A0A087Y2A9_POEFO Loading...

Ectodermal-neural cortex 1

AlphaFold DB , UniProt , Accession A0A087Y2A9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 736 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	34.5	Very low	198 Å²	198	110.9 Å²	110.9	98%	0.975	59%	0.59	S	S	*	*				0	-54.1	0	-141.9	169.2	164.4	0	0	112.5	I3 V4 L5	M1-I3 PolarHBondContact O-N 3.16Å; M1-V4 WeakPolarHBondContact O-CB 3.32Å; M1-V4 PolarHBondContact O-N 3.37Å; M1-L5 HydrophobicContact CG-CD1 4.35Å; M1-L5 PolarHBondContact O-N 3.21Å; M1-L5 VanDerWaalsContact O-N 3.11Å
2	A	28.8	Very low	34.4	Very low	77 Å²	77	113.3 Å²	113.3	64%	0.636	60%	0.595	S	S	*	*	H	α-helix	trans	-50.2	-43.4	-178.1	0	0	0	0	0	115.7	V4 L5 L6	A2-V4 VanDerWaalsContact C-N 3.29Å; A2-V4 PolarHBondContact O-N 2.61Å; A2-L5 WeakPolarHBondContact O-CB 3.48Å; A2-L5 PolarHBondContact O-N 3.14Å; A2-L6 PolarHBondContact O-N 3.07Å
3	I	35.8	Very low	34.6	Very low	134 Å²	134	113.5 Å²	113.5	69%	0.687	59%	0.591	S	S	*	*	H	α-helix	trans	-63.1	-34.5	177.4	-63.9	169.1	0	0	0	112.1	M1 L6 L7	M1-I3 PolarHBondContact O-N 3.16Å; I3-L6 PolarHBondContact O-N 3.03Å; I3-L7 HydrophobicContact CG2-CD1 4Å; I3-L7 WeakPolarHBondContact O-CB 3.33Å; I3-L7 VanDerWaalsContact O-CG 3.31Å; I3-L7 WeakPolarHBondContact O-CG 3.31Å; I3-L7 PolarHBondContact O-N 3.09Å
4	V	32.9	Very low	34.8	Very low	93 Å²	93	111.1 Å²	111.1	56%	0.564	58%	0.584	S	S	*	*	H	α-helix	trans	-72.5	-38.6	177	-178.6	0	0	0	0	110.4	M1 A2 L7 C8	M1-V4 WeakPolarHBondContact O-CB 3.32Å; M1-V4 PolarHBondContact O-N 3.37Å; A2-V4 VanDerWaalsContact C-N 3.29Å; A2-V4 PolarHBondContact O-N 2.61Å; V4-L7 PolarHBondContact O-N 2.89Å; V4-C8 WeakPolarHBondContact O-CB 3.2Å; V4-C8 PolarHBondContact O-N 2.77Å; V4-C8 PolarHBondContact O-SG 3.02Å; V4-C8 VanDerWaalsContact O-SG 3.33Å
5	L	31.8	Very low	35	Very low	96 Å²	96	107.7 Å²	107.7	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-61.4	-45.9	170.3	-96.3	124.8	0	0	0	111.8	M1 A2 L7 C8 I9	M1-L5 HydrophobicContact CG-CD1 4.35Å; M1-L5 PolarHBondContact O-N 3.21Å; M1-L5 VanDerWaalsContact O-N 3.11Å; A2-L5 WeakPolarHBondContact O-CB 3.48Å; A2-L5 PolarHBondContact O-N 3.14Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.2Å; L5-C8 PolarHBondContact O-N 3.44Å; L5-I9 HydrophobicContact CD2-CD1 4.46Å; L5-I9 WeakPolarHBondContact O-CB 3.46Å; L5-I9 WeakPolarHBondContact O-CD1 3.41Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 2.78Å
6	L	34	Very low	34.9	Very low	121 Å²	121	103.9 Å²	103.9	63%	0.634	56%	0.558	S	S	*	*	H	α-helix	trans	-60.5	-41.4	177.6	-133.6	81.1	0	0	0	112	A2 I3 T10	A2-L6 PolarHBondContact O-N 3.07Å; I3-L6 PolarHBondContact O-N 3.03Å; L6-T10 WeakPolarHBondContact O-CB 3.38Å; L6-T10 WeakPolarHBondContact O-CG2 3.48Å; L6-T10 PolarHBondContact O-N 2.84Å; L6-T10 PolarHBondContact O-OG1 3.37Å
7	L	35.8	Very low	35	Very low	112 Å²	112	102.9 Å²	102.9	59%	0.586	56%	0.556	S	S	*	*	H	α-helix	trans	-69.7	-36.1	176	-73.6	167.3	0	0	0	112.7	I3 V4 L5 T10 W11	I3-L7 HydrophobicContact CG2-CD1 4Å; I3-L7 WeakPolarHBondContact O-CB 3.33Å; I3-L7 VanDerWaalsContact O-CG 3.31Å; I3-L7 WeakPolarHBondContact O-CG 3.31Å; I3-L7 PolarHBondContact O-N 3.09Å; V4-L7 PolarHBondContact O-N 2.89Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.2Å; L7-T10 WeakPolarHBondContact CA-OG1 3.39Å; L7-T10 PolarHBondContact O-OG1 3.47Å; L7-W11 WeakPolarHBondContact O-CB 3.42Å; L7-W11 PolarHBondContact O-N 2.92Å
8	C	33.3	Very low	34.9	Very low	63 Å²	63	102.9 Å²	102.9	43%	0.426	56%	0.555	S	S	.	*	H	α-helix	trans	-70.1	-40	174.1	-75.4	0	0	0	0	112.5	V4 L5 W11 Q12	V4-C8 WeakPolarHBondContact O-CB 3.2Å; V4-C8 PolarHBondContact O-N 2.77Å; V4-C8 PolarHBondContact O-SG 3.02Å; V4-C8 VanDerWaalsContact O-SG 3.33Å; L5-C8 PolarHBondContact O-N 3.44Å; C8-W11 PolarHBondContact O-N 2.85Å; C8-Q12 WeakPolarHBondContact O-CB 3.39Å; C8-Q12 WeakPolarHBondContact O-CG 3.22Å; C8-Q12 PolarHBondContact O-N 2.9Å
9	I	37.9	Very low	34.7	Very low	75 Å²	75	106.6 Å²	106.6	39%	0.385	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-53.6	177	-69	162.5	0	0	0	109.7	L5 W11 Q12 E13	L5-I9 HydrophobicContact CD2-CD1 4.46Å; L5-I9 WeakPolarHBondContact O-CB 3.46Å; L5-I9 WeakPolarHBondContact O-CD1 3.41Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 2.78Å; I9-W11 VanDerWaalsContact C-N 3.27Å; I9-W11 PolarHBondContact O-N 2.79Å; I9-Q12 PolarHBondContact O-N 2.94Å; I9-Q12 VanDerWaalsContact O-N 3.09Å; I9-E13 HydrophobicContact CG2-CG 4.41Å; I9-E13 WeakPolarHBondContact O-CG 3.11Å; I9-E13 PolarHBondContact O-N 2.86Å
10	T	37	Very low	34.5	Very low	63 Å²	63	106.9 Å²	106.9	39%	0.387	56%	0.562	S	S	.	*	H	α-helix	trans	-61.1	-34	178.1	50	0	0	0	0	112.7	L6 L7 T14	L6-T10 WeakPolarHBondContact O-CB 3.38Å; L6-T10 WeakPolarHBondContact O-CG2 3.48Å; L6-T10 PolarHBondContact O-N 2.84Å; L6-T10 PolarHBondContact O-OG1 3.37Å; L7-T10 WeakPolarHBondContact CA-OG1 3.39Å; L7-T10 PolarHBondContact O-OG1 3.47Å; T10-T14 WeakPolarHBondContact O-CB 3.36Å; T10-T14 PolarHBondContact O-N 2.91Å; T10-T14 PolarHBondContact O-OG1 2.64Å
11	W	37.4	Very low	34.6	Very low	188 Å²	188	106.6 Å²	106.6	71%	0.712	56%	0.561	S	S	*	*	H	α-helix	trans	-69.9	-41.9	173.4	-170.9	48.4	0	0	0	112.4	L7 C8 I9 T14 V15	L7-W11 WeakPolarHBondContact O-CB 3.42Å; L7-W11 PolarHBondContact O-N 2.92Å; C8-W11 PolarHBondContact O-N 2.85Å; I9-W11 VanDerWaalsContact C-N 3.27Å; I9-W11 PolarHBondContact O-N 2.79Å; W11-T14 PolarHBondContact O-N 3.5Å; W11-V15 WeakPolarHBondContact O-CB 3.42Å; W11-V15 VanDerWaalsContact O-CG2 3.27Å; W11-V15 WeakPolarHBondContact O-CG2 3.47Å; W11-V15 PolarHBondContact O-N 2.97Å
12	Q	33.8	Very low	34.5	Very low	139 Å²	139	103.9 Å²	103.9	65%	0.65	55%	0.547	S	S	*	.	H	α-helix	trans	-64	-42.8	174.7	-80.5	-172.6	-32.8	0	0	112.3	C8 I9 V15 A16	C8-Q12 WeakPolarHBondContact O-CB 3.39Å; C8-Q12 WeakPolarHBondContact O-CG 3.22Å; C8-Q12 PolarHBondContact O-N 2.9Å; I9-Q12 PolarHBondContact O-N 2.94Å; I9-Q12 VanDerWaalsContact O-N 3.09Å; Q12-V15 PolarHBondContact O-N 2.99Å; Q12-A16 WeakPolarHBondContact O-CB 3.46Å; Q12-A16 PolarHBondContact O-N 2.74Å
13	E	36.7	Very low	34.7	Very low	116 Å²	116	106.6 Å²	106.6	54%	0.542	55%	0.547	S	S	.	.	H	α-helix	trans	-62.1	-45.1	175.2	-72	175.1	162.3	0	0	111.5	I9 V15 A16 V17	I9-E13 HydrophobicContact CG2-CG 4.41Å; I9-E13 WeakPolarHBondContact O-CG 3.11Å; I9-E13 PolarHBondContact O-N 2.86Å; E13-V15 VanDerWaalsContact C-N 3.33Å; E13-V15 PolarHBondContact O-N 3.43Å; E13-A16 PolarHBondContact O-N 3.43Å; E13-V17 WeakPolarHBondContact O-CG2 3.25Å; E13-V17 PolarHBondContact O-N 3.35Å
14	T	37.7	Very low	34.7	Very low	81 Å²	81	104.6 Å²	104.6	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-62.6	-40	177.1	-53.8	0	0	0	0	111.5	T10 W11 L18	T10-T14 WeakPolarHBondContact O-CB 3.36Å; T10-T14 PolarHBondContact O-N 2.91Å; T10-T14 PolarHBondContact O-OG1 2.64Å; W11-T14 PolarHBondContact O-N 3.5Å; T14-L18 HydrophobicContact CG2-CD1 4.25Å; T14-L18 WeakPolarHBondContact O-CB 3.43Å; T14-L18 WeakPolarHBondContact O-CG 3.45Å; T14-L18 PolarHBondContact O-N 3.26Å
15	V	37.1	Very low	34.8	Very low	59 Å²	59	104 Å²	104	36%	0.358	55%	0.546	S	S	.	.	H	α-helix	trans	-70.4	-35.2	176.2	170.9	0	0	0	0	111.9	W11 Q12 E13 L18 R19	W11-V15 WeakPolarHBondContact O-CB 3.42Å; W11-V15 VanDerWaalsContact O-CG2 3.27Å; W11-V15 WeakPolarHBondContact O-CG2 3.47Å; W11-V15 PolarHBondContact O-N 2.97Å; Q12-V15 PolarHBondContact O-N 2.99Å; E13-V15 VanDerWaalsContact C-N 3.33Å; E13-V15 PolarHBondContact O-N 3.43Å; V15-L18 PolarHBondContact O-N 3.29Å; V15-R19 PolarHBondContact O-N 2.99Å
16	A	34.3	Very low	34.7	Very low	47 Å²	47	104.6 Å²	104.6	39%	0.388	56%	0.557	S	S	.	*	H	α-helix	trans	-66.4	-44.8	174.9	0	0	0	0	0	111.8	Q12 E13 L18 R19 L20	Q12-A16 WeakPolarHBondContact O-CB 3.46Å; Q12-A16 PolarHBondContact O-N 2.74Å; E13-A16 PolarHBondContact O-N 3.43Å; A16-L18 VanDerWaalsContact C-N 3.32Å; A16-L18 PolarHBondContact O-N 3.39Å; A16-R19 PolarHBondContact O-N 3.22Å; A16-L20 WeakPolarHBondContact O-CD1 3.48Å; A16-L20 PolarHBondContact O-N 2.83Å
17	V	36.1	Very low	34.6	Very low	87 Å²	87	106.9 Å²	106.9	53%	0.527	56%	0.564	S	S	.	*	H	α-helix	trans	-63.1	-37.3	175.2	171.7	0	0	0	0	111.5	E13 N21	E13-V17 WeakPolarHBondContact O-CG2 3.25Å; E13-V17 PolarHBondContact O-N 3.35Å; V17-N21 WeakPolarHBondContact O-CB 3.43Å; V17-N21 PolarHBondContact O-N 3.3Å; V17-N21 VanDerWaalsContact O-N 3.17Å; V17-N21 PolarHBondContact O-ND2 3.07Å
18	L	33.9	Very low	34.2	Very low	103 Å²	103	112 Å²	112	54%	0.539	58%	0.576	S	S	.	*	H	α-helix	trans	-68.3	-36.2	174	-77.2	165	0	0	0	112.7	T14 V15 A16 M22	T14-L18 HydrophobicContact CG2-CD1 4.25Å; T14-L18 WeakPolarHBondContact O-CB 3.43Å; T14-L18 WeakPolarHBondContact O-CG 3.45Å; T14-L18 PolarHBondContact O-N 3.26Å; V15-L18 PolarHBondContact O-N 3.29Å; A16-L18 VanDerWaalsContact C-N 3.32Å; A16-L18 PolarHBondContact O-N 3.39Å; L18-M22 PolarHBondContact O-N 3.05Å
19	R	30.2	Very low	33.9	Very low	174 Å²	174	118 Å²	118	66%	0.657	60%	0.597	S	S	*	*	H	α-helix	trans	-68.2	-46.6	173.8	-79.6	-173.5	175.7	-170.9	-0.7	112.8	V15 A16 N21 M22 E23	V15-R19 PolarHBondContact O-N 2.99Å; A16-R19 PolarHBondContact O-N 3.22Å; R19-N21 VanDerWaalsContact C-N 3.29Å; R19-N21 PolarHBondContact O-N 2.96Å; R19-M22 PolarHBondContact O-N 2.98Å; R19-E23 PolarHBondContact O-N 3.32Å
20	L	32.2	Very low	33.5	Very low	112 Å²	112	120.4 Å²	120.4	59%	0.586	62%	0.618	S	S	*	*	H	α-helix	trans	-58.9	-39.8	177.1	-99.3	107.5	0	0	0	112.3	A16 M22 E23 T24	A16-L20 WeakPolarHBondContact O-CD1 3.48Å; A16-L20 PolarHBondContact O-N 2.83Å; L20-M22 VanDerWaalsContact C-N 3.35Å; L20-E23 PolarHBondContact O-N 3.49Å; L20-T24 WeakPolarHBondContact O-CG2 3.45Å; L20-T24 PolarHBondContact O-N 2.96Å; L20-T24 PolarHBondContact O-OG1 3.04Å
21	N	35.1	Very low	32.9	Very low	101 Å²	101	121 Å²	121	54%	0.54	64%	0.636	S	S	.	*	H	α-helix	trans	-68.7	-30.7	176.2	-77.3	-53.7	0	0	0	112.9	V17 R19 T24 A25	V17-N21 WeakPolarHBondContact O-CB 3.43Å; V17-N21 PolarHBondContact O-N 3.3Å; V17-N21 VanDerWaalsContact O-N 3.17Å; V17-N21 PolarHBondContact O-ND2 3.07Å; R19-N21 VanDerWaalsContact C-N 3.29Å; R19-N21 PolarHBondContact O-N 2.96Å; N21-T24 PolarHBondContact O-OG1 3.38Å; N21-A25 PolarHBondContact O-N 3.09Å
22	M	33.4	Very low	33	Very low	141 Å²	141	118 Å²	118	70%	0.695	64%	0.64	S	S	*	*	H	α-helix	trans	-72.5	-42.6	172	-75.3	-168.9	178.8	0	0	112.4	L18 R19 L20 A25 C26	L18-M22 PolarHBondContact O-N 3.05Å; R19-M22 PolarHBondContact O-N 2.98Å; L20-M22 VanDerWaalsContact C-N 3.35Å; M22-A25 PolarHBondContact O-N 2.88Å; M22-C26 PolarHBondContact O-N 3.33Å
23	E	33.1	Very low	32.5	Very low	133 Å²	133	120 Å²	120	62%	0.621	66%	0.655	S	S	*	*	H	α-helix	trans	-67.8	-37.1	-179.5	-72.8	177.1	172.5	0	0	112.3	R19 L20 A25 C26	R19-E23 PolarHBondContact O-N 3.32Å; L20-E23 PolarHBondContact O-N 3.49Å; E23-A25 VanDerWaalsContact C-N 3.29Å; E23-A25 PolarHBondContact O-N 2.78Å; E23-C26 PolarHBondContact O-N 3.11Å
24	T	34.7	Very low	32	Very low	92 Å²	92	118.7 Å²	118.7	56%	0.564	66%	0.664	S	S	*	*	H	α-helix	trans	-68.8	-24.3	174.2	50.2	0	0	0	0	113.9	L20 N21	L20-T24 WeakPolarHBondContact O-CG2 3.45Å; L20-T24 PolarHBondContact O-N 2.96Å; L20-T24 PolarHBondContact O-OG1 3.04Å; N21-T24 PolarHBondContact O-OG1 3.38Å
25	A	34.9	Very low	31.4	Very low	82 Å²	82	120.8 Å²	120.8	68%	0.678	68%	0.676	S	S	*	*	H	α-helix	trans	-76.1	-24.4	175.8	0	0	0	0	0	113.5	N21 M22 E23	N21-A25 PolarHBondContact O-N 3.09Å; M22-A25 PolarHBondContact O-N 2.88Å; E23-A25 VanDerWaalsContact C-N 3.29Å; E23-A25 PolarHBondContact O-N 2.78Å
26	C	30.7	Very low	30.7	Very low	108 Å²	108	124.6 Å²	124.6	73%	0.73	70%	0.695	S	S	*	*	H	α-helix	trans	-88.2	-9.9	-178.2	-76.7	0	0	0	0	115.2	M22 E23	M22-C26 PolarHBondContact O-N 3.33Å; E23-C26 PolarHBondContact O-N 3.11Å
27	H	31	Very low	30.3	Very low	169 Å²	169	128.7 Å²	128.7	78%	0.782	72%	0.715	S	S	*	*	S	Bend	trans	-109.6	25.4	-171.6	-89.1	-61	0	0	0	116.2
28	R	27.7	Very low	30	Very low	219 Å²	219	130.2 Å²	130.2	83%	0.826	73%	0.727	S	S	*	*			trans	-125.1	79.8	169.1	-71.1	-170.7	-179.1	-172.4	2.1	112.7
29	H	27.4	Very low	29.6	Very low	190 Å²	190	132.9 Å²	132.9	88%	0.88	74%	0.74	S	S	*	*			trans	179.1	117.4	137.6	-95	-59.5	0	0	0	111.8
30	P	28.2	Very low	29.2	Very low	125 Å²	125	130.7 Å²	130.7	81%	0.812	74%	0.741	S	S	*	*			trans	-116.5	141.6	142.5	33.2	-24.1	0	0	0	110.5
31	G	25.7	Very low	28.8	Very low	74 Å²	74	133.5 Å²	133.5	76%	0.763	75%	0.749	S	S	*	*			trans	-85.4	-158	167.8	0	0	0	0	0	111.8
32	P	38.3	Very low	28.3	Very low	125 Å²	125	134.2 Å²	134.2	81%	0.812	76%	0.762	S	S	*	*			cis	-134.2	179.2	-1.1	41.9	-26.2	0	0	0	114.2
33	L	24.5	Very low	27.9	Very low	181 Å²	181	130.4 Å²	130.4	95%	0.948	76%	0.759	S	S	*	*			trans	-157.8	153.7	145.6	-109	168.7	0	0	0	109.9
34	A	24.9	Very low	27.5	Very low	89 Å²	89	130.3 Å²	130.3	74%	0.736	77%	0.773	S	S	*	*			trans	-102.2	164.4	-161.9	0	0	0	0	0	114.6
35	V	25.6	Very low	27.2	Very low	125 Å²	125	130.9 Å²	130.9	76%	0.758	79%	0.787	S	S	*	*				176.1	133.6	122.6	151.6	0	0	0	0	111.1
36	N	23.5	Very low	26.7	Very low	140 Å²	140	130.9 Å²	130.9	75%	0.749	80%	0.795	S	S	*	*			trans	6.8	139	155.6	-43.9	-24.2	0	0	0	118.9
37	T	24.3	Very low	26.5	Very low	133 Å²	133	129.9 Å²	129.9	82%	0.816	80%	0.803	S	S	*	*			cis	-161.8	161.8	49.8	36.5	0	0	0	0	113.2
38	P	31.5	Very low	26.3	Very low	118 Å²	118	125.8 Å²	125.8	77%	0.766	81%	0.807	S	S	*	*			trans	-103.5	167.5	-178.4	40.6	-34.9	0	0	0	115.1
39	I	24.6	Very low	26.3	Very low	159 Å²	159	120.2 Å²	120.2	82%	0.815	81%	0.808	S	S	*	*			trans	178.8	115	151.4	-91.7	146.8	0	0	0	105.7
40	D	22.5	Very low	26.4	Very low	128 Å²	128	118.4 Å²	118.4	68%	0.684	81%	0.81	S	S	*	*				64.1	140.6	78.5	-84.5	-14.1	0	0	0	114.2
41	F	23.6	Very low	26.5	Very low	171 Å²	171	122.2 Å²	122.2	75%	0.75	81%	0.814	S	S	*	*			cis	-159.5	158.4	14.4	-130.5	-67.4	0	0	0	111.5
42	S	23.9	Very low	26.7	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	81%	0.814	S	S	*	*			trans	65.8	148.5	152.9	71.4	0	0	0	0	120.9
43	G	25	Very low	26.5	Very low	62 Å²	62	127.1 Å²	127.1	64%	0.639	81%	0.807	S	S	*	*			cis	166.1	139.1	-11	0	0	0	0	0	113.3
44	S	24.9	Very low	26.9	Very low	130 Å²	130	121 Å²	121	91%	0.909	79%	0.789	S	S	*	*			trans	48.9	151.2	164.5	65.3	0	0	0	0	120.8
45	A	27.4	Very low	27.2	Very low	104 Å²	104	120 Å²	120	86%	0.86	78%	0.78	S	S	*	*			cis	-174.6	161.9	-22.2	0	0	0	0	0	106.3
46	G	25.6	Very low	27.5	Very low	83 Å²	83	119.5 Å²	119.5	86%	0.856	77%	0.77	S	S	*	*			cis	167.2	118.9	-7	0	0	0	0	0	110.5
47	G	25.6	Very low	27.9	Very low	86 Å²	86	118.8 Å²	118.8	89%	0.887	77%	0.765	S	S	*	*			trans	-178.7	127.3	-176.6	0	0	0	0	0	111.6
48	G	26.8	Very low	28.3	Very low	84 Å²	84	118.1 Å²	118.1	87%	0.866	75%	0.753	S	S	*	*			trans	-101.6	148.1	-159.9	0	0	0	0	0	116.8
49	A	29	Very low	28.3	Very low	102 Å²	102	118 Å²	118	84%	0.843	75%	0.745	S	S	*	*			trans	-155.1	139.7	150.9	0	0	0	0	0	108.7	K51	A49-K51 PolarHBondContact O-N 3.39Å
50	T	29.5	Very low	28.7	Very low	151 Å²	151	116.5 Å²	116.5	93%	0.926	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-75.4	117.7	-170.4	36.4	0	0	0	0	113
51	K	30.4	Very low	29.1	Very low	205 Å²	205	117.2 Å²	117.2	89%	0.891	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-99.4	128.6	167.4	-77.5	-176.3	174.6	-180	0	110.4	A49	A49-K51 PolarHBondContact O-N 3.39Å
52	R	29.8	Very low	29.5	Very low	207 Å²	207	117.5 Å²	117.5	78%	0.781	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-68.7	149.3	163.4	-72.7	-171.5	178.6	-170.3	1.4	110.1	E56	R52-E56 WeakPolarHBondContact CD-OE2 3.34Å; R52-E56 IonicContact NH1-OE1 3.82Å; R52-E56 IonicContact NH1-OE2 3.19Å; R52-E56 PolarHBondContact NH1-OE2 3.45Å
53	S	32.8	Very low	29.9	Very low	95 Å²	95	117.8 Å²	117.8	66%	0.664	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-75.9	145.7	-176.9	43.8	0	0	0	0	112.4	A55	S53-A55 PolarHBondContact O-N 3.04Å
54	G	32.7	Very low	30.2	Very low	54 Å²	54	122 Å²	122	56%	0.557	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	10.7	-172.1	0	0	0	0	0	117.5
55	A	32.3	Very low	30.7	Very low	68 Å²	68	120.4 Å²	120.4	56%	0.562	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-23.1	177.6	0	0	0	0	0	113.4	S53	S53-A55 PolarHBondContact O-N 3.04Å
56	E	31.4	Very low	31	Very low	114 Å²	114	117.4 Å²	117.4	53%	0.533	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-34.3	175.5	-66.6	-172.7	132.2	0	0	111.8	R52 L59 E60	R52-E56 WeakPolarHBondContact CD-OE2 3.34Å; R52-E56 IonicContact NH1-OE1 3.82Å; R52-E56 IonicContact NH1-OE2 3.19Å; R52-E56 PolarHBondContact NH1-OE2 3.45Å; E56-L59 PolarHBondContact O-N 2.88Å; E56-E60 PolarHBondContact O-N 3.37Å
57	L	32.7	Very low	31.4	Very low	125 Å²	125	116.5 Å²	116.5	65%	0.654	67%	0.666	S	S	*	*	H	α-helix	trans	-70.4	-38.9	-178.3	-86	155.4	0	0	0	113.1	L59 E60 E61	L57-L59 PolarHBondContact O-N 3.36Å; L57-E60 PolarHBondContact O-N 3.19Å; L57-E61 PolarHBondContact O-N 3.2Å
58	E	31.9	Very low	31.8	Very low	119 Å²	119	116.4 Å²	116.4	56%	0.556	65%	0.649	S	S	*	*	H	α-helix	trans	-70.6	-19.5	179.3	-143	-177.4	164.9	0	0	112.7	R62	E58-R62 WeakPolarHBondContact O-CG 3.39Å
59	L	32.7	Very low	32.1	Very low	116 Å²	116	117.9 Å²	117.9	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-81.6	-41.2	174.6	-121.7	92.6	0	0	0	112.6	E56 L57 R62 L63	E56-L59 PolarHBondContact O-N 2.88Å; L57-L59 PolarHBondContact O-N 3.36Å; L59-R62 PolarHBondContact O-N 3.37Å; L59-L63 PolarHBondContact O-N 3.01Å
60	E	32.2	Very low	32.4	Very low	127 Å²	127	117.8 Å²	117.8	59%	0.593	62%	0.621	S	S	*	*	H	α-helix	trans	-65.6	-38	177.9	-73.5	-163.2	130.3	0	0	111.9	E56 L57 L63 Q64	E56-E60 PolarHBondContact O-N 3.37Å; L57-E60 PolarHBondContact O-N 3.19Å; E60-L63 PolarHBondContact O-N 2.91Å; E60-Q64 WeakPolarHBondContact O-CG 3.47Å; E60-Q64 PolarHBondContact O-N 3.27Å
61	E	31.3	Very low	32.6	Very low	142 Å²	142	116 Å²	116	66%	0.664	61%	0.605	S	S	*	*	H	α-helix	trans	-66.6	-39.5	178.5	-160.1	167.5	-149	0	0	111.8	L57 Q64 T65	L57-E61 PolarHBondContact O-N 3.2Å; E61-Q64 PolarHBondContact O-N 2.95Å; E61-T65 PolarHBondContact O-N 3.26Å; E61-T65 PolarHBondContact O-OG1 2.94Å
62	R	32	Very low	32.8	Very low	177 Å²	177	112.4 Å²	112.4	67%	0.668	59%	0.591	S	S	*	*	H	α-helix	trans	-68.8	-34.7	174.1	-71.9	-175.7	-178.4	-150.4	3.9	113.1	E58 L59 T65 A66	E58-R62 WeakPolarHBondContact O-CG 3.39Å; L59-R62 PolarHBondContact O-N 3.37Å; R62-T65 PolarHBondContact O-N 3.1Å; R62-T65 PolarHBondContact O-OG1 2.67Å; R62-A66 PolarHBondContact O-N 3.25Å
63	L	31.3	Very low	32.9	Very low	122 Å²	122	108 Å²	108	64%	0.639	58%	0.582	S	S	*	*	H	α-helix	trans	-69.7	-35.5	176.2	-85.1	160.9	0	0	0	113	L59 E60 T65 A66	L59-L63 PolarHBondContact O-N 3.01Å; E60-L63 PolarHBondContact O-N 2.91Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-A66 PolarHBondContact O-N 3.26Å
64	Q	32.4	Very low	32.9	Very low	152 Å²	152	110.9 Å²	110.9	71%	0.71	58%	0.583	S	S	*	*	H	α-helix	trans	-67.7	-33.4	175	-71.7	-174.6	9.9	0	0	112.6	E60 E61	E60-Q64 WeakPolarHBondContact O-CG 3.47Å; E60-Q64 PolarHBondContact O-N 3.27Å; E61-Q64 PolarHBondContact O-N 2.95Å
65	T	35.4	Very low	32.7	Very low	96 Å²	96	110.9 Å²	110.9	59%	0.589	57%	0.574	S	S	*	*	H	α-helix	trans	-75	-18.5	178.1	54.2	0	0	0	0	115.5	E61 R62 L63 P68	E61-T65 PolarHBondContact O-N 3.26Å; E61-T65 PolarHBondContact O-OG1 2.94Å; R62-T65 PolarHBondContact O-N 3.1Å; R62-T65 PolarHBondContact O-OG1 2.67Å; L63-T65 VanDerWaalsContact C-N 3.34Å; T65-P68 WeakPolarHBondContact O-CD 3.27Å
66	A	32.5	Very low	32.7	Very low	40 Å²	40	110.5 Å²	110.5	33%	0.331	57%	0.565	S	S	.	*	H	α-helix	trans	-83.7	-23	-179.5	0	0	0	0	0	114.1	R62 L63 L69 I70	R62-A66 PolarHBondContact O-N 3.25Å; L63-A66 PolarHBondContact O-N 3.26Å; A66-L69 PolarHBondContact O-N 2.92Å; A66-I70 PolarHBondContact O-N 3.27Å
67	S	34	Very low	32.7	Very low	65 Å²	65	107.8 Å²	107.8	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-57.2	-46.9	-178.1	163	0	0	0	0	114.3	L69 I71	S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 3.13Å; S67-I71 WeakPolarHBondContact O-CG1 3.25Å; S67-I71 PolarHBondContact O-N 3.02Å
68	P	35	Very low	32.5	Very low	83 Å²	83	109.6 Å²	109.6	54%	0.539	56%	0.561	S	S	.	*	H	α-helix	trans	-63.7	-34.5	178.6	-22.4	34.5	0	0	0	113.4	T65 I71 H72	T65-P68 WeakPolarHBondContact O-CD 3.27Å; P68-I71 PolarHBondContact O-N 2.96Å; P68-H72 VanDerWaalsContact O-CB 3.29Å; P68-H72 WeakPolarHBondContact O-CB 3.3Å; P68-H72 PolarHBondContact O-N 3.03Å
69	L	33.7	Very low	32.4	Very low	116 Å²	116	108.9 Å²	108.9	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-66.7	-42	-177.7	-101.5	150.8	0	0	0	112.4	A66 S67 H72 L73	A66-L69 PolarHBondContact O-N 2.92Å; S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 3.13Å; L69-H72 PolarHBondContact O-N 2.97Å; L69-L73 WeakPolarHBondContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.13Å; L69-L73 PolarHBondContact O-N 3.44Å
70	I	34.3	Very low	32.3	Very low	100 Å²	100	111.3 Å²	111.3	51%	0.513	57%	0.57	S	S	.	*	H	α-helix	trans	-69	-39.8	177.3	-63.4	172.3	0	0	0	110.6	A66 H72 L73 F74	A66-I70 PolarHBondContact O-N 3.27Å; I70-H72 VanDerWaalsContact C-N 3.33Å; I70-H72 PolarHBondContact O-N 3.1Å; I70-L73 PolarHBondContact O-N 2.94Å; I70-F74 HydrophobicContact CG2-CD2 4.24Å; I70-F74 PolarHBondContact O-N 3.14Å
71	I	33.7	Very low	32	Very low	114 Å²	114	110.5 Å²	110.5	59%	0.585	57%	0.573	S	S	*	*	H	α-helix	trans	-66	-37	174.8	-65.2	169.9	0	0	0	110.9	S67 P68 F74 S75	S67-I71 WeakPolarHBondContact O-CG1 3.25Å; S67-I71 PolarHBondContact O-N 3.02Å; P68-I71 PolarHBondContact O-N 2.96Å; I71-F74 PolarHBondContact O-N 2.77Å; I71-S75 VanDerWaalsContact O-CB 3.25Å; I71-S75 WeakPolarHBondContact O-CB 3.09Å; I71-S75 PolarHBondContact O-N 3.44Å
72	H	34.5	Very low	31.8	Very low	129 Å²	129	111.5 Å²	111.5	60%	0.597	58%	0.578	S	S	*	*	H	α-helix	trans	-71	-33.9	176.9	-152.2	-53.3	0	0	0	112.5	P68 L69 I70 S75 T76	P68-H72 VanDerWaalsContact O-CB 3.29Å; P68-H72 WeakPolarHBondContact O-CB 3.3Å; P68-H72 PolarHBondContact O-N 3.03Å; L69-H72 PolarHBondContact O-N 2.97Å; I70-H72 VanDerWaalsContact C-N 3.33Å; I70-H72 PolarHBondContact O-N 3.1Å; H72-S75 PolarHBondContact O-N 3.41Å; H72-T76 PolarHBondContact O-N 3.21Å; H72-T76 PolarHBondContact O-OG1 2.71Å
73	L	33	Very low	31.4	Very low	113 Å²	113	105.9 Å²	105.9	59%	0.592	58%	0.575	S	S	*	*	H	α-helix	trans	-65.3	-46.3	171.1	-82.9	160.5	0	0	0	111.7	L69 I70 S75 T76 A77	L69-L73 WeakPolarHBondContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.13Å; L69-L73 PolarHBondContact O-N 3.44Å; I70-L73 PolarHBondContact O-N 2.94Å; L73-S75 VanDerWaalsContact C-N 3.35Å; L73-S75 PolarHBondContact O-N 3.18Å; L73-T76 WeakPolarHBondContact CA-OG1 3.29Å; L73-T76 PolarHBondContact O-N 3.17Å; L73-T76 PolarHBondContact O-OG1 3.18Å; L73-A77 WeakPolarHBondContact O-CB 3.4Å; L73-A77 PolarHBondContact O-N 2.97Å
74	F	31	Very low	31.2	Very low	157 Å²	157	106.3 Å²	106.3	69%	0.689	59%	0.585	S	S	*	*	H	α-helix	trans	-64.1	-37.8	173.4	-95.1	-87.9	0	0	0	112.7	I70 I71 A77 Y78	I70-F74 HydrophobicContact CG2-CD2 4.24Å; I70-F74 PolarHBondContact O-N 3.14Å; I71-F74 PolarHBondContact O-N 2.77Å; F74-A77 PolarHBondContact O-N 3.13Å; F74-Y78 VanDerWaalsContact O-CB 3.32Å; F74-Y78 WeakPolarHBondContact O-CB 3.46Å; F74-Y78 PolarHBondContact O-N 2.86Å
75	S	29.4	Very low	30.8	Very low	54 Å²	54	105.2 Å²	105.2	38%	0.378	59%	0.589	S	S	.	*	H	α-helix	trans	-67.3	-37	176.2	-177.4	0	0	0	0	112.7	I71 H72 L73 N79	I71-S75 VanDerWaalsContact O-CB 3.25Å; I71-S75 WeakPolarHBondContact O-CB 3.09Å; I71-S75 PolarHBondContact O-N 3.44Å; H72-S75 PolarHBondContact O-N 3.41Å; L73-S75 VanDerWaalsContact C-N 3.35Å; L73-S75 PolarHBondContact O-N 3.18Å; S75-N79 WeakPolarHBondContact O-CB 3.16Å; S75-N79 PolarHBondContact O-N 2.82Å; S75-N79 PolarHBondContact O-ND2 3.08Å; S75-N79 PolarHBondContact OG-ND2 2.98Å
76	T	32.6	Very low	30.2	Very low	60 Å²	60	112.3 Å²	112.3	37%	0.368	61%	0.605	S	S	.	*	H	α-helix	trans	-71.8	-39.7	174.8	38.2	0	0	0	0	112	H72 L73 Y78 N79 Q80	H72-T76 PolarHBondContact O-N 3.21Å; H72-T76 PolarHBondContact O-OG1 2.71Å; L73-T76 WeakPolarHBondContact CA-OG1 3.29Å; L73-T76 PolarHBondContact O-N 3.17Å; L73-T76 PolarHBondContact O-OG1 3.18Å; T76-Y78 PolarHBondContact O-N 3.14Å; T76-N79 PolarHBondContact O-N 3.24Å; T76-Q80 WeakPolarHBondContact O-CB 3.31Å; T76-Q80 WeakPolarHBondContact O-CG 3.14Å; T76-Q80 PolarHBondContact O-N 2.85Å
77	A	30.9	Very low	29.8	Very low	57 Å²	57	116.3 Å²	116.3	47%	0.471	63%	0.625	S	S	.	*	H	α-helix	trans	-62.2	-40.4	171.9	0	0	0	0	0	112.4	L73 F74	L73-A77 WeakPolarHBondContact O-CB 3.4Å; L73-A77 PolarHBondContact O-N 2.97Å; F74-A77 PolarHBondContact O-N 3.13Å
78	Y	29.4	Very low	29.3	Very low	163 Å²	163	121.3 Å²	121.3	64%	0.639	65%	0.645	S	S	*	*	H	α-helix	trans	-68.2	-44.7	177.1	-167.6	-100.5	0	0	0	112.1	F74 T76 Q80 T81	F74-Y78 VanDerWaalsContact O-CB 3.32Å; F74-Y78 WeakPolarHBondContact O-CB 3.46Å; F74-Y78 PolarHBondContact O-N 2.86Å; T76-Y78 PolarHBondContact O-N 3.14Å; Y78-Q80 VanDerWaalsContact C-N 3.33Å; Y78-Q80 PolarHBondContact O-N 3.1Å; Y78-T81 PolarHBondContact O-N 3.1Å; Y78-T81 PolarHBondContact O-OG1 2.78Å
79	N	29.7	Very low	28.9	Very low	104 Å²	104	122.2 Å²	122.2	56%	0.556	66%	0.66	S	S	*	*	H	α-helix	trans	-72.4	-21.4	179.2	-73.8	-47.5	0	0	0	113.9	S75 T76 T81	S75-N79 WeakPolarHBondContact O-CB 3.16Å; S75-N79 PolarHBondContact O-N 2.82Å; S75-N79 PolarHBondContact O-ND2 3.08Å; S75-N79 PolarHBondContact OG-ND2 2.98Å; T76-N79 PolarHBondContact O-N 3.24Å; N79-T81 PolarHBondContact O-N 2.72Å
80	Q	29	Very low	28.6	Very low	167 Å²	167	124.6 Å²	124.6	78%	0.78	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-6.4	172.6	-82.1	-178.1	-17.4	0	0	114.3	T76 Y78	T76-Q80 WeakPolarHBondContact O-CB 3.31Å; T76-Q80 WeakPolarHBondContact O-CG 3.14Å; T76-Q80 PolarHBondContact O-N 2.85Å; Y78-Q80 VanDerWaalsContact C-N 3.33Å; Y78-Q80 PolarHBondContact O-N 3.1Å
81	T	27.6	Very low	28.3	Very low	110 Å²	110	129 Å²	129	68%	0.675	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	11	179.2	58.6	0	0	0	0	114.7	Y78 N79	Y78-T81 PolarHBondContact O-N 3.1Å; Y78-T81 PolarHBondContact O-OG1 2.78Å; N79-T81 PolarHBondContact O-N 2.72Å
82	Q	26	Very low	28	Very low	163 Å²	163	135.3 Å²	135.3	76%	0.762	70%	0.696	S	S	*	*			trans	-106.8	70	176	-69	-106.3	-14.1	0	0	111.5
83	G	23.3	Very low	27.7	Very low	58 Å²	58	136.7 Å²	136.7	60%	0.598	71%	0.707	S	S	*	*	S	Bend	trans	-160.8	134.6	173.4	0	0	0	0	0	109.5	V85	G83-V85 PolarHBondContact O-N 2.78Å
84	P	28.2	Very low	27.6	Very low	131 Å²	131	140.7 Å²	140.7	85%	0.851	72%	0.719	S	S	*	*			trans	-88	113.7	-149.7	32.5	-35.4	0	0	0	114.1
85	V	22.9	Very low	27.4	Very low	130 Å²	130	139.8 Å²	139.8	79%	0.788	72%	0.721	S	S	*	*			trans	-109.5	111.9	150.8	-177.5	0	0	0	0	108.3	G83 V87	G83-V85 PolarHBondContact O-N 2.78Å; V85-V87 HydrophobicContact CG1-CG2 4.22Å; V85-V87 PolarHBondContact O-N 2.92Å
86	R	23.6	Very low	27.3	Very low	245 Å²	245	148.4 Å²	148.4	93%	0.925	75%	0.745	S	S	*	*			trans	-74.2	98.9	171.1	-76.9	177.2	168.9	176.7	-3.3	108.9
87	V	23.4	Very low	27.1	Very low	124 Å²	124	149.9 Å²	149.9	75%	0.752	76%	0.756	S	S	*	*			trans	-94.5	140.2	155.3	-176.7	0	0	0	0	109	V85	V85-V87 HydrophobicContact CG1-CG2 4.22Å; V85-V87 PolarHBondContact O-N 2.92Å
88	L	23.8	Very low	27.2	Very low	169 Å²	169	152.6 Å²	152.6	89%	0.885	76%	0.762	S	S	*	*			trans	-42.5	135.9	-168.3	-72.2	146.1	0	0	0	115.8	R90	L88-R90 PolarHBondContact O-N 3.35Å
89	A	27.6	Very low	27.2	Very low	103 Å²	103	149.2 Å²	149.2	85%	0.851	76%	0.76	S	S	*	*			trans	-72.7	105.7	-177.4	0	0	0	0	0	112.8
90	R	26.5	Very low	27.2	Very low	166 Å²	166	147.8 Å²	147.8	63%	0.626	76%	0.759	S	S	*	*			trans	-148.9	30.2	166.2	-136.8	162.2	177.5	-174.7	0.6	115.4	L88	L88-R90 PolarHBondContact O-N 3.35Å
91	E	28.4	Very low	27.3	Very low	192 Å²	192	148.1 Å²	148.1	90%	0.897	76%	0.76	S	S	*	*			trans	-145.9	37.1	-173.4	-128.4	165	-116.6	0	0	115.6
92	R	26.3	Very low	27.7	Very low	247 Å²	247	149.7 Å²	149.7	93%	0.932	76%	0.763	S	S	*	*			trans	-101.6	18.1	-170.9	-117.5	-176.7	-171.3	-166.7	2.5	117
93	L	29.7	Very low	28.1	Very low	158 Å²	158	147.3 Å²	147.3	83%	0.827	76%	0.76	S	S	*	*	S	Bend	trans	-128.6	0.8	-165	-96.1	162.8	0	0	0	118.8
94	F	30.1	Very low	28.4	Very low	196 Å²	196	154 Å²	154	86%	0.86	77%	0.773	S	S	*	*	S	Bend	trans	-109.3	0.8	-175.7	-96.8	-80.4	0	0	0	117.6
95	L	28	Very low	28.5	Very low	139 Å²	139	151 Å²	151	73%	0.728	77%	0.765	S	S	*	*	S	Bend	trans	-116.3	18.4	-175.5	-81.7	166.5	0	0	0	115.6
96	R	27.3	Very low	28.9	Very low	234 Å²	234	151.4 Å²	151.4	88%	0.883	77%	0.768	S	S	*	*	S	Bend	trans	-85.5	-24.5	176.9	-90.3	-174.1	170.7	-174.7	-3.3	117.6
97	P	27.3	Very low	29.4	Very low	91 Å²	91	144.8 Å²	144.8	59%	0.591	76%	0.757	S	S	*	*	S	Bend	trans	-81.5	-27.7	179.9	-16.1	31.3	0	0	0	115.2	S100	P97-S100 PolarHBondContact O-OG 2.96Å
98	I	32.2	Very low	30.1	Very low	115 Å²	115	141.1 Å²	141.1	59%	0.59	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-80.1	-27.7	-165.5	-60.9	174.7	0	0	0	112.5
99	C	30.6	Very low	30.9	Very low	91 Å²	91	138.5 Å²	138.5	62%	0.615	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-81.5	-9.1	179.8	-66	0	0	0	0	114.7
100	S	29.8	Very low	31.4	Very low	75 Å²	75	136.4 Å²	136.4	52%	0.524	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-86.2	-14.9	-175.8	42.6	0	0	0	0	115.7	P97	P97-S100 PolarHBondContact O-OG 2.96Å
