-E415 VanDerWaalsContact C-N 3.28Å; D413-E415 PolarHBondContact O-N 3.39Å; D413-R416 WeakPolarHBondContact O-CB 3.44Å; D413-R416 PolarHBondContact O-N 3.02Å; D413-R416 IonicContact OD1-CZ 3.61Å; D413-R416 IonicContact OD1-NE 3.78Å; D413-R416 IonicContact OD1-NH2 3.99Å; D413-R416 PolarHBondContact OD1-NH2 3.1Å; D413-R416 IonicContact OD2-NH2 3.71Å; D413-I417 WeakPolarHBondContact O-CG1 3.34Å; D413-I417 PolarHBondContact O-N 2.95Å
414	Y	97.4	Very high	94.9	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-42.8	176.1	173.4	-114.3	0	0	0	112.2	S266 V269 M270 I311 S408 S410 A411 Q412 R416 I417 R418 F436	S266-Y414 WeakPolarHBondContact CA-OH 3.47Å; S266-Y414 PolarHBondContact OG-OH 3.46Å; S266-Y414 VanDerWaalsContact OG-OH 3.12Å; V269-Y414 HydrophobicContact CB-CD1 4.37Å; V269-Y414 HydrophobicContact CB-CD2 4.28Å; V269-Y414 HydrophobicContact CB-CE1 4.03Å; V269-Y414 HydrophobicContact CB-CE2 3.94Å; V269-Y414 HydrophobicContact CB-CG 4.48Å; V269-Y414 HydrophobicContact CG1-CD1 4.08Å; V269-Y414 HydrophobicContact CG1-CD2 3.49Å; V269-Y414 VanDerWaalsContact CG1-CD2 3.49Å; V269-Y414 HydrophobicContact CG1-CE1 4.18Å; V269-Y414 HydrophobicContact CG1-CE2 3.6Å; V269-Y414 HydrophobicContact CG1-CG 3.74Å; V269-Y414 HydrophobicContact CG2-CE2 4.08Å; M270-Y414 HydrophobicContact CG-CD1 4.01Å; M270-Y414 HydrophobicContact CG-CE1 4.15Å; M270-Y414 HydrophobicContact SD-CD1 3.74Å; M270-Y414 HydrophobicContact SD-CE1 4.43Å; I311-Y414 HydrophobicContact CD1-CD2 3.56Å; I311-Y414 HydrophobicContact CD1-CE2 3.92Å; S408-Y414 WeakPolarHBondContact OG-CA 3.34Å; S408-Y414 WeakPolarHBondContact OG-CB 3.28Å; S408-Y414 PolarHBondContact OG-N 3.23Å; S410-Y414 PolarHBondContact O-N 3.07Å; A411-Y414 PolarHBondContact O-N 2.75Å; Q412-Y414 VanDerWaalsContact C-N 3.33Å; Y414-R416 VanDerWaalsContact C-N 3.35Å; Y414-R416 PolarHBondContact O-N 2.8Å; Y414-I417 WeakPolarHBondContact O-CB 3.31Å; Y414-I417 PolarHBondContact O-N 3.18Å; Y414-R418 HydrophobicContact CE2-CB 4.48Å; Y414-R418 WeakPolarHBondContact O-CB 3.27Å; Y414-R418 PolarHBondContact O-N 3.49Å; Y414-F436 HydrophobicContact CE2-CE1 4.42Å
415	E	96.4	Very high	94.1	Very high	70 Å²	70	48.1 Å²	48.1	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-42.1	179.2	-172.3	64.5	177.9	0	0	111.8	A411 Q412 D413 I417 R418 E419	A411-E415 PolarHBondContact O-N 2.89Å; Q412-E415 PolarHBondContact O-N 2.76Å; D413-E415 VanDerWaalsContact C-N 3.28Å; D413-E415 PolarHBondContact O-N 3.39Å; E415-I417 PolarHBondContact O-N 3.29Å; E415-R418 PolarHBondContact O-N 3.17Å; E415-R418 IonicContact OE1-CZ 2.66Å; E415-R418 IonicContact OE1-NE 3.58Å; E415-R418 IonicContact OE1-NH2 2.82Å; E415-R418 PolarHBondContact OE1-NH2 2.78Å; E415-R418 IonicContact OE2-CZ 3.49Å; E415-R418 IonicContact OE2-NE 3.55Å; E415-R418 PolarHBondContact OE2-NE 3.43Å; E415-R418 IonicContact OE2-NH2 3.44Å; E415-R418 PolarHBondContact OE2-NH2 3.42Å; E415-E419 WeakPolarHBondContact O-CG 3.46Å; E415-E419 PolarHBondContact O-N 2.82Å
416	R	95.4	Very high	92.7	Very high	115 Å²	115	54 Å²	54	43%	0.434	26%	0.255	S	S	.	.	H	α-helix	trans	-59.2	-47.3	172.9	-66.6	-172.2	-70.1	143.4	-7.2	111.5	E337 Q412 D413 Y414 R418 E419 E420	E337-R416 IonicContact OE1-NH1 2.91Å; Q412-R416 WeakPolarHBondContact O-CG 3.38Å; Q412-R416 PolarHBondContact O-N 2.95Å; Q412-R416 VanDerWaalsContact O-N 3.14Å; D413-R416 WeakPolarHBondContact O-CB 3.44Å; D413-R416 PolarHBondContact O-N 3.02Å; D413-R416 IonicContact OD1-CZ 3.61Å; D413-R416 IonicContact OD1-NE 3.78Å; D413-R416 IonicContact OD1-NH2 3.99Å; D413-R416 PolarHBondContact OD1-NH2 3.1Å; D413-R416 IonicContact OD2-NH2 3.71Å; Y414-R416 VanDerWaalsContact C-N 3.35Å; Y414-R416 PolarHBondContact O-N 2.8Å; R416-R418 VanDerWaalsContact C-N 3.32Å; R416-R418 PolarHBondContact O-N 2.61Å; R416-E419 PolarHBondContact O-N 3.09Å; R416-E420 WeakPolarHBondContact O-CB 3.34Å; R416-E420 PolarHBondContact O-N 2.74Å