101	E	31.5	Very low	31.9	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	71%	0.71	S	S	*	*	S	Bend	trans	-92.5	-21.8	177.3	-74.1	-169.1	130.8	0	0	113.9	T103	E101-T103 VanDerWaalsContact C-N 3.33Å; E101-T103 PolarHBondContact O-N 2.96Å
102	I	35.1	Very low	32.2	Very low	144 Å²	144	134.6 Å²	134.6	74%	0.738	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-16.3	-176.3	-62.2	175.8	0	0	0	112.3
103	T	33.9	Very low	32.9	Very low	113 Å²	113	127 Å²	127	69%	0.693	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	16	-174.1	47.1	0	0	0	0	115.2	E101	E101-T103 VanDerWaalsContact C-N 3.33Å; E101-T103 PolarHBondContact O-N 2.96Å
104	K	30.7	Very low	33.5	Very low	198 Å²	198	126.8 Å²	126.8	86%	0.861	67%	0.67	S	S	*	*	S	Bend	trans	-129.2	64	174.4	-70.3	-173.7	178.5	178.3	0	112.7
105	G	30.5	Very low	33.9	Very low	68 Å²	68	122.3 Å²	122.3	70%	0.701	65%	0.654	S	S	*	*	S	Bend	trans	-165.1	148.2	174	0	0	0	0	0	112.6
106	V	30.7	Very low	34.4	Very low	138 Å²	138	125 Å²	125	84%	0.836	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-60.1	140.2	-178.3	178.1	0	0	0	0	111
107	P	33.8	Very low	34.9	Very low	107 Å²	107	119.4 Å²	119.4	70%	0.695	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-68.9	132.6	-175.5	26.9	-35.5	0	0	0	112.9
108	P	38.4	Very low	35.4	Very low	47 Å²	47	118.7 Å²	118.7	31%	0.305	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-75.2	133.3	176	29.6	-33.6	0	0	0	111.4	E113 R114	P108-E113 HydrophobicContact CB-CB 4.23Å; P108-R114 HydrophobicContact CG-CG 4.04Å
109	S	39.6	Very low	35.6	Very low	114 Å²	114	118 Å²	118	80%	0.797	63%	0.634	S	S	*	*			trans	-89.9	-4.8	-168.5	55.8	0	0	0	0	114.7
110	T	39.7	Very low	35.7	Very low	59 Å²	59	117.7 Å²	117.7	36%	0.362	63%	0.629	S	S	.	*	S	Bend	trans	-130.8	149.5	178.5	70	0	0	0	0	114.5	R112 E113	T110-R112 VanDerWaalsContact C-N 3.3Å; T110-R112 PolarHBondContact O-N 3Å; T110-E113 PolarHBondContact N-OE2 3.45Å; T110-E113 PolarHBondContact O-N 3.4Å; T110-E113 WeakPolarHBondContact OG1-CG 3.33Å; T110-E113 PolarHBondContact OG1-OE2 2.96Å
111	P	36.4	Very low	36	Very low	103 Å²	103	117.1 Å²	117.1	67%	0.669	63%	0.629	S	S	*	*	H	α-helix	trans	-62.1	-32.7	176.6	-24.5	34.7	0	0	0	114.1	E113 R114 I115	P111-E113 VanDerWaalsContact C-N 3.31Å; P111-E113 PolarHBondContact O-N 3.39Å; P111-R114 PolarHBondContact O-N 3.15Å; P111-I115 WeakPolarHBondContact O-CG1 3.19Å; P111-I115 PolarHBondContact O-N 2.76Å
112	R	35.4	Very low	36.1	Very low	216 Å²	216	114.7 Å²	114.7	82%	0.815	62%	0.621	S	S	*	*	H	α-helix	trans	-64.6	-31.7	-179.6	-81.2	-177.9	168.6	171.4	-2.5	112.9	T110 R116	T110-R112 VanDerWaalsContact C-N 3.3Å; T110-R112 PolarHBondContact O-N 3Å; R112-R116 PolarHBondContact O-N 3.28Å; R112-R116 VanDerWaalsContact O-N 3.12Å
113	E	40.1	Very low	35.8	Very low	89 Å²	89	110.8 Å²	110.8	42%	0.416	61%	0.607	S	S	.	*	H	α-helix	trans	-73	-37.7	177.2	-71.6	169.4	133.4	0	0	112.4	P108 T110 P111 I115 R116 L117	P108-E113 HydrophobicContact CB-CB 4.23Å; T110-E113 PolarHBondContact N-OE2 3.45Å; T110-E113 PolarHBondContact O-N 3.4Å; T110-E113 WeakPolarHBondContact OG1-CG 3.33Å; T110-E113 PolarHBondContact OG1-OE2 2.96Å; P111-E113 VanDerWaalsContact C-N 3.31Å; P111-E113 PolarHBondContact O-N 3.39Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 2.61Å; E113-R116 PolarHBondContact O-N 3.44Å; E113-L117 PolarHBondContact O-N 3.18Å
114	R	42.7	Very low	35.7	Very low	152 Å²	152	116.1 Å²	116.1	57%	0.574	61%	0.614	S	S	*	*	H	α-helix	trans	-62.6	-41.3	174.9	-60.8	-174.5	-171.7	-162.5	1	111.4	P108 P111 L117 C118	P108-R114 HydrophobicContact CG-CG 4.04Å; P111-R114 PolarHBondContact O-N 3.15Å; R114-L117 PolarHBondContact O-N 3.22Å; R114-C118 PolarHBondContact O-N 2.94Å; R114-C118 PolarHBondContact O-SG 3.17Å; R114-C118 VanDerWaalsContact O-SG 3.35Å
115	I	38.7	Very low	35.8	Very low	103 Å²	103	112.6 Å²	112.6	53%	0.528	61%	0.609	S	S	.	*	H	α-helix	trans	-64.4	-43.4	175.7	-65.7	168.1	0	0	0	110.9	P111 E113 L117 C118 I119	P111-I115 WeakPolarHBondContact O-CG1 3.19Å; P111-I115 PolarHBondContact O-N 2.76Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 2.61Å; I115-L117 PolarHBondContact O-N 3.33Å; I115-C118 PolarHBondContact O-N 3.42Å; I115-I119 HydrophobicContact CG2-CD1 3.74Å; I115-I119 HydrophobicContact CG2-CG1 4.47Å; I115-I119 VanDerWaalsContact O-CG1 3.29Å; I115-I119 WeakPolarHBondContact O-CG1 3.46Å; I115-I119 PolarHBondContact O-N 3.14Å
116	R	37.1	Very low	35.7	Very low	195 Å²	195	113.1 Å²	113.1	74%	0.736	61%	0.607	S	S	*	*	H	α-helix	trans	-60.2	-43.1	174.3	-90.5	-175.1	167.7	-179.9	-3.8	112.8	R112 E113 I119 V120	R112-R116 PolarHBondContact O-N 3.28Å; R112-R116 VanDerWaalsContact O-N 3.12Å; E113-R116 PolarHBondContact O-N 3.44Å; R116-I119 PolarHBondContact O-N 3.37Å; R116-V120 WeakPolarHBondContact O-CG2 3.08Å; R116-V120 PolarHBondContact O-N 3.26Å
117	L	39.8	Very low	35.4	Very low	116 Å²	116	112.2 Å²	112.2	61%	0.607	61%	0.605	S	S	*	*	H	α-helix	trans	-64.2	-41.5	177.1	-92.9	147.3	0	0	0	112.5	E113 R114 I115 V120 A121	E113-L117 PolarHBondContact O-N 3.18Å; R114-L117 PolarHBondContact O-N 3.22Å; I115-L117 PolarHBondContact O-N 3.33Å; L117-V120 PolarHBondContact O-N 3.26Å; L117-A121 WeakPolarHBondContact O-CB 3.48Å; L117-A121 PolarHBondContact O-N 3.06Å
118	C	36.7	Very low	34.9	Very low	77 Å²	77	112.8 Å²	112.8	52%	0.52	61%	0.612	S	S	.	*	H	α-helix	trans	-63	-41.8	173.3	-67.6	0	0	0	0	112.3	R114 I115 A121 L122	R114-C118 PolarHBondContact O-N 2.94Å; R114-C118 PolarHBondContact O-SG 3.17Å; R114-C118 VanDerWaalsContact O-SG 3.35Å; I115-C118 PolarHBondContact O-N 3.42Å; C118-A121 PolarHBondContact O-N 2.87Å; C118-L122 WeakPolarHBondContact O-CB 3.44Å; C118-L122 WeakPolarHBondContact O-CD1 3.35Å; C118-L122 WeakPolarHBondContact O-CG 3.46Å; C118-L122 PolarHBondContact O-N 3.42Å
119	I	35.7	Very low	34.3	Very low	101 Å²	101	116.2 Å²	116.2	52%	0.518	64%	0.636	S	S	.	*	H	α-helix	trans	-65.6	-40	178	-69.1	168	0	0	0	111.3	I115 R116 L122 S123	I115-I119 HydrophobicContact CG2-CD1 3.74Å; I115-I119 HydrophobicContact CG2-CG1 4.47Å; I115-I119 VanDerWaalsContact O-CG1 3.29Å; I115-I119 WeakPolarHBondContact O-CG1 3.46Å; I115-I119 PolarHBondContact O-N 3.14Å; R116-I119 PolarHBondContact O-N 3.37Å; I119-L122 PolarHBondContact O-N 2.97Å; I119-S123 WeakPolarHBondContact O-CB 3.32Å; I119-S123 PolarHBondContact O-N 3.27Å; I119-S123 PolarHBondContact O-OG 3.11Å
120	V	34.6	Very low	33.5	Very low	84 Å²	84	118.4 Å²	118.4	51%	0.509	64%	0.639	S	S	.	*	H	α-helix	trans	-70.3	-31.7	177.2	171.7	0	0	0	0	112.4	R116 L117 S123	R116-V120 WeakPolarHBondContact O-CG2 3.08Å; R116-V120 PolarHBondContact O-N 3.26Å; L117-V120 PolarHBondContact O-N 3.26Å; V120-S123 WeakPolarHBondContact CA-OG 3.43Å; V120-S123 PolarHBondContact O-OG 2.96Å
121	A	35.5	Very low	33.3	Very low	63 Å²	63	121 Å²	121	52%	0.521	66%	0.657	S	S	.	*	H	α-helix	trans	-68.7	-42.2	171.5	0	0	0	0	0	111.8	L117 C118	L117-A121 WeakPolarHBondContact O-CB 3.48Å; L117-A121 PolarHBondContact O-N 3.06Å; C118-A121 PolarHBondContact O-N 2.87Å
122	L	32.7	Very low	32.8	Very low	121 Å²	121	122.2 Å²	122.2	63%	0.634	67%	0.668	S	S	*	*	H	α-helix	trans	-70.9	-36.3	178	-73.6	163.8	0	0	0	112.8	C118 I119 R124 V125	C118-L122 WeakPolarHBondContact O-CB 3.44Å; C118-L122 WeakPolarHBondContact O-CD1 3.35Å; C118-L122 WeakPolarHBondContact O-CG 3.46Å; C118-L122 PolarHBondContact O-N 3.42Å; I119-L122 PolarHBondContact O-N 2.97Å; L122-R124 VanDerWaalsContact C-N 3.26Å; L122-R124 PolarHBondContact O-N 3.11Å; L122-V125 WeakPolarHBondContact O-CB 3.38Å; L122-V125 PolarHBondContact O-N 3.03Å
123	S	30.2	Very low	32.2	Very low	63 Å²	63	115.1 Å²	115.1	44%	0.441	66%	0.662	S	S	.	*	H	α-helix	trans	-70.8	-19	179.6	65.7	0	0	0	0	113.6	I119 V120 V125	I119-S123 WeakPolarHBondContact O-CB 3.32Å; I119-S123 PolarHBondContact O-N 3.27Å; I119-S123 PolarHBondContact O-OG 3.11Å; V120-S123 WeakPolarHBondContact CA-OG 3.43Å; V120-S123 PolarHBondContact O-OG 2.96Å; S123-V125 VanDerWaalsContact C-N 3.28Å
124	R	30.2	Very low	31.6	Very low	224 Å²	224	117.2 Å²	117.2	85%	0.845	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-11.1	169.5	-78.6	-174.1	172	-174.6	-1.9	114	L122	L122-R124 VanDerWaalsContact C-N 3.26Å; L122-R124 PolarHBondContact O-N 3.11Å
125	V	33.1	Very low	30.7	Very low	125 Å²	125	116.5 Å²	116.5	76%	0.758	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-14.7	176.2	-178.5	0	0	0	0	111.7	L122 S123	L122-V125 WeakPolarHBondContact O-CB 3.38Å; L122-V125 PolarHBondContact O-N 3.03Å; S123-V125 VanDerWaalsContact C-N 3.28Å
126	A	28.6	Very low	30.1	Very low	79 Å²	79	120 Å²	120	65%	0.653	71%	0.708	S	S	*	*	S	Bend	trans	-105	6.6	-168.8	0	0	0	0	0	115.8
127	C	24.2	Very low	29.4	Very low	118 Å²	118	117 Å²	117	80%	0.797	71%	0.711	S	S	*	*			trans	-126.1	75.3	-178.1	-73.7	0	0	0	0	113.4
128	S	24.3	Very low	28.7	Very low	120 Å²	120	118.3 Å²	118.3	84%	0.839	72%	0.718	S	S	*	*			trans	-159.5	87.9	151.2	62	0	0	0	0	110.3
129	S	24.4	Very low	28.2	Very low	118 Å²	118	122.5 Å²	122.5	83%	0.825	73%	0.734	S	S	*	*			trans	-129.4	101.7	168.3	58.5	0	0	0	0	108.5
130	D	24	Very low	27.6	Very low	160 Å²	160	122.7 Å²	122.7	86%	0.856	74%	0.744	S	S	*	*			trans	-141.4	144	161.8	-123	-15.6	0	0	0	108
131	P	34	Very low	27.3	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	76%	0.757	S	S	*	*			trans	-100.2	115	-163.3	35.3	-31	0	0	0	113.3
132	S	26.4	Very low	26.9	Very low	127 Å²	127	128 Å²	128	89%	0.888	76%	0.761	S	S	*	*			trans	178.4	148.7	147.7	40.6	0	0	0	0	111.8
133	G	24.2	Very low	26.6	Very low	67 Å²	67	131 Å²	131	69%	0.691	77%	0.772	S	S	*	*			trans	94.2	96.7	163.5	0	0	0	0	0	116.5
134	T	26.8	Very low	26.5	Very low	133 Å²	133	134.9 Å²	134.9	82%	0.816	79%	0.788	S	S	*	*			trans	29.9	104	134.7	54.8	0	0	0	0	118.7
135	T	24.1	Very low	26.3	Very low	137 Å²	137	129.5 Å²	129.5	84%	0.84	79%	0.785	S	S	*	*				171.1	120.4	114	29.2	0	0	0	0	110.4
136	E	24.7	Very low	26.3	Very low	177 Å²	177	132.2 Å²	132.2	83%	0.827	79%	0.791	S	S	*	*			trans	-81.4	127.4	162.7	-76.2	-169.2	134.6	0	0	109.6
137	V	23.6	Very low	26.2	Very low	131 Å²	131	138 Å²	138	79%	0.794	80%	0.801	S	S	*	*			trans	-105.1	95.9	159.7	176.5	0	0	0	0	106.8
138	L	24.9	Very low	26.5	Very low	144 Å²	144	140.7 Å²	140.7	75%	0.754	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-95.5	122.6	164.4	-99.9	163	0	0	0	108.8	S140	L138-S140 PolarHBondContact O-N 2.96Å
139	L	25.2	Very low	26.8	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72.1	117.4	173.9	-80	145.1	0	0	0	109.3
140	S	24.9	Very low	27.4	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-73.2	162.2	167.8	52.3	0	0	0	0	111.8	L138	L138-S140 PolarHBondContact O-N 2.96Å
141	P	26.8	Very low	27.9	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.4	166.5	177.1	-18.1	32.7	0	0	0	113	E143	P141-E143 PolarHBondContact O-N 3.34Å; P141-E143 VanDerWaalsContact O-N 3.12Å
142	K	27.8	Very low	28	Very low	140 Å²	140	138.4 Å²	138.4	61%	0.609	79%	0.791	S	S	*	*			trans	-73	98.7	172.8	-74.2	152.1	173.5	152.1	0	109.9
143	E	26.7	Very low	28.5	Very low	184 Å²	184	140.6 Å²	140.6	86%	0.86	79%	0.787	S	S	*	*			trans	-73.1	131.2	158.5	-71.2	178	158.8	0	0	109.7	P141 S145	P141-E143 PolarHBondContact O-N 3.34Å; P141-E143 VanDerWaalsContact O-N 3.12Å; E143-S145 PolarHBondContact O-N 2.82Å
144	D	27.9	Very low	29.2	Very low	145 Å²	145	146.8 Å²	146.8	78%	0.775	80%	0.798	S	S	*	*			trans	-76.4	106	168	-81.9	-39	0	0	0	108.6	M146	D144-M146 PolarHBondContact O-N 2.85Å
145	S	26.3	Very low	29.6	Very low	111 Å²	111	148.1 Å²	148.1	78%	0.776	80%	0.8	S	S	*	*			trans	-69.6	104.8	-177.1	53.7	0	0	0	0	111.9	E143 K147	E143-S145 PolarHBondContact O-N 2.82Å; S145-K147 PolarHBondContact O-N 3.13Å
146	M	31.6	Very low	30.5	Very low	182 Å²	182	152.3 Å²	152.3	90%	0.897	80%	0.801	S	S	*	*			trans	-50.9	123.3	162.1	-126.1	173.8	-176.4	0	0	108.8	D144 M148	D144-M146 PolarHBondContact O-N 2.85Å; M146-M148 PolarHBondContact O-N 2.99Å
147	K	27.8	Very low	31.3	Very low	200 Å²	200	152.6 Å²	152.6	87%	0.87	80%	0.799	S	S	*	*			trans	-68.1	95.6	-177.8	-76.8	-179.8	176.5	175	0	110.7	S145 S149	S145-K147 PolarHBondContact O-N 3.13Å; K147-S149 PolarHBondContact O-N 3.26Å
148	M	30.6	Very low	32.1	Very low	174 Å²	174	151.5 Å²	151.5	86%	0.857	80%	0.798	S	S	*	*			trans	-66.8	95	165.1	-80.4	-67.2	-79.4	0	0	110.1	M146 V150	M146-M148 PolarHBondContact O-N 2.99Å; M148-V150 PolarHBondContact O-N 3.36Å
149	S	30.8	Very low	32.9	Very low	103 Å²	103	156.1 Å²	156.1	72%	0.72	81%	0.805	S	S	*	*			trans	-75.2	99.2	170	56	0	0	0	0	109.8	K147 C151	K147-S149 PolarHBondContact O-N 3.26Å; S149-C151 PolarHBondContact O-N 3.49Å; S149-C151 VanDerWaalsContact O-N 3.16Å
150	V	35.8	Very low	34.1	Very low	124 Å²	124	153.5 Å²	153.5	75%	0.752	81%	0.807	S	S	*	*			trans	-71	108.4	169	-179.9	0	0	0	0	108.5	M148 V152	M148-V150 PolarHBondContact O-N 3.36Å; V150-V152 PolarHBondContact O-N 3.31Å
151	C	34.7	Very low	35.2	Very low	111 Å²	111	153.6 Å²	153.6	75%	0.75	81%	0.808	S	S	*	*			trans	-65	102.9	169.9	-73.2	0	0	0	0	109.8	S149 H153	S149-C151 PolarHBondContact O-N 3.49Å; S149-C151 VanDerWaalsContact O-N 3.16Å; C151-H153 PolarHBondContact O-N 2.86Å
152	V	36.2	Very low	36.3	Very low	127 Å²	127	155.6 Å²	155.6	77%	0.77	82%	0.818	S	S	*	*			trans	-62.3	122.5	169.8	-178.5	0	0	0	0	108.2	V150 E154	V150-V152 PolarHBondContact O-N 3.31Å; V152-E154 PolarHBondContact O-N 3.18Å; V152-E154 VanDerWaalsContact O-N 3.11Å
153	H	36.2	Very low	37.3	Very low	173 Å²	173	151.4 Å²	151.4	80%	0.801	82%	0.815	S	S	*	*			trans	-59.9	113.5	172.7	-95.6	49.8	0	0	0	110	C151 N155	C151-H153 PolarHBondContact O-N 2.86Å; H153-N155 PolarHBondContact O-N 3.12Å
154	E	39.4	Very low	38.7	Very low	197 Å²	197	148.4 Å²	148.4	92%	0.921	81%	0.814	S	S	*	*			trans	-66.7	97	169.7	-76	-162.5	137	0	0	110.1	V152	V152-E154 PolarHBondContact O-N 3.18Å; V152-E154 VanDerWaalsContact O-N 3.11Å
155	N	35.4	Very low	40.3	Very low	161 Å²	161	149.1 Å²	149.1	86%	0.861	81%	0.814	S	S	*	*			trans	-97.5	135.5	167.7	-122.6	-24.8	0	0	0	110.9	H153	H153-N155 PolarHBondContact O-N 3.12Å
156	R	42.7	Very low	42	Very low	225 Å²	225	151.5 Å²	151.5	85%	0.849	82%	0.818	S	S	*	*			trans	-67.9	146.9	-161.1	-87	172.9	163.9	172.6	-3.8	115.1
157	K	41.9	Very low	44.1	Very low	183 Å²	183	149.5 Å²	149.5	80%	0.796	81%	0.81	S	S	*	*			trans	74.9	106.9	148.5	-75.5	178.8	176.7	-177.8	0	119.4
158	S	40.6	Very low	46.7	Very low	109 Å²	109	149 Å²	149	76%	0.762	80%	0.804	S	S	*	*				110.3	139.5	107.7	75.9	0	0	0	0	120.1
159	R	42.3	Very low	49.1	Very low	241 Å²	241	147.9 Å²	147.9	91%	0.909	80%	0.801	S	S	*	*			trans	65.7	121.6	163.4	-79.2	-178.8	164.9	164.2	-4.6	118.7	S161	R159-S161 PolarHBondContact O-N 3.31Å
160	A	49.6	Very low	51.9	Low	109 Å²	109	150.2 Å²	150.2	90%	0.901	80%	0.798	S	S	*	*			trans	-49.6	125.1	174.4	0	0	0	0	0	113.8
161	S	47.3	Very low	54.3	Low	108 Å²	108	151.6 Å²	151.6	76%	0.755	80%	0.796	S	S	*	*			trans	-131.4	128.1	145.2	58.8	0	0	0	0	107.9	R159 G163	R159-S161 PolarHBondContact O-N 3.31Å; S161-G163 PolarHBondContact O-N 3.4Å
162	T	50.7	Low	56.9	Low	160 Å²	160	151.4 Å²	151.4	98%	0.982	78%	0.782	S	S	*	*			trans	-75.9	70.3	170.3	41.7	0	0	0	0	109.3
163	G	47.7	Very low	59.3	Low	53 Å²	53	149.9 Å²	149.9	55%	0.546	78%	0.777	S	S	.	*			trans	-100.2	121	161.8	0	0	0	0	0	108.4	S161 M165	S161-G163 PolarHBondContact O-N 3.4Å; G163-M165 PolarHBondContact O-N 2.8Å
164	S	56.8	Low	61.8	Low	120 Å²	120	144 Å²	144	84%	0.839	76%	0.756	S	S	*	*			trans	-65	102.1	167.9	-166.5	0	0	0	0	107.6	N166	S164-N166 PolarHBondContact O-N 3.2Å
165	M	60.7	Low	64.2	Low	160 Å²	160	142 Å²	142	79%	0.788	74%	0.741	S	S	*	*			trans	-64	107.8	173.5	-73.8	-165.4	-175.3	0	0	107.3	G163 I167	G163-M165 PolarHBondContact O-N 2.8Å; M165-I167 HydrophobicContact CB-CD1 4.11Å; M165-I167 HydrophobicContact CB-CG1 3.89Å; M165-I167 PolarHBondContact O-N 3.49Å
166	N	62.4	Low	66.7	Low	161 Å²	161	137.2 Å²	137.2	86%	0.861	72%	0.724	S	S	*	*			trans	-79.5	70.8	-177.2	-151.5	10.2	0	0	0	108.9	S164 Y168	S164-N166 PolarHBondContact O-N 3.2Å; N166-Y168 PolarHBondContact O-N 3.07Å
167	I	75.7	Confident	68.8	Low	140 Å²	140	130.8 Å²	130.8	72%	0.718	71%	0.706	S	S	*	*			trans	-78.2	103.6	-175.9	-58.4	173.5	0	0	0	108.3	M165	M165-I167 HydrophobicContact CB-CD1 4.11Å; M165-I167 HydrophobicContact CB-CG1 3.89Å; M165-I167 PolarHBondContact O-N 3.49Å
168	Y	82.3	Confident	71	Confident	189 Å²	189	124 Å²	124	74%	0.741	68%	0.682	S	S	*	*			trans	-95.1	115.7	171	176.6	-105.6	0	0	0	110.1	N166 F170	N166-Y168 PolarHBondContact O-N 3.07Å; Y168-F170 HydrophobicContact CD1-CB 4.32Å; Y168-F170 HydrophobicContact CE1-CB 3.81Å; Y168-F170 HydrophobicContact CE1-CD2 4.1Å; Y168-F170 HydrophobicContact CE1-CG 4.46Å; Y168-F170 PolarHBondContact O-N 3.18Å
169	L	81.1	Confident	73.5	Confident	151 Å²	151	121.5 Å²	121.5	79%	0.791	66%	0.662	S	S	*	*			trans	-85.1	105.7	173.2	-171.4	82.3	0	0	0	109.5
170	F	89.3	Confident	75.8	Confident	153 Å²	153	112.5 Å²	112.5	67%	0.671	63%	0.632	S	S	*	*			trans	-82.2	122.3	171.2	-179.5	-104.1	0	0	0	110.5	Y168 K172	Y168-F170 HydrophobicContact CD1-CB 4.32Å; Y168-F170 HydrophobicContact CE1-CB 3.81Å; Y168-F170 HydrophobicContact CE1-CD2 4.1Å; Y168-F170 HydrophobicContact CE1-CG 4.46Å; Y168-F170 PolarHBondContact O-N 3.18Å; F170-K172 HydrophobicContact CE1-CB 4.04Å; F170-K172 HydrophobicContact CZ-CB 4.12Å
171	H	86.9	Confident	77.7	Confident	152 Å²	152	114 Å²	114	70%	0.704	62%	0.622	S	S	*	*			trans	-131	115.1	175.9	179.5	-94.1	0	0	0	110.3
172	K	90.2	Very high	79.8	Confident	107 Å²	107	115.2 Å²	115.2	47%	0.465	62%	0.615	S	S	.	*			trans	-99.6	104.9	174.8	-177.7	-173	177.6	-169.7	0	109	F170 S174 Y175	F170-K172 HydrophobicContact CE1-CB 4.04Å; F170-K172 HydrophobicContact CZ-CB 4.12Å; K172-S174 WeakPolarHBondContact CE-OG 3.34Å; K172-S174 PolarHBondContact O-N 2.75Å; K172-Y175 VanDerWaalsContact O-CB 3.25Å; K172-Y175 WeakPolarHBondContact O-CB 3.3Å; K172-Y175 PolarHBondContact O-N 3.37Å; K172-Y175 VanDerWaalsContact O-N 3.1Å
173	S	86.3	Confident	81.8	Confident	95 Å²	95	109.9 Å²	109.9	66%	0.664	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-45.9	-177.7	46.2	0	0	0	0	113.5	Y175	S173-Y175 PolarHBondContact O-N 3.28Å; S173-Y175 VanDerWaalsContact O-N 3.1Å
174	S	89.3	Confident	83.9	Confident	51 Å²	51	108.6 Å²	108.6	36%	0.357	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	6.9	-179.2	58.9	0	0	0	0	115.3	K172 S178	K172-S174 WeakPolarHBondContact CE-OG 3.34Å; K172-S174 PolarHBondContact O-N 2.75Å; S174-S178 WeakPolarHBondContact O-CB 3.21Å; S174-S178 PolarHBondContact O-N 2.95Å; S174-S178 VanDerWaalsContact O-N 3.13Å; S174-S178 PolarHBondContact O-OG 3.17Å
175	Y	89.8	Confident	85.6	Confident	154 Å²	154	105.2 Å²	105.2	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-68.5	-40	177.5	-177.2	-109.1	0	0	0	112	K172 S173 S178 V179	K172-Y175 VanDerWaalsContact O-CB 3.25Å; K172-Y175 WeakPolarHBondContact O-CB 3.3Å; K172-Y175 PolarHBondContact O-N 3.37Å; K172-Y175 VanDerWaalsContact O-N 3.1Å; S173-Y175 PolarHBondContact O-N 3.28Å; S173-Y175 VanDerWaalsContact O-N 3.1Å; Y175-S178 WeakPolarHBondContact O-CB 3.36Å; Y175-S178 PolarHBondContact O-N 2.91Å; Y175-V179 HydrophobicContact CD1-CG2 4.3Å; Y175-V179 HydrophobicContact CD2-CG2 4.44Å; Y175-V179 HydrophobicContact CE1-CG2 3.87Å; Y175-V179 HydrophobicContact CE2-CG2 4.01Å; Y175-V179 WeakPolarHBondContact O-CG2 3.3Å; Y175-V179 PolarHBondContact O-N 3.34Å
176	A	86.8	Confident	87.1	Confident	61 Å²	61	100 Å²	100	50%	0.504	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-51.6	178.4	0	0	0	0	0	111.6	S178 V179 L180	A176-S178 VanDerWaalsContact C-N 3.27Å; A176-S178 PolarHBondContact O-N 3.41Å; A176-V179 PolarHBondContact O-N 3.09Å; A176-V179 VanDerWaalsContact O-N 3.08Å; A176-L180 PolarHBondContact O-N 2.76Å
177	D	87.2	Confident	88.6	Confident	89 Å²	89	93.4 Å²	93.4	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-55.9	-43.7	175.4	-47.7	-41.6	0	0	0	111.4	V179 L180 M181	D177-V179 VanDerWaalsContact C-N 3.34Å; D177-V179 PolarHBondContact O-N 3.05Å; D177-L180 PolarHBondContact O-N 3.01Å; D177-M181 WeakPolarHBondContact O-CG 3.49Å; D177-M181 PolarHBondContact O-N 3.39Å
178	S	89.1	Confident	89.2	Confident	42 Å²	42	93.2 Å²	93.2	29%	0.294	47%	0.472	S	S	.	.	H	α-helix	trans	-59.9	-44.3	177.7	-59.1	0	0	0	0	111.3	S174 Y175 A176 H182	S174-S178 WeakPolarHBondContact O-CB 3.21Å; S174-S178 PolarHBondContact O-N 2.95Å; S174-S178 VanDerWaalsContact O-N 3.13Å; S174-S178 PolarHBondContact O-OG 3.17Å; Y175-S178 WeakPolarHBondContact O-CB 3.36Å; Y175-S178 PolarHBondContact O-N 2.91Å; A176-S178 VanDerWaalsContact C-N 3.27Å; A176-S178 PolarHBondContact O-N 3.41Å; S178-H182 PolarHBondContact O-N 3.32Å; S178-H182 VanDerWaalsContact O-N 3.12Å; S178-H182 PolarHBondContact O-ND1 2.92Å
179	V	91.1	Very high	89.7	Confident	56 Å²	56	89.9 Å²	89.9	34%	0.339	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-45.1	179.1	170.3	0	0	0	0	111	Y175 A176 D177 M181 H182 L183	Y175-V179 HydrophobicContact CD1-CG2 4.3Å; Y175-V179 HydrophobicContact CD2-CG2 4.44Å; Y175-V179 HydrophobicContact CE1-CG2 3.87Å; Y175-V179 HydrophobicContact CE2-CG2 4.01Å; Y175-V179 WeakPolarHBondContact O-CG2 3.3Å; Y175-V179 PolarHBondContact O-N 3.34Å; A176-V179 PolarHBondContact O-N 3.09Å; A176-V179 VanDerWaalsContact O-N 3.08Å; D177-V179 VanDerWaalsContact C-N 3.34Å; D177-V179 PolarHBondContact O-N 3.05Å; V179-M181 PolarHBondContact O-N 3.32Å; V179-H182 PolarHBondContact O-N 2.86Å; V179-L183 HydrophobicContact CG1-CD1 3.95Å; V179-L183 HydrophobicContact CG1-CG 4.41Å; V179-L183 WeakPolarHBondContact O-CG 3.03Å; V179-L183 PolarHBondContact O-N 3.28Å
180	L	90.7	Very high	90.2	Very high	51 Å²	51	91.3 Å²	91.3	27%	0.267	46%	0.458	S	S	.	.	H	α-helix	trans	-59.8	-44.7	176.5	-74.4	170.4	0	0	0	112	A176 D177 H182 L183 N184	A176-L180 PolarHBondContact O-N 2.76Å; D177-L180 PolarHBondContact O-N 3.01Å; L180-H182 VanDerWaalsContact C-N 3.32Å; L180-H182 PolarHBondContact O-N 3.15Å; L180-L183 PolarHBondContact O-N 3.17Å; L180-N184 PolarHBondContact O-N 3.16Å
181	M	89.8	Confident	90.1	Very high	141 Å²	141	87.6 Å²	87.6	70%	0.695	45%	0.445	S	S	*	.	H	α-helix	trans	-61	-37.9	175.2	-71	-161.7	82.3	0	0	113	D177 V179 N184 S185	D177-M181 WeakPolarHBondContact O-CG 3.49Å; D177-M181 PolarHBondContact O-N 3.39Å; V179-M181 PolarHBondContact O-N 3.32Å; M181-N184 PolarHBondContact O-N 3.22Å; M181-S185 PolarHBondContact O-N 3.32Å; M181-S185 VanDerWaalsContact O-N 3.07Å
182	H	91.3	Very high	90.2	Very high	133 Å²	133	88.3 Å²	88.3	62%	0.616	45%	0.446	S	S	*	.	H	α-helix	trans	-68.6	-41.1	175	-75.3	80.6	0	0	0	111.7	S178 V179 L180 N184 S185 L186	S178-H182 PolarHBondContact O-N 3.32Å; S178-H182 VanDerWaalsContact O-N 3.12Å; S178-H182 PolarHBondContact O-ND1 2.92Å; V179-H182 PolarHBondContact O-N 2.86Å; L180-H182 VanDerWaalsContact C-N 3.32Å; L180-H182 PolarHBondContact O-N 3.15Å; H182-N184 VanDerWaalsContact C-N 3.31Å; H182-N184 PolarHBondContact O-N 2.95Å; H182-S185 WeakPolarHBondContact O-CB 3.45Å; H182-S185 PolarHBondContact O-N 3.05Å; H182-L186 WeakPolarHBondContact O-CG 3.45Å; H182-L186 PolarHBondContact O-N 3.48Å
183	L	92.5	Very high	90.2	Very high	49 Å²	49	85.1 Å²	85.1	26%	0.257	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-37.3	174.6	-70.8	168.9	0	0	0	112.1	V179 L180 L186 R187 V210 Y253	V179-L183 HydrophobicContact CG1-CD1 3.95Å; V179-L183 HydrophobicContact CG1-CG 4.41Å; V179-L183 WeakPolarHBondContact O-CG 3.03Å; V179-L183 PolarHBondContact O-N 3.28Å; L180-L183 PolarHBondContact O-N 3.17Å; L183-L186 PolarHBondContact O-N 3.13Å; L183-R187 PolarHBondContact O-N 3.46Å; L183-V210 HydrophobicContact CD1-CG2 4.12Å; L183-Y253 HydrophobicContact CB-CD1 4.09Å; L183-Y253 HydrophobicContact CB-CE1 4.13Å
184	N	92.1	Very high	90.4	Very high	26 Å²	26	84.6 Å²	84.6	14%	0.139	43%	0.425	C	S	.	.	H	α-helix	trans	-65.5	-42	174.1	-158.6	4.5	0	0	0	111.9	L180 M181 H182 L186 R187 Q188 Y253	L180-N184 PolarHBondContact O-N 3.16Å; M181-N184 PolarHBondContact O-N 3.22Å; H182-N184 VanDerWaalsContact C-N 3.31Å; H182-N184 PolarHBondContact O-N 2.95Å; N184-L186 VanDerWaalsContact C-N 3.34Å; N184-L186 PolarHBondContact O-N 3.03Å; N184-R187 WeakPolarHBondContact O-CB 3.4Å; N184-R187 PolarHBondContact O-N 3.44Å; N184-R187 PolarHBondContact OD1-NE 3.46Å; N184-R187 PolarHBondContact OD1-NH2 3.33Å; N184-Q188 WeakPolarHBondContact O-CG 3.41Å; N184-Q188 PolarHBondContact O-N 3.07Å; N184-Y253 HydrophobicContact CB-CD1 4.35Å; N184-Y253 HydrophobicContact CB-CG 4.42Å
185	S	92.7	Very high	90.4	Very high	49 Å²	49	82.4 Å²	82.4	34%	0.343	41%	0.41	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175.5	-173	0	0	0	0	112.1	M181 H182 Q188 Q189	M181-S185 PolarHBondContact O-N 3.32Å; M181-S185 VanDerWaalsContact O-N 3.07Å; H182-S185 WeakPolarHBondContact O-CB 3.45Å; H182-S185 PolarHBondContact O-N 3.05Å; S185-Q188 PolarHBondContact O-N 2.99Å; S185-Q189 WeakPolarHBondContact O-CB 3.49Å; S185-Q189 VanDerWaalsContact O-CG 3.3Å; S185-Q189 WeakPolarHBondContact O-CG 3.36Å; S185-Q189 PolarHBondContact O-N 2.98Å; S185-Q189 PolarHBondContact OG-NE2 2.87Å; S185-Q189 VanDerWaalsContact OG-NE2 3.11Å
186	L	93.1	Very high	90.5	Very high	51 Å²	51	77.1 Å²	77.1	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-42.3	173	-67.9	172.2	0	0	0	111.9	H182 L183 N184 Q189 R190 L191 F192	H182-L186 WeakPolarHBondContact O-CG 3.45Å; H182-L186 PolarHBondContact O-N 3.48Å; L183-L186 PolarHBondContact O-N 3.13Å; N184-L186 VanDerWaalsContact C-N 3.34Å; N184-L186 PolarHBondContact O-N 3.03Å; L186-Q189 CarbonylContact O-C 3.57Å; L186-Q189 PolarHBondContact O-N 3.1Å; L186-R190 PolarHBondContact O-N 3.48Å; L186-L191 HydrophobicContact CB-CB 4.48Å; L186-L191 HydrophobicContact CD2-CB 3.96Å; L186-L191 HydrophobicContact CD2-CD1 4Å; L186-L191 PolarHBondContact O-N 3.35Å; L186-F192 HydrophobicContact CD1-CD2 4.27Å; L186-F192 HydrophobicContact CD2-CD2 4.15Å; L186-F192 HydrophobicContact CD2-CE2 4.21Å
187	R	92.5	Very high	90.7	Very high	21 Å²	21	74.2 Å²	74.2	8%	0.079	37%	0.368	C	S	.	.	H	α-helix	trans	-57.1	-50.9	174.3	-174.3	-171.3	59.9	136.6	-3.1	111.4	L183 N184 Q189 R190 P205 D250 Y253	L183-R187 PolarHBondContact O-N 3.46Å; N184-R187 WeakPolarHBondContact O-CB 3.4Å; N184-R187 PolarHBondContact O-N 3.44Å; N184-R187 PolarHBondContact OD1-NE 3.46Å; N184-R187 PolarHBondContact OD1-NH2 3.33Å; R187-Q189 VanDerWaalsContact C-N 3.26Å; R187-Q189 PolarHBondContact O-N 2.98Å; R187-R190 PolarHBondContact O-N 2.99Å; R187-P205 WeakPolarHBondContact CG-O 3.47Å; R187-D250 IonicContact CZ-OD1 2.85Å; R187-D250 IonicContact NH1-OD1 2.83Å; R187-D250 PolarHBondContact NH1-OD1 2.7Å; R187-D250 IonicContact NH2-OD1 2.71Å; R187-D250 PolarHBondContact NH2-OD1 2.92Å; R187-Y253 HydrophobicContact CB-CE1 4.46Å
188	Q	90	Very high	90.8	Very high	137 Å²	137	72 Å²	72	64%	0.64	35%	0.354	S	S	*	.	H	α-helix	trans	-61.3	-34.7	179.7	-71.2	174.7	-5.6	0	0	112.4	N184 S185 R190	N184-Q188 WeakPolarHBondContact O-CG 3.41Å; N184-Q188 PolarHBondContact O-N 3.07Å; S185-Q188 PolarHBondContact O-N 2.99Å; Q188-R190 VanDerWaalsContact C-N 3.29Å
189	Q	92.3	Very high	90.8	Very high	118 Å²	118	70 Å²	70	55%	0.551	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.4	174.9	-66.3	174.3	44.3	0	0	113.9	S185 L186 R187 L191	S185-Q189 WeakPolarHBondContact O-CB 3.49Å; S185-Q189 VanDerWaalsContact O-CG 3.3Å; S185-Q189 WeakPolarHBondContact O-CG 3.36Å; S185-Q189 PolarHBondContact O-N 2.98Å; S185-Q189 PolarHBondContact OG-NE2 2.87Å; S185-Q189 VanDerWaalsContact OG-NE2 3.11Å; L186-Q189 CarbonylContact O-C 3.57Å; L186-Q189 PolarHBondContact O-N 3.1Å; R187-Q189 VanDerWaalsContact C-N 3.26Å; R187-Q189 PolarHBondContact O-N 2.98Å; Q189-L191 HydrophobicContact CB-CD1 3.93Å; Q189-L191 HydrophobicContact CB-CG 3.92Å; Q189-L191 PolarHBondContact O-N 3.21Å
190	R	91	Very high	90.5	Very high	181 Å²	181	69.3 Å²	69.3	68%	0.683	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	34.7	-175	-48.8	-174.8	179.8	-173.3	-3.4	113.4	L186 R187 Q188 P205	L186-R190 PolarHBondContact O-N 3.48Å; R187-R190 PolarHBondContact O-N 2.99Å; Q188-R190 VanDerWaalsContact C-N 3.29Å; R190-P205 HydrophobicContact CG-CG 3.96Å
191	L	88.5	Confident	90.1	Very high	75 Å²	75	72.7 Å²	72.7	39%	0.393	37%	0.373	S	S	.	.			trans	-97.8	131.7	177.7	-64.7	176	0	0	0	109.8	L186 Q189 T193 H207	L186-L191 HydrophobicContact CB-CB 4.48Å; L186-L191 HydrophobicContact CD2-CB 3.96Å; L186-L191 HydrophobicContact CD2-CD1 4Å; L186-L191 PolarHBondContact O-N 3.35Å; Q189-L191 HydrophobicContact CB-CD1 3.93Å; Q189-L191 HydrophobicContact CB-CG 3.92Å; Q189-L191 PolarHBondContact O-N 3.21Å; L191-T193 PolarHBondContact O-N 3.27Å; L191-T193 VanDerWaalsContact O-N 3.1Å; L191-H207 PolarHBondContact O-NE2 3.05Å
192	F	88.9	Confident	90.1	Very high	168 Å²	168	70.1 Å²	70.1	74%	0.737	36%	0.355	S	S	*	.	S	Bend	trans	60.4	9.7	179.2	-47.3	-72.4	0	0	0	116.5	L186 H207	L186-F192 HydrophobicContact CD1-CD2 4.27Å; L186-F192 HydrophobicContact CD2-CD2 4.15Å; L186-F192 HydrophobicContact CD2-CE2 4.21Å; F192-H207 PolarHBondContact O-CD2 3.05Å; F192-H207 VanDerWaalsContact O-CD2 3.26Å
193	T	89	Confident	90.1	Very high	39 Å²	39	66.7 Å²	66.7	24%	0.239	35%	0.346	C	S	.	.			trans	-69.7	126.8	172.5	53.4	0	0	0	0	110.9	L191 P205 C206	L191-T193 PolarHBondContact O-N 3.27Å; L191-T193 VanDerWaalsContact O-N 3.1Å; T193-P205 HydrophobicContact CG2-CB 4.14Å; T193-C206 CarbonylContact C-O 3.54Å; T193-C206 VanDerWaalsContact CA-O 3.25Å; T193-C206 WeakPolarHBondContact CA-O 3.43Å; T193-C206 VanDerWaalsContact CB-O 3.27Å; T193-C206 WeakPolarHBondContact CB-O 3.48Å
194	D	90.2	Very high	90.1	Very high	84 Å²	84	65 Å²	65	45%	0.449	34%	0.337	S	S	.	.			trans	-116.8	0.3	-171.7	63.2	-16.5	0	0	0	113.6	C206 H207 R208	D194-C206 PolarHBondContact N-O 2.67Å; D194-C206 VanDerWaalsContact N-O 3.11Å; D194-H207 VanDerWaalsContact OD1-CA 3.25Å; D194-H207 WeakPolarHBondContact OD1-CA 3.5Å; D194-R208 WeakPolarHBondContact OD1-CG 3.21Å; D194-R208 PolarHBondContact OD1-N 3.05Å; D194-R208 WeakPolarHBondContact OD2-CB 3.36Å; D194-R208 WeakPolarHBondContact OD2-CD 3.44Å
195	V	90.3	Very high	90.2	Very high	6 Å²	6	64.9 Å²	64.9	4%	0.036	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.5	172.3	63.9	0	0	0	0	111.2	L197 C206 R208 L211 F222 S232 V234	V195-L197 HydrophobicContact CG2-CD2 4.06Å; V195-C206 HydrophobicContact CG1-CB 4.02Å; V195-C206 PolarHBondContact N-O 3.38Å; V195-C206 PolarHBondContact O-N 3.33Å; V195-R208 HydrophobicContact CB-CG 3.76Å; V195-R208 HydrophobicContact CG1-CG 3.67Å; V195-L211 HydrophobicContact CG1-CD1 4.08Å; V195-F222 HydrophobicContact CG1-CZ 4.34Å; V195-F222 HydrophobicContact CG2-CE1 4.3Å; V195-F222 HydrophobicContact CG2-CZ 4.26Å; V195-S232 WeakPolarHBondContact CA-O 3.37Å; V195-V234 HydrophobicContact CG2-CG2 4.17Å
196	L	91.6	Very high	90.2	Very high	42 Å²	42	62.6 Å²	62.6	22%	0.22	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.4	173.9	-171.5	63.7	0	0	0	108.9	H198 P205 S232 E233 V234	L196-H198 WeakPolarHBondContact CD2-NE2 3.37Å; L196-H198 WeakPolarHBondContact CG-NE2 3.12Å; L196-P205 HydrophobicContact CD1-CB 4.02Å; L196-S232 PolarHBondContact N-O 3.06Å; L196-E233 HydrophobicContact CB-CG 4.28Å; L196-E233 HydrophobicContact CD2-CG 4.42Å; L196-E233 WeakPolarHBondContact O-CA 3.48Å; L196-V234 PolarHBondContact O-N 2.84Å
197	L	91.1	Very high	90.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.4	175.1	-53.7	-176.7	0	0	0	109.8	V195 S203 F204 L211 F218 V234 F236 L245 L249	V195-L197 HydrophobicContact CG2-CD2 4.06Å; L197-S203 CarbonylContact O-C 3.54Å; L197-S203 WeakPolarHBondContact O-CA 3.4Å; L197-F204 HydrophobicContact CB-CB 4.43Å; L197-F204 PolarHBondContact N-O 3.19Å; L197-F204 PolarHBondContact O-N 2.97Å; L197-L211 HydrophobicContact CD1-CD1 4.01Å; L197-F218 HydrophobicContact CD1-CE1 4.31Å; L197-F218 HydrophobicContact CD1-CZ 3.99Å; L197-F218 HydrophobicContact CD2-CE1 4.23Å; L197-V234 CarbonylContact C-O 3.52Å; L197-V234 WeakPolarHBondContact CA-O 3.38Å; L197-V234 HydrophobicContact CD2-CB 3.82Å; L197-V234 HydrophobicContact CD2-CG1 4.42Å; L197-V234 HydrophobicContact CD2-CG2 4.28Å; L197-F236 HydrophobicContact CB-CE2 4.35Å; L197-F236 HydrophobicContact CD1-CE2 4.37Å; L197-F236 HydrophobicContact CD2-CE2 4.27Å; L197-L245 HydrophobicContact CB-CD2 4.37Å; L197-L249 HydrophobicContact CD1-CD1 4.39Å; L197-L249 HydrophobicContact CD1-CD2 3.98Å
198	H	90.1	Very high	90.1	Very high	43 Å²	43	62.1 Å²	62.1	20%	0.199	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.4	176.4	-60.3	-99.6	0	0	0	110.3	L196 R202 V234 D235 F236	L196-H198 WeakPolarHBondContact CD2-NE2 3.37Å; L196-H198 WeakPolarHBondContact CG-NE2 3.12Å; H198-R202 WeakPolarHBondContact CA-O 3.29Å; H198-V234 PolarHBondContact N-O 3.14Å; H198-D235 HydrophobicContact CB-CB 4.19Å; H198-F236 WeakPolarHBondContact O-CD2 3.33Å; H198-F236 PolarHBondContact O-N 3.43Å
199	A	88.4	Confident	90.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	118.5	168.4	0	0	0	0	0	107.8	S201 R202 F204 P242 L245	A199-S201 PolarHBondContact O-N 2.89Å; A199-S201 VanDerWaalsContact O-N 3.09Å; A199-R202 PolarHBondContact N-O 2.89Å; A199-R202 PolarHBondContact O-N 3.34Å; A199-F204 HydrophobicContact CB-CE2 4.49Å; A199-P242 HydrophobicContact CB-CB 4.3Å; A199-P242 HydrophobicContact CB-CG 4.17Å; A199-P242 WeakPolarHBondContact O-CG 3.4Å; A199-L245 HydrophobicContact CB-CD2 3.7Å
200	G	84.1	Confident	90.1	Very high	41 Å²	41	54.5 Å²	54.5	42%	0.423	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	-113.9	-168.6	0	0	0	0	0	112.2	R237	G200-R237 PolarHBondContact N-O 3.35Å
201	S	83.6	Confident	90.1	Very high	123 Å²	123	45.9 Å²	45.9	86%	0.86	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-3.1	-179.4	59.6	0	0	0	0	115.2	A199	A199-S201 PolarHBondContact O-N 2.89Å; A199-S201 VanDerWaalsContact O-N 3.09Å
202	R	90.1	Very high	90.2	Very high	86 Å²	86	43.5 Å²	43.5	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.3	-176.9	-64.1	-175.8	65.9	-164.2	-0.7	111.4	H198 A199 F204 P242 E246	H198-R202 WeakPolarHBondContact CA-O 3.29Å; A199-R202 PolarHBondContact N-O 2.89Å; A199-R202 PolarHBondContact O-N 3.34Å; R202-F204 HydrophobicContact CB-CE2 3.72Å; R202-F204 HydrophobicContact CB-CZ 3.82Å; R202-P242 HydrophobicContact CB-CB 4.14Å; R202-P242 HydrophobicContact CG-CB 4.12Å; R202-E246 IonicContact CZ-OE1 2.67Å; R202-E246 IonicContact CZ-OE2 3.78Å; R202-E246 IonicContact NH1-OE2 3.59Å; R202-E246 PolarHBondContact NH1-OE2 2.96Å; R202-E246 IonicContact NH2-OE1 3.25Å; R202-E246 PolarHBondContact NH2-OE1 2.92Å; R202-E246 IonicContact NH2-OE2 2.71Å; R202-E246 PolarHBondContact NH2-OE2 3.44Å
203	S	91.2	Very high	90.3	Very high	61 Å²	61	39.8 Å²	39.8	43%	0.427	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.6	179.1	63.3	0	0	0	0	111.9	L197	L197-S203 CarbonylContact O-C 3.54Å; L197-S203 WeakPolarHBondContact O-CA 3.4Å
204	F	92.3	Very high	90.4	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.057	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	101.6	-169.3	-58.8	-85.8	0	0	0	110.5	L197 A199 R202 C206 P242 L245 E246 L249	L197-F204 HydrophobicContact CB-CB 4.43Å; L197-F204 PolarHBondContact N-O 3.19Å; L197-F204 PolarHBondContact O-N 2.97Å; A199-F204 HydrophobicContact CB-CE2 4.49Å; R202-F204 HydrophobicContact CB-CE2 3.72Å; R202-F204 HydrophobicContact CB-CZ 3.82Å; F204-C206 PolarHBondContact O-N 2.81Å; F204-C206 PolarHBondContact O-SG 3.32Å; F204-P242 WeakPolarHBondContact CZ-O 3.29Å; F204-L245 HydrophobicContact CD2-CD2 3.93Å; F204-L245 HydrophobicContact CD2-CG 4.48Å; F204-L245 HydrophobicContact CE2-CD2 4.11Å; F204-E246 HydrophobicContact CE1-CB 3.8Å; F204-E246 HydrophobicContact CE1-CG 4.1Å; F204-E246 HydrophobicContact CZ-CB 4.14Å; F204-L249 HydrophobicContact CB-CD1 3.53Å; F204-L249 HydrophobicContact CD1-CD1 4.06Å; F204-L249 HydrophobicContact CD2-CD1 4.48Å; F204-L249 HydrophobicContact CG-CD1 3.79Å
205	P	93.1	Very high	90.6	Very high	25 Å²	25	36.2 Å²	36.2	16%	0.162	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.2	177.8	29.5	-32.6	0	0	0	109.5	R187 R190 T193 L196	R187-P205 WeakPolarHBondContact CG-O 3.47Å; R190-P205 HydrophobicContact CG-CG 3.96Å; T193-P205 HydrophobicContact CG2-CB 4.14Å; L196-P205 HydrophobicContact CD1-CB 4.02Å
206	C	93.3	Very high	90.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	174.6	-171.2	-61.4	0	0	0	0	111.8	T193 D194 V195 F204 L211	T193-C206 CarbonylContact C-O 3.54Å; T193-C206 VanDerWaalsContact CA-O 3.25Å; T193-C206 WeakPolarHBondContact CA-O 3.43Å; T193-C206 VanDerWaalsContact CB-O 3.27Å; T193-C206 WeakPolarHBondContact CB-O 3.48Å; D194-C206 PolarHBondContact N-O 2.67Å; D194-C206 VanDerWaalsContact N-O 3.11Å; V195-C206 HydrophobicContact CG1-CB 4.02Å; V195-C206 PolarHBondContact N-O 3.38Å; V195-C206 PolarHBondContact O-N 3.33Å; F204-C206 PolarHBondContact O-N 2.81Å; F204-C206 PolarHBondContact O-SG 3.32Å; C206-L211 HydrophobicContact CB-CD1 3.84Å; C206-L211 HydrophobicContact CB-CG 4.37Å
207	H	92.8	Very high	90.6	Very high	16 Å²	16	44.9 Å²	44.9	7%	0.074	27%	0.267	C	S	.	.			trans	-111.4	118.9	174.3	-52.7	82.9	0	0	0	109.8	L191 F192 D194 A209 V210 L211 Y253	L191-H207 PolarHBondContact O-NE2 3.05Å; F192-H207 PolarHBondContact O-CD2 3.05Å; F192-H207 VanDerWaalsContact O-CD2 3.26Å; D194-H207 VanDerWaalsContact OD1-CA 3.25Å; D194-H207 WeakPolarHBondContact OD1-CA 3.5Å; H207-A209 PolarHBondContact O-N 3.03Å; H207-V210 HydrophobicContact CB-CB 4.42Å; H207-V210 HydrophobicContact CB-CG2 4.07Å; H207-V210 PolarHBondContact O-N 3.01Å; H207-L211 PolarHBondContact O-N 3.07Å; H207-Y253 VanDerWaalsContact CB-OH 3.28Å; H207-Y253 WeakPolarHBondContact CB-OH 3.48Å; H207-Y253 PolarHBondContact N-OH 3.26Å; H207-Y253 AromaticContact ND1-CE1 3.69Å; H207-Y253 AromaticContact ND1-CZ 3.66Å; H207-Y253 PolarHBondContact ND1-OH 3.27Å
208	R	90.7	Very high	90.5	Very high	46 Å²	46	44.9 Å²	44.9	17%	0.174	27%	0.267	C	S	.	.	H	α-helix	trans	-52	-41.5	179.9	-71.1	173.2	153.2	-129	-2.1	112.5	D194 V195 V210 L211 A212 F222 E228 S229 A231	D194-R208 WeakPolarHBondContact OD1-CG 3.21Å; D194-R208 PolarHBondContact OD1-N 3.05Å; D194-R208 WeakPolarHBondContact OD2-CB 3.36Å; D194-R208 WeakPolarHBondContact OD2-CD 3.44Å; V195-R208 HydrophobicContact CB-CG 3.76Å; V195-R208 HydrophobicContact CG1-CG 3.67Å; R208-V210 VanDerWaalsContact C-N 3.31Å; R208-V210 PolarHBondContact O-N 3.09Å; R208-L211 PolarHBondContact O-N 3.38Å; R208-A212 VanDerWaalsContact O-CB 3.3Å; R208-A212 WeakPolarHBondContact O-CB 3.36Å; R208-A212 PolarHBondContact O-N 3.16Å; R208-F222 HydrophobicContact CB-CD2 3.84Å; R208-F222 HydrophobicContact CB-CE2 3.94Å; R208-F222 HydrophobicContact CB-CG 4.32Å; R208-F222 HydrophobicContact CB-CZ 4.49Å; R208-F222 HydrophobicContact CG-CD1 4.22Å; R208-F222 HydrophobicContact CG-CD2 4.02Å; R208-F222 HydrophobicContact CG-CE1 4.09Å; R208-F222 HydrophobicContact CG-CE2 3.88Å; R208-F222 HydrophobicContact CG-CG 4.2Å; R208-F222 HydrophobicContact CG-CZ 3.93Å; R208-E228 PolarHBondContact NH2-O 2.95Å; R208-S229 VanDerWaalsContact CZ-O 3.3Å; R208-S229 PolarHBondContact NH1-O 2.65Å; R208-S229 PolarHBondContact NH2-O 3.25Å; R208-A231 PolarHBondContact NH2-O 3.14Å
209	A	89.8	Confident	90.5	Very high	77 Å²	77	46.6 Å²	46.6	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-63.2	-32.3	-180	0	0	0	0	0	113.8	H207 A213	H207-A209 PolarHBondContact O-N 3.03Å; A209-A213 VanDerWaalsContact O-CB 3.29Å; A209-A213 WeakPolarHBondContact O-CB 3.43Å; A209-A213 PolarHBondContact O-N 2.62Å
210	V	91.8	Very high	90.5	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-78.4	-42.9	177.4	178.6	0	0	0	0	110.3	L183 H207 R208 A213 C214 A252 Y253	L183-V210 HydrophobicContact CD1-CG2 4.12Å; H207-V210 HydrophobicContact CB-CB 4.42Å; H207-V210 HydrophobicContact CB-CG2 4.07Å; H207-V210 PolarHBondContact O-N 3.01Å; R208-V210 VanDerWaalsContact C-N 3.31Å; R208-V210 PolarHBondContact O-N 3.09Å; V210-A213 PolarHBondContact O-N 2.93Å; V210-C214 WeakPolarHBondContact O-CB 3.37Å; V210-C214 PolarHBondContact O-N 2.78Å; V210-C214 VanDerWaalsContact O-N 3.14Å; V210-A252 WeakPolarHBondContact CG1-O 3.49Å; V210-Y253 HydrophobicContact CB-CE1 3.98Å; V210-Y253 HydrophobicContact CG1-CD1 4.13Å; V210-Y253 HydrophobicContact CG1-CE1 3.74Å; V210-Y253 HydrophobicContact CG1-CE2 4.13Å; V210-Y253 HydrophobicContact CG1-CG 4.49Å; V210-Y253 HydrophobicContact CG2-CE1 3.81Å
211	L	91.7	Very high	90.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-47.4	177.1	-63.6	179.4	0	0	0	111.9	V195 L197 C206 H207 R208 A213 C214 S215 F218 F222 L249	V195-L211 HydrophobicContact CG1-CD1 4.08Å; L197-L211 HydrophobicContact CD1-CD1 4.01Å; C206-L211 HydrophobicContact CB-CD1 3.84Å; C206-L211 HydrophobicContact CB-CG 4.37Å; H207-L211 PolarHBondContact O-N 3.07Å; R208-L211 PolarHBondContact O-N 3.38Å; L211-A213 VanDerWaalsContact C-N 3.28Å; L211-A213 PolarHBondContact O-N 3.37Å; L211-C214 PolarHBondContact O-N 3.21Å; L211-C214 VanDerWaalsContact O-N 3.17Å; L211-S215 PolarHBondContact O-N 3.47Å; L211-F218 HydrophobicContact CB-CB 3.91Å; L211-F218 HydrophobicContact CB-CD2 3.95Å; L211-F218 HydrophobicContact CB-CG 3.89Å; L211-F218 HydrophobicContact CD1-CD1 4.44Å; L211-F218 HydrophobicContact CD1-CE1 4.48Å; L211-F218 HydrophobicContact CD2-CD2 4.41Å; L211-F218 HydrophobicContact CD2-CE2 4.37Å; L211-F222 HydrophobicContact CB-CE2 4.08Å; L211-F222 HydrophobicContact CD1-CE2 4.25Å; L211-F222 HydrophobicContact CD1-CZ 4.35Å; L211-L249 HydrophobicContact CD2-CD2 3.52Å
212	A	91.2	Very high	90.7	Very high	25 Å²	25	44.1 Å²	44.1	21%	0.207	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-27	176.5	0	0	0	0	0	113.7	R208 E219 F222	R208-A212 VanDerWaalsContact O-CB 3.3Å; R208-A212 WeakPolarHBondContact O-CB 3.36Å; R208-A212 PolarHBondContact O-N 3.16Å; A212-E219 HydrophobicContact CB-CB 4.13Å; A212-E219 HydrophobicContact CB-CG 4.47Å; A212-F222 HydrophobicContact CB-CD2 4.37Å
213	A	90.8	Very high	90.5	Very high	89 Å²	89	44.3 Å²	44.3	74%	0.736	26%	0.263	S	S	*	.	H	α-helix	trans	-76.1	-25.6	174.7	0	0	0	0	0	112.8	A209 V210 L211	A209-A213 VanDerWaalsContact O-CB 3.29Å; A209-A213 WeakPolarHBondContact O-CB 3.43Å; A209-A213 PolarHBondContact O-N 2.62Å; V210-A213 PolarHBondContact O-N 2.93Å; L211-A213 VanDerWaalsContact C-N 3.28Å; L211-A213 PolarHBondContact O-N 3.37Å
214	C	90.8	Very high	89.5	Confident	47 Å²	47	43.7 Å²	43.7	32%	0.318	27%	0.266	S	S	.	.	H	α-helix	trans	-101.5	-28.6	-174.1	-166.4	0	0	0	0	113.5	V210 L211 A252 F276	V210-C214 WeakPolarHBondContact O-CB 3.37Å; V210-C214 PolarHBondContact O-N 2.78Å; V210-C214 VanDerWaalsContact O-N 3.14Å; L211-C214 PolarHBondContact O-N 3.21Å; L211-C214 VanDerWaalsContact O-N 3.17Å; C214-A252 HydrophobicContact CB-CB 4.24Å; C214-F276 HydrophobicContact CB-CE1 4.31Å; C214-F276 VanDerWaalsContact SG-CE1 3.59Å
215	S	93.2	Very high	88.3	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.014	30%	0.295	C	S	.	.			trans	-134.4	131.9	-177.7	145.9	0	0	0	0	111.6	L211 Y217 F218 E219 L274	L211-S215 PolarHBondContact O-N 3.47Å; S215-Y217 PolarHBondContact OG-N 3.06Å; S215-F218 PolarHBondContact O-N 3.46Å; S215-F218 WeakPolarHBondContact OG-CD2 3.42Å; S215-F218 PolarHBondContact OG-N 3.03Å; S215-E219 PolarHBondContact O-N 2.93Å; S215-L274 WeakPolarHBondContact CB-O 3.32Å; S215-L274 PolarHBondContact OG-O 3.16Å
216	R	90.8	Very high	87.2	Confident	155 Å²	155	50.9 Å²	50.9	59%	0.585	32%	0.319	S	S	*	.	H	α-helix	trans	-71.1	-32.1	179.8	-68.2	-62.4	176.1	-169.3	-9.2	112.5	E219 A220 E275	R216-E219 WeakPolarHBondContact CD-OE2 3.39Å; R216-E219 IonicContact CZ-OE2 2.89Å; R216-E219 IonicContact NE-OE2 3.78Å; R216-E219 VanDerWaalsContact NH1-CD 3.32Å; R216-E219 IonicContact NH1-OE1 3.02Å; R216-E219 PolarHBondContact NH1-OE1 3.37Å; R216-E219 IonicContact NH1-OE2 2.58Å; R216-E219 PolarHBondContact NH1-OE2 3.22Å; R216-E219 PolarHBondContact O-N 2.79Å; R216-A220 WeakPolarHBondContact O-CB 3.37Å; R216-A220 PolarHBondContact O-N 2.89Å; R216-E275 HydrophobicContact CB-CB 4.26Å; R216-E275 WeakPolarHBondContact CB-OE2 3.37Å
217	Y	91.2	Very high	85.8	Confident	74 Å²	74	61.4 Å²	61.4	29%	0.29	36%	0.358	S	S	.	.	H	α-helix	trans	-56.6	-49.7	169.1	175.8	-94.3	0	0	0	111.9	S215 A220 M221 F236 L274 E275	S215-Y217 PolarHBondContact OG-N 3.06Å; Y217-A220 PolarHBondContact O-N 3.07Å; Y217-M221 HydrophobicContact CD1-CE 4.39Å; Y217-M221 HydrophobicContact CE1-CE 3.39Å; Y217-M221 WeakPolarHBondContact O-CB 3.47Å; Y217-M221 PolarHBondContact O-N 3.36Å; Y217-M221 VanDerWaalsContact OH-CE 3.27Å; Y217-M221 WeakPolarHBondContact OH-CE 3.39Å; Y217-F236 HydrophobicContact CE1-CE1 4.18Å; Y217-F236 HydrophobicContact CE1-CZ 4.42Å; Y217-L274 WeakPolarHBondContact CB-O 3.29Å; Y217-L274 HydrophobicContact CD1-CD2 3.51Å; Y217-L274 HydrophobicContact CE1-CD2 3.43Å; Y217-L274 VanDerWaalsContact CE1-CD2 3.43Å; Y217-L274 HydrophobicContact CG-CD2 4.22Å; Y217-E275 PolarHBondContact N-OE2 3.44Å
218	F	90.3	Very high	84.6	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-35.5	178	-74.2	-59.5	0	0	0	112.7	L197 L211 S215 M221 F222 F236 L274 F276	L197-F218 HydrophobicContact CD1-CE1 4.31Å; L197-F218 HydrophobicContact CD1-CZ 3.99Å; L197-F218 HydrophobicContact CD2-CE1 4.23Å; L211-F218 HydrophobicContact CB-CB 3.91Å; L211-F218 HydrophobicContact CB-CD2 3.95Å; L211-F218 HydrophobicContact CB-CG 3.89Å; L211-F218 HydrophobicContact CD1-CD1 4.44Å; L211-F218 HydrophobicContact CD1-CE1 4.48Å; L211-F218 HydrophobicContact CD2-CD2 4.41Å; L211-F218 HydrophobicContact CD2-CE2 4.37Å; S215-F218 PolarHBondContact O-N 3.46Å; S215-F218 WeakPolarHBondContact OG-CD2 3.42Å; S215-F218 PolarHBondContact OG-N 3.03Å; F218-M221 HydrophobicContact CD1-SD 4.35Å; F218-M221 PolarHBondContact O-N 2.97Å; F218-F222 HydrophobicContact CB-CD2 4.31Å; F218-F222 HydrophobicContact CB-CE2 3.91Å; F218-F222 HydrophobicContact CD1-CE2 4.01Å; F218-F222 AromaticContact CD1-CZ 3.92Å; F218-F222 HydrophobicContact CD1-CZ 3.92Å; F218-F222 HydrophobicContact CG-CE2 4.3Å; F218-F222 WeakPolarHBondContact O-CD2 3.21Å; F218-F222 WeakPolarHBondContact O-CG 3.38Å; F218-F222 PolarHBondContact O-N 3.18Å; F218-F236 AromaticContact CE1-CZ 3.95Å; F218-F236 HydrophobicContact CE1-CZ 3.95Å; F218-F236 HydrophobicContact CZ-CE2 4.44Å; F218-F236 AromaticContact CZ-CZ 3.94Å; F218-F236 HydrophobicContact CZ-CZ 3.94Å; F218-L274 HydrophobicContact CE2-CD1 4.32Å; F218-L274 HydrophobicContact CZ-CD1 4.33Å; F218-L274 HydrophobicContact CZ-CD2 4.32Å; F218-F276 HydrophobicContact CD2-CE2 4.44Å; F218-F276 HydrophobicContact CE2-CE2 4.08Å; F218-F276 HydrophobicContact CE2-CZ 4.33Å
219	E	89.9	Confident	83.6	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-58.2	-48.7	171.8	-169.8	-175.5	-149.4	0	0	111.2	A212 S215 R216 S223	A212-E219 HydrophobicContact CB-CB 4.13Å; A212-E219 HydrophobicContact CB-CG 4.47Å; S215-E219 PolarHBondContact O-N 2.93Å; R216-E219 WeakPolarHBondContact CD-OE2 3.39Å; R216-E219 IonicContact CZ-OE2 2.89Å; R216-E219 IonicContact NE-OE2 3.78Å; R216-E219 VanDerWaalsContact NH1-CD 3.32Å; R216-E219 IonicContact NH1-OE1 3.02Å; R216-E219 PolarHBondContact NH1-OE1 3.37Å; R216-E219 IonicContact NH1-OE2 2.58Å; R216-E219 PolarHBondContact NH1-OE2 3.22Å; R216-E219 PolarHBondContact O-N 2.79Å; E219-S223 WeakPolarHBondContact O-CB 3.39Å; E219-S223 PolarHBondContact O-N 3.47Å; E219-S223 PolarHBondContact O-OG 3.19Å
220	A	87.9	Confident	82.6	Confident	57 Å²	57	68.6 Å²	68.6	47%	0.471	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-44.2	177.3	0	0	0	0	0	112.2	R216 Y217 F222 S223 G224	R216-A220 WeakPolarHBondContact O-CB 3.37Å; R216-A220 PolarHBondContact O-N 2.89Å; Y217-A220 PolarHBondContact O-N 3.07Å; A220-F222 PolarHBondContact O-N 3.43Å; A220-S223 PolarHBondContact O-N 2.93Å; A220-G224 WeakPolarHBondContact O-CA 3.49Å; A220-G224 PolarHBondContact O-N 3.08Å
221	M	86.5	Confident	81.9	Confident	27 Å²	27	69.1 Å²	69.1	13%	0.133	39%	0.389	C	S	.	.	H	α-helix	trans	-59.3	-46.1	177.8	-178.9	-176.4	-74.4	0	0	112.4	Y217 F218 E228 V234	Y217-M221 HydrophobicContact CD1-CE 4.39Å; Y217-M221 HydrophobicContact CE1-CE 3.39Å; Y217-M221 WeakPolarHBondContact O-CB 3.47Å; Y217-M221 PolarHBondContact O-N 3.36Å; Y217-M221 VanDerWaalsContact OH-CE 3.27Å; Y217-M221 WeakPolarHBondContact OH-CE 3.39Å; F218-M221 HydrophobicContact CD1-SD 4.35Å; F218-M221 PolarHBondContact O-N 2.97Å; M221-E228 HydrophobicContact CG-CB 4.06Å; M221-V234 HydrophobicContact CE-CG1 4.05Å; M221-V234 HydrophobicContact SD-CG1 4.01Å; M221-V234 HydrophobicContact SD-CG2 3.95Å
222	F	86.6	Confident	81.3	Confident	29 Å²	29	72.9 Å²	72.9	13%	0.127	42%	0.415	C	S	.	.	H	α-helix	trans	-82.7	-23.6	-176.5	-58.2	-39	0	0	0	113.6	V195 R208 L211 A212 F218 A220	V195-F222 HydrophobicContact CG1-CZ 4.34Å; V195-F222 HydrophobicContact CG2-CE1 4.3Å; V195-F222 HydrophobicContact CG2-CZ 4.26Å; R208-F222 HydrophobicContact CB-CD2 3.84Å; R208-F222 HydrophobicContact CB-CE2 3.94Å; R208-F222 HydrophobicContact CB-CG 4.32Å; R208-F222 HydrophobicContact CB-CZ 4.49Å; R208-F222 HydrophobicContact CG-CD1 4.22Å; R208-F222 HydrophobicContact CG-CD2 4.02Å; R208-F222 HydrophobicContact CG-CE1 4.09Å; R208-F222 HydrophobicContact CG-CE2 3.88Å; R208-F222 HydrophobicContact CG-CG 4.2Å; R208-F222 HydrophobicContact CG-CZ 3.93Å; L211-F222 HydrophobicContact CB-CE2 4.08Å; L211-F222 HydrophobicContact CD1-CE2 4.25Å; L211-F222 HydrophobicContact CD1-CZ 4.35Å; A212-F222 HydrophobicContact CB-CD2 4.37Å; F218-F222 HydrophobicContact CB-CD2 4.31Å; F218-F222 HydrophobicContact CB-CE2 3.91Å; F218-F222 HydrophobicContact CD1-CE2 4.01Å; F218-F222 AromaticContact CD1-CZ 3.92Å; F218-F222 HydrophobicContact CD1-CZ 3.92Å; F218-F222 HydrophobicContact CG-CE2 4.3Å; F218-F222 WeakPolarHBondContact O-CD2 3.21Å; F218-F222 WeakPolarHBondContact O-CG 3.38Å; F218-F222 PolarHBondContact O-N 3.18Å; A220-F222 PolarHBondContact O-N 3.43Å
223	S	84.1	Confident	81.1	Confident	90 Å²	90	77.5 Å²	77.5	63%	0.629	43%	0.433	S	S	*	.	H	α-helix	trans	-92.9	-23.1	178.1	64.8	0	0	0	0	114.6	E219 A220 G225	E219-S223 WeakPolarHBondContact O-CB 3.39Å; E219-S223 PolarHBondContact O-N 3.47Å; E219-S223 PolarHBondContact O-OG 3.19Å; A220-S223 PolarHBondContact O-N 2.93Å; S223-G225 PolarHBondContact O-N 2.73Å
224	G	71.6	Confident	80.9	Confident	47 Å²	47	74 Å²	74	49%	0.485	40%	0.402	S	S	.	.	S	Bend	trans	-70.2	-0	-166.8	0	0	0	0	0	117.5	A220 L226	A220-G224 WeakPolarHBondContact O-CA 3.49Å; A220-G224 PolarHBondContact O-N 3.08Å; G224-L226 PolarHBondContact O-N 2.97Å
225	G	66.1	Low	80.6	Confident	66 Å²	66	76 Å²	76	68%	0.68	41%	0.41	S	S	*	.			trans	67.9	3.7	176.5	0	0	0	0	0	116.2	S223 S229	S223-G225 PolarHBondContact O-N 2.73Å; G225-S229 WeakPolarHBondContact CA-OG 3.39Å
226	L	71.1	Confident	80.2	Confident	124 Å²	124	76.7 Å²	76.7	65%	0.649	41%	0.412	S	S	*	.	S	Bend	trans	-76.7	176.7	176.9	-66.4	167.2	0	0	0	111.5	G224 E228 S229	G224-L226 PolarHBondContact O-N 2.97Å; L226-E228 VanDerWaalsContact CB-OE2 3.31Å; L226-E228 WeakPolarHBondContact CB-OE2 3.19Å; L226-E228 PolarHBondContact O-N 2.95Å; L226-S229 VanDerWaalsContact O-CB 3.32Å; L226-S229 WeakPolarHBondContact O-CB 3.36Å; L226-S229 PolarHBondContact O-N 3.12Å; L226-S229 PolarHBondContact O-OG 3.2Å
227	R	64.1	Low	79.7	Confident	221 Å²	221	77.7 Å²	77.7	83%	0.834	42%	0.416	S	S	*	.	H	α-helix	trans	-59.3	-35.7	-176.3	-78.9	176.6	61.9	-173.9	-4	112.4	S229 Q230 A231	R227-S229 VanDerWaalsContact C-N 3.25Å; R227-S229 PolarHBondContact O-N 3.16Å; R227-Q230 PolarHBondContact O-N 2.95Å; R227-Q230 VanDerWaalsContact O-N 3.09Å; R227-A231 PolarHBondContact O-N 3.43Å; R227-A231 VanDerWaalsContact O-N 3.16Å
228	E	66.9	Low	79.1	Confident	95 Å²	95	81.6 Å²	81.6	44%	0.444	44%	0.442	S	S	.	.	H	α-helix	trans	-60.7	-34	178	-62.2	67	-147.1	0	0	111.1	R208 M221 L226 Q230 A231	R208-E228 PolarHBondContact NH2-O 2.95Å; M221-E228 HydrophobicContact CG-CB 4.06Å; L226-E228 VanDerWaalsContact CB-OE2 3.31Å; L226-E228 WeakPolarHBondContact CB-OE2 3.19Å; L226-E228 PolarHBondContact O-N 2.95Å; E228-Q230 PolarHBondContact O-N 3.3Å; E228-A231 PolarHBondContact O-N 3.37Å; E228-A231 VanDerWaalsContact O-N 3.14Å
229	S	69.4	Low	78.7	Confident	17 Å²	17	85.1 Å²	85.1	12%	0.119	47%	0.467	C	S	.	.	H	α-helix	trans	-63.3	-23.8	175.5	76.2	0	0	0	0	113.3	R208 G225 L226 R227	R208-S229 VanDerWaalsContact CZ-O 3.3Å; R208-S229 PolarHBondContact NH1-O 2.65Å; R208-S229 PolarHBondContact NH2-O 3.25Å; G225-S229 WeakPolarHBondContact CA-OG 3.39Å; L226-S229 VanDerWaalsContact O-CB 3.32Å; L226-S229 WeakPolarHBondContact O-CB 3.36Å; L226-S229 PolarHBondContact O-N 3.12Å; L226-S229 PolarHBondContact O-OG 3.2Å; R227-S229 VanDerWaalsContact C-N 3.25Å; R227-S229 PolarHBondContact O-N 3.16Å
230	Q	69.4	Low	78.6	Confident	177 Å²	177	81.9 Å²	81.9	83%	0.827	45%	0.452	S	S	*	.	H	α-helix	trans	-106.8	-1.9	175.1	-60.8	-160.2	5.6	0	0	113.8	R227 E228	R227-Q230 PolarHBondContact O-N 2.95Å; R227-Q230 VanDerWaalsContact O-N 3.09Å; E228-Q230 PolarHBondContact O-N 3.3Å
231	A	76.9	Confident	78.7	Confident	31 Å²	31	85.2 Å²	85.2	26%	0.256	46%	0.458	S	S	.	.			trans	-73.6	132.3	176.2	0	0	0	0	0	111.1	R208 R227 E228 E233	R208-A231 PolarHBondContact NH2-O 3.14Å; R227-A231 PolarHBondContact O-N 3.43Å; R227-A231 VanDerWaalsContact O-N 3.16Å; E228-A231 PolarHBondContact O-N 3.37Å; E228-A231 VanDerWaalsContact O-N 3.14Å; A231-E233 VanDerWaalsContact C-N 3.32Å
232	S	79.6	Confident	79	Confident	79 Å²	79	85.3 Å²	85.3	55%	0.552	46%	0.46	S	S	*	.	S	Bend	trans	-79.8	-17.7	169.9	52.4	0	0	0	0	112.8	V195 L196	V195-S232 WeakPolarHBondContact CA-O 3.37Å; L196-S232 PolarHBondContact N-O 3.06Å
233	E	86.8	Confident	79.2	Confident	121 Å²	121	90.9 Å²	90.9	57%	0.565	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	133	-176.4	-62	-180	169.9	0	0	109.2	L196 A231	L196-E233 HydrophobicContact CB-CG 4.28Å; L196-E233 HydrophobicContact CD2-CG 4.42Å; L196-E233 WeakPolarHBondContact O-CA 3.48Å; A231-E233 VanDerWaalsContact C-N 3.32Å
234	V	86.3	Confident	79.7	Confident	17 Å²	17	87 Å²	87	10%	0.103	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.9	176	179.9	0	0	0	0	107.7	V195 L196 L197 H198 M221 F236	V195-V234 HydrophobicContact CG2-CG2 4.17Å; L196-V234 PolarHBondContact O-N 2.84Å; L197-V234 CarbonylContact C-O 3.52Å; L197-V234 WeakPolarHBondContact CA-O 3.38Å; L197-V234 HydrophobicContact CD2-CB 3.82Å; L197-V234 HydrophobicContact CD2-CG1 4.42Å; L197-V234 HydrophobicContact CD2-CG2 4.28Å; H198-V234 PolarHBondContact N-O 3.14Å; M221-V234 HydrophobicContact CE-CG1 4.05Å; M221-V234 HydrophobicContact SD-CG1 4.01Å; M221-V234 HydrophobicContact SD-CG2 3.95Å; V234-F236 HydrophobicContact CG1-CE2 4.23Å; V234-F236 HydrophobicContact CG1-CZ 4.07Å
235	D	85.2	Confident	80.7	Confident	88 Å²	88	84.8 Å²	84.8	47%	0.471	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.7	-173.2	176.8	27.1	0	0	0	111.5	H198 R237	H198-D235 HydrophobicContact CB-CB 4.19Å; D235-R237 WeakPolarHBondContact OD1-CA 3.32Å; D235-R237 PolarHBondContact OD1-N 2.95Å; D235-R237 WeakPolarHBondContact OD2-CG 3.36Å; D235-R237 IonicContact OD2-NE 3.75Å
236	F	84.1	Confident	82	Confident	16 Å²	16	84.7 Å²	84.7	7%	0.07	42%	0.418	C	S	.	.			trans	-87.7	-6.3	175.6	-62.3	-74.3	0	0	0	112.7	L197 H198 Y217 F218 V234 D238 S239 I240 L245 L274	L197-F236 HydrophobicContact CB-CE2 4.35Å; L197-F236 HydrophobicContact CD1-CE2 4.37Å; L197-F236 HydrophobicContact CD2-CE2 4.27Å; H198-F236 WeakPolarHBondContact O-CD2 3.33Å; H198-F236 PolarHBondContact O-N 3.43Å; Y217-F236 HydrophobicContact CE1-CE1 4.18Å; Y217-F236 HydrophobicContact CE1-CZ 4.42Å; F218-F236 AromaticContact CE1-CZ 3.95Å; F218-F236 HydrophobicContact CE1-CZ 3.95Å; F218-F236 HydrophobicContact CZ-CE2 4.44Å; F218-F236 AromaticContact CZ-CZ 3.94Å; F218-F236 HydrophobicContact CZ-CZ 3.94Å; V234-F236 HydrophobicContact CG1-CE2 4.23Å; V234-F236 HydrophobicContact CG1-CZ 4.07Å; F236-D238 PolarHBondContact O-N 3.5Å; F236-S239 WeakPolarHBondContact O-CB 3.45Å; F236-S239 PolarHBondContact O-N 3.23Å; F236-S239 PolarHBondContact O-OG 3Å; F236-S239 VanDerWaalsContact O-OG 3.07Å; F236-I240 HydrophobicContact CB-CD1 4.1Å; F236-I240 HydrophobicContact CB-CG1 4.18Å; F236-I240 HydrophobicContact CD1-CD1 3.74Å; F236-I240 HydrophobicContact CD1-CG1 4.47Å; F236-I240 HydrophobicContact CD2-CD1 4.21Å; F236-I240 HydrophobicContact CE1-CD1 4.2Å; F236-I240 HydrophobicContact CG-CD1 3.75Å; F236-I240 HydrophobicContact CG-CG1 4.37Å; F236-L245 HydrophobicContact CD2-CD2 4.1Å; F236-L245 HydrophobicContact CE2-CD2 4.41Å; F236-L274 HydrophobicContact CE1-CD2 3.74Å; F236-L274 HydrophobicContact CZ-CD2 3.99Å
237	R	80.9	Confident	83.1	Confident	176 Å²	176	81 Å²	81	66%	0.664	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	-123.5	-178.3	-57.7	178.3	-179.9	176.7	2.5	110.9	G200 D235	G200-R237 PolarHBondContact N-O 3.35Å; D235-R237 WeakPolarHBondContact OD1-CA 3.32Å; D235-R237 PolarHBondContact OD1-N 2.95Å; D235-R237 WeakPolarHBondContact OD2-CG 3.36Å; D235-R237 IonicContact OD2-NE 3.75Å
238	D	77	Confident	84.5	Confident	157 Å²	157	70.5 Å²	70.5	84%	0.84	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	8.6	-178.9	-50.9	-51.6	0	0	0	113	F236 I240	F236-D238 PolarHBondContact O-N 3.5Å; D238-I240 VanDerWaalsContact C-N 3.35Å
239	S	82.5	Confident	85.8	Confident	75 Å²	75	66 Å²	66	52%	0.524	34%	0.338	S	S	.	.	S	Bend	trans	-82	-9.3	-177.6	85	0	0	0	0	114.4	F236	F236-S239 WeakPolarHBondContact O-CB 3.45Å; F236-S239 PolarHBondContact O-N 3.23Å; F236-S239 PolarHBondContact O-OG 3Å; F236-S239 VanDerWaalsContact O-OG 3.07Å
240	I	88.6	Confident	86.9	Confident	9 Å²	9	68 Å²	68	5%	0.046	35%	0.347	C	S	.	.	S	Bend	trans	-140.7	130.8	175.4	-47.6	178.8	0	0	0	108.7	F236 D238 V244 L245 A270 M273 L274	F236-I240 HydrophobicContact CB-CD1 4.1Å; F236-I240 HydrophobicContact CB-CG1 4.18Å; F236-I240 HydrophobicContact CD1-CD1 3.74Å; F236-I240 HydrophobicContact CD1-CG1 4.47Å; F236-I240 HydrophobicContact CD2-CD1 4.21Å; F236-I240 HydrophobicContact CE1-CD1 4.2Å; F236-I240 HydrophobicContact CG-CD1 3.75Å; F236-I240 HydrophobicContact CG-CG1 4.37Å; D238-I240 VanDerWaalsContact C-N 3.35Å; I240-V244 HydrophobicContact CG2-CB 4.33Å; I240-V244 HydrophobicContact CG2-CG1 4.41Å; I240-L245 HydrophobicContact CG2-CB 4.05Å; I240-A270 HydrophobicContact CG2-CB 3.98Å; I240-M273 HydrophobicContact CD1-CE 3.47Å; I240-M273 VanDerWaalsContact CD1-CE 3.47Å; I240-M273 HydrophobicContact CG1-CE 3.45Å; I240-M273 VanDerWaalsContact CG1-CE 3.45Å; I240-L274 HydrophobicContact CD1-CD1 3.71Å; I240-L274 HydrophobicContact CD1-CD2 4.35Å; I240-L274 HydrophobicContact CD1-CG 4.17Å