417	I	95.6	Very high	90.7	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-47.5	176.9	-67.4	170.7	0	0	0	110.6	Y338 Y407 D413 Y414 E415 L421	Y338-I417 HydrophobicContact CD1-CG1 3.77Å; Y338-I417 HydrophobicContact CD2-CB 4.28Å; Y338-I417 HydrophobicContact CD2-CD1 3.94Å; Y338-I417 HydrophobicContact CD2-CG1 3.51Å; Y338-I417 HydrophobicContact CD2-CG2 4.04Å; Y338-I417 HydrophobicContact CE1-CG1 3.96Å; Y338-I417 HydrophobicContact CE2-CB 4.03Å; Y338-I417 HydrophobicContact CE2-CG1 3.71Å; Y338-I417 HydrophobicContact CE2-CG2 3.7Å; Y338-I417 HydrophobicContact CG-CD1 3.91Å; Y338-I417 HydrophobicContact CG-CG1 3.53Å; Y407-I417 WeakPolarHBondContact O-CD1 3.38Å; D413-I417 WeakPolarHBondContact O-CG1 3.34Å; D413-I417 PolarHBondContact O-N 2.95Å; Y414-I417 WeakPolarHBondContact O-CB 3.31Å; Y414-I417 PolarHBondContact O-N 3.18Å; E415-I417 PolarHBondContact O-N 3.29Å; I417-L421 HydrophobicContact CG2-CD1 3.6Å; I417-L421 HydrophobicContact CG2-CG 4.27Å; I417-L421 VanDerWaalsContact O-CB 3.27Å; I417-L421 WeakPolarHBondContact O-CB 3.31Å; I417-L421 WeakPolarHBondContact O-CG 3.36Å; I417-L421 PolarHBondContact O-N 3.29Å
418	R	95.5	Very high	88.5	Confident	54 Å²	54	63.9 Å²	63.9	20%	0.204	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-46.9	-179.2	-174	-171.4	72.2	75.2	0.5	111.1	S266 Y414 E415 R416 S422 F436	S266-R418 WeakPolarHBondContact OG-CD 3.12Å; Y414-R418 HydrophobicContact CE2-CB 4.48Å; Y414-R418 WeakPolarHBondContact O-CB 3.27Å; Y414-R418 PolarHBondContact O-N 3.49Å; E415-R418 PolarHBondContact O-N 3.17Å; E415-R418 IonicContact OE1-CZ 2.66Å; E415-R418 IonicContact OE1-NE 3.58Å; E415-R418 IonicContact OE1-NH2 2.82Å; E415-R418 PolarHBondContact OE1-NH2 2.78Å; E415-R418 IonicContact OE2-CZ 3.49Å; E415-R418 IonicContact OE2-NE 3.55Å; E415-R418 PolarHBondContact OE2-NE 3.43Å; E415-R418 IonicContact OE2-NH2 3.44Å; E415-R418 PolarHBondContact OE2-NH2 3.42Å; R416-R418 VanDerWaalsContact C-N 3.32Å; R416-R418 PolarHBondContact O-N 2.61Å; R418-S422 VanDerWaalsContact O-CB 3.23Å; R418-S422 WeakPolarHBondContact O-CB 3.15Å; R418-S422 PolarHBondContact O-N 2.93Å; R418-S422 PolarHBondContact O-OG 2.77Å; R418-F436 HydrophobicContact CB-CE1 4.37Å; R418-F436 HydrophobicContact CG-CD1 3.8Å; R418-F436 HydrophobicContact CG-CE1 4Å; R418-F436 HydrophobicContact CG-CG 4.12Å; R418-F436 HydrophobicContact CG-CZ 4.48Å
419	E	93.6	Very high	86.6	Confident	92 Å²	92	65 Å²	65	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-46.9	179.5	-74.4	-178.2	-179.9	0	0	112	E415 R416 S422 K423	E415-E419 WeakPolarHBondContact O-CG 3.46Å; E415-E419 PolarHBondContact O-N 2.82Å; R416-E419 PolarHBondContact O-N 3.09Å; E419-S422 PolarHBondContact O-N 3.41Å; E419-K423 WeakPolarHBondContact O-CG 3.37Å; E419-K423 PolarHBondContact O-N 3.38Å; E419-K423 VanDerWaalsContact O-N 3.15Å