241	H	90.2	Very high	88.1	Confident	127 Å²	127	61.5 Å²	61.5	59%	0.588	32%	0.316	S	S	*	.			trans	-62.1	131.2	170.6	-81.2	-74.3	0	0	0	110.8	E243 V244 L245	H241-E243 PolarHBondContact O-N 2.82Å; H241-E243 VanDerWaalsContact O-N 3.1Å; H241-V244 HydrophobicContact CB-CB 4.34Å; H241-V244 HydrophobicContact CB-CG2 3.91Å; H241-V244 WeakPolarHBondContact O-CB 3.32Å; H241-V244 PolarHBondContact O-N 3.48Å; H241-L245 PolarHBondContact O-N 3.49Å; H241-L245 VanDerWaalsContact O-N 3.08Å
242	P	91.3	Very high	88.8	Confident	30 Å²	30	60.3 Å²	60.3	20%	0.195	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-27.5	-174.1	-27.7	35.8	0	0	0	115	A199 R202 F204 E246	A199-P242 HydrophobicContact CB-CB 4.3Å; A199-P242 HydrophobicContact CB-CG 4.17Å; A199-P242 WeakPolarHBondContact O-CG 3.4Å; R202-P242 HydrophobicContact CB-CB 4.14Å; R202-P242 HydrophobicContact CG-CB 4.12Å; F204-P242 WeakPolarHBondContact CZ-O 3.29Å; P242-E246 WeakPolarHBondContact O-CB 3.46Å; P242-E246 PolarHBondContact O-N 3.24Å; P242-E246 VanDerWaalsContact O-N 3.1Å
243	E	91.9	Very high	89.4	Confident	146 Å²	146	56.6 Å²	56.6	68%	0.682	28%	0.28	S	S	*	.	H	α-helix	trans	-72.7	-36.9	175.6	-63.6	176.2	-170	0	0	111.9	H241 E246 L247	H241-E243 PolarHBondContact O-N 2.82Å; H241-E243 VanDerWaalsContact O-N 3.1Å; E243-E246 PolarHBondContact O-N 3.47Å; E243-L247 WeakPolarHBondContact O-CG 3.43Å; E243-L247 PolarHBondContact O-N 2.92Å
244	V	93.8	Very high	89.6	Confident	8 Å²	8	52.7 Å²	52.7	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-67.2	-44.5	174.7	178.8	0	0	0	0	110.3	I240 H241 E246 L247 L248 L267 A270	I240-V244 HydrophobicContact CG2-CB 4.33Å; I240-V244 HydrophobicContact CG2-CG1 4.41Å; H241-V244 HydrophobicContact CB-CB 4.34Å; H241-V244 HydrophobicContact CB-CG2 3.91Å; H241-V244 WeakPolarHBondContact O-CB 3.32Å; H241-V244 PolarHBondContact O-N 3.48Å; V244-E246 VanDerWaalsContact C-N 3.28Å; V244-E246 PolarHBondContact O-N 2.95Å; V244-L247 PolarHBondContact O-N 3.38Å; V244-L248 HydrophobicContact CG1-CD1 4.43Å; V244-L248 WeakPolarHBondContact O-CG 3.37Å; V244-L248 PolarHBondContact O-N 3.45Å; V244-L267 HydrophobicContact CG1-CB 4.32Å; V244-L267 HydrophobicContact CG1-CD1 3.83Å; V244-A270 HydrophobicContact CG1-CB 3.61Å
245	L	93.1	Very high	89.7	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-39.1	174.8	-176.3	60.8	0	0	0	111.5	L197 A199 F204 F236 I240 H241 L248 L249 L274	L197-L245 HydrophobicContact CB-CD2 4.37Å; A199-L245 HydrophobicContact CB-CD2 3.7Å; F204-L245 HydrophobicContact CD2-CD2 3.93Å; F204-L245 HydrophobicContact CD2-CG 4.48Å; F204-L245 HydrophobicContact CE2-CD2 4.11Å; F236-L245 HydrophobicContact CD2-CD2 4.1Å; F236-L245 HydrophobicContact CE2-CD2 4.41Å; I240-L245 HydrophobicContact CG2-CB 4.05Å; H241-L245 PolarHBondContact O-N 3.49Å; H241-L245 VanDerWaalsContact O-N 3.08Å; L245-L248 PolarHBondContact O-N 3.04Å; L245-L249 HydrophobicContact CD1-CD1 4.49Å; L245-L249 HydrophobicContact CD1-CG 4.37Å; L245-L249 HydrophobicContact CG-CD1 4.15Å; L245-L249 HydrophobicContact CG-CG 4.46Å; L245-L249 WeakPolarHBondContact O-CB 3.37Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.42Å; L245-L274 HydrophobicContact CD1-CD1 4.19Å
246	E	92.9	Very high	90	Very high	64 Å²	64	60.4 Å²	60.4	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-43.3	174.4	-175	162.2	-129.2	0	0	112.2	R202 F204 P242 E243 V244 L249 D250	R202-E246 IonicContact CZ-OE1 2.67Å; R202-E246 IonicContact CZ-OE2 3.78Å; R202-E246 IonicContact NH1-OE2 3.59Å; R202-E246 PolarHBondContact NH1-OE2 2.96Å; R202-E246 IonicContact NH2-OE1 3.25Å; R202-E246 PolarHBondContact NH2-OE1 2.92Å; R202-E246 IonicContact NH2-OE2 2.71Å; R202-E246 PolarHBondContact NH2-OE2 3.44Å; F204-E246 HydrophobicContact CE1-CB 3.8Å; F204-E246 HydrophobicContact CE1-CG 4.1Å; F204-E246 HydrophobicContact CZ-CB 4.14Å; P242-E246 WeakPolarHBondContact O-CB 3.46Å; P242-E246 PolarHBondContact O-N 3.24Å; P242-E246 VanDerWaalsContact O-N 3.1Å; E243-E246 PolarHBondContact O-N 3.47Å; V244-E246 VanDerWaalsContact C-N 3.28Å; V244-E246 PolarHBondContact O-N 2.95Å; E246-L249 PolarHBondContact O-N 3.32Å; E246-D250 WeakPolarHBondContact O-CB 3.5Å; E246-D250 PolarHBondContact O-N 3.26Å
247	L	94.5	Very high	90.5	Very high	45 Å²	45	61.6 Å²	61.6	24%	0.236	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-41.9	175.2	-72.5	170.9	0	0	0	113	E243 V244 D250 Y251 V257 N263	E243-L247 WeakPolarHBondContact O-CG 3.43Å; E243-L247 PolarHBondContact O-N 2.92Å; V244-L247 PolarHBondContact O-N 3.38Å; L247-D250 PolarHBondContact O-N 3.35Å; L247-Y251 WeakPolarHBondContact O-CB 3.45Å; L247-Y251 PolarHBondContact O-N 3.31Å; L247-V257 HydrophobicContact CB-CG2 4.23Å; L247-N263 WeakPolarHBondContact CD1-ND2 3Å
248	L	94.3	Very high	91.1	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-40.2	175.3	-67.3	176.6	0	0	0	111.8	V244 L245 A252 L267 A270 L274 F276 I279	V244-L248 HydrophobicContact CG1-CD1 4.43Å; V244-L248 WeakPolarHBondContact O-CG 3.37Å; V244-L248 PolarHBondContact O-N 3.45Å; L245-L248 PolarHBondContact O-N 3.04Å; L248-A252 PolarHBondContact O-N 2.83Å; L248-L267 HydrophobicContact CD2-CD1 3.61Å; L248-L267 HydrophobicContact CG-CD1 3.98Å; L248-A270 HydrophobicContact CD1-CB 3.84Å; L248-L274 HydrophobicContact CD1-CD1 3.88Å; L248-F276 HydrophobicContact CB-CE2 4.43Å; L248-F276 HydrophobicContact CB-CZ 4.48Å; L248-F276 HydrophobicContact CD2-CD2 4.27Å; L248-F276 HydrophobicContact CD2-CG 4.31Å; L248-I279 HydrophobicContact CD2-CD1 3.41Å; L248-I279 VanDerWaalsContact CD2-CD1 3.41Å; L248-I279 HydrophobicContact CD2-CG2 4.13Å
249	L	92.9	Very high	91.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-44.6	175.6	-70.1	175	0	0	0	111.6	L197 F204 L211 L245 E246 Y251 A252 Y253	L197-L249 HydrophobicContact CD1-CD1 4.39Å; L197-L249 HydrophobicContact CD1-CD2 3.98Å; F204-L249 HydrophobicContact CB-CD1 3.53Å; F204-L249 HydrophobicContact CD1-CD1 4.06Å; F204-L249 HydrophobicContact CD2-CD1 4.48Å; F204-L249 HydrophobicContact CG-CD1 3.79Å; L211-L249 HydrophobicContact CD2-CD2 3.52Å; L245-L249 HydrophobicContact CD1-CD1 4.49Å; L245-L249 HydrophobicContact CD1-CG 4.37Å; L245-L249 HydrophobicContact CG-CD1 4.15Å; L245-L249 HydrophobicContact CG-CG 4.46Å; L245-L249 WeakPolarHBondContact O-CB 3.37Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.42Å; E246-L249 PolarHBondContact O-N 3.32Å; L249-Y251 VanDerWaalsContact C-N 3.26Å; L249-Y251 PolarHBondContact O-N 3.36Å; L249-A252 WeakPolarHBondContact O-CB 3.14Å; L249-A252 PolarHBondContact O-N 3.11Å; L249-A252 VanDerWaalsContact O-N 3.09Å; L249-Y253 VanDerWaalsContact O-CD2 3.3Å; L249-Y253 WeakPolarHBondContact O-CD2 3.31Å; L249-Y253 PolarHBondContact O-N 2.95Å; L249-Y253 VanDerWaalsContact O-N 3.16Å
250	D	92.3	Very high	92.5	Very high	58 Å²	58	52 Å²	52	31%	0.31	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-35.5	176.9	-81.2	5.3	0	0	0	111.4	R187 E246 L247 Y253 S254	R187-D250 IonicContact CZ-OD1 2.85Å; R187-D250 IonicContact NH1-OD1 2.83Å; R187-D250 PolarHBondContact NH1-OD1 2.7Å; R187-D250 IonicContact NH2-OD1 2.71Å; R187-D250 PolarHBondContact NH2-OD1 2.92Å; E246-D250 WeakPolarHBondContact O-CB 3.5Å; E246-D250 PolarHBondContact O-N 3.26Å; L247-D250 PolarHBondContact O-N 3.35Å; D250-Y253 PolarHBondContact O-N 3.38Å; D250-S254 WeakPolarHBondContact O-CB 3.41Å; D250-S254 PolarHBondContact O-N 2.91Å; D250-S254 PolarHBondContact O-OG 3.13Å
251	Y	94.2	Very high	92.5	Very high	41 Å²	41	58.9 Å²	58.9	16%	0.161	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-51.1	167.8	174.6	-88.8	0	0	0	112	L247 L249 Y253 S254 S255 R256 V257 F276 I279	L247-Y251 WeakPolarHBondContact O-CB 3.45Å; L247-Y251 PolarHBondContact O-N 3.31Å; L249-Y251 VanDerWaalsContact C-N 3.26Å; L249-Y251 PolarHBondContact O-N 3.36Å; Y251-Y253 PolarHBondContact O-N 3.3Å; Y251-S254 PolarHBondContact O-N 2.99Å; Y251-S255 WeakPolarHBondContact O-CA 3.42Å; Y251-S255 PolarHBondContact O-N 3.45Å; Y251-R256 WeakPolarHBondContact CA-O 3.28Å; Y251-V257 HydrophobicContact CD2-CB 4.21Å; Y251-V257 HydrophobicContact CD2-CG1 4.27Å; Y251-F276 HydrophobicContact CD1-CD1 4.2Å; Y251-F276 HydrophobicContact CD1-CE1 4.37Å; Y251-F276 HydrophobicContact CE1-CD1 4.35Å; Y251-I279 HydrophobicContact CD1-CD1 3.52Å; Y251-I279 HydrophobicContact CD1-CG1 4.04Å; Y251-I279 HydrophobicContact CD2-CD1 4.07Å; Y251-I279 HydrophobicContact CD2-CG1 4.08Å; Y251-I279 HydrophobicContact CE1-CD1 3.99Å; Y251-I279 HydrophobicContact CE1-CG1 4.04Å; Y251-I279 HydrophobicContact CE2-CD1 4.49Å; Y251-I279 HydrophobicContact CE2-CG1 4.08Å; Y251-I279 HydrophobicContact CG-CD1 3.56Å; Y251-I279 HydrophobicContact CG-CG1 4.05Å
252	A	92.7	Very high	92.4	Very high	7 Å²	7	61.2 Å²	61.2	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-58.1	-23.8	-179.1	0	0	0	0	0	113.7	V210 C214 L248 L249 F276	V210-A252 WeakPolarHBondContact CG1-O 3.49Å; C214-A252 HydrophobicContact CB-CB 4.24Å; L248-A252 PolarHBondContact O-N 2.83Å; L249-A252 WeakPolarHBondContact O-CB 3.14Å; L249-A252 PolarHBondContact O-N 3.11Å; L249-A252 VanDerWaalsContact O-N 3.09Å; A252-F276 HydrophobicContact CB-CE1 4.35Å
253	Y	92.1	Very high	92.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-106.4	-4.5	178.1	-74.7	-81.2	0	0	0	115.3	L183 N184 R187 H207 V210 L249 D250 Y251	L183-Y253 HydrophobicContact CB-CD1 4.09Å; L183-Y253 HydrophobicContact CB-CE1 4.13Å; N184-Y253 HydrophobicContact CB-CD1 4.35Å; N184-Y253 HydrophobicContact CB-CG 4.42Å; R187-Y253 HydrophobicContact CB-CE1 4.46Å; H207-Y253 VanDerWaalsContact CB-OH 3.28Å; H207-Y253 WeakPolarHBondContact CB-OH 3.48Å; H207-Y253 PolarHBondContact N-OH 3.26Å; H207-Y253 AromaticContact ND1-CE1 3.69Å; H207-Y253 AromaticContact ND1-CZ 3.66Å; H207-Y253 PolarHBondContact ND1-OH 3.27Å; V210-Y253 HydrophobicContact CB-CE1 3.98Å; V210-Y253 HydrophobicContact CG1-CD1 4.13Å; V210-Y253 HydrophobicContact CG1-CE1 3.74Å; V210-Y253 HydrophobicContact CG1-CE2 4.13Å; V210-Y253 HydrophobicContact CG1-CG 4.49Å; V210-Y253 HydrophobicContact CG2-CE1 3.81Å; L249-Y253 VanDerWaalsContact O-CD2 3.3Å; L249-Y253 WeakPolarHBondContact O-CD2 3.31Å; L249-Y253 PolarHBondContact O-N 2.95Å; L249-Y253 VanDerWaalsContact O-N 3.16Å; D250-Y253 PolarHBondContact O-N 3.38Å; Y251-Y253 PolarHBondContact O-N 3.3Å
254	S	90.4	Very high	92.6	Very high	40 Å²	40	53.9 Å²	53.9	28%	0.28	27%	0.272	S	S	.	.	H	α-helix	trans	-138.6	-5.2	-175.7	76.7	0	0	0	0	116.2	D250 Y251 R256	D250-S254 WeakPolarHBondContact O-CB 3.41Å; D250-S254 PolarHBondContact O-N 2.91Å; D250-S254 PolarHBondContact O-OG 3.13Å; Y251-S254 PolarHBondContact O-N 2.99Å; S254-R256 WeakPolarHBondContact O-CG 3.24Å; S254-R256 PolarHBondContact O-N 3.42Å; S254-R256 PolarHBondContact OG-N 3.14Å; S254-R256 PolarHBondContact OG-O 3.38Å
255	S	89.1	Confident	92.5	Very high	71 Å²	71	57.8 Å²	57.8	50%	0.497	29%	0.29	S	S	.	.	S	Bend	trans	52.4	23.7	-170.1	65.5	0	0	0	0	115.4	Y251	Y251-S255 WeakPolarHBondContact O-CA 3.42Å; Y251-S255 PolarHBondContact O-N 3.45Å
256	R	90.6	Very high	92.4	Very high	195 Å²	195	59.2 Å²	59.2	74%	0.736	30%	0.3	S	S	*	.			trans	-134.5	141	-176.7	-64.1	172.8	-171.2	-157.9	-0.7	111.1	Y251 S254	Y251-R256 WeakPolarHBondContact CA-O 3.28Å; S254-R256 WeakPolarHBondContact O-CG 3.24Å; S254-R256 PolarHBondContact O-N 3.42Å; S254-R256 PolarHBondContact OG-N 3.14Å; S254-R256 PolarHBondContact OG-O 3.38Å
257	V	94.6	Very high	92.5	Very high	41 Å²	41	56.1 Å²	56.1	25%	0.248	29%	0.286	C	S	.	.			trans	-140	150.6	175.2	65.6	0	0	0	0	109.2	L247 Y251 I259 L267	L247-V257 HydrophobicContact CB-CG2 4.23Å; Y251-V257 HydrophobicContact CD2-CB 4.21Å; Y251-V257 HydrophobicContact CD2-CG1 4.27Å; V257-I259 HydrophobicContact CG1-CD1 4.38Å; V257-I259 HydrophobicContact CG1-CG1 4.2Å; V257-L267 HydrophobicContact CG2-CD2 3.84Å
258	V	93.5	Very high	92.5	Very high	103 Å²	103	54 Å²	54	62%	0.624	27%	0.274	S	S	*	.			trans	-107.9	116	176.3	180	0	0	0	0	108.3	N263	V258-N263 PolarHBondContact O-ND2 3.33Å
259	I	95.1	Very high	92.3	Very high	41 Å²	41	58.3 Å²	58.3	21%	0.21	30%	0.295	C	S	.	.			trans	-104.7	132.4	179.8	-51.5	175.5	0	0	0	108.3	V257 N263 A264 L267 A282 F286	V257-I259 HydrophobicContact CG1-CD1 4.38Å; V257-I259 HydrophobicContact CG1-CG1 4.2Å; I259-N263 WeakPolarHBondContact CA-OD1 3.18Å; I259-A264 HydrophobicContact CG2-CB 3.86Å; I259-L267 HydrophobicContact CG1-CD2 4.03Å; I259-A282 HydrophobicContact CD1-CB 3.9Å; I259-F286 HydrophobicContact CG2-CB 3.94Å; I259-F286 HydrophobicContact CG2-CD1 3.76Å; I259-F286 HydrophobicContact CG2-CD2 4.2Å; I259-F286 HydrophobicContact CG2-CE1 4.33Å; I259-F286 HydrophobicContact CG2-CG 3.69Å
260	N	93.6	Very high	92.3	Very high	64 Å²	64	58.6 Å²	58.6	34%	0.342	30%	0.297	S	S	.	.			trans	-141.5	175.8	177.4	70	23.4	0	0	0	110.4	E262 N263 A264	N260-E262 VanDerWaalsContact C-N 3.3Å; N260-E262 PolarHBondContact O-N 3.06Å; N260-E262 PolarHBondContact OD1-N 3.2Å; N260-E262 VanDerWaalsContact OD1-N 3.1Å; N260-N263 PolarHBondContact N-OD1 3.02Å; N260-N263 PolarHBondContact O-N 3.36Å; N260-N263 PolarHBondContact O-OD1 2.88Å; N260-N263 WeakPolarHBondContact OD1-CB 3.32Å; N260-N263 PolarHBondContact OD1-N 2.96Å; N260-N263 PolarHBondContact OD1-OD1 2.88Å; N260-A264 WeakPolarHBondContact O-CB 3.22Å; N260-A264 PolarHBondContact O-N 3.5Å
261	E	88.8	Confident	92.4	Very high	152 Å²	152	55.8 Å²	55.8	71%	0.71	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.4	-177	-66.3	172.8	-165	0	0	113.6	F286	E261-F286 HydrophobicContact CG-CE1 4.31Å; E261-F286 HydrophobicContact CG-CZ 4.22Å
262	E	89.6	Confident	92.3	Very high	177 Å²	177	56 Å²	56	83%	0.827	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-27.5	-178.7	-62.8	178.4	166.6	0	0	112.9	N260	N260-E262 VanDerWaalsContact C-N 3.3Å; N260-E262 PolarHBondContact O-N 3.06Å; N260-E262 PolarHBondContact OD1-N 3.2Å; N260-E262 VanDerWaalsContact OD1-N 3.1Å
263	N	92.9	Very high	92.2	Very high	21 Å²	21	59.6 Å²	59.6	11%	0.112	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-16.5	-174.3	80.1	7.4	0	0	0	114.5	L247 V258 I259 N260 E265 S266 L267	L247-N263 WeakPolarHBondContact CD1-ND2 3Å; V258-N263 PolarHBondContact O-ND2 3.33Å; I259-N263 WeakPolarHBondContact CA-OD1 3.18Å; N260-N263 PolarHBondContact N-OD1 3.02Å; N260-N263 PolarHBondContact O-N 3.36Å; N260-N263 PolarHBondContact O-OD1 2.88Å; N260-N263 WeakPolarHBondContact OD1-CB 3.32Å; N260-N263 PolarHBondContact OD1-N 2.96Å; N260-N263 PolarHBondContact OD1-OD1 2.88Å; N263-E265 VanDerWaalsContact C-N 3.33Å; N263-E265 PolarHBondContact O-N 2.93Å; N263-S266 PolarHBondContact O-N 2.82Å; N263-L267 WeakPolarHBondContact O-CB 3.21Å; N263-L267 PolarHBondContact O-N 3.44Å
264	A	92.8	Very high	92.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-37.3	-172.3	0	0	0	0	0	113.5	I259 N260 L268 F286 L287	I259-A264 HydrophobicContact CG2-CB 3.86Å; N260-A264 WeakPolarHBondContact O-CB 3.22Å; N260-A264 PolarHBondContact O-N 3.5Å; A264-L268 VanDerWaalsContact O-CB 3.29Å; A264-L268 WeakPolarHBondContact O-CB 3.44Å; A264-L268 PolarHBondContact O-N 2.73Å; A264-F286 HydrophobicContact CB-CD1 3.73Å; A264-F286 HydrophobicContact CB-CE1 4.06Å; A264-L287 HydrophobicContact CB-CD2 3.71Å; A264-L287 HydrophobicContact CB-CG 4.16Å
265	E	91.9	Very high	92.3	Very high	90 Å²	90	61.6 Å²	61.6	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-58.1	178.4	-59.5	-176.8	-176.6	0	0	110.9	N263 L267 L268 E269 M299 L302	N263-E265 VanDerWaalsContact C-N 3.33Å; N263-E265 PolarHBondContact O-N 2.93Å; E265-L267 PolarHBondContact O-N 3.44Å; E265-L268 WeakPolarHBondContact O-CB 3.17Å; E265-L268 PolarHBondContact O-N 3.19Å; E265-L268 VanDerWaalsContact O-N 3.1Å; E265-E269 WeakPolarHBondContact O-CG 3.48Å; E265-E269 PolarHBondContact O-N 2.89Å; E265-M299 HydrophobicContact CG-CE 4.09Å; E265-M299 WeakPolarHBondContact OE1-CE 3.29Å; E265-L302 HydrophobicContact CB-CD2 4.23Å; E265-L302 HydrophobicContact CG-CD2 3.98Å
266	S	92.6	Very high	92.5	Very high	31 Å²	31	58.4 Å²	58.4	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-28.8	178.5	-47.6	0	0	0	0	113.5	N263 A270	N263-S266 PolarHBondContact O-N 2.82Å; S266-A270 VanDerWaalsContact O-CB 3.29Å; S266-A270 WeakPolarHBondContact O-CB 3.04Å; S266-A270 PolarHBondContact O-N 3.03Å
267	L	94.4	Very high	92.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-77.7	-31.8	176.7	-173.4	65.9	0	0	0	112.1	V244 L248 V257 I259 N263 E265 G271 I279 C283	V244-L267 HydrophobicContact CG1-CB 4.32Å; V244-L267 HydrophobicContact CG1-CD1 3.83Å; L248-L267 HydrophobicContact CD2-CD1 3.61Å; L248-L267 HydrophobicContact CG-CD1 3.98Å; V257-L267 HydrophobicContact CG2-CD2 3.84Å; I259-L267 HydrophobicContact CG1-CD2 4.03Å; N263-L267 WeakPolarHBondContact O-CB 3.21Å; N263-L267 PolarHBondContact O-N 3.44Å; E265-L267 PolarHBondContact O-N 3.44Å; L267-G271 WeakPolarHBondContact O-CA 3.48Å; L267-G271 PolarHBondContact O-N 3.25Å; L267-I279 HydrophobicContact CD1-CG2 4.01Å; L267-I279 HydrophobicContact CD2-CG2 4.1Å; L267-I279 HydrophobicContact CG-CG2 3.8Å; L267-C283 VanDerWaalsContact CD2-SG 3.6Å
268	L	93.6	Very high	92.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-50.4	167.8	-173.8	81	0	0	0	110.1	A264 E265 G271 D272 R280 C283 A284 L287 L302 H306	A264-L268 VanDerWaalsContact O-CB 3.29Å; A264-L268 WeakPolarHBondContact O-CB 3.44Å; A264-L268 PolarHBondContact O-N 2.73Å; E265-L268 WeakPolarHBondContact O-CB 3.17Å; E265-L268 PolarHBondContact O-N 3.19Å; E265-L268 VanDerWaalsContact O-N 3.1Å; L268-G271 PolarHBondContact O-N 3.27Å; L268-D272 WeakPolarHBondContact O-CB 3.2Å; L268-D272 PolarHBondContact O-N 2.85Å; L268-R280 HydrophobicContact CD1-CB 4.34Å; L268-R280 HydrophobicContact CD1-CG 3.45Å; L268-R280 VanDerWaalsContact CD1-CG 3.45Å; L268-R280 WeakPolarHBondContact CD1-O 3.25Å; L268-R280 HydrophobicContact CG-CG 4.22Å; L268-C283 HydrophobicContact CB-CB 4Å; L268-C283 HydrophobicContact CD1-CB 3.82Å; L268-A284 HydrophobicContact CD1-CB 4.16Å; L268-L287 HydrophobicContact CD2-CD1 4.11Å; L268-L302 HydrophobicContact CD2-CD1 4.26Å; L268-L302 HydrophobicContact CD2-CD2 3.78Å; L268-L302 HydrophobicContact CD2-CG 3.78Å; L268-H306 HydrophobicContact CD2-CB 4.37Å
269	E	91.7	Very high	92.4	Very high	92 Å²	92	51.8 Å²	51.8	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-55.6	-54.5	178.2	-73	174.3	173.7	0	0	112	E265 D272 M273 L302 H306	E265-E269 WeakPolarHBondContact O-CG 3.48Å; E265-E269 PolarHBondContact O-N 2.89Å; E269-D272 PolarHBondContact O-N 3.31Å; E269-M273 WeakPolarHBondContact O-CB 3.48Å; E269-M273 PolarHBondContact O-N 2.92Å; E269-L302 HydrophobicContact CG-CD1 4.19Å; E269-H306 WeakPolarHBondContact CG-NE2 3.45Å
270	A	92.7	Very high	92.3	Very high	6 Å²	6	51.6 Å²	51.6	5%	0.05	25%	0.253	C	S	.	.	H	α-helix	trans	-70.7	-32.6	-178.8	0	0	0	0	0	112.5	I240 V244 L248 S266 L274	I240-A270 HydrophobicContact CG2-CB 3.98Å; V244-A270 HydrophobicContact CG1-CB 3.61Å; L248-A270 HydrophobicContact CD1-CB 3.84Å; S266-A270 VanDerWaalsContact O-CB 3.29Å; S266-A270 WeakPolarHBondContact O-CB 3.04Å; S266-A270 PolarHBondContact O-N 3.03Å; A270-L274 VanDerWaalsContact O-CB 3.32Å; A270-L274 WeakPolarHBondContact O-CB 3.37Å; A270-L274 PolarHBondContact O-N 2.95Å
271	G	93.1	Very high	92.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-40.6	175.2	0	0	0	0	0	112.4	L267 L268 E275 F276	L267-G271 WeakPolarHBondContact O-CA 3.48Å; L267-G271 PolarHBondContact O-N 3.25Å; L268-G271 PolarHBondContact O-N 3.27Å; G271-E275 CarbonylContact O-C 3.56Å; G271-E275 PolarHBondContact O-N 2.83Å; G271-E275 VanDerWaalsContact O-N 3.15Å; G271-F276 PolarHBondContact O-N 3.18Å
272	D	91.8	Very high	92.4	Very high	44 Å²	44	47.3 Å²	47.3	24%	0.235	24%	0.24	C	C	.	.	H	α-helix	trans	-70.3	-49.1	174.5	-165.9	50.2	0	0	0	111.3	L268 E269 L274 E275 R280 H306	L268-D272 WeakPolarHBondContact O-CB 3.2Å; L268-D272 PolarHBondContact O-N 2.85Å; E269-D272 PolarHBondContact O-N 3.31Å; D272-L274 PolarHBondContact O-N 3.11Å; D272-E275 PolarHBondContact O-N 2.85Å; D272-R280 HydrophobicContact CB-CG 4.19Å; D272-R280 WeakPolarHBondContact OD1-CD 3.38Å; D272-R280 IonicContact OD1-CZ 2.86Å; D272-R280 IonicContact OD1-NE 2.72Å; D272-R280 IonicContact OD1-NH1 2.82Å; D272-R280 PolarHBondContact OD1-NH1 3.27Å; D272-H306 IonicContact OD2-CE1 3.64Å; D272-H306 IonicContact OD2-CG 3.82Å; D272-H306 IonicContact OD2-ND1 3.14Å; D272-H306 PolarHBondContact OD2-ND1 2.92Å
273	M	91.2	Very high	92.6	Very high	83 Å²	83	38.9 Å²	38.9	41%	0.409	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-38.3	-179.8	-173.5	-173.7	66.9	0	0	113.7	I240 E269 E275	I240-M273 HydrophobicContact CD1-CE 3.47Å; I240-M273 VanDerWaalsContact CD1-CE 3.47Å; I240-M273 HydrophobicContact CG1-CE 3.45Å; I240-M273 VanDerWaalsContact CG1-CE 3.45Å; E269-M273 WeakPolarHBondContact O-CB 3.48Å; E269-M273 PolarHBondContact O-N 2.92Å; M273-E275 VanDerWaalsContact C-N 3.33Å
274	L	92.1	Very high	92.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	11.5	175.9	-61.5	-179	0	0	0	112.8	S215 Y217 F218 F236 I240 L245 L248 A270 D272 F276	S215-L274 WeakPolarHBondContact CB-O 3.32Å; S215-L274 PolarHBondContact OG-O 3.16Å; Y217-L274 WeakPolarHBondContact CB-O 3.29Å; Y217-L274 HydrophobicContact CD1-CD2 3.51Å; Y217-L274 HydrophobicContact CE1-CD2 3.43Å; Y217-L274 VanDerWaalsContact CE1-CD2 3.43Å; Y217-L274 HydrophobicContact CG-CD2 4.22Å; F218-L274 HydrophobicContact CE2-CD1 4.32Å; F218-L274 HydrophobicContact CZ-CD1 4.33Å; F218-L274 HydrophobicContact CZ-CD2 4.32Å; F236-L274 HydrophobicContact CE1-CD2 3.74Å; F236-L274 HydrophobicContact CZ-CD2 3.99Å; I240-L274 HydrophobicContact CD1-CD1 3.71Å; I240-L274 HydrophobicContact CD1-CD2 4.35Å; I240-L274 HydrophobicContact CD1-CG 4.17Å; L245-L274 HydrophobicContact CD1-CD1 4.19Å; L248-L274 HydrophobicContact CD1-CD1 3.88Å; A270-L274 VanDerWaalsContact O-CB 3.32Å; A270-L274 WeakPolarHBondContact O-CB 3.37Å; A270-L274 PolarHBondContact O-N 2.95Å; D272-L274 PolarHBondContact O-N 3.11Å; L274-F276 VanDerWaalsContact C-N 3.28Å; L274-F276 HydrophobicContact CB-CD2 3.71Å; L274-F276 HydrophobicContact CB-CE2 3.81Å; L274-F276 HydrophobicContact CD1-CE2 4.35Å; L274-F276 PolarHBondContact O-N 2.86Å
275	E	93.4	Very high	92.6	Very high	82 Å²	82	42.7 Å²	42.7	38%	0.383	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	29	176.3	-58.9	-179.2	-160.1	0	0	115.8	R216 Y217 G271 D272 M273 Q277	R216-E275 HydrophobicContact CB-CB 4.26Å; R216-E275 WeakPolarHBondContact CB-OE2 3.37Å; Y217-E275 PolarHBondContact N-OE2 3.44Å; G271-E275 CarbonylContact O-C 3.56Å; G271-E275 PolarHBondContact O-N 2.83Å; G271-E275 VanDerWaalsContact O-N 3.15Å; D272-E275 PolarHBondContact O-N 2.85Å; M273-E275 VanDerWaalsContact C-N 3.33Å; E275-Q277 VanDerWaalsContact C-N 3.28Å; E275-Q277 PolarHBondContact O-N 3.2Å
276	F	93.3	Very high	92.7	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.022	21%	0.21	C	C	.	.			trans	-77.2	74.1	167.4	-71.8	-95.9	0	0	0	110.9	C214 F218 L248 Y251 A252 G271 L274 D278 I279 R280	C214-F276 HydrophobicContact CB-CE1 4.31Å; C214-F276 VanDerWaalsContact SG-CE1 3.59Å; F218-F276 HydrophobicContact CD2-CE2 4.44Å; F218-F276 HydrophobicContact CE2-CE2 4.08Å; F218-F276 HydrophobicContact CE2-CZ 4.33Å; L248-F276 HydrophobicContact CB-CE2 4.43Å; L248-F276 HydrophobicContact CB-CZ 4.48Å; L248-F276 HydrophobicContact CD2-CD2 4.27Å; L248-F276 HydrophobicContact CD2-CG 4.31Å; Y251-F276 HydrophobicContact CD1-CD1 4.2Å; Y251-F276 HydrophobicContact CD1-CE1 4.37Å; Y251-F276 HydrophobicContact CE1-CD1 4.35Å; A252-F276 HydrophobicContact CB-CE1 4.35Å; G271-F276 PolarHBondContact O-N 3.18Å; L274-F276 VanDerWaalsContact C-N 3.28Å; L274-F276 HydrophobicContact CB-CD2 3.71Å; L274-F276 HydrophobicContact CB-CE2 3.81Å; L274-F276 HydrophobicContact CD1-CE2 4.35Å; L274-F276 PolarHBondContact O-N 2.86Å; F276-D278 VanDerWaalsContact C-N 3.34Å; F276-D278 PolarHBondContact O-N 3.4Å; F276-I279 HydrophobicContact CB-CB 4.14Å; F276-I279 HydrophobicContact CB-CD1 3.86Å; F276-I279 HydrophobicContact CB-CG1 4.12Å; F276-I279 HydrophobicContact CD1-CD1 3.79Å; F276-I279 HydrophobicContact CG-CD1 4.02Å; F276-I279 PolarHBondContact O-N 3.13Å; F276-I279 VanDerWaalsContact O-N 3.07Å; F276-R280 PolarHBondContact O-N 3.27Å
277	Q	90.8	Very high	92.7	Very high	82 Å²	82	39.9 Å²	39.9	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-52.2	-47	-174.4	-54.4	-62.2	-67.7	0	0	113	E275 I279 R280 D281	E275-Q277 VanDerWaalsContact C-N 3.28Å; E275-Q277 PolarHBondContact O-N 3.2Å; Q277-I279 VanDerWaalsContact C-N 3.26Å; Q277-I279 PolarHBondContact O-N 2.93Å; Q277-R280 PolarHBondContact O-N 3.44Å; Q277-R280 VanDerWaalsContact OE1-CZ 3.23Å; Q277-D281 WeakPolarHBondContact O-CB 3.37Å; Q277-D281 VanDerWaalsContact O-CG 3.28Å; Q277-D281 PolarHBondContact O-N 3.39Å
278	D	92.1	Very high	92.5	Very high	117 Å²	117	41.6 Å²	41.6	63%	0.626	21%	0.211	S	C	*	.	H	α-helix	trans	-61.8	-32.6	-178.5	-61.4	-42.5	0	0	0	112.9	F276 A282	F276-D278 VanDerWaalsContact C-N 3.34Å; F276-D278 PolarHBondContact O-N 3.4Å; D278-A282 WeakPolarHBondContact O-CB 3.45Å; D278-A282 PolarHBondContact O-N 3.21Å
279	I	93.3	Very high	92.4	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-77.7	-44.3	178.1	-58.2	178	0	0	0	110	L248 Y251 L267 F276 Q277 D281 A282 C283	L248-I279 HydrophobicContact CD2-CD1 3.41Å; L248-I279 VanDerWaalsContact CD2-CD1 3.41Å; L248-I279 HydrophobicContact CD2-CG2 4.13Å; Y251-I279 HydrophobicContact CD1-CD1 3.52Å; Y251-I279 HydrophobicContact CD1-CG1 4.04Å; Y251-I279 HydrophobicContact CD2-CD1 4.07Å; Y251-I279 HydrophobicContact CD2-CG1 4.08Å; Y251-I279 HydrophobicContact CE1-CD1 3.99Å; Y251-I279 HydrophobicContact CE1-CG1 4.04Å; Y251-I279 HydrophobicContact CE2-CD1 4.49Å; Y251-I279 HydrophobicContact CE2-CG1 4.08Å; Y251-I279 HydrophobicContact CG-CD1 3.56Å; Y251-I279 HydrophobicContact CG-CG1 4.05Å; L267-I279 HydrophobicContact CD1-CG2 4.01Å; L267-I279 HydrophobicContact CD2-CG2 4.1Å; L267-I279 HydrophobicContact CG-CG2 3.8Å; F276-I279 HydrophobicContact CB-CB 4.14Å; F276-I279 HydrophobicContact CB-CD1 3.86Å; F276-I279 HydrophobicContact CB-CG1 4.12Å; F276-I279 HydrophobicContact CD1-CD1 3.79Å; F276-I279 HydrophobicContact CG-CD1 4.02Å; F276-I279 PolarHBondContact O-N 3.13Å; F276-I279 VanDerWaalsContact O-N 3.07Å; Q277-I279 VanDerWaalsContact C-N 3.26Å; Q277-I279 PolarHBondContact O-N 2.93Å; I279-D281 VanDerWaalsContact C-N 3.32Å; I279-D281 PolarHBondContact O-N 3.37Å; I279-A282 PolarHBondContact O-N 3.32Å; I279-C283 PolarHBondContact O-N 3.3Å; I279-C283 PolarHBondContact O-SG 3.1Å
280	R	92.2	Very high	92.3	Very high	37 Å²	37	48.9 Å²	48.9	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-48.5	175.9	-176.3	-160.3	62.8	-140.2	-13.4	110.5	L268 D272 F276 Q277 A282 C283 A284	L268-R280 HydrophobicContact CD1-CB 4.34Å; L268-R280 HydrophobicContact CD1-CG 3.45Å; L268-R280 VanDerWaalsContact CD1-CG 3.45Å; L268-R280 WeakPolarHBondContact CD1-O 3.25Å; L268-R280 HydrophobicContact CG-CG 4.22Å; D272-R280 HydrophobicContact CB-CG 4.19Å; D272-R280 WeakPolarHBondContact OD1-CD 3.38Å; D272-R280 IonicContact OD1-CZ 2.86Å; D272-R280 IonicContact OD1-NE 2.72Å; D272-R280 IonicContact OD1-NH1 2.82Å; D272-R280 PolarHBondContact OD1-NH1 3.27Å; F276-R280 PolarHBondContact O-N 3.27Å; Q277-R280 PolarHBondContact O-N 3.44Å; Q277-R280 VanDerWaalsContact OE1-CZ 3.23Å; R280-A282 VanDerWaalsContact C-N 3.32Å; R280-A282 PolarHBondContact O-N 3.24Å; R280-C283 PolarHBondContact O-N 3.13Å; R280-A284 WeakPolarHBondContact O-CB 3.3Å; R280-A284 PolarHBondContact O-N 3.1Å
281	D	91.8	Very high	92.1	Very high	87 Å²	87	49.9 Å²	49.9	47%	0.465	24%	0.243	S	C	.	.	H	α-helix	trans	-65.4	-36	-178.3	-66.1	3.3	0	0	0	111.6	Q277 I279 E285	Q277-D281 WeakPolarHBondContact O-CB 3.37Å; Q277-D281 VanDerWaalsContact O-CG 3.28Å; Q277-D281 PolarHBondContact O-N 3.39Å; I279-D281 VanDerWaalsContact C-N 3.32Å; I279-D281 PolarHBondContact O-N 3.37Å; D281-E285 PolarHBondContact O-N 3.23Å
282	A	93.4	Very high	91.9	Very high	39 Å²	39	55 Å²	55	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-68.7	-37	172.8	0	0	0	0	0	113.4	I259 D278 I279 R280 F286	I259-A282 HydrophobicContact CD1-CB 3.9Å; D278-A282 WeakPolarHBondContact O-CB 3.45Å; D278-A282 PolarHBondContact O-N 3.21Å; I279-A282 PolarHBondContact O-N 3.32Å; R280-A282 VanDerWaalsContact C-N 3.32Å; R280-A282 PolarHBondContact O-N 3.24Å; A282-F286 PolarHBondContact O-N 3.46Å
283	C	93.9	Very high	91.6	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.7	-42.8	174	-64.1	0	0	0	0	110.8	L267 L268 I279 R280 E285 F286 L287	L267-C283 VanDerWaalsContact CD2-SG 3.6Å; L268-C283 HydrophobicContact CB-CB 4Å; L268-C283 HydrophobicContact CD1-CB 3.82Å; I279-C283 PolarHBondContact O-N 3.3Å; I279-C283 PolarHBondContact O-SG 3.1Å; R280-C283 PolarHBondContact O-N 3.13Å; C283-E285 PolarHBondContact O-N 2.89Å; C283-F286 WeakPolarHBondContact O-CB 3.45Å; C283-F286 PolarHBondContact O-N 2.95Å; C283-F286 VanDerWaalsContact O-N 3.15Å; C283-L287 WeakPolarHBondContact O-CG 3.34Å; C283-L287 PolarHBondContact O-N 2.9Å
284	A	91.9	Very high	91.3	Very high	10 Å²	10	55.2 Å²	55.2	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-46.8	174.3	0	0	0	0	0	111.4	L268 R280 F286 L287 E288	L268-A284 HydrophobicContact CD1-CB 4.16Å; R280-A284 WeakPolarHBondContact O-CB 3.3Å; R280-A284 PolarHBondContact O-N 3.1Å; A284-F286 VanDerWaalsContact C-N 3.3Å; A284-F286 PolarHBondContact O-N 2.68Å; A284-L287 PolarHBondContact O-N 3.06Å; A284-E288 VanDerWaalsContact O-CG 3.3Å; A284-E288 WeakPolarHBondContact O-CG 3.35Å; A284-E288 PolarHBondContact O-N 3.07Å