420	E	92.1	Very high	85.4	Confident	73 Å²	73	66.8 Å²	66.8	34%	0.341	34%	0.337	S	S	.	.	H	α-helix	trans	-64.5	-47.1	178.2	-78.8	-175	-156.1	0	0	111.9	Y338 R416 S422 K423 L424	Y338-E420 WeakPolarHBondContact CE1-OE2 3.42Å; Y338-E420 WeakPolarHBondContact OH-CB 3.45Å; Y338-E420 PolarHBondContact OH-OE2 3.41Å; R416-E420 WeakPolarHBondContact O-CB 3.34Å; R416-E420 PolarHBondContact O-N 2.74Å; E420-S422 VanDerWaalsContact C-N 3.29Å; E420-S422 PolarHBondContact O-N 3.41Å; E420-K423 WeakPolarHBondContact O-CB 3.49Å; E420-K423 PolarHBondContact O-N 3.1Å; E420-L424 WeakPolarHBondContact O-CG 3.1Å; E420-L424 PolarHBondContact O-N 3.01Å; E420-L424 VanDerWaalsContact O-N 3.12Å
421	L	91.9	Very high	84.5	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-35.5	177.2	-70.7	175.9	0	0	0	111.9	I333 L336 F406 I417 K423 L424 L425 F434 F436	I333-L421 HydrophobicContact CD1-CD2 4.47Å; I333-L421 HydrophobicContact CG1-CD2 4.05Å; L336-L421 HydrophobicContact CD1-CD2 3.59Å; L336-L421 HydrophobicContact CD1-CG 4.47Å; F406-L421 HydrophobicContact CD1-CD1 4.37Å; F406-L421 HydrophobicContact CD2-CD1 4.42Å; F406-L421 HydrophobicContact CE1-CD1 3.99Å; F406-L421 HydrophobicContact CE1-CD2 3.91Å; F406-L421 HydrophobicContact CE2-CD1 4.08Å; F406-L421 HydrophobicContact CZ-CD1 3.83Å; F406-L421 HydrophobicContact CZ-CD2 3.9Å; I417-L421 HydrophobicContact CG2-CD1 3.6Å; I417-L421 HydrophobicContact CG2-CG 4.27Å; I417-L421 VanDerWaalsContact O-CB 3.27Å; I417-L421 WeakPolarHBondContact O-CB 3.31Å; I417-L421 WeakPolarHBondContact O-CG 3.36Å; I417-L421 PolarHBondContact O-N 3.29Å; L421-K423 VanDerWaalsContact C-N 3.34Å; L421-K423 PolarHBondContact O-N 3.45Å; L421-L424 HydrophobicContact CD2-CD1 4.2Å; L421-L424 WeakPolarHBondContact O-CB 3.3Å; L421-L424 PolarHBondContact O-N 3.48Å; L421-L424 VanDerWaalsContact O-N 3.08Å; L421-L425 VanDerWaalsContact O-CG 3.23Å; L421-L425 WeakPolarHBondContact O-CG 3.22Å; L421-L425 PolarHBondContact O-N 3.43Å; L421-F434 HydrophobicContact CD1-CE2 4.45Å; L421-F434 HydrophobicContact CD1-CZ 4.16Å; L421-F434 HydrophobicContact CD2-CZ 4.45Å; L421-F436 HydrophobicContact CB-CE2 3.66Å; L421-F436 HydrophobicContact CB-CZ 3.92Å; L421-F436 HydrophobicContact CD1-CE2 4.32Å; L421-F436 HydrophobicContact CD1-CZ 3.8Å
422	S	90.4	Very high	84.1	Confident	35 Å²	35	74.5 Å²	74.5	25%	0.245	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-42.7	175.6	-61.1	0	0	0	0	111.2	R418 E419 E420 L424 L425 E426	R418-S422 VanDerWaalsContact O-CB 3.23Å; R418-S422 WeakPolarHBondContact O-CB 3.15Å; R418-S422 PolarHBondContact O-N 2.93Å; R418-S422 PolarHBondContact O-OG 2.77Å; E419-S422 PolarHBondContact O-N 3.41Å; E420-S422 VanDerWaalsContact C-N 3.29Å; E420-S422 PolarHBondContact O-N 3.41Å; S422-L424 VanDerWaalsContact C-N 3.27Å; S422-L424 PolarHBondContact O-N 3.39Å; S422-L425 PolarHBondContact O-N 2.77Å; S422-L425 VanDerWaalsContact O-N 3.16Å; S422-E426 PolarHBondContact O-N 2.84Å
423	K	88.5	Confident	83.9	Confident	134 Å²	134	68.5 Å²	68.5	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-62.8	-31.3	173	-65.2	165.6	-169.6	166.2	0	112.8	E419 E420 L421	E419-K423 WeakPolarHBondContact O-CG 3.37Å; E419-K423 PolarHBondContact O-N 3.38Å; E419-K423 VanDerWaalsContact O-N 3.15Å; E420-K423 WeakPolarHBondContact O-CB 3.49Å; E420-K423 PolarHBondContact O-N 3.1Å; L421-K423 VanDerWaalsContact C-N 3.34Å; L421-K423 PolarHBondContact O-N 3.45Å