285	E	92.4	Very high	91.1	Very high	90 Å²	90	57.5 Å²	57.5	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-35.3	175.5	-171.8	179.3	-168.6	0	0	112.6	D281 C283 R289	D281-E285 PolarHBondContact O-N 3.23Å; C283-E285 PolarHBondContact O-N 2.89Å; E285-R289 VanDerWaalsContact O-CG 3.28Å; E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 3.01Å; E285-R289 IonicContact OE1-CZ 3.99Å; E285-R289 IonicContact OE1-NE 3.89Å; E285-R289 IonicContact OE1-NH2 3.62Å; E285-R289 PolarHBondContact OE1-NH2 3.19Å; E285-R289 IonicContact OE2-NH2 3.66Å
286	F	94	Very high	91	Very high	51 Å²	51	53.7 Å²	53.7	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-44	174.5	-179.2	-93	0	0	0	112.1	I259 E261 A264 A282 C283 A284 R289 N290	I259-F286 HydrophobicContact CG2-CB 3.94Å; I259-F286 HydrophobicContact CG2-CD1 3.76Å; I259-F286 HydrophobicContact CG2-CD2 4.2Å; I259-F286 HydrophobicContact CG2-CE1 4.33Å; I259-F286 HydrophobicContact CG2-CG 3.69Å; E261-F286 HydrophobicContact CG-CE1 4.31Å; E261-F286 HydrophobicContact CG-CZ 4.22Å; A264-F286 HydrophobicContact CB-CD1 3.73Å; A264-F286 HydrophobicContact CB-CE1 4.06Å; A282-F286 PolarHBondContact O-N 3.46Å; C283-F286 WeakPolarHBondContact O-CB 3.45Å; C283-F286 PolarHBondContact O-N 2.95Å; C283-F286 VanDerWaalsContact O-N 3.15Å; A284-F286 VanDerWaalsContact C-N 3.3Å; A284-F286 PolarHBondContact O-N 2.68Å; F286-R289 PolarHBondContact O-N 3.11Å; F286-N290 WeakPolarHBondContact CZ-ND2 3.43Å; F286-N290 PolarHBondContact O-N 2.88Å; F286-N290 PolarHBondContact O-ND2 3.36Å
287	L	92.8	Very high	90.8	Very high	11 Å²	11	53.7 Å²	53.7	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-40.7	178.2	-67.4	174.8	0	0	0	112	A264 L268 C283 A284 R289 N290 L291 M299 L302 L311	A264-L287 HydrophobicContact CB-CD2 3.71Å; A264-L287 HydrophobicContact CB-CG 4.16Å; L268-L287 HydrophobicContact CD2-CD1 4.11Å; C283-L287 WeakPolarHBondContact O-CG 3.34Å; C283-L287 PolarHBondContact O-N 2.9Å; A284-L287 PolarHBondContact O-N 3.06Å; L287-R289 PolarHBondContact O-N 2.78Å; L287-N290 CarbonylContact O-C 3.52Å; L287-N290 PolarHBondContact O-N 3.46Å; L287-L291 PolarHBondContact O-N 3.15Å; L287-L291 VanDerWaalsContact O-N 3.12Å; L287-M299 HydrophobicContact CB-SD 3.97Å; L287-M299 HydrophobicContact CD1-SD 4.12Å; L287-M299 HydrophobicContact CD2-CE 3.96Å; L287-M299 HydrophobicContact CD2-SD 3.84Å; L287-M299 HydrophobicContact CG-SD 4.19Å; L287-L302 HydrophobicContact CD1-CD2 3.77Å; L287-L311 HydrophobicContact CB-CD1 4.31Å; L287-L311 HydrophobicContact CB-CD2 4.09Å; L287-L311 HydrophobicContact CD1-CD2 4.27Å
288	E	91.6	Very high	90.7	Very high	37 Å²	37	51.6 Å²	51.6	17%	0.173	27%	0.274	C	S	.	.	H	α-helix	trans	-56	-37.3	173.7	-74.9	178	-169	0	0	112.9	A284 N290 K310 L311 L314	A284-E288 VanDerWaalsContact O-CG 3.3Å; A284-E288 WeakPolarHBondContact O-CG 3.35Å; A284-E288 PolarHBondContact O-N 3.07Å; E288-N290 VanDerWaalsContact C-N 3.33Å; E288-K310 WeakPolarHBondContact OE1-CD 3.44Å; E288-K310 WeakPolarHBondContact OE1-CE 3.42Å; E288-K310 VanDerWaalsContact OE1-CG 3.23Å; E288-K310 WeakPolarHBondContact OE1-CG 3.38Å; E288-K310 IonicContact OE1-NZ 3.56Å; E288-K310 PolarHBondContact OE1-NZ 3.39Å; E288-K310 WeakPolarHBondContact OE2-CE 3.42Å; E288-K310 IonicContact OE2-NZ 3.67Å; E288-K310 PolarHBondContact OE2-NZ 3.45Å; E288-L311 HydrophobicContact CB-CD1 4.44Å; E288-L311 HydrophobicContact CG-CB 4.17Å; E288-L311 HydrophobicContact CG-CD1 3.89Å; E288-L314 HydrophobicContact CB-CD1 4.26Å; E288-L314 HydrophobicContact CG-CD1 3.98Å
289	R	89.9	Confident	90.7	Very high	180 Å²	180	46.1 Å²	46.1	68%	0.679	25%	0.245	S	C	*	.	H	α-helix	trans	-75.8	-20.8	179.7	-70.3	171.2	-178.4	-163.7	6.1	113.3	E285 F286 L287	E285-R289 VanDerWaalsContact O-CG 3.28Å; E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 3.01Å; E285-R289 IonicContact OE1-CZ 3.99Å; E285-R289 IonicContact OE1-NE 3.89Å; E285-R289 IonicContact OE1-NH2 3.62Å; E285-R289 PolarHBondContact OE1-NH2 3.19Å; E285-R289 IonicContact OE2-NH2 3.66Å; F286-R289 PolarHBondContact O-N 3.11Å; L287-R289 PolarHBondContact O-N 2.78Å
290	N	89.8	Confident	90.5	Very high	64 Å²	64	46.3 Å²	46.3	34%	0.342	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	20.3	-177.6	-62.9	-64	0	0	0	112.7	F286 L287 E288 H292 N295	F286-N290 WeakPolarHBondContact CZ-ND2 3.43Å; F286-N290 PolarHBondContact O-N 2.88Å; F286-N290 PolarHBondContact O-ND2 3.36Å; L287-N290 CarbonylContact O-C 3.52Å; L287-N290 PolarHBondContact O-N 3.46Å; E288-N290 VanDerWaalsContact C-N 3.33Å; N290-H292 PolarHBondContact O-N 3.17Å; N290-N295 PolarHBondContact O-ND2 2.98Å; N290-N295 VanDerWaalsContact O-ND2 3.1Å
291	L	89.8	Confident	90.4	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.141	26%	0.255	C	S	.	.			trans	-70	126.6	176.4	-174.5	68	0	0	0	110.9	L287 C296 M299 L314 M318	L287-L291 PolarHBondContact O-N 3.15Å; L287-L291 VanDerWaalsContact O-N 3.12Å; L291-C296 HydrophobicContact CD1-CB 4.19Å; L291-M299 HydrophobicContact CD1-CB 3.73Å; L291-M299 HydrophobicContact CD1-CG 3.79Å; L291-L314 HydrophobicContact CD2-CB 3.89Å; L291-M318 HydrophobicContact CB-CE 4.3Å; L291-M318 HydrophobicContact CD2-CB 4.36Å; L291-M318 HydrophobicContact CD2-CE 3.81Å; L291-M318 HydrophobicContact CD2-SD 4.28Å; L291-M318 HydrophobicContact CG-CE 3.72Å; L291-M318 HydrophobicContact CG-SD 3.83Å
292	H	88.1	Confident	90.3	Very high	108 Å²	108	44.2 Å²	44.2	50%	0.5	24%	0.237	S	C	.	.			trans	-138.8	151.2	-175	-170.2	-103.1	0	0	0	110.9	N290 S294 N295 C296	N290-H292 PolarHBondContact O-N 3.17Å; H292-S294 PolarHBondContact ND1-N 2.8Å; H292-S294 PolarHBondContact ND1-OG 3.11Å; H292-S294 PolarHBondContact O-N 3.39Å; H292-N295 PolarHBondContact N-OD1 3.35Å; H292-N295 PolarHBondContact O-N 3.28Å; H292-N295 PolarHBondContact O-OD1 2.84Å; H292-C296 PolarHBondContact O-N 3.17Å
293	P	84.9	Confident	90.2	Very high	45 Å²	45	42.4 Å²	42.4	29%	0.292	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.2	-178.8	-30.4	37.8	0	0	0	115.4	C296 M318 N322	P293-C296 PolarHBondContact O-SG 2.79Å; P293-M318 HydrophobicContact CG-CG 4.4Å; P293-M318 HydrophobicContact CG-SD 4.04Å; P293-M318 VanDerWaalsContact N-SD 3.43Å; P293-N322 HydrophobicContact CB-CB 4.16Å
294	S	85.9	Confident	89.9	Confident	86 Å²	86	47 Å²	47	60%	0.601	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-22.2	175.7	59.6	0	0	0	0	115.1	H292	H292-S294 PolarHBondContact ND1-N 2.8Å; H292-S294 PolarHBondContact ND1-OG 3.11Å; H292-S294 PolarHBondContact O-N 3.39Å
295	N	87.9	Confident	89.7	Confident	49 Å²	49	49.8 Å²	49.8	26%	0.262	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-7.6	178.1	69.9	7.1	0	0	0	113.1	N290 H292 L297 G298 M299	N290-N295 PolarHBondContact O-ND2 2.98Å; N290-N295 VanDerWaalsContact O-ND2 3.1Å; H292-N295 PolarHBondContact N-OD1 3.35Å; H292-N295 PolarHBondContact O-N 3.28Å; H292-N295 PolarHBondContact O-OD1 2.84Å; N295-L297 VanDerWaalsContact C-N 3.28Å; N295-L297 PolarHBondContact O-N 3.31Å; N295-L297 VanDerWaalsContact O-N 3.13Å; N295-G298 PolarHBondContact O-N 3.06Å; N295-M299 HydrophobicContact CB-CG 4.41Å; N295-M299 WeakPolarHBondContact O-CG 3.38Å; N295-M299 PolarHBondContact O-N 3.13Å
296	C	90.2	Very high	89.5	Confident	1 Å²	1	47 Å²	47	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-31.2	-171.8	66.1	0	0	0	0	115.3	L291 H292 P293 L300 M318 I326	L291-C296 HydrophobicContact CD1-CB 4.19Å; H292-C296 PolarHBondContact O-N 3.17Å; P293-C296 PolarHBondContact O-SG 2.79Å; C296-L300 VanDerWaalsContact O-CB 3.24Å; C296-L300 WeakPolarHBondContact O-CB 3.14Å; C296-L300 PolarHBondContact O-N 3.36Å; C296-M318 HydrophobicContact CB-CB 4.26Å; C296-M318 HydrophobicContact CB-CG 4.15Å; C296-M318 HydrophobicContact CB-SD 4.13Å; C296-I326 WeakPolarHBondContact SG-CD1 3.35Å
297	L	89.9	Confident	89.1	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-71.6	-42.1	174.1	-73	-172.6	0	0	0	112.7	N295 L300 L301 I326 D331 F332 L335	N295-L297 VanDerWaalsContact C-N 3.28Å; N295-L297 PolarHBondContact O-N 3.31Å; N295-L297 VanDerWaalsContact O-N 3.13Å; L297-L300 PolarHBondContact O-N 3.38Å; L297-L301 WeakPolarHBondContact O-CG 3.48Å; L297-L301 PolarHBondContact O-N 2.86Å; L297-I326 HydrophobicContact CD1-CG2 3.43Å; L297-I326 VanDerWaalsContact CD1-CG2 3.43Å; L297-I326 HydrophobicContact CD2-CG2 3.89Å; L297-I326 HydrophobicContact CG-CG2 3.64Å; L297-D331 HydrophobicContact CB-CB 4.29Å; L297-D331 HydrophobicContact CD1-CB 3.9Å; L297-F332 HydrophobicContact CD1-CB 3.87Å; L297-L335 HydrophobicContact CD1-CD1 4.12Å; L297-L335 HydrophobicContact CD1-CG 4.42Å; L297-L335 HydrophobicContact CD2-CD1 3.91Å; L297-L335 HydrophobicContact CD2-CD2 4.23Å
298	G	89.1	Confident	88.9	Confident	38 Å²	38	52.7 Å²	52.7	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-47.6	174.5	0	0	0	0	0	111.1	N295 L300 L301 L302	N295-G298 PolarHBondContact O-N 3.06Å; G298-L300 VanDerWaalsContact C-N 3.28Å; G298-L300 PolarHBondContact O-N 2.99Å; G298-L301 PolarHBondContact O-N 3.07Å; G298-L302 VanDerWaalsContact O-CB 3.32Å; G298-L302 WeakPolarHBondContact O-CB 3.44Å; G298-L302 PolarHBondContact O-N 3.37Å
299	M	90.9	Very high	88.6	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-37.7	175.3	-65.5	-63.6	125.2	0	0	112.6	E265 L287 L291 N295 L302 S303	E265-M299 HydrophobicContact CG-CE 4.09Å; E265-M299 WeakPolarHBondContact OE1-CE 3.29Å; L287-M299 HydrophobicContact CB-SD 3.97Å; L287-M299 HydrophobicContact CD1-SD 4.12Å; L287-M299 HydrophobicContact CD2-CE 3.96Å; L287-M299 HydrophobicContact CD2-SD 3.84Å; L287-M299 HydrophobicContact CG-SD 4.19Å; L291-M299 HydrophobicContact CD1-CB 3.73Å; L291-M299 HydrophobicContact CD1-CG 3.79Å; N295-M299 HydrophobicContact CB-CG 4.41Å; N295-M299 WeakPolarHBondContact O-CG 3.38Å; N295-M299 PolarHBondContact O-N 3.13Å; M299-L302 HydrophobicContact CE-CD2 4.49Å; M299-S303 WeakPolarHBondContact O-CB 3.48Å; M299-S303 PolarHBondContact O-N 2.9Å; M299-S303 PolarHBondContact O-OG 3.04Å
300	L	90.6	Very high	88.5	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-50.9	174.8	177.3	62.3	0	0	0	111.5	C296 L297 G298 L302 S303 D304 W316	C296-L300 VanDerWaalsContact O-CB 3.24Å; C296-L300 WeakPolarHBondContact O-CB 3.14Å; C296-L300 PolarHBondContact O-N 3.36Å; L297-L300 PolarHBondContact O-N 3.38Å; G298-L300 VanDerWaalsContact C-N 3.28Å; G298-L300 PolarHBondContact O-N 2.99Å; L300-L302 PolarHBondContact O-N 2.91Å; L300-S303 PolarHBondContact O-N 3.16Å; L300-S303 PolarHBondContact O-OG 3.01Å; L300-D304 PolarHBondContact O-N 3.08Å; L300-W316 HydrophobicContact CD1-CE3 3.79Å; L300-W316 HydrophobicContact CD1-CZ3 4.47Å; L300-W316 HydrophobicContact CD2-CE3 3.61Å; L300-W316 HydrophobicContact CD2-CZ3 3.81Å; L300-W316 HydrophobicContact CG-CE3 4.34Å
301	L	89.9	Confident	88.5	Confident	65 Å²	65	49.5 Å²	49.5	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-45	178.2	-68.2	174.8	0	0	0	112.1	L297 G298 S303 D304 A305 L335 P336	L297-L301 WeakPolarHBondContact O-CG 3.48Å; L297-L301 PolarHBondContact O-N 2.86Å; G298-L301 PolarHBondContact O-N 3.07Å; L301-S303 VanDerWaalsContact C-N 3.33Å; L301-S303 PolarHBondContact O-N 3.11Å; L301-D304 PolarHBondContact O-N 3.14Å; L301-A305 PolarHBondContact O-N 2.75Å; L301-L335 HydrophobicContact CD1-CD2 4.1Å; L301-L335 HydrophobicContact CD2-CD2 4Å; L301-L335 HydrophobicContact CG-CD2 4.11Å; L301-P336 HydrophobicContact CD2-CG 4.09Å
302	L	89.7	Confident	88.5	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-42	176.6	-174.6	70.9	0	0	0	111.3	E265 L268 E269 L287 G298 M299 L300 D304 A305 H306	E265-L302 HydrophobicContact CB-CD2 4.23Å; E265-L302 HydrophobicContact CG-CD2 3.98Å; L268-L302 HydrophobicContact CD2-CD1 4.26Å; L268-L302 HydrophobicContact CD2-CD2 3.78Å; L268-L302 HydrophobicContact CD2-CG 3.78Å; E269-L302 HydrophobicContact CG-CD1 4.19Å; L287-L302 HydrophobicContact CD1-CD2 3.77Å; G298-L302 VanDerWaalsContact O-CB 3.32Å; G298-L302 WeakPolarHBondContact O-CB 3.44Å; G298-L302 PolarHBondContact O-N 3.37Å; M299-L302 HydrophobicContact CE-CD2 4.49Å; L300-L302 PolarHBondContact O-N 2.91Å; L302-D304 PolarHBondContact O-N 3.43Å; L302-A305 PolarHBondContact O-N 2.93Å; L302-H306 PolarHBondContact O-CD2 3.49Å; L302-H306 PolarHBondContact O-N 3.41Å
303	S	90.6	Very high	88.5	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	29%	0.294	C	S	.	.	H	α-helix	trans	-68.1	-31.9	178.9	73.8	0	0	0	0	113.8	M299 L300 L301 Q307 C308 S312	M299-S303 WeakPolarHBondContact O-CB 3.48Å; M299-S303 PolarHBondContact O-N 2.9Å; M299-S303 PolarHBondContact O-OG 3.04Å; L300-S303 PolarHBondContact O-N 3.16Å; L300-S303 PolarHBondContact O-OG 3.01Å; L301-S303 VanDerWaalsContact C-N 3.33Å; L301-S303 PolarHBondContact O-N 3.11Å; S303-Q307 CarbonylContact O-C 3.52Å; S303-Q307 WeakPolarHBondContact O-CA 3.47Å; S303-Q307 PolarHBondContact O-N 3.24Å; S303-C308 PolarHBondContact O-N 3.22Å; S303-S312 WeakPolarHBondContact OG-CA 3.45Å; S303-S312 VanDerWaalsContact OG-CB 3.22Å; S303-S312 WeakPolarHBondContact OG-CB 3.38Å; S303-S312 PolarHBondContact OG-OG 2.88Å
304	D	88.8	Confident	88.6	Confident	96 Å²	96	53.4 Å²	53.4	51%	0.513	30%	0.301	S	S	.	.	H	α-helix	trans	-71.7	-45.8	174.8	-171.3	60.3	0	0	0	110.5	L300 L301 L302 H306 Q307	L300-D304 PolarHBondContact O-N 3.08Å; L301-D304 PolarHBondContact O-N 3.14Å; L302-D304 PolarHBondContact O-N 3.43Å; D304-H306 VanDerWaalsContact C-N 3.35Å; D304-H306 PolarHBondContact O-N 2.93Å; D304-Q307 PolarHBondContact O-N 2.96Å
305	A	87.6	Confident	88.8	Confident	69 Å²	69	49.3 Å²	49.3	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-57.9	-42.8	177.1	0	0	0	0	0	113.1	L301 L302	L301-A305 PolarHBondContact O-N 2.75Å; L302-A305 PolarHBondContact O-N 2.93Å
306	H	87.5	Confident	88.9	Confident	31 Å²	31	49 Å²	49	14%	0.144	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	16.3	-179.3	-61.9	-63.6	0	0	0	114.3	L268 E269 D272 L302 D304 C308	L268-H306 HydrophobicContact CD2-CB 4.37Å; E269-H306 WeakPolarHBondContact CG-NE2 3.45Å; D272-H306 IonicContact OD2-CE1 3.64Å; D272-H306 IonicContact OD2-CG 3.82Å; D272-H306 IonicContact OD2-ND1 3.14Å; D272-H306 PolarHBondContact OD2-ND1 2.92Å; L302-H306 PolarHBondContact O-CD2 3.49Å; L302-H306 PolarHBondContact O-N 3.41Å; D304-H306 VanDerWaalsContact C-N 3.35Å; D304-H306 PolarHBondContact O-N 2.93Å; H306-C308 PolarHBondContact O-N 2.81Å; H306-C308 PolarHBondContact O-SG 2.89Å; H306-C308 VanDerWaalsContact O-SG 3.33Å
307	Q	86.1	Confident	88.7	Confident	166 Å²	166	50.8 Å²	50.8	78%	0.776	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	28.9	175.5	-54.7	-178.5	12.4	0	0	114.4	S303 D304 T309	S303-Q307 CarbonylContact O-C 3.52Å; S303-Q307 WeakPolarHBondContact O-CA 3.47Å; S303-Q307 PolarHBondContact O-N 3.24Å; D304-Q307 PolarHBondContact O-N 2.96Å; Q307-T309 VanDerWaalsContact C-N 3.29Å; Q307-T309 PolarHBondContact O-N 3.22Å
308	C	87.3	Confident	88.6	Confident	15 Å²	15	52.7 Å²	52.7	10%	0.101	30%	0.295	C	S	.	.			trans	-80.5	74.1	-177.1	-71.9	0	0	0	0	110.1	S303 H306 K310 L311 S312	S303-C308 PolarHBondContact O-N 3.22Å; H306-C308 PolarHBondContact O-N 2.81Å; H306-C308 PolarHBondContact O-SG 2.89Å; H306-C308 VanDerWaalsContact O-SG 3.33Å; C308-K310 VanDerWaalsContact C-N 3.32Å; C308-K310 PolarHBondContact O-N 3.42Å; C308-K310 VanDerWaalsContact O-N 3.16Å; C308-L311 HydrophobicContact CB-CB 4.2Å; C308-L311 PolarHBondContact O-N 3.42Å; C308-L311 VanDerWaalsContact O-N 3.11Å; C308-S312 PolarHBondContact O-N 3.21Å
309	T	87.1	Confident	88.6	Confident	103 Å²	103	50.9 Å²	50.9	63%	0.632	28%	0.276	S	S	*	.	H	α-helix	trans	-48.3	-45.4	-171.2	54.9	0	0	0	0	114.5	Q307 S312 E313	Q307-T309 VanDerWaalsContact C-N 3.29Å; Q307-T309 PolarHBondContact O-N 3.22Å; T309-S312 WeakPolarHBondContact O-CB 3.42Å; T309-S312 PolarHBondContact O-N 2.93Å; T309-E313 WeakPolarHBondContact O-CG 3.38Å; T309-E313 PolarHBondContact O-N 3.25Å
310	K	86.1	Confident	88.3	Confident	111 Å²	111	51.2 Å²	51.2	48%	0.483	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-39.6	-177.8	-173.1	170	157.4	-107.3	0	113.2	E288 C308 S312 L314	E288-K310 WeakPolarHBondContact OE1-CD 3.44Å; E288-K310 WeakPolarHBondContact OE1-CE 3.42Å; E288-K310 VanDerWaalsContact OE1-CG 3.23Å; E288-K310 WeakPolarHBondContact OE1-CG 3.38Å; E288-K310 IonicContact OE1-NZ 3.56Å; E288-K310 PolarHBondContact OE1-NZ 3.39Å; E288-K310 WeakPolarHBondContact OE2-CE 3.42Å; E288-K310 IonicContact OE2-NZ 3.67Å; E288-K310 PolarHBondContact OE2-NZ 3.45Å; C308-K310 VanDerWaalsContact C-N 3.32Å; C308-K310 PolarHBondContact O-N 3.42Å; C308-K310 VanDerWaalsContact O-N 3.16Å; K310-S312 VanDerWaalsContact C-N 3.32Å; K310-L314 WeakPolarHBondContact O-CG 3.3Å; K310-L314 PolarHBondContact O-N 3.02Å
311	L	89.8	Confident	87.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-37.6	172	-179.4	61.6	0	0	0	110.8	L287 E288 C308 L314 S315	L287-L311 HydrophobicContact CB-CD1 4.31Å; L287-L311 HydrophobicContact CB-CD2 4.09Å; L287-L311 HydrophobicContact CD1-CD2 4.27Å; E288-L311 HydrophobicContact CB-CD1 4.44Å; E288-L311 HydrophobicContact CG-CB 4.17Å; E288-L311 HydrophobicContact CG-CD1 3.89Å; C308-L311 HydrophobicContact CB-CB 4.2Å; C308-L311 PolarHBondContact O-N 3.42Å; C308-L311 VanDerWaalsContact O-N 3.11Å; L311-L314 PolarHBondContact O-N 3.12Å; L311-S315 VanDerWaalsContact O-CB 3.25Å; L311-S315 WeakPolarHBondContact O-CB 3.45Å; L311-S315 PolarHBondContact O-N 2.84Å; L311-S315 PolarHBondContact O-OG 3.37Å
312	S	89.6	Confident	87.6	Confident	30 Å²	30	52.8 Å²	52.8	21%	0.21	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-49.2	176.4	-167.1	0	0	0	0	112.2	S303 C308 T309 K310 L314 S315 W316	S303-S312 WeakPolarHBondContact OG-CA 3.45Å; S303-S312 VanDerWaalsContact OG-CB 3.22Å; S303-S312 WeakPolarHBondContact OG-CB 3.38Å; S303-S312 PolarHBondContact OG-OG 2.88Å; C308-S312 PolarHBondContact O-N 3.21Å; T309-S312 WeakPolarHBondContact O-CB 3.42Å; T309-S312 PolarHBondContact O-N 2.93Å; K310-S312 VanDerWaalsContact C-N 3.32Å; S312-L314 VanDerWaalsContact C-N 3.35Å; S312-L314 PolarHBondContact O-N 3.16Å; S312-S315 PolarHBondContact O-N 3.34Å; S312-W316 VanDerWaalsContact O-CB 3.29Å; S312-W316 WeakPolarHBondContact O-CB 3.31Å; S312-W316 PolarHBondContact O-N 3.1Å
313	E	88.1	Confident	87.5	Confident	148 Å²	148	52 Å²	52	69%	0.692	29%	0.286	S	S	*	.	H	α-helix	trans	-57.7	-44.4	176.8	-74.9	177.9	-174	0	0	112.3	T309 G317	T309-E313 WeakPolarHBondContact O-CG 3.38Å; T309-E313 PolarHBondContact O-N 3.25Å; E313-G317 PolarHBondContact O-N 3.13Å
314	L	87.2	Confident	87.2	Confident	83 Å²	83	54.3 Å²	54.3	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-68.1	-44	178	-69.3	172.2	0	0	0	112.1	E288 L291 K310 L311 S312 G317 M318	E288-L314 HydrophobicContact CB-CD1 4.26Å; E288-L314 HydrophobicContact CG-CD1 3.98Å; L291-L314 HydrophobicContact CD2-CB 3.89Å; K310-L314 WeakPolarHBondContact O-CG 3.3Å; K310-L314 PolarHBondContact O-N 3.02Å; L311-L314 PolarHBondContact O-N 3.12Å; S312-L314 VanDerWaalsContact C-N 3.35Å; S312-L314 PolarHBondContact O-N 3.16Å; L314-G317 PolarHBondContact O-N 3.05Å; L314-M318 PolarHBondContact O-N 3.29Å
315	S	91.1	Very high	87	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-42.9	177.4	-57.8	0	0	0	0	111.1	L311 S312 M318 C319	L311-S315 VanDerWaalsContact O-CB 3.25Å; L311-S315 WeakPolarHBondContact O-CB 3.45Å; L311-S315 PolarHBondContact O-N 2.84Å; L311-S315 PolarHBondContact O-OG 3.37Å; S312-S315 PolarHBondContact O-N 3.34Å; S315-M318 PolarHBondContact O-N 2.82Å; S315-C319 PolarHBondContact O-N 3.1Å; S315-C319 PolarHBondContact O-SG 2.89Å
316	W	90.3	Very high	87	Confident	44 Å²	44	49.6 Å²	49.6	17%	0.167	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-47.3	176.1	-164.8	-102.6	0	0	0	111.9	L300 S312 M318 C319 L320 M339 Q342 L343 H346	L300-W316 HydrophobicContact CD1-CE3 3.79Å; L300-W316 HydrophobicContact CD1-CZ3 4.47Å; L300-W316 HydrophobicContact CD2-CE3 3.61Å; L300-W316 HydrophobicContact CD2-CZ3 3.81Å; L300-W316 HydrophobicContact CG-CE3 4.34Å; S312-W316 VanDerWaalsContact O-CB 3.29Å; S312-W316 WeakPolarHBondContact O-CB 3.31Å; S312-W316 PolarHBondContact O-N 3.1Å; W316-M318 VanDerWaalsContact C-N 3.28Å; W316-M318 PolarHBondContact O-N 3.22Å; W316-C319 WeakPolarHBondContact O-CB 3.35Å; W316-C319 PolarHBondContact O-N 2.69Å; W316-C319 VanDerWaalsContact O-N 3.16Å; W316-L320 HydrophobicContact CG-CD1 4.49Å; W316-L320 VanDerWaalsContact O-CG 3.3Å; W316-L320 WeakPolarHBondContact O-CG 3.29Å; W316-L320 PolarHBondContact O-N 2.82Å; W316-M339 HydrophobicContact CZ3-SD 4.11Å; W316-Q342 HydrophobicContact CH2-CB 3.69Å; W316-Q342 HydrophobicContact CZ2-CB 4.09Å; W316-L343 HydrophobicContact CH2-CB 3.92Å; W316-L343 HydrophobicContact CH2-CD1 4.31Å; W316-L343 HydrophobicContact CZ2-CB 4.35Å; W316-L343 HydrophobicContact CZ2-CD1 4.31Å; W316-H346 AromaticContact NE1-CD2 3.64Å; W316-H346 AromaticContact NE1-NE2 3.65Å
317	G	85.5	Confident	86.9	Confident	37 Å²	37	48.7 Å²	48.7	38%	0.381	27%	0.272	S	S	.	.	H	α-helix	trans	-59.4	-36.9	175.1	0	0	0	0	0	113.4	E313 L314 S321	E313-G317 PolarHBondContact O-N 3.13Å; L314-G317 PolarHBondContact O-N 3.05Å; G317-S321 PolarHBondContact O-N 3.12Å; G317-S321 PolarHBondContact O-OG 3.38Å
318	M	86.9	Confident	86.8	Confident	45 Å²	45	48.5 Å²	48.5	22%	0.222	27%	0.269	C	S	.	.	H	α-helix	trans	-71.1	-38.3	175	-166.9	168.9	-66.3	0	0	112.6	L291 P293 C296 L314 S315 W316 S321 N322	L291-M318 HydrophobicContact CB-CE 4.3Å; L291-M318 HydrophobicContact CD2-CB 4.36Å; L291-M318 HydrophobicContact CD2-CE 3.81Å; L291-M318 HydrophobicContact CD2-SD 4.28Å; L291-M318 HydrophobicContact CG-CE 3.72Å; L291-M318 HydrophobicContact CG-SD 3.83Å; P293-M318 HydrophobicContact CG-CG 4.4Å; P293-M318 HydrophobicContact CG-SD 4.04Å; P293-M318 VanDerWaalsContact N-SD 3.43Å; C296-M318 HydrophobicContact CB-CB 4.26Å; C296-M318 HydrophobicContact CB-CG 4.15Å; C296-M318 HydrophobicContact CB-SD 4.13Å; L314-M318 PolarHBondContact O-N 3.29Å; S315-M318 PolarHBondContact O-N 2.82Å; W316-M318 VanDerWaalsContact C-N 3.28Å; W316-M318 PolarHBondContact O-N 3.22Å; M318-S321 WeakPolarHBondContact CA-OG 3.25Å; M318-S321 PolarHBondContact O-N 3.07Å; M318-S321 PolarHBondContact O-OG 2.71Å; M318-S321 VanDerWaalsContact O-OG 3.13Å; M318-N322 PolarHBondContact O-N 3.25Å; M318-N322 VanDerWaalsContact O-N 3.1Å; M318-N322 PolarHBondContact O-ND2 2.88Å
319	C	89.2	Confident	86.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-43.8	174.6	-67.8	0	0	0	0	111.9	S315 W316 S321 F323 I326 L343	S315-C319 PolarHBondContact O-N 3.1Å; S315-C319 PolarHBondContact O-SG 2.89Å; W316-C319 WeakPolarHBondContact O-CB 3.35Å; W316-C319 PolarHBondContact O-N 2.69Å; W316-C319 VanDerWaalsContact O-N 3.16Å; C319-S321 PolarHBondContact O-N 3.5Å; C319-F323 PolarHBondContact O-N 2.9Å; C319-F323 VanDerWaalsContact O-N 3.17Å; C319-I326 HydrophobicContact CB-CD1 4.38Å; C319-L343 HydrophobicContact CB-CD1 4.08Å
320	L	85.9	Confident	86.7	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-38	179.6	-69	171	0	0	0	112.8	W316 L343 H346 L349 E350	W316-L320 HydrophobicContact CG-CD1 4.49Å; W316-L320 VanDerWaalsContact O-CG 3.3Å; W316-L320 WeakPolarHBondContact O-CG 3.29Å; W316-L320 PolarHBondContact O-N 2.82Å; L320-L343 HydrophobicContact CD2-CD1 3.85Å; L320-L343 HydrophobicContact CG-CD1 4.42Å; L320-H346 VanDerWaalsContact CD1-CE1 3.45Å; L320-H346 WeakPolarHBondContact CD1-CE1 3.38Å; L320-H346 VanDerWaalsContact CD1-ND1 3.31Å; L320-H346 WeakPolarHBondContact CD1-ND1 3.29Å; L320-H346 HydrophobicContact CD2-CB 3.66Å; L320-H346 WeakPolarHBondContact CD2-ND1 3.45Å; L320-L349 HydrophobicContact CD2-CB 4.01Å; L320-L349 HydrophobicContact CD2-CD1 3.81Å; L320-E350 WeakPolarHBondContact O-CB 3.35Å; L320-E350 PolarHBondContact O-N 3.17Å
321	S	82	Confident	86.8	Confident	46 Å²	46	50.2 Å²	50.2	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-81.8	-25.2	-177.5	48	0	0	0	0	114.2	G317 M318 C319	G317-S321 PolarHBondContact O-N 3.12Å; G317-S321 PolarHBondContact O-OG 3.38Å; M318-S321 WeakPolarHBondContact CA-OG 3.25Å; M318-S321 PolarHBondContact O-N 3.07Å; M318-S321 PolarHBondContact O-OG 2.71Å; M318-S321 VanDerWaalsContact O-OG 3.13Å; C319-S321 PolarHBondContact O-N 3.5Å
322	N	84.1	Confident	86.8	Confident	56 Å²	56	50.2 Å²	50.2	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-112.3	14.5	-176.9	-63.3	-84.3	0	0	0	114	P293 M318 P324 A325 I326	P293-N322 HydrophobicContact CB-CB 4.16Å; M318-N322 PolarHBondContact O-N 3.25Å; M318-N322 VanDerWaalsContact O-N 3.1Å; M318-N322 PolarHBondContact O-ND2 2.88Å; N322-P324 VanDerWaalsContact C-N 3.32Å; N322-P324 VanDerWaalsContact O-N 3.1Å; N322-A325 PolarHBondContact O-N 3.23Å; N322-I326 HydrophobicContact CB-CD1 3.87Å; N322-I326 HydrophobicContact CB-CG1 4.38Å; N322-I326 WeakPolarHBondContact O-CG1 3.35Å; N322-I326 PolarHBondContact O-N 3.23Å
323	F	86.9	Confident	86.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-46.1	-41.5	-176.6	-178	-96.2	0	0	0	115.5	C319 A325 I326 C327 F332 L343 L344 L349 T351 V357 A360	C319-F323 PolarHBondContact O-N 2.9Å; C319-F323 VanDerWaalsContact O-N 3.17Å; F323-A325 PolarHBondContact O-N 2.9Å; F323-I326 PolarHBondContact O-N 3.25Å; F323-I326 VanDerWaalsContact O-N 3.14Å; F323-C327 HydrophobicContact CD1-CB 4.45Å; F323-C327 HydrophobicContact CE1-CB 4.02Å; F323-C327 HydrophobicContact CE2-CB 4.16Å; F323-C327 HydrophobicContact CZ-CB 3.87Å; F323-C327 WeakPolarHBondContact O-CB 3.45Å; F323-C327 PolarHBondContact O-N 3.15Å; F323-C327 PolarHBondContact O-SG 3.05Å; F323-C327 VanDerWaalsContact O-SG 3.37Å; F323-F332 HydrophobicContact CE2-CE2 4.08Å; F323-F332 HydrophobicContact CE2-CZ 4.37Å; F323-L343 HydrophobicContact CD2-CD2 4.14Å; F323-L343 HydrophobicContact CE2-CD2 4.2Å; F323-L344 HydrophobicContact CE2-CD2 3.66Å; F323-L344 HydrophobicContact CZ-CD2 3.5Å; F323-L344 VanDerWaalsContact CZ-CD2 3.5Å; F323-L349 HydrophobicContact CB-CD1 3.76Å; F323-L349 HydrophobicContact CB-CG 4.33Å; F323-L349 HydrophobicContact CD1-CD1 4.45Å; F323-L349 HydrophobicContact CD1-CD2 4.3Å; F323-L349 HydrophobicContact CD2-CD1 3.67Å; F323-L349 HydrophobicContact CD2-CD2 4.46Å; F323-L349 HydrophobicContact CE1-CD2 4.38Å; F323-L349 HydrophobicContact CE2-CD1 4.36Å; F323-L349 HydrophobicContact CG-CD1 3.7Å; F323-L349 HydrophobicContact CG-CD2 4.32Å; F323-L349 HydrophobicContact CG-CG 4.2Å; F323-T351 HydrophobicContact CD1-CG2 3.45Å; F323-T351 VanDerWaalsContact CD1-CG2 3.45Å; F323-T351 HydrophobicContact CE1-CG2 3.94Å; F323-T351 HydrophobicContact CG-CG2 4.32Å; F323-V357 HydrophobicContact CE1-CG2 4.27Å; F323-A360 HydrophobicContact CE1-CB 4.45Å; F323-A360 HydrophobicContact CZ-CB 3.84Å
324	P	83.1	Confident	86.7	Confident	49 Å²	49	48.9 Å²	48.9	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-19.2	-179.6	-24	35.8	0	0	0	115.8	N322 L356	N322-P324 VanDerWaalsContact C-N 3.32Å; N322-P324 VanDerWaalsContact O-N 3.1Å; P324-L356 HydrophobicContact CB-CD1 4.38Å
325	A	84.8	Confident	86.8	Confident	64 Å²	64	45.1 Å²	45.1	53%	0.529	25%	0.247	S	C	.	.	H	α-helix	trans	-89.7	-43	171.1	0	0	0	0	0	110.9	N322 F323 K328	N322-A325 PolarHBondContact O-N 3.23Å; F323-A325 PolarHBondContact O-N 2.9Å; A325-K328 PolarHBondContact O-N 3.48Å
326	I	87.4	Confident	86.7	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-38.8	-175.4	-64.5	166.8	0	0	0	112.1	C296 L297 C319 N322 F323 K328 T329 F332	C296-I326 WeakPolarHBondContact SG-CD1 3.35Å; L297-I326 HydrophobicContact CD1-CG2 3.43Å; L297-I326 VanDerWaalsContact CD1-CG2 3.43Å; L297-I326 HydrophobicContact CD2-CG2 3.89Å; L297-I326 HydrophobicContact CG-CG2 3.64Å; C319-I326 HydrophobicContact CB-CD1 4.38Å; N322-I326 HydrophobicContact CB-CD1 3.87Å; N322-I326 HydrophobicContact CB-CG1 4.38Å; N322-I326 WeakPolarHBondContact O-CG1 3.35Å; N322-I326 PolarHBondContact O-N 3.23Å; F323-I326 PolarHBondContact O-N 3.25Å; F323-I326 VanDerWaalsContact O-N 3.14Å; I326-K328 PolarHBondContact O-N 3Å; I326-T329 PolarHBondContact O-N 2.85Å; I326-T329 PolarHBondContact O-OG1 3.36Å; I326-F332 HydrophobicContact CG2-CD2 4.45Å; I326-F332 WeakPolarHBondContact O-CB 3.37Å
327	C	85.6	Confident	86.7	Confident	11 Å²	11	48.3 Å²	48.3	7%	0.074	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-5.1	-178.4	68.1	0	0	0	0	114.9	F323 A360	F323-C327 HydrophobicContact CD1-CB 4.45Å; F323-C327 HydrophobicContact CE1-CB 4.02Å; F323-C327 HydrophobicContact CE2-CB 4.16Å; F323-C327 HydrophobicContact CZ-CB 3.87Å; F323-C327 WeakPolarHBondContact O-CB 3.45Å; F323-C327 PolarHBondContact O-N 3.15Å; F323-C327 PolarHBondContact O-SG 3.05Å; F323-C327 VanDerWaalsContact O-SG 3.37Å; C327-A360 HydrophobicContact CB-CB 3.8Å
328	K	84.8	Confident	86.8	Confident	163 Å²	163	51 Å²	51	71%	0.709	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-5.7	178.5	-58.2	178.3	-175.3	175.1	0	113.4	A325 I326	A325-K328 PolarHBondContact O-N 3.48Å; I326-K328 PolarHBondContact O-N 3Å
329	T	87.6	Confident	86.8	Confident	49 Å²	49	50.1 Å²	50.1	30%	0.301	27%	0.271	S	S	.	.	S	Bend	trans	-84.5	154.6	179	71.3	0	0	0	0	111.3	I326 D331 F332	I326-T329 PolarHBondContact O-N 2.85Å; I326-T329 PolarHBondContact O-OG1 3.36Å; T329-D331 VanDerWaalsContact C-N 3.26Å; T329-D331 PolarHBondContact O-N 3Å; T329-F332 PolarHBondContact O-N 3.23Å