424	L	84.9	Confident	83.8	Confident	28 Å²	28	67 Å²	67	15%	0.147	33%	0.332	C	S	.	.	H	α-helix	trans	-75.3	-28.3	176	-64	-169.6	0	0	0	113.3	F329 K332 I333 L336 E420 L421 S422	F329-L424 HydrophobicContact CE2-CB 4.5Å; K332-L424 HydrophobicContact CB-CD1 3.84Å; K332-L424 HydrophobicContact CB-CD2 3.98Å; K332-L424 HydrophobicContact CD-CD2 3.57Å; K332-L424 HydrophobicContact CG-CD2 4.33Å; I333-L424 HydrophobicContact CG1-CD1 4.41Å; L336-L424 HydrophobicContact CD1-CD1 3.94Å; L336-L424 HydrophobicContact CD2-CD1 4.47Å; E420-L424 WeakPolarHBondContact O-CG 3.1Å; E420-L424 PolarHBondContact O-N 3.01Å; E420-L424 VanDerWaalsContact O-N 3.12Å; L421-L424 HydrophobicContact CD2-CD1 4.2Å; L421-L424 WeakPolarHBondContact O-CB 3.3Å; L421-L424 PolarHBondContact O-N 3.48Å; L421-L424 VanDerWaalsContact O-N 3.08Å; S422-L424 VanDerWaalsContact C-N 3.27Å; S422-L424 PolarHBondContact O-N 3.39Å
425	L	80.8	Confident	83.6	Confident	33 Å²	33	69.8 Å²	69.8	17%	0.173	35%	0.349	C	S	.	.	H	α-helix	trans	-86.9	-18.3	-179.9	-67.7	167.3	0	0	0	112.8	F329 L421 S422 P432 F434 F436	F329-L425 HydrophobicContact CD2-CD2 4.36Å; F329-L425 HydrophobicContact CE2-CD2 3.43Å; F329-L425 VanDerWaalsContact CE2-CD2 3.43Å; F329-L425 HydrophobicContact CE2-CG 4.12Å; F329-L425 HydrophobicContact CZ-CD2 3.67Å; L421-L425 VanDerWaalsContact O-CG 3.23Å; L421-L425 WeakPolarHBondContact O-CG 3.22Å; L421-L425 PolarHBondContact O-N 3.43Å; S422-L425 PolarHBondContact O-N 2.77Å; S422-L425 VanDerWaalsContact O-N 3.16Å; L425-P432 HydrophobicContact CD2-CB 3.96Å; L425-F434 HydrophobicContact CD1-CD2 4.08Å; L425-F434 HydrophobicContact CD1-CE2 3.84Å; L425-F434 HydrophobicContact CD1-CZ 4.35Å; L425-F434 WeakPolarHBondContact CD1-O 3.43Å; L425-F434 WeakPolarHBondContact CD2-O 3.23Å; L425-F436 HydrophobicContact CD1-CD2 3.98Å; L425-F436 HydrophobicContact CD1-CE2 3.89Å
426	E	69.6	Low	83.5	Confident	123 Å²	123	68.2 Å²	68.2	58%	0.575	34%	0.342	S	S	*	.	S	Bend	trans	-54.7	149.6	166.9	-79.9	178.8	-161.8	0	0	111.4	S422 T428	S422-E426 PolarHBondContact O-N 2.84Å; E426-T428 VanDerWaalsContact C-N 3.31Å; E426-T428 PolarHBondContact O-N 3.3Å; E426-T428 PolarHBondContact O-OG1 2.8Å
427	P	56.4	Low	83.4	Confident	126 Å²	126	64.2 Å²	64.2	82%	0.818	33%	0.33	S	S	*	.	S	Bend	trans	-71.5	79.1	-140.8	29.3	-35.7	0	0	0	113.3
428	T	53.8	Low	83.2	Confident	102 Å²	102	70.4 Å²	70.4	63%	0.626	36%	0.359	S	S	*	.	S	Bend	trans	-95.8	-20.2	164.9	45.9	0	0	0	0	111.7	E426	E426-T428 VanDerWaalsContact C-N 3.31Å; E426-T428 PolarHBondContact O-N 3.3Å; E426-T428 PolarHBondContact O-OG1 2.8Å
429	A	58.4	Low	83.1	Confident	25 Å²	25	68 Å²	68	21%	0.207	35%	0.352	C	S	.	.	S	Bend	trans	-123	153.7	173	0	0	0	0	0	110.3	E325 Y431	E325-A429 HydrophobicContact CB-CB 4.45Å; A429-Y431 PolarHBondContact O-N 3.33Å
430	K	69.7	Low	83.1	Confident	159 Å²	159	68 Å²	68	69%	0.691	35%	0.348	S	S	*	.	S	Bend	trans	-64.9	-22.4	179.8	-166.8	174.5	177.6	178.3	0	112.5
431	Y	78.2	Confident	83	Confident	143 Å²	143	65.1 Å²	65.1	56%	0.561	34%	0.335	S	S	*	.	S	Bend	trans	-141.8	134.7	177.3	-57.5	-80.2	0	0	0	109.9	Y326 A429	Y326-Y431 WeakPolarHBondContact CE1-O 3.32Å; Y326-Y431 PolarHBondContact OH-O 3.37Å; A429-Y431 PolarHBondContact O-N 3.33Å
432	P	85.9	Confident	82.8	Confident	72 Å²	72	68.9 Å²	68.9	47%	0.468	36%	0.359	S	S	.	.			trans	-71.7	147.8	175.9	30.7	-34.9	0	0	0	111	L425 F434	L425-P432 HydrophobicContact CD2-CB 3.96Å; P432-F434 VanDerWaalsContact C-N 3.29Å; P432-F434 PolarHBondContact O-N 2.85Å
433	A	90.8	Very high	82.5	Confident	12 Å²	12	72 Å²	72	10%	0.099	37%	0.372	C	S	.	.	S	Bend	trans	-68.9	-29.1	178.1	0	0	0	0	0	113	V315 L317 Y326 F329	V315-A433 WeakPolarHBondContact CG1-O 3.26Å; L317-A433 HydrophobicContact CD2-CB 3.72Å; Y326-A433 HydrophobicContact CD1-CB 4.14Å; Y326-A433 HydrophobicContact CE1-CB 4.08Å; F329-A433 HydrophobicContact CD1-CB 3.9Å; F329-A433 HydrophobicContact CE1-CB 3.3Å; F329-A433 HydrophobicContact CZ-CB 3.8Å
434	F	94.4	Very high	82	Confident	3 Å²	3	72 Å²	72	1%	0.013	37%	0.37	C	S	.	.	S	Bend	trans	-157.4	169	172.5	61.4	-95.8	0	0	0	109	C262 V264 I313 V315 F329 I333 F404 F406 L421 L425 P432 F436	C262-F434 HydrophobicContact CB-CB 4.21Å; C262-F434 CarbonylContact O-C 3.49Å; C262-F434 WeakPolarHBondContact O-CA 3.38Å; C262-F434 WeakPolarHBondContact O-CB 3.38Å; V264-F434 HydrophobicContact CG2-CD2 4.4Å; I313-F434 HydrophobicContact CD1-CD1 4.36Å; I313-F434 HydrophobicContact CD1-CD2 3.87Å; I313-F434 HydrophobicContact CD1-CE1 4.11Å; I313-F434 HydrophobicContact CD1-CE2 3.62Å; I313-F434 HydrophobicContact CD1-CG 4.25Å; I313-F434 HydrophobicContact CD1-CZ 3.76Å; I313-F434 HydrophobicContact CG2-CB 3.8Å; I313-F434 HydrophobicContact CG2-CD1 3.94Å; I313-F434 HydrophobicContact CG2-CD2 4.31Å; I313-F434 HydrophobicContact CG2-CG 3.79Å; V315-F434 HydrophobicContact CG1-CB 4.27Å; V315-F434 HydrophobicContact CG1-CD1 4.31Å; F329-F434 HydrophobicContact CE1-CE1 4.19Å; F329-F434 HydrophobicContact CZ-CD1 4.08Å; F329-F434 AromaticContact CZ-CE1 3.55Å; F329-F434 HydrophobicContact CZ-CE1 3.55Å; F329-F434 HydrophobicContact CZ-CZ 4.24Å; I333-F434 HydrophobicContact CD1-CE1 4.11Å; F404-F434 HydrophobicContact CD2-CE1 4.43Å; F406-F434 HydrophobicContact CE2-CZ 4.43Å; L421-F434 HydrophobicContact CD1-CE2 4.45Å; L421-F434 HydrophobicContact CD1-CZ 4.16Å; L421-F434 HydrophobicContact CD2-CZ 4.45Å; L425-F434 HydrophobicContact CD1-CD2 4.08Å; L425-F434 HydrophobicContact CD1-CE2 3.84Å; L425-F434 HydrophobicContact CD1-CZ 4.35Å; L425-F434 WeakPolarHBondContact CD1-O 3.43Å; L425-F434 WeakPolarHBondContact CD2-O 3.23Å; P432-F434 VanDerWaalsContact C-N 3.29Å; P432-F434 PolarHBondContact O-N 2.85Å; F434-F436 HydrophobicContact CD2-CE2 4.33Å; F434-F436 HydrophobicContact CE2-CD2 4.43Å; F434-F436 AromaticContact CE2-CE2 3.62Å; F434-F436 HydrophobicContact CE2-CE2 3.62Å; F434-F436 AromaticContact CE2-CZ 3.85Å; F434-F436 HydrophobicContact CE2-CZ 3.85Å
435	T	93.5	Very high	81.5	Confident	60 Å²	60	76.5 Å²	76.5	37%	0.368	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.6	-174.7	158	0	0	0	0	111.6	C262 T263 V264	C262-T435 PolarHBondContact O-N 2.78Å; T263-T435 WeakPolarHBondContact CA-O 3.32Å; T263-T435 HydrophobicContact CG2-CG2 4.36Å; V264-T435 PolarHBondContact N-O 3.43Å
436	F	93.9	Very high	80.7	Confident	37 Å²	37	82.2 Å²	82.2	16%	0.162	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.4	169	-70.8	-85	0	0	0	110.1	V264 Y414 R418 L421 L425 F434	V264-F436 HydrophobicContact CB-CD1 3.65Å; V264-F436 HydrophobicContact CB-CE1 3.77Å; V264-F436 HydrophobicContact CB-CG 4.48Å; V264-F436 HydrophobicContact CG1-CD1 3.77Å; V264-F436 HydrophobicContact CG1-CE1 3.67Å; V264-F436 HydrophobicContact CG2-CD1 4.45Å; V264-F436 HydrophobicContact CG2-CE1 4.18Å; V264-F436 WeakPolarHBondContact O-CA 3.45Å; Y414-F436 HydrophobicContact CE2-CE1 4.42Å; R418-F436 HydrophobicContact CB-CE1 4.37Å; R418-F436 HydrophobicContact CG-CD1 3.8Å; R418-F436 HydrophobicContact CG-CE1 4Å; R418-F436 HydrophobicContact CG-CG 4.12Å; R418-F436 HydrophobicContact CG-CZ 4.48Å; L421-F436 HydrophobicContact CB-CE2 3.66Å; L421-F436 HydrophobicContact CB-CZ 3.92Å; L421-F436 HydrophobicContact CD1-CE2 4.32Å; L421-F436 HydrophobicContact CD1-CZ 3.8Å; L425-F436 HydrophobicContact CD1-CD2 3.98Å; L425-F436 HydrophobicContact CD1-CE2 3.89Å; F434-F436 HydrophobicContact CD2-CE2 4.33Å; F434-F436 HydrophobicContact CE2-CD2 4.43Å; F434-F436 AromaticContact CE2-CE2 3.62Å; F434-F436 HydrophobicContact CE2-CE2 3.62Å; F434-F436 AromaticContact CE2-CZ 3.85Å; F434-F436 HydrophobicContact CE2-CZ 3.85Å