330	E	85.4	Confident	86.9	Confident	140 Å²	140	50.1 Å²	50.1	65%	0.654	27%	0.271	S	S	*	.	H	α-helix	trans	-65.9	-32	175.3	-64.5	-172.3	177.1	0	0	111.5	F332 L333 Q334	E330-F332 PolarHBondContact O-N 2.84Å; E330-L333 WeakPolarHBondContact O-CA 3.3Å; E330-L333 WeakPolarHBondContact O-CB 3.47Å; E330-L333 PolarHBondContact O-N 3.09Å; E330-Q334 PolarHBondContact O-N 2.88Å; E330-Q334 VanDerWaalsContact O-N 3.17Å
331	D	86.8	Confident	87.1	Confident	76 Å²	76	50.7 Å²	50.7	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-56	-39.3	176.3	-42	-41.6	0	0	0	111.7	L297 T329 L333 Q334 L335	L297-D331 HydrophobicContact CB-CB 4.29Å; L297-D331 HydrophobicContact CD1-CB 3.9Å; T329-D331 VanDerWaalsContact C-N 3.26Å; T329-D331 PolarHBondContact O-N 3Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.26Å; D331-Q334 PolarHBondContact O-N 3.27Å; D331-Q334 VanDerWaalsContact O-N 3.15Å; D331-L335 PolarHBondContact O-N 3.34Å
332	F	89.8	Confident	87.4	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-38.3	175.9	-179.8	-97.6	0	0	0	111.9	L297 F323 I326 T329 E330 Q334 L335 V340 L343 A360 W364	L297-F332 HydrophobicContact CD1-CB 3.87Å; F323-F332 HydrophobicContact CE2-CE2 4.08Å; F323-F332 HydrophobicContact CE2-CZ 4.37Å; I326-F332 HydrophobicContact CG2-CD2 4.45Å; I326-F332 WeakPolarHBondContact O-CB 3.37Å; T329-F332 PolarHBondContact O-N 3.23Å; E330-F332 PolarHBondContact O-N 2.84Å; F332-Q334 PolarHBondContact O-N 3.47Å; F332-L335 HydrophobicContact CD2-CD1 3.58Å; F332-L335 HydrophobicContact CE2-CD1 4.04Å; F332-L335 HydrophobicContact CG-CD1 4.33Å; F332-L335 WeakPolarHBondContact O-CB 3.23Å; F332-L335 PolarHBondContact O-N 2.99Å; F332-V340 HydrophobicContact CZ-CG1 4.28Å; F332-L343 HydrophobicContact CE2-CD2 4.15Å; F332-A360 HydrophobicContact CE1-CB 3.95Å; F332-A360 HydrophobicContact CZ-CB 4.13Å; F332-W364 HydrophobicContact CE1-CB 4.24Å
333	L	88	Confident	87.6	Confident	35 Å²	35	50.4 Å²	50.4	18%	0.183	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-22	177.5	-55.8	177.2	0	0	0	112.4	E330 D331 N363 Y367 R372	E330-L333 WeakPolarHBondContact O-CA 3.3Å; E330-L333 WeakPolarHBondContact O-CB 3.47Å; E330-L333 PolarHBondContact O-N 3.09Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.26Å; L333-N363 HydrophobicContact CD2-CB 4.22Å; L333-Y367 HydrophobicContact CB-CD1 4.34Å; L333-Y367 HydrophobicContact CB-CD2 3.9Å; L333-Y367 HydrophobicContact CB-CE2 4.27Å; L333-Y367 HydrophobicContact CB-CG 3.93Å; L333-Y367 HydrophobicContact CD1-CD2 3.79Å; L333-Y367 HydrophobicContact CD1-CE2 4.32Å; L333-Y367 HydrophobicContact CD1-CG 4.45Å; L333-Y367 HydrophobicContact CG-CD2 4.42Å; L333-R372 VanDerWaalsContact O-CZ 3.28Å; L333-R372 PolarHBondContact O-NH1 2.84Å; L333-R372 PolarHBondContact O-NH2 3.45Å
334	Q	88.3	Confident	87.7	Confident	116 Å²	116	50.4 Å²	50.4	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-86.7	-12.7	176.9	-63.1	-176.8	31.6	0	0	113.7	E330 D331 F332	E330-Q334 PolarHBondContact O-N 2.88Å; E330-Q334 VanDerWaalsContact O-N 3.17Å; D331-Q334 PolarHBondContact O-N 3.27Å; D331-Q334 VanDerWaalsContact O-N 3.15Å; F332-Q334 PolarHBondContact O-N 3.47Å
335	L	89.4	Confident	87.8	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	27%	0.271	C	S	.	.	S	Bend	trans	-57.7	143.2	-176.3	-71.5	174.6	0	0	0	114	L297 L301 D331 F332 V340 W364	L297-L335 HydrophobicContact CD1-CD1 4.12Å; L297-L335 HydrophobicContact CD1-CG 4.42Å; L297-L335 HydrophobicContact CD2-CD1 3.91Å; L297-L335 HydrophobicContact CD2-CD2 4.23Å; L301-L335 HydrophobicContact CD1-CD2 4.1Å; L301-L335 HydrophobicContact CD2-CD2 4Å; L301-L335 HydrophobicContact CG-CD2 4.11Å; D331-L335 PolarHBondContact O-N 3.34Å; F332-L335 HydrophobicContact CD2-CD1 3.58Å; F332-L335 HydrophobicContact CE2-CD1 4.04Å; F332-L335 HydrophobicContact CG-CD1 4.33Å; F332-L335 WeakPolarHBondContact O-CB 3.23Å; F332-L335 PolarHBondContact O-N 2.99Å; L335-V340 HydrophobicContact CB-CG2 3.55Å; L335-V340 HydrophobicContact CD1-CG2 4.09Å; L335-V340 HydrophobicContact CG-CG2 4.5Å; L335-W364 PolarHBondContact O-NE1 2.89Å
336	P	89.8	Confident	87.8	Confident	68 Å²	68	50.4 Å²	50.4	44%	0.442	26%	0.258	S	S	.	.			trans	-59.7	146	170	-22.9	33.6	0	0	0	112.9	L301 D338 M339 V340	L301-P336 HydrophobicContact CD2-CG 4.09Å; P336-D338 VanDerWaalsContact C-N 3.3Å; P336-D338 PolarHBondContact O-N 3.46Å; P336-M339 PolarHBondContact O-N 2.72Å; P336-M339 VanDerWaalsContact O-N 3.16Å; P336-V340 PolarHBondContact O-N 3.46Å; P336-V340 VanDerWaalsContact O-N 3.13Å
337	K	88.6	Confident	87.1	Confident	43 Å²	43	53 Å²	53	19%	0.187	27%	0.27	C	S	.	.	H	α-helix	trans	-48.3	-48.5	179.8	-179.5	-129.6	165.1	-153.5	0	112.8	M339 V340 V341 W364 Y375 E378	K337-M339 PolarHBondContact O-N 3.22Å; K337-V340 PolarHBondContact O-N 2.86Å; K337-V341 HydrophobicContact CG-CG2 4.47Å; K337-V341 WeakPolarHBondContact O-CG2 3.26Å; K337-V341 PolarHBondContact O-N 3.39Å; K337-W364 HydrophobicContact CB-CH2 3.87Å; K337-W364 HydrophobicContact CB-CZ2 4.24Å; K337-W364 HydrophobicContact CG-CH2 4.16Å; K337-Y375 HydrophobicContact CD-CD1 3.79Å; K337-Y375 HydrophobicContact CD-CD2 4.44Å; K337-Y375 HydrophobicContact CD-CE1 3.88Å; K337-Y375 HydrophobicContact CD-CG 4.1Å; K337-Y375 HydrophobicContact CG-CD1 4.17Å; K337-Y375 HydrophobicContact CG-CD2 4.04Å; K337-Y375 HydrophobicContact CG-CE1 4.49Å; K337-Y375 HydrophobicContact CG-CE2 4.39Å; K337-Y375 HydrophobicContact CG-CG 3.94Å; K337-E378 VanDerWaalsContact CE-CD 3.48Å; K337-E378 WeakPolarHBondContact CE-OE1 3.46Å; K337-E378 WeakPolarHBondContact CE-OE2 3.43Å; K337-E378 IonicContact NZ-OE1 2.68Å; K337-E378 PolarHBondContact NZ-OE1 3.39Å; K337-E378 IonicContact NZ-OE2 2.63Å; K337-E378 PolarHBondContact NZ-OE2 3.14Å
338	D	88.3	Confident	86.5	Confident	94 Å²	94	57.1 Å²	57.1	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-69	-34.7	-173.8	-60	-41.3	0	0	0	112.3	P336 Q342	P336-D338 VanDerWaalsContact C-N 3.3Å; P336-D338 PolarHBondContact O-N 3.46Å; D338-Q342 WeakPolarHBondContact O-CB 3.33Å; D338-Q342 WeakPolarHBondContact O-CG 3.34Å; D338-Q342 PolarHBondContact O-N 2.97Å
339	M	87.9	Confident	86.1	Confident	25 Å²	25	49.3 Å²	49.3	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-43.9	172.4	-72.1	-64.8	107.3	0	0	111.8	W316 P336 K337 Q342 L343	W316-M339 HydrophobicContact CZ3-SD 4.11Å; P336-M339 PolarHBondContact O-N 2.72Å; P336-M339 VanDerWaalsContact O-N 3.16Å; K337-M339 PolarHBondContact O-N 3.22Å; M339-Q342 PolarHBondContact O-N 3.23Å; M339-L343 VanDerWaalsContact O-CB 3.31Å; M339-L343 WeakPolarHBondContact O-CB 3.3Å; M339-L343 PolarHBondContact O-N 2.99Å
340	V	90.8	Very high	85.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-45.6	177.1	178.6	0	0	0	0	111.1	F332 L335 P336 K337 Q342 L343 L344 W364 L379	F332-V340 HydrophobicContact CZ-CG1 4.28Å; L335-V340 HydrophobicContact CB-CG2 3.55Å; L335-V340 HydrophobicContact CD1-CG2 4.09Å; L335-V340 HydrophobicContact CG-CG2 4.5Å; P336-V340 PolarHBondContact O-N 3.46Å; P336-V340 VanDerWaalsContact O-N 3.13Å; K337-V340 PolarHBondContact O-N 2.86Å; V340-Q342 VanDerWaalsContact C-N 3.35Å; V340-Q342 PolarHBondContact O-N 3.31Å; V340-L343 PolarHBondContact O-N 3.39Å; V340-L344 HydrophobicContact CG1-CD1 3.71Å; V340-L344 HydrophobicContact CG1-CG 4.07Å; V340-L344 WeakPolarHBondContact O-CB 3.27Å; V340-L344 VanDerWaalsContact O-CG 3.28Å; V340-L344 WeakPolarHBondContact O-CG 2.97Å; V340-L344 PolarHBondContact O-N 3.34Å; V340-W364 HydrophobicContact CG2-CD2 4.48Å; V340-W364 HydrophobicContact CG2-CG 4.45Å; V340-L379 HydrophobicContact CG1-CD2 3.85Å
341	V	90.1	Very high	84.3	Confident	23 Å²	23	44 Å²	44	14%	0.139	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-45	176.5	170.9	0	0	0	0	110.8	K337 S345 E378 L379 T382	K337-V341 HydrophobicContact CG-CG2 4.47Å; K337-V341 WeakPolarHBondContact O-CG2 3.26Å; K337-V341 PolarHBondContact O-N 3.39Å; V341-S345 WeakPolarHBondContact O-CB 3.39Å; V341-S345 PolarHBondContact O-N 3.29Å; V341-S345 PolarHBondContact O-OG 3.24Å; V341-S345 VanDerWaalsContact O-OG 3.11Å; V341-E378 HydrophobicContact CG2-CG 4.43Å; V341-L379 HydrophobicContact CG2-CD2 3.78Å; V341-L379 HydrophobicContact CG2-CG 4.38Å; V341-T382 HydrophobicContact CG1-CG2 4.07Å
342	Q	88.4	Confident	82.9	Confident	93 Å²	93	46.7 Å²	46.7	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-61.6	-49.8	176.6	-74.5	176.3	27	0	0	111.8	W316 D338 M339 V340 S345 H346	W316-Q342 HydrophobicContact CH2-CB 3.69Å; W316-Q342 HydrophobicContact CZ2-CB 4.09Å; D338-Q342 WeakPolarHBondContact O-CB 3.33Å; D338-Q342 WeakPolarHBondContact O-CG 3.34Å; D338-Q342 PolarHBondContact O-N 2.97Å; M339-Q342 PolarHBondContact O-N 3.23Å; V340-Q342 VanDerWaalsContact C-N 3.35Å; V340-Q342 PolarHBondContact O-N 3.31Å; Q342-S345 PolarHBondContact O-N 2.91Å; Q342-S345 PolarHBondContact O-OG 3.17Å; Q342-H346 PolarHBondContact O-N 2.97Å; Q342-H346 VanDerWaalsContact O-N 3.14Å
343	L	88.7	Confident	81.8	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-49.2	-178.4	-174.3	69.7	0	0	0	112	W316 C319 L320 F323 F332 M339 V340 S345 H346 L349	W316-L343 HydrophobicContact CH2-CB 3.92Å; W316-L343 HydrophobicContact CH2-CD1 4.31Å; W316-L343 HydrophobicContact CZ2-CB 4.35Å; W316-L343 HydrophobicContact CZ2-CD1 4.31Å; C319-L343 HydrophobicContact CB-CD1 4.08Å; L320-L343 HydrophobicContact CD2-CD1 3.85Å; L320-L343 HydrophobicContact CG-CD1 4.42Å; F323-L343 HydrophobicContact CD2-CD2 4.14Å; F323-L343 HydrophobicContact CE2-CD2 4.2Å; F332-L343 HydrophobicContact CE2-CD2 4.15Å; M339-L343 VanDerWaalsContact O-CB 3.31Å; M339-L343 WeakPolarHBondContact O-CB 3.3Å; M339-L343 PolarHBondContact O-N 2.99Å; V340-L343 PolarHBondContact O-N 3.39Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.14Å; L343-H346 WeakPolarHBondContact O-CB 3.4Å; L343-H346 PolarHBondContact O-N 3.01Å; L343-L349 HydrophobicContact CD1-CD1 4.16Å; L343-L349 HydrophobicContact CG-CD1 4.21Å
344	L	87.9	Confident	81.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-30.4	179.5	-60.8	-177.6	0	0	0	112.3	F323 V340 H346 V357 A361 L379 T382 R438	F323-L344 HydrophobicContact CE2-CD2 3.66Å; F323-L344 HydrophobicContact CZ-CD2 3.5Å; F323-L344 VanDerWaalsContact CZ-CD2 3.5Å; V340-L344 HydrophobicContact CG1-CD1 3.71Å; V340-L344 HydrophobicContact CG1-CG 4.07Å; V340-L344 WeakPolarHBondContact O-CB 3.27Å; V340-L344 VanDerWaalsContact O-CG 3.28Å; V340-L344 WeakPolarHBondContact O-CG 2.97Å; V340-L344 PolarHBondContact O-N 3.34Å; L344-H346 VanDerWaalsContact C-N 3.31Å; L344-H346 PolarHBondContact O-N 3Å; L344-V357 HydrophobicContact CB-CG1 4.38Å; L344-V357 HydrophobicContact CD2-CG1 3.84Å; L344-A361 HydrophobicContact CD1-CB 3.97Å; L344-L379 HydrophobicContact CD1-CD2 4Å; L344-T382 WeakPolarHBondContact CB-OG1 3.35Å; L344-R438 PolarHBondContact O-NH1 3Å; L344-R438 PolarHBondContact O-NH2 3.01Å
345	S	86.4	Confident	80.9	Confident	60 Å²	60	44.9 Å²	44.9	42%	0.42	23%	0.226	S	C	.	.	H	α-helix	trans	-74.2	-18.5	175.3	77.2	0	0	0	0	114.2	V341 Q342 L343 E347	V341-S345 WeakPolarHBondContact O-CB 3.39Å; V341-S345 PolarHBondContact O-N 3.29Å; V341-S345 PolarHBondContact O-OG 3.24Å; V341-S345 VanDerWaalsContact O-OG 3.11Å; Q342-S345 PolarHBondContact O-N 2.91Å; Q342-S345 PolarHBondContact O-OG 3.17Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.14Å; S345-E347 PolarHBondContact O-N 2.98Å
346	H	83.5	Confident	80.6	Confident	53 Å²	53	46.9 Å²	46.9	25%	0.245	24%	0.237	C	C	.	.			trans	-64.6	130.2	-167.9	-155	-99.8	0	0	0	112.7	W316 L320 Q342 L343 L344 E348 L349 R438	W316-H346 AromaticContact NE1-CD2 3.64Å; W316-H346 AromaticContact NE1-NE2 3.65Å; L320-H346 VanDerWaalsContact CD1-CE1 3.45Å; L320-H346 WeakPolarHBondContact CD1-CE1 3.38Å; L320-H346 VanDerWaalsContact CD1-ND1 3.31Å; L320-H346 WeakPolarHBondContact CD1-ND1 3.29Å; L320-H346 HydrophobicContact CD2-CB 3.66Å; L320-H346 WeakPolarHBondContact CD2-ND1 3.45Å; Q342-H346 PolarHBondContact O-N 2.97Å; Q342-H346 VanDerWaalsContact O-N 3.14Å; L343-H346 WeakPolarHBondContact O-CB 3.4Å; L343-H346 PolarHBondContact O-N 3.01Å; L344-H346 VanDerWaalsContact C-N 3.31Å; L344-H346 PolarHBondContact O-N 3Å; H346-E348 IonicContact CE1-OE2 2.78Å; H346-E348 PolarHBondContact ND1-N 2.7Å; H346-E348 PolarHBondContact O-N 2.96Å; H346-L349 PolarHBondContact O-N 3.39Å; H346-R438 PolarHBondContact O-NH1 2.84Å
347	E	72.5	Confident	80.5	Confident	59 Å²	59	43.7 Å²	43.7	28%	0.276	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.2	-177.7	-71.7	-165.8	147.2	0	0	113	S345 R436 R438 K439	S345-E347 PolarHBondContact O-N 2.98Å; E347-R436 IonicContact OE1-CZ 2.67Å; E347-R436 IonicContact OE1-NH1 2.78Å; E347-R436 PolarHBondContact OE1-NH1 2.81Å; E347-R436 IonicContact OE1-NH2 3.26Å; E347-R436 PolarHBondContact OE1-NH2 2.82Å; E347-R436 IonicContact OE2-NH2 3.41Å; E347-R438 WeakPolarHBondContact O-CG 3.45Å; E347-K439 HydrophobicContact CB-CD 3.94Å; E347-K439 HydrophobicContact CB-CG 4.21Å; E347-K439 PolarHBondContact O-N 2.83Å; E347-K439 WeakPolarHBondContact OE2-CE 3.23Å; E347-K439 IonicContact OE2-NZ 3.92Å; E347-K439 PolarHBondContact OE2-NZ 2.92Å
348	E	73.1	Confident	80.4	Confident	96 Å²	96	41.9 Å²	41.9	45%	0.449	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	4.3	-172.4	-54.3	-179.1	166.1	0	0	113.7	H346 E350 K439	H346-E348 IonicContact CE1-OE2 2.78Å; H346-E348 PolarHBondContact ND1-N 2.7Å; H346-E348 PolarHBondContact O-N 2.96Å; E348-E350 PolarHBondContact O-N 3.1Å; E348-K439 HydrophobicContact CG-CD 3.93Å; E348-K439 IonicContact OE1-NZ 3.03Å
349	L	77.8	Confident	80.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.			trans	-56.9	125.9	174.2	-174.6	81.4	0	0	0	110.1	L320 F323 L343 H346 T351 V357 R438 T440	L320-L349 HydrophobicContact CD2-CB 4.01Å; L320-L349 HydrophobicContact CD2-CD1 3.81Å; F323-L349 HydrophobicContact CB-CD1 3.76Å; F323-L349 HydrophobicContact CB-CG 4.33Å; F323-L349 HydrophobicContact CD1-CD1 4.45Å; F323-L349 HydrophobicContact CD1-CD2 4.3Å; F323-L349 HydrophobicContact CD2-CD1 3.67Å; F323-L349 HydrophobicContact CD2-CD2 4.46Å; F323-L349 HydrophobicContact CE1-CD2 4.38Å; F323-L349 HydrophobicContact CE2-CD1 4.36Å; F323-L349 HydrophobicContact CG-CD1 3.7Å; F323-L349 HydrophobicContact CG-CD2 4.32Å; F323-L349 HydrophobicContact CG-CG 4.2Å; L343-L349 HydrophobicContact CD1-CD1 4.16Å; L343-L349 HydrophobicContact CG-CD1 4.21Å; H346-L349 PolarHBondContact O-N 3.39Å; L349-T351 HydrophobicContact CD2-CG2 3.85Å; L349-T351 HydrophobicContact CG-CG2 4.04Å; L349-T351 PolarHBondContact O-N 3.46Å; L349-V357 HydrophobicContact CD2-CG2 4.2Å; L349-R438 HydrophobicContact CB-CG 4.36Å; L349-R438 WeakPolarHBondContact O-CD 3.37Å; L349-R438 WeakPolarHBondContact O-CG 3.46Å; L349-T440 PolarHBondContact O-OG1 3.13Å
350	E	67.6	Low	80.4	Confident	60 Å²	60	40.1 Å²	40.1	28%	0.28	20%	0.197	S	C	.	.			trans	-88.1	95.7	-178	-65.5	-163.5	-178.6	0	0	111.2	L320 E348 T440 K463	L320-E350 WeakPolarHBondContact O-CB 3.35Å; L320-E350 PolarHBondContact O-N 3.17Å; E348-E350 PolarHBondContact O-N 3.1Å; E350-T440 HydrophobicContact CG-CG2 3.98Å; E350-K463 WeakPolarHBondContact OE2-CE 3.45Å; E350-K463 IonicContact OE2-NZ 3.78Å; E350-K463 PolarHBondContact OE2-NZ 3.21Å
351	T	67.1	Low	80.4	Confident	18 Å²	18	40.3 Å²	40.3	11%	0.11	20%	0.199	C	C	.	.			trans	-132.3	126.3	177.3	54.4	0	0	0	0	110.8	F323 L349 V357 R438	F323-T351 HydrophobicContact CD1-CG2 3.45Å; F323-T351 VanDerWaalsContact CD1-CG2 3.45Å; F323-T351 HydrophobicContact CE1-CG2 3.94Å; F323-T351 HydrophobicContact CG-CG2 4.32Å; L349-T351 HydrophobicContact CD2-CG2 3.85Å; L349-T351 HydrophobicContact CG-CG2 4.04Å; L349-T351 PolarHBondContact O-N 3.46Å; T351-V357 HydrophobicContact CG2-CG2 3.74Å; T351-R438 VanDerWaalsContact OG1-CD 3.25Å; T351-R438 WeakPolarHBondContact OG1-CD 3.46Å
352	E	57.9	Low	80.3	Confident	131 Å²	131	39.9 Å²	39.9	61%	0.612	20%	0.196	S	C	*	.	S	Bend	trans	-77.4	-33.3	176	-68.3	-154	132.3	0	0	112.8	K732 L734	E352-K732 IonicContact OE1-NZ 3.6Å; E352-L734 HydrophobicContact CB-CD1 3.75Å; E352-L734 HydrophobicContact CG-CD1 3.97Å; E352-L734 VanDerWaalsContact O-CD1 3.31Å; E352-L734 WeakPolarHBondContact O-CD1 3.46Å
353	D	64.9	Low	80.4	Confident	41 Å²	41	39.4 Å²	39.4	22%	0.219	20%	0.196	C	C	.	.			trans	-123.4	131	172.1	-166.8	-11.1	0	0	0	110	R355 L356	D353-R355 PolarHBondContact O-N 2.81Å; D353-R355 WeakPolarHBondContact OD1-CB 3.25Å; D353-R355 WeakPolarHBondContact OD1-CG 3.25Å; D353-R355 PolarHBondContact OD1-N 2.86Å; D353-R355 WeakPolarHBondContact OD2-CB 2.97Å; D353-R355 VanDerWaalsContact OD2-CD 3.29Å; D353-R355 WeakPolarHBondContact OD2-CD 3.49Å; D353-R355 WeakPolarHBondContact OD2-CG 3.22Å; D353-R355 IonicContact OD2-CZ 2.92Å; D353-R355 IonicContact OD2-NE 3.78Å; D353-R355 IonicContact OD2-NH1 2.75Å; D353-R355 PolarHBondContact OD2-NH1 3.3Å; D353-L356 PolarHBondContact O-N 2.85Å
354	E	80.4	Confident	80.5	Confident	15 Å²	15	39.6 Å²	39.6	7%	0.07	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.5	174.1	-166.1	84.6	-154.1	0	0	110.9	L356 V357 Y358 V383 R384 L388 R438	E354-L356 VanDerWaalsContact C-N 3.27Å; E354-L356 PolarHBondContact O-N 3.44Å; E354-V357 HydrophobicContact CG-CB 4.45Å; E354-V357 HydrophobicContact CG-CG2 4.49Å; E354-V357 WeakPolarHBondContact O-CB 3.4Å; E354-V357 PolarHBondContact O-N 3.25Å; E354-V357 VanDerWaalsContact O-N 3.11Å; E354-Y358 PolarHBondContact O-N 3.04Å; E354-V383 HydrophobicContact CG-CG1 4.14Å; E354-R384 HydrophobicContact CG-CB 3.88Å; E354-R384 PolarHBondContact OE1-N 2.84Å; E354-R384 IonicContact OE1-NH1 2.64Å; E354-R384 IonicContact OE2-NH1 3.97Å; E354-R384 PolarHBondContact OE2-NH1 3Å; E354-L388 VanDerWaalsContact C-CD2 3.5Å; E354-L388 HydrophobicContact CB-CD2 4.15Å; E354-L388 HydrophobicContact CG-CD2 4.5Å; E354-R438 IonicContact OE1-CZ 2.64Å; E354-R438 IonicContact OE1-NE 3.15Å; E354-R438 IonicContact OE1-NH2 2.66Å; E354-R438 PolarHBondContact OE1-NH2 3.49Å; E354-R438 IonicContact OE2-CZ 3.85Å; E354-R438 IonicContact OE2-NE 2.68Å; E354-R438 PolarHBondContact OE2-NE 2.93Å; E354-R438 VanDerWaalsContact OE2-NE 3.13Å; E354-R438 IonicContact OE2-NH2 3.19Å
355	R	78.8	Confident	80.5	Confident	57 Å²	57	39.6 Å²	39.6	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-55.4	-41.6	166.8	-71.6	-171.2	-173.8	121.1	-20.5	112	D353 V357 Y358 E359 L388 F392	D353-R355 PolarHBondContact O-N 2.81Å; D353-R355 WeakPolarHBondContact OD1-CB 3.25Å; D353-R355 WeakPolarHBondContact OD1-CG 3.25Å; D353-R355 PolarHBondContact OD1-N 2.86Å; D353-R355 WeakPolarHBondContact OD2-CB 2.97Å; D353-R355 VanDerWaalsContact OD2-CD 3.29Å; D353-R355 WeakPolarHBondContact OD2-CD 3.49Å; D353-R355 WeakPolarHBondContact OD2-CG 3.22Å; D353-R355 IonicContact OD2-CZ 2.92Å; D353-R355 IonicContact OD2-NE 3.78Å; D353-R355 IonicContact OD2-NH1 2.75Å; D353-R355 PolarHBondContact OD2-NH1 3.3Å; R355-V357 PolarHBondContact O-N 2.89Å; R355-Y358 WeakPolarHBondContact O-CB 3.34Å; R355-Y358 PolarHBondContact O-N 3.42Å; R355-Y358 VanDerWaalsContact O-N 3.11Å; R355-E359 WeakPolarHBondContact O-CB 3.39Å; R355-E359 WeakPolarHBondContact O-CG 3.44Å; R355-E359 PolarHBondContact O-N 2.82Å; R355-L388 HydrophobicContact CB-CD2 4.32Å; R355-L388 HydrophobicContact CG-CD2 3.88Å; R355-L388 VanDerWaalsContact N-CD2 3.32Å; R355-F392 HydrophobicContact CG-CD1 4.01Å; R355-F392 HydrophobicContact CG-CE1 3.96Å; R355-F392 HydrophobicContact CG-CG 4.45Å; R355-F392 HydrophobicContact CG-CZ 4.35Å
356	L	82.3	Confident	80.6	Confident	47 Å²	47	40.1 Å²	40.1	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-31.8	178.4	-66.3	173.6	0	0	0	111.9	P324 D353 E354 A360	P324-L356 HydrophobicContact CB-CD1 4.38Å; D353-L356 PolarHBondContact O-N 2.85Å; E354-L356 VanDerWaalsContact C-N 3.27Å; E354-L356 PolarHBondContact O-N 3.44Å; L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 2.72Å
357	V	87.1	Confident	80.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.4	-41.7	175.5	-170.6	0	0	0	0	110.3	F323 L344 L349 T351 E354 R355 A361 V383	F323-V357 HydrophobicContact CE1-CG2 4.27Å; L344-V357 HydrophobicContact CB-CG1 4.38Å; L344-V357 HydrophobicContact CD2-CG1 3.84Å; L349-V357 HydrophobicContact CD2-CG2 4.2Å; T351-V357 HydrophobicContact CG2-CG2 3.74Å; E354-V357 HydrophobicContact CG-CB 4.45Å; E354-V357 HydrophobicContact CG-CG2 4.49Å; E354-V357 WeakPolarHBondContact O-CB 3.4Å; E354-V357 PolarHBondContact O-N 3.25Å; E354-V357 VanDerWaalsContact O-N 3.11Å; R355-V357 PolarHBondContact O-N 2.89Å; V357-A361 WeakPolarHBondContact O-CB 2.98Å; V357-A361 PolarHBondContact O-N 3.39Å; V357-V383 HydrophobicContact CG1-CG2 4.07Å
358	Y	87.6	Confident	81.5	Confident	6 Å²	6	42.5 Å²	42.5	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-49.1	175.1	176.1	-99.5	0	0	0	112.4	E354 R355 A360 A361 L362 L380 L385 F392 V397 I403	E354-Y358 PolarHBondContact O-N 3.04Å; R355-Y358 WeakPolarHBondContact O-CB 3.34Å; R355-Y358 PolarHBondContact O-N 3.42Å; R355-Y358 VanDerWaalsContact O-N 3.11Å; Y358-A360 PolarHBondContact O-N 3.13Å; Y358-A361 PolarHBondContact O-N 3.02Å; Y358-L362 HydrophobicContact CD1-CD1 4.22Å; Y358-L362 HydrophobicContact CE1-CD1 3.44Å; Y358-L362 VanDerWaalsContact CE1-CD1 3.44Å; Y358-L362 HydrophobicContact CE1-CG 4.2Å; Y358-L362 HydrophobicContact CE2-CD1 4.32Å; Y358-L362 HydrophobicContact CE2-CG 4.42Å; Y358-L362 PolarHBondContact O-N 2.85Å; Y358-L380 HydrophobicContact CD2-CD2 4.2Å; Y358-L380 HydrophobicContact CE2-CD2 3.91Å; Y358-L385 HydrophobicContact CD2-CD2 4.04Å; Y358-L385 HydrophobicContact CE2-CD2 4.41Å; Y358-F392 AromaticContact CD1-CE1 3.83Å; Y358-F392 HydrophobicContact CD1-CE1 3.83Å; Y358-F392 HydrophobicContact CD1-CZ 4Å; Y358-F392 HydrophobicContact CE1-CE1 4.07Å; Y358-F392 HydrophobicContact CE1-CZ 4.12Å; Y358-V397 HydrophobicContact CE1-CG2 3.93Å; Y358-V397 HydrophobicContact CE2-CB 4.49Å; Y358-V397 HydrophobicContact CE2-CG1 3.8Å; Y358-V397 HydrophobicContact CE2-CG2 4.03Å; Y358-I403 HydrophobicContact CE2-CD1 4.13Å; Y358-I403 WeakPolarHBondContact OH-CD1 3.33Å
359	E	87.4	Confident	82	Confident	79 Å²	79	41.6 Å²	41.6	37%	0.369	20%	0.2	S	C	.	.	H	α-helix	trans	-61.7	-42.7	177.1	-72.4	171	-168.7	0	0	111.3	R355 A361 L362 N363	R355-E359 WeakPolarHBondContact O-CB 3.39Å; R355-E359 WeakPolarHBondContact O-CG 3.44Å; R355-E359 PolarHBondContact O-N 2.82Å; E359-A361 PolarHBondContact O-N 3.49Å; E359-L362 PolarHBondContact O-N 3.35Å; E359-N363 VanDerWaalsContact O-CB 3.29Å; E359-N363 WeakPolarHBondContact O-CB 3.38Å; E359-N363 PolarHBondContact O-N 3.32Å; E359-N363 PolarHBondContact O-ND2 2.76Å
360	A	89	Confident	82.2	Confident	2 Å²	2	50.5 Å²	50.5	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-43.3	174.2	0	0	0	0	0	112.3	F323 C327 F332 L356 Y358 N363 W364	F323-A360 HydrophobicContact CE1-CB 4.45Å; F323-A360 HydrophobicContact CZ-CB 3.84Å; C327-A360 HydrophobicContact CB-CB 3.8Å; F332-A360 HydrophobicContact CE1-CB 3.95Å; F332-A360 HydrophobicContact CZ-CB 4.13Å; L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 2.72Å; Y358-A360 PolarHBondContact O-N 3.13Å; A360-N363 PolarHBondContact O-N 2.54Å; A360-W364 WeakPolarHBondContact O-CB 3.42Å; A360-W364 PolarHBondContact O-N 3.27Å
361	A	89.8	Confident	83	Confident	4 Å²	4	54.3 Å²	54.3	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-43.8	176.9	0	0	0	0	0	112.1	L344 V357 Y358 E359 I365 L379 V383	L344-A361 HydrophobicContact CD1-CB 3.97Å; V357-A361 WeakPolarHBondContact O-CB 2.98Å; V357-A361 PolarHBondContact O-N 3.39Å; Y358-A361 PolarHBondContact O-N 3.02Å; E359-A361 PolarHBondContact O-N 3.49Å; A361-I365 WeakPolarHBondContact O-CG1 3.32Å; A361-I365 PolarHBondContact O-N 3.33Å; A361-L379 HydrophobicContact CB-CB 4.5Å; A361-V383 HydrophobicContact CB-CG2 4.36Å
362	L	88.5	Confident	84	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-44.8	175.3	-75.9	-172.8	0	0	0	112.4	Y358 E359 W364 I365 N366 L376	Y358-L362 HydrophobicContact CD1-CD1 4.22Å; Y358-L362 HydrophobicContact CE1-CD1 3.44Å; Y358-L362 VanDerWaalsContact CE1-CD1 3.44Å; Y358-L362 HydrophobicContact CE1-CG 4.2Å; Y358-L362 HydrophobicContact CE2-CD1 4.32Å; Y358-L362 HydrophobicContact CE2-CG 4.42Å; Y358-L362 PolarHBondContact O-N 2.85Å; E359-L362 PolarHBondContact O-N 3.35Å; L362-W364 VanDerWaalsContact C-N 3.29Å; L362-W364 PolarHBondContact O-N 3.32Å; L362-I365 PolarHBondContact O-N 3.38Å; L362-N366 WeakPolarHBondContact O-CB 3.31Å; L362-N366 VanDerWaalsContact O-CG 3.25Å; L362-N366 PolarHBondContact O-N 3.32Å; L362-N366 PolarHBondContact O-ND2 3.04Å; L362-L376 HydrophobicContact CD2-CD1 4.21Å
363	N	89.6	Confident	85.1	Confident	83 Å²	83	51.5 Å²	51.5	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-40.1	178.8	-71.3	-21	0	0	0	111.5	L333 E359 A360 I365 N366 Y367	L333-N363 HydrophobicContact CD2-CB 4.22Å; E359-N363 VanDerWaalsContact O-CB 3.29Å; E359-N363 WeakPolarHBondContact O-CB 3.38Å; E359-N363 PolarHBondContact O-N 3.32Å; E359-N363 PolarHBondContact O-ND2 2.76Å; A360-N363 PolarHBondContact O-N 2.54Å; N363-I365 PolarHBondContact O-N 3.49Å; N363-N366 PolarHBondContact O-N 3.44Å; N363-Y367 PolarHBondContact O-N 2.66Å; N363-Y367 VanDerWaalsContact O-N 3.17Å
364	W	91.9	Very high	86	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-37.2	173.8	-175.3	90.8	0	0	0	112.5	F332 L335 K337 V340 A360 L362 R372 Y375 L379	F332-W364 HydrophobicContact CE1-CB 4.24Å; L335-W364 PolarHBondContact O-NE1 2.89Å; K337-W364 HydrophobicContact CB-CH2 3.87Å; K337-W364 HydrophobicContact CB-CZ2 4.24Å; K337-W364 HydrophobicContact CG-CH2 4.16Å; V340-W364 HydrophobicContact CG2-CD2 4.48Å; V340-W364 HydrophobicContact CG2-CG 4.45Å; A360-W364 WeakPolarHBondContact O-CB 3.42Å; A360-W364 PolarHBondContact O-N 3.27Å; L362-W364 VanDerWaalsContact C-N 3.29Å; L362-W364 PolarHBondContact O-N 3.32Å; W364-R372 HydrophobicContact CE3-CB 4.43Å; W364-R372 HydrophobicContact CE3-CG 4.43Å; W364-R372 HydrophobicContact CH2-CB 4.38Å; W364-R372 HydrophobicContact CH2-CG 3.89Å; W364-R372 HydrophobicContact CZ2-CG 4.45Å; W364-R372 HydrophobicContact CZ3-CB 3.9Å; W364-R372 HydrophobicContact CZ3-CG 3.87Å; W364-R372 WeakPolarHBondContact O-CD 3.28Å; W364-R372 PolarHBondContact O-NH1 3.12Å; W364-Y375 HydrophobicContact CH2-CD2 4.3Å; W364-Y375 HydrophobicContact CZ3-CD2 4.43Å; W364-L379 HydrophobicContact CE3-CD1 3.67Å; W364-L379 HydrophobicContact CZ3-CD1 3.69Å
365	I	88.3	Confident	86.3	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-44.5	175.1	-65.6	166.8	0	0	0	111	A361 L362 N363 Y367 D368 L369 R372 L376 L379	A361-I365 WeakPolarHBondContact O-CG1 3.32Å; A361-I365 PolarHBondContact O-N 3.33Å; L362-I365 PolarHBondContact O-N 3.38Å; N363-I365 PolarHBondContact O-N 3.49Å; I365-Y367 PolarHBondContact O-N 3.4Å; I365-D368 CarbonylContact O-C 3.54Å; I365-D368 VanDerWaalsContact O-C 3.3Å; I365-D368 PolarHBondContact O-N 3.13Å; I365-L369 HydrophobicContact CG2-CD2 4.21Å; I365-L369 PolarHBondContact O-N 2.58Å; I365-R372 HydrophobicContact CG2-CB 4.43Å; I365-L376 HydrophobicContact CD1-CB 3.93Å; I365-L376 HydrophobicContact CD1-CD1 3.4Å; I365-L376 VanDerWaalsContact CD1-CD1 3.4Å; I365-L376 HydrophobicContact CD1-CG 4.25Å; I365-L379 HydrophobicContact CD1-CD1 3.78Å; I365-L379 HydrophobicContact CG1-CD1 3.81Å
366	N	87.4	Confident	86.6	Confident	70 Å²	70	54.2 Å²	54.2	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-25.6	-178.2	-74.5	-22.9	0	0	0	113.2	L362 N363 L402	L362-N366 WeakPolarHBondContact O-CB 3.31Å; L362-N366 VanDerWaalsContact O-CG 3.25Å; L362-N366 PolarHBondContact O-N 3.32Å; L362-N366 PolarHBondContact O-ND2 3.04Å; N363-N366 PolarHBondContact O-N 3.44Å; N366-L402 WeakPolarHBondContact OD1-CD1 3.36Å
367	Y	88.4	Confident	86.8	Confident	125 Å²	125	53 Å²	53	49%	0.49	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.1	176.8	-174.2	-95.4	0	0	0	114.2	L333 N363 I365	L333-Y367 HydrophobicContact CB-CD1 4.34Å; L333-Y367 HydrophobicContact CB-CD2 3.9Å; L333-Y367 HydrophobicContact CB-CE2 4.27Å; L333-Y367 HydrophobicContact CB-CG 3.93Å; L333-Y367 HydrophobicContact CD1-CD2 3.79Å; L333-Y367 HydrophobicContact CD1-CE2 4.32Å; L333-Y367 HydrophobicContact CD1-CG 4.45Å; L333-Y367 HydrophobicContact CG-CD2 4.42Å; N363-Y367 PolarHBondContact O-N 2.66Å; N363-Y367 VanDerWaalsContact O-N 3.17Å; I365-Y367 PolarHBondContact O-N 3.4Å
368	D	86.4	Confident	86.7	Confident	37 Å²	37	56.7 Å²	56.7	20%	0.198	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	70.4	174.9	-176.2	-7	0	0	0	109.3	I365 E370 K371 R372	I365-D368 CarbonylContact O-C 3.54Å; I365-D368 VanDerWaalsContact O-C 3.3Å; I365-D368 PolarHBondContact O-N 3.13Å; D368-E370 VanDerWaalsContact C-N 3.28Å; D368-E370 PolarHBondContact O-N 3.41Å; D368-K371 PolarHBondContact O-N 3.02Å; D368-K371 WeakPolarHBondContact OD1-CG 3.37Å; D368-K371 PolarHBondContact OD1-N 3.44Å; D368-K371 IonicContact OD1-NZ 3.61Å; D368-K371 IonicContact OD2-NZ 4Å; D368-K371 PolarHBondContact OD2-NZ 3.2Å; D368-R372 HydrophobicContact CB-CG 4.05Å; D368-R372 WeakPolarHBondContact O-CB 3.43Å; D368-R372 WeakPolarHBondContact O-CG 3.2Å; D368-R372 PolarHBondContact O-N 3.3Å