437	V	94.2	Very high	79.9	Confident	32 Å²	32	81.5 Å²	81.5	19%	0.194	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.3	173.8	172.3	0	0	0	0	109.3	T263 V264 Y265 S266 G439 Y444	T263-V437 HydrophobicContact CG2-CB 4.05Å; T263-V437 HydrophobicContact CG2-CG2 3.53Å; V264-V437 PolarHBondContact O-N 3.03Å; Y265-V437 HydrophobicContact CD1-CB 3.98Å; Y265-V437 HydrophobicContact CD1-CG1 3.99Å; Y265-V437 HydrophobicContact CE1-CB 4.08Å; Y265-V437 HydrophobicContact CE1-CG1 3.99Å; S266-V437 PolarHBondContact N-O 2.98Å; V437-G439 PolarHBondContact O-N 2.96Å; V437-Y444 HydrophobicContact CG1-CE2 3.84Å
438	Q	91.3	Very high	79.7	Confident	133 Å²	133	82.4 Å²	82.4	62%	0.621	43%	0.429	S	S	*	.	S	Bend	trans	-77.4	100.1	169.7	-167.5	63.6	24.4	0	0	108.7
439	G	92.3	Very high	79.1	Confident	5 Å²	5	84.5 Å²	84.5	5%	0.052	44%	0.436	C	S	.	.	S	Bend	trans	159.7	-173	-176.6	0	0	0	0	0	111.9	Y265 L267 V437	Y265-G439 CarbonylContact C-O 3.53Å; L267-G439 WeakPolarHBondContact CB-O 3.23Å; L267-G439 PolarHBondContact N-O 3.43Å; V437-G439 PolarHBondContact O-N 2.96Å
440	R	93.3	Very high	78.5	Confident	92 Å²	92	91.4 Å²	91.4	35%	0.347	47%	0.469	S	S	.	.			trans	-104	155.1	171	-65.7	-171.7	174.3	85.7	4.8	111.1	L267 D268 D271 T442 D443 Y444	L267-R440 HydrophobicContact CB-CG 3.72Å; L267-R440 HydrophobicContact CD1-CG 4.26Å; D268-R440 VanDerWaalsContact OD1-CA 3.25Å; D268-R440 WeakPolarHBondContact OD1-CA 3.2Å; D268-R440 VanDerWaalsContact OD1-CB 3.27Å; D268-R440 WeakPolarHBondContact OD1-CB 3.4Å; D268-R440 WeakPolarHBondContact OD1-CG 3.47Å; D271-R440 IonicContact OD1-NH2 3.62Å; D271-R440 IonicContact OD2-CZ 3.53Å; D271-R440 IonicContact OD2-NE 2.76Å; D271-R440 PolarHBondContact OD2-NE 3.49Å; D271-R440 IonicContact OD2-NH2 3.69Å; D271-R440 PolarHBondContact OD2-NH2 2.76Å; R440-T442 PolarHBondContact O-N 2.95Å; R440-D443 PolarHBondContact N-OD2 3.39Å; R440-D443 WeakPolarHBondContact O-CB 3.26Å; R440-D443 PolarHBondContact O-N 3.3Å; R440-Y444 WeakPolarHBondContact O-CD2 3.23Å
441	S	91.1	Very high	76.9	Confident	12 Å²	12	88.3 Å²	88.3	8%	0.084	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-59.8	-36.9	174.1	71.6	0	0	0	0	112.2	Q260 D268 D443 Y444 E445	Q260-S441 PolarHBondContact NE2-OG 3.46Å; D268-S441 PolarHBondContact OD1-N 3.4Å; D268-S441 VanDerWaalsContact OD2-CB 3.31Å; D268-S441 WeakPolarHBondContact OD2-CB 3.3Å; D268-S441 PolarHBondContact OD2-N 3.27Å; D268-S441 PolarHBondContact OD2-OG 3.31Å; S441-D443 PolarHBondContact O-N 3.32Å; S441-D443 VanDerWaalsContact O-N 3.17Å; S441-Y444 PolarHBondContact O-N 3.18Å; S441-E445 PolarHBondContact O-N 3.15Å
442	T	87.8	Confident	75.3	Confident	81 Å²	81	86.8 Å²	86.8	50%	0.497	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-61.4	-24.2	-179.4	53.8	0	0	0	0	113.5	R440 Y444 E445	R440-T442 PolarHBondContact O-N 2.95Å; T442-Y444 PolarHBondContact O-N 2.85Å; T442-E445 PolarHBondContact O-N 3.04Å
443	D	84.3	Confident	73.1	Confident	100 Å²	100	91.8 Å²	91.8	54%	0.535	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-69.7	-15.6	178.6	-55.8	-25.9	0	0	0	111.6	R440 S441	R440-D443 PolarHBondContact N-OD2 3.39Å; R440-D443 WeakPolarHBondContact O-CB 3.26Å; R440-D443 PolarHBondContact O-N 3.3Å; S441-D443 PolarHBondContact O-N 3.32Å; S441-D443 VanDerWaalsContact O-N 3.17Å
444	Y	78.6	Confident	70.6	Confident	134 Å²	134	100.8 Å²	100.8	53%	0.525	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-119.2	3.5	-176.2	-60.3	-90	0	0	0	113.2	Y265 V437 R440 S441 T442 L446	Y265-Y444 HydrophobicContact CD1-CD2 4.27Å; Y265-Y444 HydrophobicContact CD1-CE2 4.34Å; Y265-Y444 AromaticContact CE1-CD2 3.43Å; Y265-Y444 HydrophobicContact CE1-CD2 3.43Å; Y265-Y444 VanDerWaalsContact CE1-CD2 3.43Å; Y265-Y444 AromaticContact CE1-CE2 3.76Å; Y265-Y444 HydrophobicContact CE1-CE2 3.76Å; Y265-Y444 HydrophobicContact CE1-CG 4.22Å; V437-Y444 HydrophobicContact CG1-CE2 3.84Å; R440-Y444 WeakPolarHBondContact O-CD2 3.23Å; S441-Y444 PolarHBondContact O-N 3.18Å; T442-Y444 PolarHBondContact O-N 2.85Å; Y444-L446 PolarHBondContact O-N 3.43Å
445	E	74.4	Confident	68	Low	122 Å²	122	111.8 Å²	111.8	57%	0.57	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-69.4	121.6	172.1	-73	-178.6	-169.8	0	0	109.7	S441 T442	S441-E445 PolarHBondContact O-N 3.15Å; T442-E445 PolarHBondContact O-N 3.04Å
446	L	63.3	Low	64.9	Low	154 Å²	154	116 Å²	116	81%	0.806	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-64.1	134.4	173.9	-71.4	171	0	0	0	109.2	Y444 V448	Y444-L446 PolarHBondContact O-N 3.43Å; L446-V448 PolarHBondContact O-N 3.44Å
447	P	52.1	Low	62	Low	107 Å²	107	124.2 Å²	124.2	70%	0.695	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-53.9	126.1	175.7	-24.1	32.1	0	0	0	110.7	D449	P447-D449 PolarHBondContact O-N 3.42Å
448	V	52.2	Low	58.8	Low	146 Å²	146	130.4 Å²	130.4	89%	0.885	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-3.4	-177	177.6	0	0	0	0	112.9	L446 L450	L446-V448 PolarHBondContact O-N 3.44Å; V448-L450 PolarHBondContact O-N 2.9Å
449	D	42	Very low	56	Low	146 Å²	146	132.3 Å²	132.3	78%	0.781	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	16.2	-170.3	-126.4	1.2	0	0	0	116	P447 S451	P447-D449 PolarHBondContact O-N 3.42Å; D449-S451 PolarHBondContact O-N 2.98Å
450	L	44.7	Very low	53.1	Low	169 Å²	169	137.6 Å²	137.6	89%	0.885	69%	0.692	S	S	*	*	S	Bend	trans	-82.9	77.3	159.8	-70.5	172.2	0	0	0	108.8	V448	V448-L450 PolarHBondContact O-N 2.9Å
451	S	37.3	Very low	50.3	Low	95 Å²	95	144.9 Å²	144.9	66%	0.664	72%	0.719	S	S	*	*			trans	-47.6	153.8	175	55.9	0	0	0	0	113.4	D449 E453	D449-S451 PolarHBondContact O-N 2.98Å; S451-E453 PolarHBondContact O-N 2.83Å
452	A	44	Very low	47.5	Very low	110 Å²	110	151.9 Å²	151.9	91%	0.909	76%	0.755	S	S	*	*	S	Bend	trans	-64.9	32.4	-167.9	0	0	0	0	0	117.3
453	E	40.5	Very low	44.9	Very low	177 Å²	177	152.2 Å²	152.2	83%	0.827	77%	0.767	S	S	*	*	S	Bend	trans	-118.5	121.9	173.6	-69.4	-167.1	161.1	0	0	111.1	S451	S451-E453 PolarHBondContact O-N 2.83Å
454	K	37.9	Very low	42.5	Very low	201 Å²	201	159.3 Å²	159.3	87%	0.874	79%	0.786	S	S	*	*			trans	81.2	59.5	-176.6	-61.8	-177.3	174.9	177.7	0	117.1	E456	K454-E456 PolarHBondContact O-N 3.25Å
455	R	38.8	Very low	40.2	Very low	235 Å²	235	164.9 Å²	164.9	89%	0.887	81%	0.806	S	S	*	*			trans	-86.2	66.2	139	-76.6	-176.5	179.7	172.7	1.2	110
456	E	28.5	Very low	38.1	Very low	149 Å²	149	165 Å²	165	70%	0.696	82%	0.815	S	S	*	*			trans	-100	92.1	154.6	-86	-167.7	159.2	0	0	107.5	K454 H458	K454-E456 PolarHBondContact O-N 3.25Å; E456-H458 PolarHBondContact O-N 2.85Å; E456-H458 VanDerWaalsContact O-N 3.17Å; E456-H458 IonicContact OE2-CE1 3.32Å
457	W	33	Very low	36.4	Very low	208 Å²	208	166.5 Å²	166.5	79%	0.788	82%	0.815	S	S	*	*			trans	-70	105.4	158.8	-67.3	95.3	0	0	0	106.4	F459	W457-F459 HydrophobicContact CB-CD2 4.09Å; W457-F459 HydrophobicContact CB-CE2 3.77Å; W457-F459 WeakPolarHBondContact O-CD2 3.49Å; W457-F459 PolarHBondContact O-N 3.19Å