369	L	84.6	Confident	86.7	Confident	77 Å²	77	56.4 Å²	56.4	40%	0.403	27%	0.272	S	S	.	.	H	α-helix	trans	-54	-42.9	-176.5	-78.9	163.9	0	0	0	112.5	I365 K371 H373 L402	I365-L369 HydrophobicContact CG2-CD2 4.21Å; I365-L369 PolarHBondContact O-N 2.58Å; L369-K371 VanDerWaalsContact C-N 3.33Å; L369-K371 PolarHBondContact O-N 3.13Å; L369-H373 WeakPolarHBondContact O-CB 3.41Å; L369-H373 PolarHBondContact O-N 3.44Å; L369-H373 VanDerWaalsContact O-N 3.14Å; L369-L402 HydrophobicContact CD2-CD1 4.14Å; L369-L402 HydrophobicContact CD2-CD2 4.05Å
370	E	81.9	Confident	86.6	Confident	188 Å²	188	52.9 Å²	52.9	88%	0.879	26%	0.256	S	S	*	.	H	α-helix	trans	-60.3	-40.8	-176	-63.5	-171.5	168.6	0	0	112.5	D368	D368-E370 VanDerWaalsContact C-N 3.28Å; D368-E370 PolarHBondContact O-N 3.41Å
371	K	84.1	Confident	86.4	Confident	139 Å²	139	61.8 Å²	61.8	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-95.6	-28.7	-179.1	-55.1	-167.1	-151.5	88.9	0	114	D368 L369 C374	D368-K371 PolarHBondContact O-N 3.02Å; D368-K371 WeakPolarHBondContact OD1-CG 3.37Å; D368-K371 PolarHBondContact OD1-N 3.44Å; D368-K371 IonicContact OD1-NZ 3.61Å; D368-K371 IonicContact OD2-NZ 4Å; D368-K371 PolarHBondContact OD2-NZ 3.2Å; L369-K371 VanDerWaalsContact C-N 3.33Å; L369-K371 PolarHBondContact O-N 3.13Å; K371-C374 PolarHBondContact O-SG 3.44Å; K371-C374 VanDerWaalsContact O-SG 3.39Å
372	R	87.1	Confident	86.1	Confident	29 Å²	29	62.5 Å²	62.5	11%	0.109	29%	0.293	C	S	.	.	H	α-helix	trans	-96.6	-17.9	-169.7	-60.8	177.5	-178.3	-174.4	-1.8	114.2	L333 W364 I365 D368 C374 Y375	L333-R372 VanDerWaalsContact O-CZ 3.28Å; L333-R372 PolarHBondContact O-NH1 2.84Å; L333-R372 PolarHBondContact O-NH2 3.45Å; W364-R372 HydrophobicContact CE3-CB 4.43Å; W364-R372 HydrophobicContact CE3-CG 4.43Å; W364-R372 HydrophobicContact CH2-CB 4.38Å; W364-R372 HydrophobicContact CH2-CG 3.89Å; W364-R372 HydrophobicContact CZ2-CG 4.45Å; W364-R372 HydrophobicContact CZ3-CB 3.9Å; W364-R372 HydrophobicContact CZ3-CG 3.87Å; W364-R372 WeakPolarHBondContact O-CD 3.28Å; W364-R372 PolarHBondContact O-NH1 3.12Å; I365-R372 HydrophobicContact CG2-CB 4.43Å; D368-R372 HydrophobicContact CB-CG 4.05Å; D368-R372 WeakPolarHBondContact O-CB 3.43Å; D368-R372 WeakPolarHBondContact O-CG 3.2Å; D368-R372 PolarHBondContact O-N 3.3Å; R372-C374 PolarHBondContact O-N 2.78Å; R372-C374 VanDerWaalsContact O-N 3.13Å; R372-Y375 PolarHBondContact O-N 2.63Å
373	H	81.8	Confident	85.9	Confident	62 Å²	62	62 Å²	62	29%	0.287	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-51.7	-38	179.3	176.6	-126.1	0	0	0	112.9	L369 Y375 L376 Q406	L369-H373 WeakPolarHBondContact O-CB 3.41Å; L369-H373 PolarHBondContact O-N 3.44Å; L369-H373 VanDerWaalsContact O-N 3.14Å; H373-Y375 PolarHBondContact O-N 3.12Å; H373-L376 VanDerWaalsContact O-CB 3.31Å; H373-L376 WeakPolarHBondContact O-CB 3.19Å; H373-L376 PolarHBondContact O-N 3.2Å; H373-Q406 PolarHBondContact CD2-NE2 3.29Å; H373-Q406 PolarHBondContact CE1-NE2 3.03Å; H373-Q406 PolarHBondContact ND1-NE2 3.19Å; H373-Q406 PolarHBondContact NE2-NE2 2.64Å; H373-Q406 PolarHBondContact O-NE2 2.97Å
374	C	84.4	Confident	85.5	Confident	81 Å²	81	59 Å²	59	55%	0.547	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-64.7	-18.2	179.3	63.6	0	0	0	0	115.1	K371 R372	K371-C374 PolarHBondContact O-SG 3.44Å; K371-C374 VanDerWaalsContact O-SG 3.39Å; R372-C374 PolarHBondContact O-N 2.78Å; R372-C374 VanDerWaalsContact O-N 3.13Å
375	Y	85.4	Confident	84.9	Confident	86 Å²	86	58.9 Å²	58.9	34%	0.337	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-92.3	-5.7	179.2	-52.7	-54.9	0	0	0	113.7	K337 W364 R372 H373 P377 E378 L379	K337-Y375 HydrophobicContact CD-CD1 3.79Å; K337-Y375 HydrophobicContact CD-CD2 4.44Å; K337-Y375 HydrophobicContact CD-CE1 3.88Å; K337-Y375 HydrophobicContact CD-CG 4.1Å; K337-Y375 HydrophobicContact CG-CD1 4.17Å; K337-Y375 HydrophobicContact CG-CD2 4.04Å; K337-Y375 HydrophobicContact CG-CE1 4.49Å; K337-Y375 HydrophobicContact CG-CE2 4.39Å; K337-Y375 HydrophobicContact CG-CG 3.94Å; W364-Y375 HydrophobicContact CH2-CD2 4.3Å; W364-Y375 HydrophobicContact CZ3-CD2 4.43Å; R372-Y375 PolarHBondContact O-N 2.63Å; H373-Y375 PolarHBondContact O-N 3.12Å; Y375-P377 VanDerWaalsContact C-CD 3.42Å; Y375-E378 WeakPolarHBondContact O-CB 3.45Å; Y375-E378 PolarHBondContact O-N 3.25Å; Y375-L379 PolarHBondContact O-N 3.1Å; Y375-L379 VanDerWaalsContact O-N 3.09Å
376	L	85.9	Confident	84	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-49.1	-45.6	179.3	178.6	64.6	0	0	0	114	L362 I365 H373 E378 L379 L380 L402 I403	L362-L376 HydrophobicContact CD2-CD1 4.21Å; I365-L376 HydrophobicContact CD1-CB 3.93Å; I365-L376 HydrophobicContact CD1-CD1 3.4Å; I365-L376 VanDerWaalsContact CD1-CD1 3.4Å; I365-L376 HydrophobicContact CD1-CG 4.25Å; H373-L376 VanDerWaalsContact O-CB 3.31Å; H373-L376 WeakPolarHBondContact O-CB 3.19Å; H373-L376 PolarHBondContact O-N 3.2Å; L376-E378 VanDerWaalsContact C-N 3.28Å; L376-E378 PolarHBondContact O-N 3.15Å; L376-L379 PolarHBondContact O-N 2.9Å; L376-L380 HydrophobicContact CD1-CD1 3.82Å; L376-L380 HydrophobicContact CD1-CD2 4.4Å; L376-L380 HydrophobicContact CD1-CG 3.85Å; L376-L380 HydrophobicContact CG-CD1 3.84Å; L376-L380 HydrophobicContact CG-CG 4.29Å; L376-L380 WeakPolarHBondContact O-CB 3.28Å; L376-L380 VanDerWaalsContact O-CG 3.29Å; L376-L380 WeakPolarHBondContact O-CG 3.39Å; L376-L380 PolarHBondContact O-N 3.42Å; L376-L402 HydrophobicContact CD2-CB 4.34Å; L376-L402 WeakPolarHBondContact CD2-O 3.02Å; L376-I403 HydrophobicContact CD2-CG1 4.29Å
377	P	85.3	Confident	83.1	Confident	22 Å²	22	58.1 Å²	58.1	14%	0.143	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-29.4	-179	-16.2	30	0	0	0	112.9	Y375 R381 Q406 K408 L412	Y375-P377 VanDerWaalsContact C-CD 3.42Å; P377-R381 WeakPolarHBondContact O-CB 3.47Å; P377-R381 PolarHBondContact O-N 2.86Å; P377-Q406 VanDerWaalsContact CD-OE1 3.22Å; P377-K408 HydrophobicContact CB-CB 4.13Å; P377-K408 HydrophobicContact CG-CB 4.22Å; P377-L412 HydrophobicContact CB-CD1 4.47Å; P377-L412 WeakPolarHBondContact O-CD1 3.25Å
378	E	86.2	Confident	82.3	Confident	77 Å²	77	52.1 Å²	52.1	36%	0.36	25%	0.245	S	C	.	.	H	α-helix	trans	-74.7	-43.2	-179.9	-166.1	175.4	165	0	0	110.3	K337 V341 Y375 L376 R381	K337-E378 VanDerWaalsContact CE-CD 3.48Å; K337-E378 WeakPolarHBondContact CE-OE1 3.46Å; K337-E378 WeakPolarHBondContact CE-OE2 3.43Å; K337-E378 IonicContact NZ-OE1 2.68Å; K337-E378 PolarHBondContact NZ-OE1 3.39Å; K337-E378 IonicContact NZ-OE2 2.63Å; K337-E378 PolarHBondContact NZ-OE2 3.14Å; V341-E378 HydrophobicContact CG2-CG 4.43Å; Y375-E378 WeakPolarHBondContact O-CB 3.45Å; Y375-E378 PolarHBondContact O-N 3.25Å; L376-E378 VanDerWaalsContact C-N 3.28Å; L376-E378 PolarHBondContact O-N 3.15Å; E378-R381 WeakPolarHBondContact O-CB 3.03Å; E378-R381 PolarHBondContact O-N 3.21Å
379	L	86.8	Confident	81.4	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-46.6	174.8	-71.6	166	0	0	0	112.1	V340 V341 L344 A361 W364 I365 Y375 L376 R381 T382 V383	V340-L379 HydrophobicContact CG1-CD2 3.85Å; V341-L379 HydrophobicContact CG2-CD2 3.78Å; V341-L379 HydrophobicContact CG2-CG 4.38Å; L344-L379 HydrophobicContact CD1-CD2 4Å; A361-L379 HydrophobicContact CB-CB 4.5Å; W364-L379 HydrophobicContact CE3-CD1 3.67Å; W364-L379 HydrophobicContact CZ3-CD1 3.69Å; I365-L379 HydrophobicContact CD1-CD1 3.78Å; I365-L379 HydrophobicContact CG1-CD1 3.81Å; Y375-L379 PolarHBondContact O-N 3.1Å; Y375-L379 VanDerWaalsContact O-N 3.09Å; L376-L379 PolarHBondContact O-N 2.9Å; L379-R381 PolarHBondContact O-N 2.91Å; L379-R381 VanDerWaalsContact O-N 3.13Å; L379-T382 WeakPolarHBondContact O-CB 3.45Å; L379-T382 PolarHBondContact O-N 2.63Å; L379-T382 PolarHBondContact O-OG1 2.94Å; L379-V383 PolarHBondContact O-N 3.46Å
380	L	85.4	Confident	80.6	Confident	5 Å²	5	50 Å²	50	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-27.2	175.5	-73.9	174.3	0	0	0	112.9	Y358 L376 T382 V383 L385 I403 L412	Y358-L380 HydrophobicContact CD2-CD2 4.2Å; Y358-L380 HydrophobicContact CE2-CD2 3.91Å; L376-L380 HydrophobicContact CD1-CD1 3.82Å; L376-L380 HydrophobicContact CD1-CD2 4.4Å; L376-L380 HydrophobicContact CD1-CG 3.85Å; L376-L380 HydrophobicContact CG-CD1 3.84Å; L376-L380 HydrophobicContact CG-CG 4.29Å; L376-L380 WeakPolarHBondContact O-CB 3.28Å; L376-L380 VanDerWaalsContact O-CG 3.29Å; L376-L380 WeakPolarHBondContact O-CG 3.39Å; L376-L380 PolarHBondContact O-N 3.42Å; L380-T382 VanDerWaalsContact C-N 3.33Å; L380-V383 PolarHBondContact O-N 2.75Å; L380-L385 HydrophobicContact CD2-CD2 4.35Å; L380-I403 HydrophobicContact CD1-CD1 4.32Å; L380-I403 HydrophobicContact CD1-CG1 4.27Å; L380-I403 HydrophobicContact CD2-CD1 4.31Å; L380-L412 HydrophobicContact CB-CD1 4.39Å
381	R	85.1	Confident	80.1	Confident	188 Å²	188	46.6 Å²	46.6	71%	0.709	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.7	175.8	-154.8	178.5	75.1	107.9	1.5	113.7	P377 E378 L379 L412	P377-R381 WeakPolarHBondContact O-CB 3.47Å; P377-R381 PolarHBondContact O-N 2.86Å; E378-R381 WeakPolarHBondContact O-CB 3.03Å; E378-R381 PolarHBondContact O-N 3.21Å; L379-R381 PolarHBondContact O-N 2.91Å; L379-R381 VanDerWaalsContact O-N 3.13Å; R381-L412 HydrophobicContact CB-CD1 4.39Å; R381-L412 HydrophobicContact CG-CD2 4.41Å
382	T	84.2	Confident	79.6	Confident	20 Å²	20	41.3 Å²	41.3	12%	0.123	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-26.9	172.6	70	0	0	0	0	112.7	V341 L344 L379 L380	V341-T382 HydrophobicContact CG1-CG2 4.07Å; L344-T382 WeakPolarHBondContact CB-OG1 3.35Å; L379-T382 WeakPolarHBondContact O-CB 3.45Å; L379-T382 PolarHBondContact O-N 2.63Å; L379-T382 PolarHBondContact O-OG1 2.94Å; L380-T382 VanDerWaalsContact C-N 3.33Å
383	V	84.7	Confident	79.2	Confident	3 Å²	3	40 Å²	40	2%	0.018	20%	0.198	C	C	.	.	S	Bend	trans	-78.5	136	178.1	-177.6	0	0	0	0	110.6	E354 V357 A361 L379 L380 L385	E354-V383 HydrophobicContact CG-CG1 4.14Å; V357-V383 HydrophobicContact CG1-CG2 4.07Å; A361-V383 HydrophobicContact CB-CG2 4.36Å; L379-V383 PolarHBondContact O-N 3.46Å; L380-V383 PolarHBondContact O-N 2.75Å; V383-L385 VanDerWaalsContact C-N 3.28Å; V383-L385 HydrophobicContact CB-CD2 4.29Å; V383-L385 HydrophobicContact CB-CG 4.5Å; V383-L385 HydrophobicContact CG1-CD2 3.86Å; V383-L385 HydrophobicContact CG1-CG 4.37Å; V383-L385 PolarHBondContact O-N 2.68Å
384	R	80.2	Confident	78.8	Confident	21 Å²	21	40.5 Å²	40.5	8%	0.079	20%	0.202	C	C	.	.			trans	-84.5	69.6	176.9	-57.8	-166.6	-170	78.7	5.9	113	E354 A386 L387 C434 R436 R438	E354-R384 HydrophobicContact CG-CB 3.88Å; E354-R384 PolarHBondContact OE1-N 2.84Å; E354-R384 IonicContact OE1-NH1 2.64Å; E354-R384 IonicContact OE2-NH1 3.97Å; E354-R384 PolarHBondContact OE2-NH1 3Å; R384-A386 PolarHBondContact O-N 3.49Å; R384-L387 HydrophobicContact CB-CB 4.29Å; R384-L387 HydrophobicContact CB-CD1 3.78Å; R384-L387 HydrophobicContact CB-CG 4.02Å; R384-L387 HydrophobicContact CG-CD1 4.37Å; R384-L387 WeakPolarHBondContact O-CB 3.46Å; R384-L387 PolarHBondContact O-N 3.2Å; R384-C434 CarbonylContact C-O 3.58Å; R384-R436 WeakPolarHBondContact CD-O 3.36Å; R384-R436 PolarHBondContact NE-O 3.08Å; R384-R438 VanDerWaalsContact CZ-N 3.28Å; R384-R438 VanDerWaalsContact NH1-CB 3.33Å; R384-R438 VanDerWaalsContact NH1-CD 3.32Å
385	L	79.9	Confident	78.5	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-33.4	-175.6	-63.1	174.9	0	0	0	114.3	Y358 L380 V383 L387 L388 L393 V397 V413 A416	Y358-L385 HydrophobicContact CD2-CD2 4.04Å; Y358-L385 HydrophobicContact CE2-CD2 4.41Å; L380-L385 HydrophobicContact CD2-CD2 4.35Å; V383-L385 VanDerWaalsContact C-N 3.28Å; V383-L385 HydrophobicContact CB-CD2 4.29Å; V383-L385 HydrophobicContact CB-CG 4.5Å; V383-L385 HydrophobicContact CG1-CD2 3.86Å; V383-L385 HydrophobicContact CG1-CG 4.37Å; V383-L385 PolarHBondContact O-N 2.68Å; L385-L387 VanDerWaalsContact C-N 3.27Å; L385-L387 PolarHBondContact O-N 2.97Å; L385-L388 HydrophobicContact CD2-CD1 3.8Å; L385-L388 WeakPolarHBondContact O-CB 3.49Å; L385-L388 PolarHBondContact O-N 3.44Å; L385-L393 HydrophobicContact CB-CD1 4.39Å; L385-V397 HydrophobicContact CD2-CG1 4.45Å; L385-V413 HydrophobicContact CD1-CG2 4.12Å; L385-A416 HydrophobicContact CB-CB 3.39Å; L385-A416 HydrophobicContact CD1-CB 4.21Å; L385-A416 HydrophobicContact CG-CB 4.47Å
386	A	69.7	Low	78.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.6	178.7	0	0	0	0	0	113.8	R384 C419 K420 I423 C434 A435	R384-A386 PolarHBondContact O-N 3.49Å; A386-C419 HydrophobicContact CB-CB 3.81Å; A386-K420 WeakPolarHBondContact O-CD 3.39Å; A386-K420 PolarHBondContact O-NZ 2.99Å; A386-I423 HydrophobicContact CB-CD1 4.32Å; A386-C434 WeakPolarHBondContact CB-O 3.44Å; A386-C434 PolarHBondContact N-O 2.85Å; A386-C434 VanDerWaalsContact N-O 3.13Å; A386-A435 HydrophobicContact CB-CB 4.12Å
387	L	68.4	Low	77.9	Confident	54 Å²	54	42.2 Å²	42.2	28%	0.283	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-24.4	171.2	-60.7	-178.7	0	0	0	112.5	R384 L385 K420 P437	R384-L387 HydrophobicContact CB-CB 4.29Å; R384-L387 HydrophobicContact CB-CD1 3.78Å; R384-L387 HydrophobicContact CB-CG 4.02Å; R384-L387 HydrophobicContact CG-CD1 4.37Å; R384-L387 WeakPolarHBondContact O-CB 3.46Å; R384-L387 PolarHBondContact O-N 3.2Å; L385-L387 VanDerWaalsContact C-N 3.27Å; L385-L387 PolarHBondContact O-N 2.97Å; L387-K420 PolarHBondContact O-NZ 2.83Å; L387-P437 HydrophobicContact CD1-CB 4.15Å; L387-P437 HydrophobicContact CD1-CG 4.03Å; L387-P437 HydrophobicContact CD2-CG 4.33Å
388	L	70.9	Confident	77.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-52.1	144.4	176.3	-63.9	176.3	0	0	0	112.1	E354 R355 L385 A390 F392 L393 V397 K420	E354-L388 VanDerWaalsContact C-CD2 3.5Å; E354-L388 HydrophobicContact CB-CD2 4.15Å; E354-L388 HydrophobicContact CG-CD2 4.5Å; R355-L388 HydrophobicContact CB-CD2 4.32Å; R355-L388 HydrophobicContact CG-CD2 3.88Å; R355-L388 VanDerWaalsContact N-CD2 3.32Å; L385-L388 HydrophobicContact CD2-CD1 3.8Å; L385-L388 WeakPolarHBondContact O-CB 3.49Å; L385-L388 PolarHBondContact O-N 3.44Å; L388-A390 PolarHBondContact O-N 3.11Å; L388-F392 HydrophobicContact CD1-CD1 4.37Å; L388-F392 HydrophobicContact CD1-CE1 4.46Å; L388-L393 HydrophobicContact CB-CB 4.46Å; L388-L393 HydrophobicContact CD1-CD1 4.33Å; L388-V397 HydrophobicContact CD1-CG2 4.08Å; L388-K420 VanDerWaalsContact O-CE 3.27Å; L388-K420 WeakPolarHBondContact O-CE 3.37Å; L388-K420 PolarHBondContact O-NZ 2.9Å
389	P	67.6	Low	77	Confident	38 Å²	38	43.5 Å²	43.5	25%	0.247	22%	0.222	C	C	.	.			trans	-55.2	137.8	176.3	-31.5	41.3	0	0	0	112.3	I391 F392 L393	P389-I391 VanDerWaalsContact C-N 3.33Å; P389-I391 PolarHBondContact O-N 2.95Å; P389-F392 PolarHBondContact O-N 3.23Å; P389-F392 VanDerWaalsContact O-N 3.09Å; P389-L393 PolarHBondContact O-N 2.98Å
390	A	68	Low	76.9	Confident	30 Å²	30	46.7 Å²	46.7	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-40.3	-166.2	0	0	0	0	0	113.4	L388 L393 M394 L424	L388-A390 PolarHBondContact O-N 3.11Å; A390-L393 PolarHBondContact O-N 2.95Å; A390-M394 WeakPolarHBondContact O-CB 3.14Å; A390-M394 VanDerWaalsContact O-CG 3.3Å; A390-M394 WeakPolarHBondContact O-CG 3.08Å; A390-M394 PolarHBondContact O-N 2.94Å; A390-L424 HydrophobicContact CB-CD1 4.3Å
391	I	70.9	Confident	76.7	Confident	117 Å²	117	54.1 Å²	54.1	60%	0.6	27%	0.271	S	S	*	.	H	α-helix	trans	-59	-51.7	175.8	-57.7	172.9	0	0	0	109.9	P389 L393 M394 E395	P389-I391 VanDerWaalsContact C-N 3.33Å; P389-I391 PolarHBondContact O-N 2.95Å; I391-L393 PolarHBondContact O-N 3.07Å; I391-M394 PolarHBondContact O-N 2.61Å; I391-M394 VanDerWaalsContact O-N 3.15Å; I391-E395 HydrophobicContact CG2-CG 4.26Å; I391-E395 WeakPolarHBondContact CG2-OE2 3.47Å; I391-E395 WeakPolarHBondContact O-CB 3.23Å; I391-E395 PolarHBondContact O-N 2.85Å
392	F	73.7	Confident	76.4	Confident	29 Å²	29	47 Å²	47	13%	0.127	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-40.6	-179	-174.7	-97.7	0	0	0	112.9	R355 Y358 L388 P389 M394 N396 V397	R355-F392 HydrophobicContact CG-CD1 4.01Å; R355-F392 HydrophobicContact CG-CE1 3.96Å; R355-F392 HydrophobicContact CG-CG 4.45Å; R355-F392 HydrophobicContact CG-CZ 4.35Å; Y358-F392 AromaticContact CD1-CE1 3.83Å; Y358-F392 HydrophobicContact CD1-CE1 3.83Å; Y358-F392 HydrophobicContact CD1-CZ 4Å; Y358-F392 HydrophobicContact CE1-CE1 4.07Å; Y358-F392 HydrophobicContact CE1-CZ 4.12Å; L388-F392 HydrophobicContact CD1-CD1 4.37Å; L388-F392 HydrophobicContact CD1-CE1 4.46Å; P389-F392 PolarHBondContact O-N 3.23Å; P389-F392 VanDerWaalsContact O-N 3.09Å; F392-M394 VanDerWaalsContact C-N 3.32Å; F392-M394 PolarHBondContact O-N 2.71Å; F392-N396 HydrophobicContact CD2-CB 4.01Å; F392-N396 HydrophobicContact CE2-CB 4.03Å; F392-N396 HydrophobicContact CG-CB 4.44Å; F392-N396 HydrophobicContact CZ-CB 4.48Å; F392-N396 WeakPolarHBondContact O-CB 3.45Å; F392-N396 PolarHBondContact O-N 2.83Å; F392-V397 HydrophobicContact CD1-CG2 3.91Å; F392-V397 HydrophobicContact CE1-CG2 3.8Å; F392-V397 PolarHBondContact O-N 2.97Å; F392-V397 VanDerWaalsContact O-N 3.11Å
393	L	77.6	Confident	76.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-64	-37.6	175.9	-177.7	66.4	0	0	0	112.1	L385 L388 P389 A390 I391 V397 S398 I417 K420	L385-L393 HydrophobicContact CB-CD1 4.39Å; L388-L393 HydrophobicContact CB-CB 4.46Å; L388-L393 HydrophobicContact CD1-CD1 4.33Å; P389-L393 PolarHBondContact O-N 2.98Å; A390-L393 PolarHBondContact O-N 2.95Å; I391-L393 PolarHBondContact O-N 3.07Å; L393-V397 HydrophobicContact CD1-CB 4.14Å; L393-V397 HydrophobicContact CD1-CG1 4.17Å; L393-V397 HydrophobicContact CD1-CG2 4.41Å; L393-S398 PolarHBondContact O-N 2.64Å; L393-I417 HydrophobicContact CD2-CG1 3.93Å; L393-I417 HydrophobicContact CG-CG1 3.99Å; L393-K420 HydrophobicContact CD2-CB 4.05Å; L393-K420 HydrophobicContact CD2-CG 4.26Å
394	M	75.4	Confident	76	Confident	73 Å²	73	48.7 Å²	48.7	36%	0.36	26%	0.256	S	S	.	.	I	π-helix	trans	-84.6	-39.8	-177.1	-67.9	177.8	-176.8	0	0	113	A390 I391 F392 S398 L421	A390-M394 WeakPolarHBondContact O-CB 3.14Å; A390-M394 VanDerWaalsContact O-CG 3.3Å; A390-M394 WeakPolarHBondContact O-CG 3.08Å; A390-M394 PolarHBondContact O-N 2.94Å; I391-M394 PolarHBondContact O-N 2.61Å; I391-M394 VanDerWaalsContact O-N 3.15Å; F392-M394 VanDerWaalsContact C-N 3.32Å; F392-M394 PolarHBondContact O-N 2.71Å; M394-S398 PolarHBondContact O-OG 3.07Å; M394-L421 HydrophobicContact CE-CD2 4.08Å
395	E	77.3	Confident	76.1	Confident	131 Å²	131	53.8 Å²	53.8	61%	0.612	28%	0.284	S	S	*	.	I	π-helix	trans	-98.7	-18.7	-171.5	-64.1	-176.1	176.5	0	0	114.8	I391 T399	I391-E395 HydrophobicContact CG2-CG 4.26Å; I391-E395 WeakPolarHBondContact CG2-OE2 3.47Å; I391-E395 WeakPolarHBondContact O-CB 3.23Å; I391-E395 PolarHBondContact O-N 2.85Å; E395-T399 PolarHBondContact O-OG1 3.49Å
396	N	78.2	Confident	76.2	Confident	74 Å²	74	55 Å²	55	40%	0.396	29%	0.29	S	S	.	.	I	π-helix	trans	-113.2	-59.9	177.1	-58.2	76.7	0	0	0	110.7	F392 S398 T399 E400	F392-N396 HydrophobicContact CD2-CB 4.01Å; F392-N396 HydrophobicContact CE2-CB 4.03Å; F392-N396 HydrophobicContact CG-CB 4.44Å; F392-N396 HydrophobicContact CZ-CB 4.48Å; F392-N396 WeakPolarHBondContact O-CB 3.45Å; F392-N396 PolarHBondContact O-N 2.83Å; N396-S398 PolarHBondContact O-N 3.43Å; N396-T399 PolarHBondContact O-N 3.07Å; N396-T399 PolarHBondContact O-OG1 3.36Å; N396-E400 PolarHBondContact O-N 3.29Å; N396-E400 VanDerWaalsContact O-N 3.14Å
397	V	80.4	Confident	76.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.318	C	S	.	.	I	π-helix	trans	-66.6	-35	-172.2	-175.3	0	0	0	0	112.5	Y358 L385 L388 F392 L393 I403 V413	Y358-V397 HydrophobicContact CE1-CG2 3.93Å; Y358-V397 HydrophobicContact CE2-CB 4.49Å; Y358-V397 HydrophobicContact CE2-CG1 3.8Å; Y358-V397 HydrophobicContact CE2-CG2 4.03Å; L385-V397 HydrophobicContact CD2-CG1 4.45Å; L388-V397 HydrophobicContact CD1-CG2 4.08Å; F392-V397 HydrophobicContact CD1-CG2 3.91Å; F392-V397 HydrophobicContact CE1-CG2 3.8Å; F392-V397 PolarHBondContact O-N 2.97Å; F392-V397 VanDerWaalsContact O-N 3.11Å; L393-V397 HydrophobicContact CD1-CB 4.14Å; L393-V397 HydrophobicContact CD1-CG1 4.17Å; L393-V397 HydrophobicContact CD1-CG2 4.41Å; V397-I403 HydrophobicContact CG1-CD1 3.96Å; V397-V413 HydrophobicContact CG1-CG1 4.26Å; V397-V413 HydrophobicContact CG1-CG2 3.91Å
398	S	75.8	Confident	77.6	Confident	44 Å²	44	63 Å²	63	31%	0.308	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-23.4	-180	94.7	0	0	0	0	113.9	L393 M394 N396 N404	L393-S398 PolarHBondContact O-N 2.64Å; M394-S398 PolarHBondContact O-OG 3.07Å; N396-S398 PolarHBondContact O-N 3.43Å; S398-N404 PolarHBondContact O-ND2 3.07Å
399	T	77.6	Confident	78.2	Confident	83 Å²	83	63 Å²	63	51%	0.509	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-16	-177.8	52.9	0	0	0	0	113.4	E395 N396 E401	E395-T399 PolarHBondContact O-OG1 3.49Å; N396-T399 PolarHBondContact O-N 3.07Å; N396-T399 PolarHBondContact O-OG1 3.36Å; T399-E401 PolarHBondContact O-N 3.27Å
400	E	84	Confident	79.1	Confident	67 Å²	67	65.4 Å²	65.4	31%	0.313	34%	0.342	S	S	.	.			trans	-55.4	126.1	-177.8	-162.4	72.4	-178.8	0	0	111.6	N396 L402 I403 N404	N396-E400 PolarHBondContact O-N 3.29Å; N396-E400 VanDerWaalsContact O-N 3.14Å; E400-L402 PolarHBondContact O-N 3.32Å; E400-I403 HydrophobicContact CB-CB 4.23Å; E400-I403 HydrophobicContact CB-CD1 4.03Å; E400-I403 HydrophobicContact CB-CG1 4.09Å; E400-I403 HydrophobicContact CG-CD1 4.37Å; E400-I403 HydrophobicContact CG-CG1 4.27Å; E400-I403 PolarHBondContact O-N 3.03Å; E400-N404 PolarHBondContact O-N 3.18Å; E400-N404 VanDerWaalsContact O-N 3.13Å; E400-N404 PolarHBondContact O-ND2 3.08Å
401	E	80.2	Confident	79.9	Confident	161 Å²	161	70 Å²	70	75%	0.752	36%	0.359	S	S	*	.	H	α-helix	trans	-64	-45.1	-173.8	-63.6	-174.1	160.6	0	0	111.4	T399 I403 N404 D405	T399-E401 PolarHBondContact O-N 3.27Å; E401-I403 PolarHBondContact O-N 3.05Å; E401-I403 VanDerWaalsContact O-N 3.13Å; E401-N404 PolarHBondContact O-N 3.5Å; E401-D405 PolarHBondContact O-N 3.18Å
402	L	78.9	Confident	80.5	Confident	39 Å²	39	66.6 Å²	66.6	20%	0.204	34%	0.341	C	S	.	.	H	α-helix	trans	-56.5	-31.2	177.6	-62.9	174.1	0	0	0	113.6	N366 L369 L376 E400	N366-L402 WeakPolarHBondContact OD1-CD1 3.36Å; L369-L402 HydrophobicContact CD2-CD1 4.14Å; L369-L402 HydrophobicContact CD2-CD2 4.05Å; L376-L402 HydrophobicContact CD2-CB 4.34Å; L376-L402 WeakPolarHBondContact CD2-O 3.02Å; E400-L402 PolarHBondContact O-N 3.32Å
403	I	80.9	Confident	81	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-81.8	-37.8	178.6	-64.6	-177.1	0	0	0	110.5	Y358 L376 L380 V397 E400 E401 Q406 V413	Y358-I403 HydrophobicContact CE2-CD1 4.13Å; Y358-I403 WeakPolarHBondContact OH-CD1 3.33Å; L376-I403 HydrophobicContact CD2-CG1 4.29Å; L380-I403 HydrophobicContact CD1-CD1 4.32Å; L380-I403 HydrophobicContact CD1-CG1 4.27Å; L380-I403 HydrophobicContact CD2-CD1 4.31Å; V397-I403 HydrophobicContact CG1-CD1 3.96Å; E400-I403 HydrophobicContact CB-CB 4.23Å; E400-I403 HydrophobicContact CB-CD1 4.03Å; E400-I403 HydrophobicContact CB-CG1 4.09Å; E400-I403 HydrophobicContact CG-CD1 4.37Å; E400-I403 HydrophobicContact CG-CG1 4.27Å; E400-I403 PolarHBondContact O-N 3.03Å; E401-I403 PolarHBondContact O-N 3.05Å; E401-I403 VanDerWaalsContact O-N 3.13Å; I403-Q406 PolarHBondContact O-N 2.9Å; I403-V413 HydrophobicContact CG2-CG2 3.85Å
404	N	81.1	Confident	81.3	Confident	57 Å²	57	68.5 Å²	68.5	31%	0.305	35%	0.353	S	S	.	.	H	α-helix	trans	-72.5	-30.8	179.4	-82.3	-72.3	0	0	0	113.5	S398 E400 E401 Q406 K410	S398-N404 PolarHBondContact O-ND2 3.07Å; E400-N404 PolarHBondContact O-N 3.18Å; E400-N404 VanDerWaalsContact O-N 3.13Å; E400-N404 PolarHBondContact O-ND2 3.08Å; E401-N404 PolarHBondContact O-N 3.5Å; N404-Q406 PolarHBondContact O-N 3.18Å; N404-K410 PolarHBondContact OD1-NZ 3.45Å
405	D	81.1	Confident	81.6	Confident	128 Å²	128	68.5 Å²	68.5	68%	0.684	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.4	174.6	-82	-6.9	0	0	0	113.1	E401	E401-D405 PolarHBondContact O-N 3.18Å
406	Q	82.9	Confident	81.7	Confident	29 Å²	29	62.3 Å²	62.3	14%	0.136	32%	0.323	C	S	.	.			trans	-113.6	108.9	-180	-64.4	-165.4	17.8	0	0	113	H373 P377 I403 N404 K408 S409 K410	H373-Q406 PolarHBondContact CD2-NE2 3.29Å; H373-Q406 PolarHBondContact CE1-NE2 3.03Å; H373-Q406 PolarHBondContact ND1-NE2 3.19Å; H373-Q406 PolarHBondContact NE2-NE2 2.64Å; H373-Q406 PolarHBondContact O-NE2 2.97Å; P377-Q406 VanDerWaalsContact CD-OE1 3.22Å; I403-Q406 PolarHBondContact O-N 2.9Å; N404-Q406 PolarHBondContact O-N 3.18Å; Q406-K408 VanDerWaalsContact C-N 3.25Å; Q406-K408 PolarHBondContact O-N 3.25Å; Q406-K408 VanDerWaalsContact O-N 3.1Å; Q406-S409 WeakPolarHBondContact O-CB 3.33Å; Q406-S409 PolarHBondContact O-N 3.15Å; Q406-S409 PolarHBondContact OE1-OG 3.26Å; Q406-K410 PolarHBondContact O-N 3.07Å
407	A	83	Confident	81.8	Confident	71 Å²	71	60.2 Å²	60.2	59%	0.587	31%	0.312	S	S	*	.	H	α-helix	trans	-50	-40.7	178.5	0	0	0	0	0	114.1	K410 E411	A407-K410 PolarHBondContact O-N 3.21Å; A407-E411 WeakPolarHBondContact O-CG 3.37Å; A407-E411 PolarHBondContact O-N 2.91Å
408	K	83.5	Confident	81.7	Confident	150 Å²	150	66.9 Å²	66.9	65%	0.652	34%	0.337	S	S	*	.	H	α-helix	trans	-67	-39	178	-67.2	-177.4	-179.8	177.3	0	113.2	P377 Q406 L412	P377-K408 HydrophobicContact CB-CB 4.13Å; P377-K408 HydrophobicContact CG-CB 4.22Å; Q406-K408 VanDerWaalsContact C-N 3.25Å; Q406-K408 PolarHBondContact O-N 3.25Å; Q406-K408 VanDerWaalsContact O-N 3.1Å; K408-L412 WeakPolarHBondContact O-CG 3.4Å; K408-L412 PolarHBondContact O-N 3.05Å
409	S	84.3	Confident	81.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.5	-42.4	177	-60	0	0	0	0	110.4	Q406 L412 V413	Q406-S409 WeakPolarHBondContact O-CB 3.33Å; Q406-S409 PolarHBondContact O-N 3.15Å; Q406-S409 PolarHBondContact OE1-OG 3.26Å; S409-L412 PolarHBondContact O-N 2.92Å; S409-V413 PolarHBondContact O-N 2.92Å; S409-V413 VanDerWaalsContact O-N 3.12Å
410	K	85.3	Confident	80.9	Confident	88 Å²	88	62.3 Å²	62.3	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-46	174.2	-172	168.4	-172	138.8	0	113.1	N404 Q406 A407 L412 V413 D414	N404-K410 PolarHBondContact OD1-NZ 3.45Å; Q406-K410 PolarHBondContact O-N 3.07Å; A407-K410 PolarHBondContact O-N 3.21Å; K410-L412 VanDerWaalsContact C-N 3.28Å; K410-L412 PolarHBondContact O-N 2.88Å; K410-V413 PolarHBondContact O-N 3.43Å; K410-D414 WeakPolarHBondContact O-CB 3.49Å; K410-D414 PolarHBondContact O-N 2.91Å
411	E	85.9	Confident	80	Confident	128 Å²	128	62.3 Å²	62.3	60%	0.598	31%	0.307	S	S	*	.	H	α-helix	trans	-57.5	-38.4	176.2	-78	174.6	-174.4	0	0	112.9	A407 E415	A407-E411 WeakPolarHBondContact O-CG 3.37Å; A407-E411 PolarHBondContact O-N 2.91Å; E411-E415 PolarHBondContact O-N 2.83Å
412	L	84.1	Confident	79.1	Confident	44 Å²	44	59.8 Å²	59.8	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-41.1	176.3	-70.2	170	0	0	0	112.4	P377 L380 R381 K408 S409 K410 E415 A416	P377-L412 HydrophobicContact CB-CD1 4.47Å; P377-L412 WeakPolarHBondContact O-CD1 3.25Å; L380-L412 HydrophobicContact CB-CD1 4.39Å; R381-L412 HydrophobicContact CB-CD1 4.39Å; R381-L412 HydrophobicContact CG-CD2 4.41Å; K408-L412 WeakPolarHBondContact O-CG 3.4Å; K408-L412 PolarHBondContact O-N 3.05Å; S409-L412 PolarHBondContact O-N 2.92Å; K410-L412 VanDerWaalsContact C-N 3.28Å; K410-L412 PolarHBondContact O-N 2.88Å; L412-E415 PolarHBondContact O-N 2.93Å; L412-A416 WeakPolarHBondContact O-CB 3.19Å; L412-A416 PolarHBondContact O-N 3.26Å
413	V	84.5	Confident	78.1	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-41.5	175.3	174.1	0	0	0	0	110.8	L385 V397 I403 S409 K410 E415 A416 I417	L385-V413 HydrophobicContact CD1-CG2 4.12Å; V397-V413 HydrophobicContact CG1-CG1 4.26Å; V397-V413 HydrophobicContact CG1-CG2 3.91Å; I403-V413 HydrophobicContact CG2-CG2 3.85Å; S409-V413 PolarHBondContact O-N 2.92Å; S409-V413 VanDerWaalsContact O-N 3.12Å; K410-V413 PolarHBondContact O-N 3.43Å; V413-E415 VanDerWaalsContact C-N 3.33Å; V413-E415 PolarHBondContact O-N 2.78Å; V413-A416 WeakPolarHBondContact O-CB 3.14Å; V413-A416 PolarHBondContact O-N 2.81Å; V413-A416 VanDerWaalsContact O-N 3.14Å; V413-I417 HydrophobicContact CG1-CD1 3.91Å; V413-I417 HydrophobicContact CG1-CG1 4.43Å; V413-I417 WeakPolarHBondContact O-CG1 3.38Å; V413-I417 PolarHBondContact O-N 3.41Å
414	D	83.4	Confident	76.7	Confident	65 Å²	65	65.9 Å²	65.9	35%	0.348	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-37.5	174.2	-75.6	-22.4	0	0	0	112	K410 R418	K410-D414 WeakPolarHBondContact O-CB 3.49Å; K410-D414 PolarHBondContact O-N 2.91Å; D414-R418 VanDerWaalsContact O-CG 3.32Å; D414-R418 WeakPolarHBondContact O-CG 3.31Å; D414-R418 PolarHBondContact O-N 2.95Å
415	E	82	Confident	75.2	Confident	74 Å²	74	69 Å²	69	35%	0.346	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-46.3	170.6	-167.8	-173.1	154.2	0	0	111.2	E411 L412 V413 I417 R418 C419 S432	E411-E415 PolarHBondContact O-N 2.83Å; L412-E415 PolarHBondContact O-N 2.93Å; V413-E415 VanDerWaalsContact C-N 3.33Å; V413-E415 PolarHBondContact O-N 2.78Å; E415-I417 VanDerWaalsContact C-N 3.33Å; E415-I417 PolarHBondContact O-N 3.43Å; E415-R418 VanDerWaalsContact CA-NH2 3.34Å; E415-R418 PolarHBondContact O-N 2.84Å; E415-C419 WeakPolarHBondContact O-CB 3.29Å; E415-C419 PolarHBondContact O-N 2.79Å; E415-C419 PolarHBondContact O-SG 3.41Å; E415-S432 PolarHBondContact OE1-OG 2.87Å