458	H	28.1	Very low	35.5	Very low	163 Å²	163	166.6 Å²	166.6	76%	0.755	81%	0.814	S	S	*	*			trans	-65.8	84.9	170.6	-71	-65.3	0	0	0	109	E456 P460	E456-H458 PolarHBondContact O-N 2.85Å; E456-H458 VanDerWaalsContact O-N 3.17Å; E456-H458 IonicContact OE2-CE1 3.32Å; H458-P460 WeakPolarHBondContact O-CD 3.2Å
459	F	31.4	Very low	34.4	Very low	173 Å²	173	166 Å²	166	76%	0.759	81%	0.811	S	S	*	*			trans	-69.7	120.5	157.4	-70.1	-81.2	0	0	0	107.1	W457 R461	W457-F459 HydrophobicContact CB-CD2 4.09Å; W457-F459 HydrophobicContact CB-CE2 3.77Å; W457-F459 WeakPolarHBondContact O-CD2 3.49Å; W457-F459 PolarHBondContact O-N 3.19Å; F459-R461 PolarHBondContact O-N 2.91Å
460	P	32.7	Very low	33.9	Very low	116 Å²	116	165 Å²	165	75%	0.753	82%	0.815	S	S	*	*			trans	-59	109.9	167.7	-18.9	31.7	0	0	0	108	H458 D462	H458-P460 WeakPolarHBondContact O-CD 3.2Å; P460-D462 VanDerWaalsContact C-N 3.34Å; P460-D462 PolarHBondContact O-N 3.22Å; P460-D462 VanDerWaalsContact O-N 3.07Å
461	R	33.4	Very low	33.2	Very low	244 Å²	244	160.3 Å²	160.3	92%	0.921	81%	0.809	S	S	*	*			trans	-72.4	93.7	166.8	-84.3	-176.8	173.4	-176.6	-0.2	107.2	F459 A463	F459-R461 PolarHBondContact O-N 2.91Å; R461-A463 PolarHBondContact O-N 3.36Å
462	D	32.4	Very low	33	Very low	159 Å²	159	162.4 Å²	162.4	85%	0.85	81%	0.812	S	S	*	*			trans	-77.7	121.1	167.5	-99.9	-31	0	0	0	110.6	P460	P460-D462 VanDerWaalsContact C-N 3.34Å; P460-D462 PolarHBondContact O-N 3.22Å; P460-D462 VanDerWaalsContact O-N 3.07Å
463	A	32.6	Very low	32.2	Very low	89 Å²	89	166.7 Å²	166.7	74%	0.736	81%	0.811	S	S	*	*			trans	-67.3	144.7	177.4	0	0	0	0	0	110.7	R461 R465	R461-A463 PolarHBondContact O-N 3.36Å; A463-R465 PolarHBondContact O-N 3.43Å
464	R	33.9	Very low	31.9	Very low	248 Å²	248	164.7 Å²	164.7	94%	0.936	81%	0.81	S	S	*	*			trans	-42.8	119.9	169.6	-65.8	175.9	-174.1	-177.9	0.8	111.5
465	R	30.5	Very low	31.4	Very low	251 Å²	251	162.6 Å²	162.6	95%	0.947	81%	0.808	S	S	*	*			trans	-138.7	128	148.4	-91.3	-173.9	175.7	171.9	-0.9	110.3	A463	A463-R465 PolarHBondContact O-N 3.43Å
466	T	29.9	Very low	31.2	Very low	124 Å²	124	162.6 Å²	162.6	76%	0.761	82%	0.824	S	S	*	*			trans	-80.9	157.1	177	40.9	0	0	0	0	112.5
467	F	28.5	Very low	31.4	Very low	186 Å²	186	163.3 Å²	163.3	82%	0.816	83%	0.83	S	S	*	*			trans	98.1	105.4	160.3	-80.2	-84.7	0	0	0	120.4
468	T	32.3	Very low	31.3	Very low	109 Å²	109	160.9 Å²	160.9	67%	0.669	83%	0.833	S	S	*	*			trans	34.4	123.8	131	65.9	0	0	0	0	120.4
469	T	29.7	Very low	31.5	Very low	133 Å²	133	160.8 Å²	160.8	82%	0.816	84%	0.837	S	S	*	*				179.9	145.1	101.6	29.6	0	0	0	0	111.3
470	S	31.9	Very low	31.5	Very low	125 Å²	125	160.1 Å²	160.1	87%	0.874	84%	0.842	S	S	*	*			trans	12	133	158.5	-51.5	0	0	0	0	121.4
471	G	29.4	Very low	31.4	Very low	72 Å²	72	162.8 Å²	162.8	74%	0.742	85%	0.847	S	S	*	*			trans	162.2	116.1	154.1	0	0	0	0	0	111.7
472	D	33.6	Very low	31.2	Very low	138 Å²	138	157.4 Å²	157.4	74%	0.738	84%	0.842	S	S	*	*			trans	-40.5	149.6	163.8	-59.6	-56	0	0	0	110.9
473	F	27.4	Very low	31.2	Very low	200 Å²	200	157.3 Å²	157.3	88%	0.877	84%	0.842	S	S	*	*				-163.7	147.2	80.6	-70.3	-76.1	0	0	0	111.4
474	V	33.8	Very low	31.1	Very low	135 Å²	135	162.5 Å²	162.5	82%	0.818	85%	0.85	S	S	*	*			trans	-95.8	133.9	159.4	173.1	0	0	0	0	107.6
475	L	26.5	Very low	30.8	Very low	158 Å²	158	155.4 Å²	155.4	83%	0.827	84%	0.843	S	S	*	*			trans	-141.7	107.9	156.4	-90	170.1	0	0	0	111
476	L	36.2	Very low	30.8	Very low	234 Å²	234	146.7 Å²	146.7	100%	1.225	83%	0.833	S	S	*	*			trans	30.9	0	148.2	-64.5	168	0	0	0	120.3

Retrieved 476 of 476 residues in 739 ms (Link to these results)

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