416	A	79.4	Confident	73.6	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-39.8	178.6	0	0	0	0	0	112.7	L385 L412 V413 C419 K420	L385-A416 HydrophobicContact CB-CB 3.39Å; L385-A416 HydrophobicContact CD1-CB 4.21Å; L385-A416 HydrophobicContact CG-CB 4.47Å; L412-A416 WeakPolarHBondContact O-CB 3.19Å; L412-A416 PolarHBondContact O-N 3.26Å; V413-A416 WeakPolarHBondContact O-CB 3.14Å; V413-A416 PolarHBondContact O-N 2.81Å; V413-A416 VanDerWaalsContact O-N 3.14Å; A416-C419 WeakPolarHBondContact O-CB 3.4Å; A416-C419 PolarHBondContact O-N 2.84Å; A416-K420 WeakPolarHBondContact O-CB 3.41Å; A416-K420 PolarHBondContact O-N 2.83Å
417	I	80.1	Confident	71.3	Confident	30 Å²	30	71.6 Å²	71.6	15%	0.154	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-46	174.5	-68.3	166.3	0	0	0	110.5	L393 V413 E415 C419 K420 L421	L393-I417 HydrophobicContact CD2-CG1 3.93Å; L393-I417 HydrophobicContact CG-CG1 3.99Å; V413-I417 HydrophobicContact CG1-CD1 3.91Å; V413-I417 HydrophobicContact CG1-CG1 4.43Å; V413-I417 WeakPolarHBondContact O-CG1 3.38Å; V413-I417 PolarHBondContact O-N 3.41Å; E415-I417 VanDerWaalsContact C-N 3.33Å; E415-I417 PolarHBondContact O-N 3.43Å; I417-C419 VanDerWaalsContact C-N 3.28Å; I417-C419 PolarHBondContact O-N 2.97Å; I417-K420 PolarHBondContact O-N 2.88Å; I417-K420 VanDerWaalsContact O-N 3.17Å; I417-L421 HydrophobicContact CG2-CD1 3.98Å; I417-L421 HydrophobicContact CG2-CG 4.4Å; I417-L421 WeakPolarHBondContact O-CG 3.35Å; I417-L421 PolarHBondContact O-N 2.97Å
418	R	78.1	Confident	69.3	Low	139 Å²	139	71 Å²	71	53%	0.525	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-40.3	174.2	-73	-176.7	-62.4	-99.7	2.5	111.8	D414 E415 K422	D414-R418 VanDerWaalsContact O-CG 3.32Å; D414-R418 WeakPolarHBondContact O-CG 3.31Å; D414-R418 PolarHBondContact O-N 2.95Å; E415-R418 VanDerWaalsContact CA-NH2 3.34Å; E415-R418 PolarHBondContact O-N 2.84Å; R418-K422 WeakPolarHBondContact O-CG 3.17Å; R418-K422 PolarHBondContact O-N 3.2Å; R418-K422 VanDerWaalsContact O-N 3.17Å
419	C	69.1	Low	67.1	Low	8 Å²	8	67.9 Å²	67.9	5%	0.054	35%	0.347	C	S	.	.	H	α-helix	trans	-65.3	-45.4	174.1	-72.4	0	0	0	0	111.6	A386 E415 A416 I417 L421 K422 I423 V430	A386-C419 HydrophobicContact CB-CB 3.81Å; E415-C419 WeakPolarHBondContact O-CB 3.29Å; E415-C419 PolarHBondContact O-N 2.79Å; E415-C419 PolarHBondContact O-SG 3.41Å; A416-C419 WeakPolarHBondContact O-CB 3.4Å; A416-C419 PolarHBondContact O-N 2.84Å; I417-C419 VanDerWaalsContact C-N 3.28Å; I417-C419 PolarHBondContact O-N 2.97Å; C419-L421 PolarHBondContact O-N 3.15Å; C419-K422 PolarHBondContact O-N 2.76Å; C419-I423 VanDerWaalsContact O-CG1 3.25Å; C419-I423 WeakPolarHBondContact O-CG1 3.39Å; C419-I423 PolarHBondContact O-N 2.84Å; C419-V430 HydrophobicContact CB-CG1 3.89Å; C419-V430 VanDerWaalsContact SG-CG1 3.56Å
420	K	66.9	Low	65.3	Low	23 Å²	23	69.2 Å²	69.2	10%	0.1	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-45.4	177.3	-167.3	76.9	-172.8	-173.2	0	111.7	A386 L387 L388 L393 A416 I417 I423 L424	A386-K420 WeakPolarHBondContact O-CD 3.39Å; A386-K420 PolarHBondContact O-NZ 2.99Å; L387-K420 PolarHBondContact O-NZ 2.83Å; L388-K420 VanDerWaalsContact O-CE 3.27Å; L388-K420 WeakPolarHBondContact O-CE 3.37Å; L388-K420 PolarHBondContact O-NZ 2.9Å; L393-K420 HydrophobicContact CD2-CB 4.05Å; L393-K420 HydrophobicContact CD2-CG 4.26Å; A416-K420 WeakPolarHBondContact O-CB 3.41Å; A416-K420 PolarHBondContact O-N 2.83Å; I417-K420 PolarHBondContact O-N 2.88Å; I417-K420 VanDerWaalsContact O-N 3.17Å; K420-I423 PolarHBondContact O-N 3.13Å; K420-L424 HydrophobicContact CG-CD1 4.12Å; K420-L424 VanDerWaalsContact O-CG 3.32Å; K420-L424 WeakPolarHBondContact O-CG 3.46Å; K420-L424 PolarHBondContact O-N 2.83Å
421	L	65.7	Low	63.5	Low	67 Å²	67	71.9 Å²	71.9	35%	0.351	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-43.5	178.2	-70.6	170.6	0	0	0	111.5	M394 I417 C419 I423 L424 Q425	M394-L421 HydrophobicContact CE-CD2 4.08Å; I417-L421 HydrophobicContact CG2-CD1 3.98Å; I417-L421 HydrophobicContact CG2-CG 4.4Å; I417-L421 WeakPolarHBondContact O-CG 3.35Å; I417-L421 PolarHBondContact O-N 2.97Å; C419-L421 PolarHBondContact O-N 3.15Å; L421-I423 PolarHBondContact O-N 2.79Å; L421-L424 PolarHBondContact O-N 2.82Å; L421-Q425 VanDerWaalsContact O-CB 3.3Å; L421-Q425 WeakPolarHBondContact O-CB 3.46Å; L421-Q425 VanDerWaalsContact O-CG 3.26Å; L421-Q425 WeakPolarHBondContact O-CG 3.33Å; L421-Q425 PolarHBondContact O-N 2.87Å
422	K	61.7	Low	62.2	Low	108 Å²	108	67.2 Å²	67.2	47%	0.47	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-41.4	173.2	-73.3	179.2	179	-175.5	0	113.1	R418 C419 Q425 N426 D427 V430	R418-K422 WeakPolarHBondContact O-CG 3.17Å; R418-K422 PolarHBondContact O-N 3.2Å; R418-K422 VanDerWaalsContact O-N 3.17Å; C419-K422 PolarHBondContact O-N 2.76Å; K422-Q425 PolarHBondContact O-N 2.99Å; K422-N426 PolarHBondContact O-N 3.07Å; K422-D427 PolarHBondContact O-N 2.78Å; K422-V430 HydrophobicContact CB-CG2 4.05Å
423	I	56.8	Low	60.9	Low	67 Å²	67	70 Å²	70	34%	0.344	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-44.9	175.8	-66.5	164.3	0	0	0	110.5	A386 C419 K420 L421 Q425 N426 V430 A435	A386-I423 HydrophobicContact CB-CD1 4.32Å; C419-I423 VanDerWaalsContact O-CG1 3.25Å; C419-I423 WeakPolarHBondContact O-CG1 3.39Å; C419-I423 PolarHBondContact O-N 2.84Å; K420-I423 PolarHBondContact O-N 3.13Å; L421-I423 PolarHBondContact O-N 2.79Å; I423-Q425 VanDerWaalsContact C-N 3.33Å; I423-Q425 PolarHBondContact O-N 3.17Å; I423-N426 PolarHBondContact O-N 2.66Å; I423-V430 HydrophobicContact CG1-CG2 4.04Å; I423-A435 HydrophobicContact CD1-CB 3.92Å
424	L	51.6	Low	59.9	Low	103 Å²	103	71 Å²	71	54%	0.539	38%	0.383	S	S	.	.	H	α-helix	trans	-68	-31.3	178.1	-68.7	170.2	0	0	0	112.9	A390 K420 L421	A390-L424 HydrophobicContact CB-CD1 4.3Å; K420-L424 HydrophobicContact CG-CD1 4.12Å; K420-L424 VanDerWaalsContact O-CG 3.32Å; K420-L424 WeakPolarHBondContact O-CG 3.46Å; K420-L424 PolarHBondContact O-N 2.83Å; L421-L424 PolarHBondContact O-N 2.82Å
425	Q	50.2	Low	58.6	Low	122 Å²	122	68.5 Å²	68.5	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-87.7	-6	179.2	-69.7	169.2	-19.9	0	0	113.4	L421 K422 I423 D427	L421-Q425 VanDerWaalsContact O-CB 3.3Å; L421-Q425 WeakPolarHBondContact O-CB 3.46Å; L421-Q425 VanDerWaalsContact O-CG 3.26Å; L421-Q425 WeakPolarHBondContact O-CG 3.33Å; L421-Q425 PolarHBondContact O-N 2.87Å; K422-Q425 PolarHBondContact O-N 2.99Å; I423-Q425 VanDerWaalsContact C-N 3.33Å; I423-Q425 PolarHBondContact O-N 3.17Å; Q425-D427 HydrophobicContact CB-CB 4.45Å; Q425-D427 PolarHBondContact O-N 3.04Å
426	N	46.9	Very low	57.6	Low	105 Å²	105	71.5 Å²	71.5	56%	0.561	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	22	-169.7	-62.9	-64	0	0	0	114.7	K422 I423 G428	K422-N426 PolarHBondContact O-N 3.07Å; I423-N426 PolarHBondContact O-N 2.66Å; N426-G428 VanDerWaalsContact C-N 3.32Å; N426-G428 PolarHBondContact O-N 3.26Å
427	D	35.5	Very low	56.6	Low	107 Å²	107	73.3 Å²	73.3	57%	0.572	39%	0.391	S	S	*	.			trans	-82.8	73	-177.1	-91.1	-23.7	0	0	0	112.2	K422 Q425	K422-D427 PolarHBondContact O-N 2.78Å; Q425-D427 HydrophobicContact CB-CB 4.45Å; Q425-D427 PolarHBondContact O-N 3.04Å
428	G	39.8	Very low	55.8	Low	59 Å²	59	72.3 Å²	72.3	61%	0.608	39%	0.385	S	S	*	.	S	Bend	trans	86.3	175.3	167.1	0	0	0	0	0	116.1	N426 V430	N426-G428 VanDerWaalsContact C-N 3.32Å; N426-G428 PolarHBondContact O-N 3.26Å; G428-V430 PolarHBondContact O-N 2.83Å
429	V	38.2	Very low	54.7	Low	83 Å²	83	70.2 Å²	70.2	50%	0.503	38%	0.38	S	S	.	.			trans	-82.1	111.6	-177	-170.6	0	0	0	0	110.1	N431 H535	V429-N431 WeakPolarHBondContact CG1-OD1 3.29Å; V429-N431 PolarHBondContact O-N 2.84Å; V429-H535 VanDerWaalsContact CG2-NE2 3.34Å; V429-H535 WeakPolarHBondContact CG2-NE2 3.41Å
430	V	45.5	Very low	53.7	Low	29 Å²	29	72.5 Å²	72.5	18%	0.176	39%	0.394	C	S	.	.			trans	-81.1	98.4	173.7	-173.5	0	0	0	0	109.5	C419 K422 I423 G428 S432 A435	C419-V430 HydrophobicContact CB-CG1 3.89Å; C419-V430 VanDerWaalsContact SG-CG1 3.56Å; K422-V430 HydrophobicContact CB-CG2 4.05Å; I423-V430 HydrophobicContact CG1-CG2 4.04Å; G428-V430 PolarHBondContact O-N 2.83Å; V430-S432 VanDerWaalsContact C-N 3.3Å; V430-A435 HydrophobicContact CB-CB 3.99Å; V430-A435 HydrophobicContact CG1-CB 3.5Å; V430-A435 VanDerWaalsContact CG1-CB 3.5Å
431	N	48.2	Very low	53	Low	143 Å²	143	72.7 Å²	72.7	77%	0.765	40%	0.398	S	S	*	.			trans	-82.5	-0.5	176.8	-71.7	-30.9	0	0	0	114	V429	V429-N431 WeakPolarHBondContact CG1-OD1 3.29Å; V429-N431 PolarHBondContact O-N 2.84Å
432	S	57.8	Low	52.6	Low	30 Å²	30	72.1 Å²	72.1	21%	0.21	39%	0.393	C	S	.	.	S	Bend	trans	-64.4	138.9	178.1	-64.9	0	0	0	0	111	E415 V430 C434 A435	E415-S432 PolarHBondContact OE1-OG 2.87Å; V430-S432 VanDerWaalsContact C-N 3.3Å; S432-C434 WeakPolarHBondContact CB-SG 3.48Å; S432-C434 PolarHBondContact O-N 2.81Å; S432-C434 VanDerWaalsContact O-N 3.08Å; S432-A435 PolarHBondContact O-N 2.8Å
433	P	57.3	Low	52.9	Low	103 Å²	103	67.1 Å²	67.1	67%	0.669	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-54.4	-31.3	-179.9	-27.9	35.3	0	0	0	114.4	A435 R436	P433-A435 PolarHBondContact O-N 2.83Å; P433-A435 VanDerWaalsContact O-N 3.14Å; P433-R436 PolarHBondContact O-N 2.87Å
434	C	62.8	Low	53.9	Low	24 Å²	24	64 Å²	64	16%	0.162	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-63.2	-14.2	178	62.4	0	0	0	0	114.8	R384 A386 S432	R384-C434 CarbonylContact C-O 3.58Å; A386-C434 WeakPolarHBondContact CB-O 3.44Å; A386-C434 PolarHBondContact N-O 2.85Å; A386-C434 VanDerWaalsContact N-O 3.13Å; S432-C434 WeakPolarHBondContact CB-SG 3.48Å; S432-C434 PolarHBondContact O-N 2.81Å; S432-C434 VanDerWaalsContact O-N 3.08Å
435	A	57	Low	55.2	Low	13 Å²	13	59.5 Å²	59.5	11%	0.107	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-116.8	-2.7	-175.9	0	0	0	0	0	114.7	A386 I423 V430 S432 P433	A386-A435 HydrophobicContact CB-CB 4.12Å; I423-A435 HydrophobicContact CD1-CB 3.92Å; V430-A435 HydrophobicContact CB-CB 3.99Å; V430-A435 HydrophobicContact CG1-CB 3.5Å; V430-A435 VanDerWaalsContact CG1-CB 3.5Å; S432-A435 PolarHBondContact O-N 2.8Å; P433-A435 PolarHBondContact O-N 2.83Å; P433-A435 VanDerWaalsContact O-N 3.14Å
436	R	61.5	Low	56.6	Low	138 Å²	138	53.7 Å²	53.7	52%	0.521	31%	0.305	S	S	.	.	S	Bend	trans	-100.3	109.6	-176.4	175.8	-178.7	168.1	-122.2	-14.1	110.8	E347 R384 P433	E347-R436 IonicContact OE1-CZ 2.67Å; E347-R436 IonicContact OE1-NH1 2.78Å; E347-R436 PolarHBondContact OE1-NH1 2.81Å; E347-R436 IonicContact OE1-NH2 3.26Å; E347-R436 PolarHBondContact OE1-NH2 2.82Å; E347-R436 IonicContact OE2-NH2 3.41Å; R384-R436 WeakPolarHBondContact CD-O 3.36Å; R384-R436 PolarHBondContact NE-O 3.08Å; P433-R436 PolarHBondContact O-N 2.87Å
437	P	58.2	Low	58.1	Low	38 Å²	38	48.7 Å²	48.7	25%	0.247	28%	0.278	C	S	.	.			trans	-53.4	154.8	-173.9	-27.4	35.1	0	0	0	116.8	L387 W731	L387-P437 HydrophobicContact CD1-CB 4.15Å; L387-P437 HydrophobicContact CD1-CG 4.03Å; L387-P437 HydrophobicContact CD2-CG 4.33Å; P437-W731 HydrophobicContact CB-CE3 3.96Å; P437-W731 HydrophobicContact CB-CZ3 3.97Å; P437-W731 HydrophobicContact CG-CE3 3.97Å; P437-W731 HydrophobicContact CG-CZ3 4.23Å
438	R	63.5	Low	59.6	Low	10 Å²	10	43.6 Å²	43.6	4%	0.038	25%	0.251	C	S	.	.			trans	-54.2	147.9	164.8	-119.2	150.9	-109.1	-70.8	6	108.1	L344 H346 E347 L349 T351 E354 R384 T440	L344-R438 PolarHBondContact O-NH1 3Å; L344-R438 PolarHBondContact O-NH2 3.01Å; H346-R438 PolarHBondContact O-NH1 2.84Å; E347-R438 WeakPolarHBondContact O-CG 3.45Å; L349-R438 HydrophobicContact CB-CG 4.36Å; L349-R438 WeakPolarHBondContact O-CD 3.37Å; L349-R438 WeakPolarHBondContact O-CG 3.46Å; T351-R438 VanDerWaalsContact OG1-CD 3.25Å; T351-R438 WeakPolarHBondContact OG1-CD 3.46Å; E354-R438 IonicContact OE1-CZ 2.64Å; E354-R438 IonicContact OE1-NE 3.15Å; E354-R438 IonicContact OE1-NH2 2.66Å; E354-R438 PolarHBondContact OE1-NH2 3.49Å; E354-R438 IonicContact OE2-CZ 3.85Å; E354-R438 IonicContact OE2-NE 2.68Å; E354-R438 PolarHBondContact OE2-NE 2.93Å; E354-R438 VanDerWaalsContact OE2-NE 3.13Å; E354-R438 IonicContact OE2-NH2 3.19Å; R384-R438 VanDerWaalsContact CZ-N 3.28Å; R384-R438 VanDerWaalsContact NH1-CB 3.33Å; R384-R438 VanDerWaalsContact NH1-CD 3.32Å; R438-T440 PolarHBondContact O-N 2.81Å
439	K	53.9	Low	60.2	Low	95 Å²	95	41 Å²	41	41%	0.413	22%	0.224	S	C	.	.	S	Bend	trans	-61.7	-15.1	-176.9	-87.5	171.2	169	150	0	113.7	E347 E348 S441	E347-K439 HydrophobicContact CB-CD 3.94Å; E347-K439 HydrophobicContact CB-CG 4.21Å; E347-K439 PolarHBondContact O-N 2.83Å; E347-K439 WeakPolarHBondContact OE2-CE 3.23Å; E347-K439 IonicContact OE2-NZ 3.92Å; E347-K439 PolarHBondContact OE2-NZ 2.92Å; E348-K439 HydrophobicContact CG-CD 3.93Å; E348-K439 IonicContact OE1-NZ 3.03Å; K439-S441 PolarHBondContact O-N 3.32Å
440	T	49.7	Very low	60.6	Low	56 Å²	56	43 Å²	43	34%	0.344	23%	0.228	S	C	.	.	S	Bend	trans	-100	41	-163.7	39.9	0	0	0	0	113.6	L349 E350 R438	L349-T440 PolarHBondContact O-OG1 3.13Å; E350-T440 HydrophobicContact CG-CG2 3.98Å; R438-T440 PolarHBondContact O-N 2.81Å
441	S	51.7	Low	60.8	Low	27 Å²	27	45.8 Å²	45.8	19%	0.189	25%	0.245	C	C	.	.			trans	-147.7	37.1	168.2	81.3	0	0	0	0	115.4	K439 A443 K732	K439-S441 PolarHBondContact O-N 3.32Å; S441-A443 PolarHBondContact O-N 2.71Å; S441-K732 WeakPolarHBondContact O-CA 3.42Å; S441-K732 WeakPolarHBondContact O-CB 3.41Å; S441-K732 PolarHBondContact O-N 3.42Å; S441-K732 PolarHBondContact OG-O 3.35Å
442	H	57.8	Low	60.8	Low	54 Å²	54	46.1 Å²	46.1	25%	0.25	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	107.7	170.5	-71.5	-67	0	0	0	112	S683 T730 W731	H442-S683 WeakPolarHBondContact CB-OG 3.33Å; H442-T730 CarbonylContact C-O 3.3Å; H442-T730 WeakPolarHBondContact CA-O 3.5Å; H442-W731 AromaticContact CE1-CE3 3.86Å; H442-W731 AromaticContact CE1-CH2 3.66Å; H442-W731 AromaticContact CE1-CZ2 3.84Å; H442-W731 AromaticContact CE1-CZ3 3.66Å
443	A	67.8	Low	60.6	Low	3 Å²	3	46.9 Å²	46.9	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.4	172.2	0	0	0	0	0	111	S441 F445 L459 S729 T730 K732	S441-A443 PolarHBondContact O-N 2.71Å; A443-F445 HydrophobicContact CB-CD2 4.01Å; A443-F445 HydrophobicContact CB-CE2 3.54Å; A443-F445 HydrophobicContact CB-CZ 4.29Å; A443-L459 HydrophobicContact CB-CD1 3.67Å; A443-S729 WeakPolarHBondContact O-CA 3.43Å; A443-T730 HydrophobicContact CB-CG2 4.05Å; A443-T730 PolarHBondContact N-O 3.19Å; A443-T730 PolarHBondContact O-N 3.36Å; A443-K732 HydrophobicContact CB-CB 3.72Å; A443-K732 HydrophobicContact CB-CG 4.11Å
444	L	76.3	Confident	60.8	Low	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.8	172.3	-73.4	177.4	0	0	0	109	V460 Q462 V681 Y688 F727	L444-V460 HydrophobicContact CB-CB 3.96Å; L444-V460 HydrophobicContact CB-CG2 4.26Å; L444-V460 PolarHBondContact O-N 2.99Å; L444-Q462 HydrophobicContact CD1-CG 4.42Å; L444-V681 HydrophobicContact CD2-CG1 3.51Å; L444-Y688 HydrophobicContact CD1-CD1 3.72Å; L444-Y688 HydrophobicContact CD1-CD2 4.21Å; L444-Y688 HydrophobicContact CD1-CE1 3.82Å; L444-Y688 HydrophobicContact CD1-CE2 4.34Å; L444-Y688 HydrophobicContact CD1-CG 3.92Å; L444-F727 HydrophobicContact CB-CE2 4Å; L444-F727 HydrophobicContact CB-CZ 4.33Å; L444-F727 HydrophobicContact CD1-CZ 4.26Å; L444-F727 HydrophobicContact CD2-CE2 4.2Å; L444-F727 HydrophobicContact CD2-CZ 4.01Å; L444-F727 HydrophobicContact CG-CZ 4.44Å
445	F	80.1	Confident	61.1	Low	9 Å²	9	43.7 Å²	43.7	4%	0.039	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.4	179.4	-76	-80.5	0	0	0	112.3	A443 L457 Y458 L459 K470 Y508 T510 F727 V728 T730	A443-F445 HydrophobicContact CB-CD2 4.01Å; A443-F445 HydrophobicContact CB-CE2 3.54Å; A443-F445 HydrophobicContact CB-CZ 4.29Å; F445-L457 HydrophobicContact CB-CD1 3.91Å; F445-L457 HydrophobicContact CD1-CD1 3.59Å; F445-L457 HydrophobicContact CD1-CD2 3.89Å; F445-L457 HydrophobicContact CD1-CG 3.69Å; F445-L457 HydrophobicContact CE1-CD1 4.41Å; F445-L457 HydrophobicContact CE1-CD2 3.88Å; F445-L457 HydrophobicContact CE1-CG 4.14Å; F445-L457 HydrophobicContact CG-CD1 4.03Å; F445-Y458 CarbonylContact C-O 3.55Å; F445-Y458 WeakPolarHBondContact CA-O 3.35Å; F445-L459 HydrophobicContact CD1-CB 4.27Å; F445-L459 HydrophobicContact CD1-CD1 4.36Å; F445-L459 HydrophobicContact CE1-CB 4Å; F445-L459 HydrophobicContact CE1-CD1 4.04Å; F445-L459 HydrophobicContact CE2-CD1 4.28Å; F445-L459 HydrophobicContact CZ-CD1 4Å; F445-K470 HydrophobicContact CE1-CG 4.48Å; F445-Y508 HydrophobicContact CE1-CE1 4.43Å; F445-Y508 HydrophobicContact CZ-CE1 4.41Å; F445-T510 HydrophobicContact CE2-CG2 3.71Å; F445-T510 HydrophobicContact CZ-CG2 4.03Å; F445-F727 WeakPolarHBondContact O-CD2 3.41Å; F445-V728 HydrophobicContact CB-CG2 3.84Å; F445-V728 PolarHBondContact N-O 3.44Å; F445-V728 PolarHBondContact O-N 3.12Å; F445-T730 HydrophobicContact CD2-CG2 3.41Å; F445-T730 VanDerWaalsContact CD2-CG2 3.41Å; F445-T730 HydrophobicContact CE2-CG2 3.4Å
446	L	78.9	Confident	62	Low	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.4	170.8	-64.6	167.9	0	0	0	109.3	Y458 V460 I467 V690 V718 L722 P724 F727	L446-Y458 PolarHBondContact N-O 2.82Å; L446-Y458 PolarHBondContact O-N 2.94Å; L446-V460 HydrophobicContact CD1-CG2 3.51Å; L446-V460 HydrophobicContact CG-CG2 3.75Å; L446-I467 HydrophobicContact CD1-CD1 4.04Å; L446-I467 HydrophobicContact CD1-CG1 4.46Å; L446-I467 HydrophobicContact CD1-CG2 4.06Å; L446-V690 HydrophobicContact CD1-CG2 4.49Å; L446-V690 HydrophobicContact CD2-CB 4.05Å; L446-V690 HydrophobicContact CD2-CG1 3.61Å; L446-V690 HydrophobicContact CD2-CG2 3.64Å; L446-V718 HydrophobicContact CD1-CG1 4.41Å; L446-L722 HydrophobicContact CB-CD2 4.2Å; L446-L722 HydrophobicContact CD1-CD2 4.44Å; L446-P724 HydrophobicContact CD2-CB 4.11Å; L446-P724 HydrophobicContact CD2-CG 4.18Å; L446-F727 HydrophobicContact CD2-CB 4.46Å; L446-F727 HydrophobicContact CD2-CD2 3.35Å; L446-F727 HydrophobicContact CD2-CE2 3.6Å; L446-F727 HydrophobicContact CD2-CG 3.99Å; L446-F727 HydrophobicContact CD2-CZ 4.4Å; L446-F727 HydrophobicContact CG-CD2 4.06Å; L446-F727 HydrophobicContact CG-CE2 4.08Å
447	L	77.8	Confident	63	Low	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.3	-177.7	-70.5	141.8	0	0	0	110.4	L457 I473 F480 A482 V489 I491 W515 T725 A726 V728	L447-L457 HydrophobicContact CD2-CD1 3.48Å; L447-L457 VanDerWaalsContact CD2-CD1 3.48Å; L447-L457 HydrophobicContact CG-CD1 3.87Å; L447-I473 HydrophobicContact CD2-CD1 4.1Å; L447-F480 HydrophobicContact CB-CE2 4.13Å; L447-F480 HydrophobicContact CB-CZ 4.05Å; L447-A482 HydrophobicContact CD1-CB 3.58Å; L447-V489 HydrophobicContact CD1-CG1 4.09Å; L447-I491 HydrophobicContact CD2-CD1 3.89Å; L447-I491 HydrophobicContact CD2-CG1 4.25Å; L447-W515 HydrophobicContact CD2-CH2 4.44Å; L447-T725 PolarHBondContact O-N 2.85Å; L447-A726 HydrophobicContact CB-CB 4.28Å; L447-A726 HydrophobicContact CD1-CB 4.05Å; L447-A726 PolarHBondContact N-O 2.87Å; L447-A726 PolarHBondContact O-N 3.03Å; L447-V728 HydrophobicContact CD1-CG1 4.1Å; L447-V728 HydrophobicContact CD1-CG2 3.89Å
448	G	68.4	Low	64	Low	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.			trans	105.8	169.6	167	0	0	0	0	0	117.1	C454 K456 L722	G448-C454 VanDerWaalsContact CA-CB 3.43Å; G448-K456 WeakPolarHBondContact CA-O 3.4Å; G448-K456 PolarHBondContact N-O 2.89Å; G448-L722 WeakPolarHBondContact O-CD2 3.49Å
449	G	52.2	Low	64.7	Low	4 Å²	4	40.1 Å²	40.1	4%	0.041	20%	0.2	C	C	.	.			trans	136.4	88	157.5	0	0	0	0	0	117.9	S721	G449-S721 CarbonylContact C-O 3.58Å; G449-S721 CarbonylContact O-C 3.55Å; G449-S721 WeakPolarHBondContact O-CB 3.27Å
450	Q	46.1	Very low	65.7	Low	126 Å²	126	36 Å²	36	59%	0.589	18%	0.182	S	C	*	.	B	Isolated β-bridge	trans	-148.6	103.9	138.2	-164.5	170.3	20.1	0	0	112.6	F452 M453	Q450-F452 PolarHBondContact O-N 3.03Å; Q450-M453 PolarHBondContact N-O 3.09Å; Q450-M453 VanDerWaalsContact N-O 3.12Å; Q450-M453 PolarHBondContact O-N 2.8Å
451	T	50.2	Low	66.5	Low	88 Å²	88	36 Å²	36	54%	0.54	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-38	166.2	-15.5	0	0	0	0	120.5
452	F	48.6	Very low	67	Low	150 Å²	150	38.6 Å²	38.6	66%	0.658	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-18.1	178.4	-71.3	-86.4	0	0	0	115.4	Q450 K478	Q450-F452 PolarHBondContact O-N 3.03Å; F452-K478 WeakPolarHBondContact O-CD 3.35Å; F452-K478 WeakPolarHBondContact O-CE 3.49Å; F452-K478 PolarHBondContact O-NZ 2.84Å
453	M	53.3	Low	66.9	Low	46 Å²	46	43.2 Å²	43.2	23%	0.227	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-144.3	164.9	173.6	-74.2	-55.5	164.2	0	0	112.2	Q450 P476 S497	Q450-M453 PolarHBondContact N-O 3.09Å; Q450-M453 VanDerWaalsContact N-O 3.12Å; Q450-M453 PolarHBondContact O-N 2.8Å; M453-P476 HydrophobicContact CB-CB 3.86Å; M453-P476 HydrophobicContact CG-CB 4.3Å; M453-S497 VanDerWaalsContact CE-CB 3.46Å; M453-S497 WeakPolarHBondContact CE-OG 3.36Å
454	C	61	Low	65.9	Low	6 Å²	6	45.6 Å²	45.6	4%	0.041	23%	0.228	C	C	.	.			trans	-113.7	106.4	173.5	-68.8	0	0	0	0	110.1	G448 P476 R477 F480 T725	G448-C454 VanDerWaalsContact CA-CB 3.43Å; C454-P476 VanDerWaalsContact O-CA 3.23Å; C454-P476 WeakPolarHBondContact O-CA 3.31Å; C454-P476 VanDerWaalsContact O-CB 3.27Å; C454-P476 WeakPolarHBondContact O-CB 3.48Å; C454-R477 VanDerWaalsContact CB-O 3.3Å; C454-R477 WeakPolarHBondContact CB-O 3.05Å; C454-R477 PolarHBondContact N-O 3.36Å; C454-F480 HydrophobicContact CB-CE1 3.79Å; C454-F480 HydrophobicContact CB-CZ 4.4Å; C454-T725 PolarHBondContact SG-OG1 2.87Å
455	D	69.1	Low	65.4	Low	53 Å²	53	51.2 Å²	51.2	28%	0.283	25%	0.253	S	S	.	.			trans	-110.1	-19	-169.5	61.9	-31	0	0	0	113.8	D472 I473 P476	D455-D472 CarbonylContact O-C 3.49Å; D455-D472 VanDerWaalsContact O-CA 3.26Å; D455-D472 WeakPolarHBondContact O-CA 3.46Å; D455-I473 PolarHBondContact O-N 2.94Å; D455-P476 HydrophobicContact CB-CB 4.49Å; D455-P476 HydrophobicContact CB-CG 4.18Å
456	K	75.3	Confident	64.7	Low	74 Å²	74	56.7 Å²	56.7	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.7	-172.4	-72.9	-177.8	-175.7	-162.1	0	115.5	G448 Y458 D472	G448-K456 WeakPolarHBondContact CA-O 3.4Å; G448-K456 PolarHBondContact N-O 2.89Å; K456-Y458 HydrophobicContact CB-CD2 4.2Å; K456-Y458 HydrophobicContact CB-CE2 3.5Å; K456-Y458 VanDerWaalsContact CB-CE2 3.5Å; K456-D472 WeakPolarHBondContact CE-OD1 3.37Å; K456-D472 VanDerWaalsContact CG-OD1 3.3Å; K456-D472 WeakPolarHBondContact CG-OD1 3.49Å
457	L	82.3	Confident	64.5	Low	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129	164.7	179.4	73.6	0	0	0	109	F445 L447 K470 A471 Y508	F445-L457 HydrophobicContact CB-CD1 3.91Å; F445-L457 HydrophobicContact CD1-CD1 3.59Å; F445-L457 HydrophobicContact CD1-CD2 3.89Å; F445-L457 HydrophobicContact CD1-CG 3.69Å; F445-L457 HydrophobicContact CE1-CD1 4.41Å; F445-L457 HydrophobicContact CE1-CD2 3.88Å; F445-L457 HydrophobicContact CE1-CG 4.14Å; F445-L457 HydrophobicContact CG-CD1 4.03Å; L447-L457 HydrophobicContact CD2-CD1 3.48Å; L447-L457 VanDerWaalsContact CD2-CD1 3.48Å; L447-L457 HydrophobicContact CG-CD1 3.87Å; L457-K470 HydrophobicContact CD2-CB 4.39Å; L457-K470 PolarHBondContact O-N 3Å; L457-A471 HydrophobicContact CB-CB 4.48Å; L457-A471 WeakPolarHBondContact CB-O 3.38Å; L457-A471 HydrophobicContact CD2-CB 4.36Å; L457-A471 PolarHBondContact N-O 2.94Å; L457-Y508 HydrophobicContact CD2-CD1 3.58Å; L457-Y508 HydrophobicContact CD2-CD2 4.2Å; L457-Y508 HydrophobicContact CD2-CE1 3.29Å; L457-Y508 HydrophobicContact CD2-CE2 3.94Å; L457-Y508 HydrophobicContact CD2-CG 4.02Å; L457-Y508 VanDerWaalsContact CD2-CZ 3.48Å
458	Y	79.2	Confident	64.4	Low	29 Å²	29	61.2 Å²	61.2	11%	0.114	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.2	174.3	-54	-102.8	0	0	0	110.6	F445 L446 K456 I467 I468 P469 L722	F445-Y458 CarbonylContact C-O 3.55Å; F445-Y458 WeakPolarHBondContact CA-O 3.35Å; L446-Y458 PolarHBondContact N-O 2.82Å; L446-Y458 PolarHBondContact O-N 2.94Å; K456-Y458 HydrophobicContact CB-CD2 4.2Å; K456-Y458 HydrophobicContact CB-CE2 3.5Å; K456-Y458 VanDerWaalsContact CB-CE2 3.5Å; Y458-I467 HydrophobicContact CD1-CG2 4.03Å; Y458-I467 HydrophobicContact CG-CG2 4.1Å; Y458-I468 CarbonylContact C-O 3.38Å; Y458-I468 VanDerWaalsContact CA-O 3.28Å; Y458-I468 WeakPolarHBondContact CA-O 3.42Å; Y458-P469 HydrophobicContact CD1-CB 3.86Å; Y458-P469 HydrophobicContact CE1-CB 3.91Å; Y458-L722 HydrophobicContact CD1-CD1 4.3Å; Y458-L722 HydrophobicContact CD2-CD1 4.2Å; Y458-L722 HydrophobicContact CD2-CD2 3.83Å; Y458-L722 HydrophobicContact CD2-CG 4.43Å; Y458-L722 HydrophobicContact CE1-CD1 4.05Å; Y458-L722 HydrophobicContact CE2-CD1 3.93Å; Y458-L722 HydrophobicContact CE2-CD2 3.91Å; Y458-L722 HydrophobicContact CE2-CG 4.09Å; Y458-L722 HydrophobicContact CG-CD1 4.38Å
459	L	79.6	Confident	64.7	Low	22 Å²	22	65 Å²	65	12%	0.115	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.6	170.2	176	65.3	0	0	0	109.1	A443 F445 I467 I468 K470	A443-L459 HydrophobicContact CB-CD1 3.67Å; F445-L459 HydrophobicContact CD1-CB 4.27Å; F445-L459 HydrophobicContact CD1-CD1 4.36Å; F445-L459 HydrophobicContact CE1-CB 4Å; F445-L459 HydrophobicContact CE1-CD1 4.04Å; F445-L459 HydrophobicContact CE2-CD1 4.28Å; F445-L459 HydrophobicContact CZ-CD1 4Å; L459-I467 CarbonylContact O-C 3.5Å; L459-I467 WeakPolarHBondContact O-CA 3.42Å; L459-I468 PolarHBondContact N-O 2.78Å; L459-I468 PolarHBondContact O-N 2.86Å; L459-K470 HydrophobicContact CB-CD 4.48Å; L459-K470 HydrophobicContact CB-CG 3.78Å
460	V	74.3	Confident	65.9	Low	8 Å²	8	68.4 Å²	68.4	5%	0.048	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.9	168.9	-173.2	0	0	0	0	108.4	L444 L446 I467 L702 F727	L444-V460 HydrophobicContact CB-CB 3.96Å; L444-V460 HydrophobicContact CB-CG2 4.26Å; L444-V460 PolarHBondContact O-N 2.99Å; L446-V460 HydrophobicContact CD1-CG2 3.51Å; L446-V460 HydrophobicContact CG-CG2 3.75Å; V460-I467 HydrophobicContact CG1-CG1 4.47Å; V460-I467 HydrophobicContact CG2-CG1 4.36Å; V460-L702 HydrophobicContact CG1-CD2 3.68Å; V460-F727 HydrophobicContact CG2-CE2 4.5Å
461	D	66.1	Low	67.6	Low	57 Å²	57	63.3 Å²	63.3	31%	0.305	32%	0.319	S	S	.	.			trans	-84.9	117.7	169.1	-175	-5.2	0	0	0	109.3	K463 A464 K465 E466 I468	D461-K463 PolarHBondContact OD1-N 3.46Å; D461-A464 HydrophobicContact CB-CB 4.16Å; D461-A464 PolarHBondContact OD1-N 2.87Å; D461-A464 WeakPolarHBondContact OD2-CB 3.42Å; D461-K465 CarbonylContact O-C 3.44Å; D461-K465 WeakPolarHBondContact O-CA 3.39Å; D461-K465 PolarHBondContact O-N 3.4Å; D461-E466 PolarHBondContact N-O 2.87Å; D461-E466 PolarHBondContact O-N 2.84Å; D461-I468 HydrophobicContact CB-CD1 4.2Å
462	Q	61.8	Low	69	Low	81 Å²	81	64.2 Å²	64.2	38%	0.379	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-28.5	178.8	-57.3	-167.7	24	0	0	112.7	L444 Y688	L444-Q462 HydrophobicContact CD1-CG 4.42Å; Q462-Y688 PolarHBondContact OE1-OH 3.33Å
463	K	55.8	Low	70.6	Confident	151 Å²	151	57.5 Å²	57.5	66%	0.657	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-52.8	-179.5	-68.8	-171.2	171.9	-169.5	0	110.5	E350 D461 K465	E350-K463 WeakPolarHBondContact OE2-CE 3.45Å; E350-K463 IonicContact OE2-NZ 3.78Å; E350-K463 PolarHBondContact OE2-NZ 3.21Å; D461-K463 PolarHBondContact OD1-N 3.46Å; K463-K465 VanDerWaalsContact C-N 3.26Å; K463-K465 PolarHBondContact O-N 2.83Å
464	A	48.2	Very low	71.6	Confident	52 Å²	52	57 Å²	57	43%	0.43	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.4	175.3	0	0	0	0	0	113.4	D461 E466	D461-A464 HydrophobicContact CB-CB 4.16Å; D461-A464 PolarHBondContact OD1-N 2.87Å; D461-A464 WeakPolarHBondContact OD2-CB 3.42Å; A464-E466 HydrophobicContact CB-CB 4.02Å; A464-E466 HydrophobicContact CB-CG 3.96Å; A464-E466 PolarHBondContact O-N 2.84Å
465	K	65.8	Low	72.3	Confident	120 Å²	120	59.2 Å²	59.2	52%	0.522	31%	0.307	S	S	.	.			trans	59.1	24.7	-166.6	-56.7	178.9	-179.4	175.4	0	113.1	D461 K463 I715 T716	D461-K465 CarbonylContact O-C 3.44Å; D461-K465 WeakPolarHBondContact O-CA 3.39Å; D461-K465 PolarHBondContact O-N 3.4Å; K463-K465 VanDerWaalsContact C-N 3.26Å; K463-K465 PolarHBondContact O-N 2.83Å; K465-I715 HydrophobicContact CB-CG2 4.46Å; K465-I715 HydrophobicContact CD-CG2 4.46Å; K465-I715 HydrophobicContact CG-CG2 4.15Å; K465-T716 WeakPolarHBondContact O-CB 3.46Å; K465-T716 PolarHBondContact O-OG1 2.84Å
466	E	65.9	Low	72.5	Confident	123 Å²	123	59.2 Å²	59.2	58%	0.575	31%	0.31	S	S	*	.			trans	-103.8	164.7	-177.7	-68.1	-167.5	166	0	0	112.3	D461 A464	D461-E466 PolarHBondContact N-O 2.87Å; D461-E466 PolarHBondContact O-N 2.84Å; A464-E466 HydrophobicContact CB-CB 4.02Å; A464-E466 HydrophobicContact CB-CG 3.96Å; A464-E466 PolarHBondContact O-N 2.84Å
467	I	73.3	Confident	72.6	Confident	29 Å²	29	56.3 Å²	56.3	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	105.6	-179.9	-61.9	172.4	0	0	0	107.8	L446 Y458 L459 V460 T716 V718	L446-I467 HydrophobicContact CD1-CD1 4.04Å; L446-I467 HydrophobicContact CD1-CG1 4.46Å; L446-I467 HydrophobicContact CD1-CG2 4.06Å; Y458-I467 HydrophobicContact CD1-CG2 4.03Å; Y458-I467 HydrophobicContact CG-CG2 4.1Å; L459-I467 CarbonylContact O-C 3.5Å; L459-I467 WeakPolarHBondContact O-CA 3.42Å; V460-I467 HydrophobicContact CG1-CG1 4.47Å; V460-I467 HydrophobicContact CG2-CG1 4.36Å; I467-T716 HydrophobicContact CD1-CG2 4.33Å; I467-V718 HydrophobicContact CD1-CB 4.17Å; I467-V718 HydrophobicContact CD1-CG1 3.67Å
468	I	75.5	Confident	72.4	Confident	67 Å²	67	60 Å²	60	34%	0.344	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.2	-169	-54.1	174.2	0	0	0	108.7	Y458 L459 D461	Y458-I468 CarbonylContact C-O 3.38Å; Y458-I468 VanDerWaalsContact CA-O 3.28Å; Y458-I468 WeakPolarHBondContact CA-O 3.42Å; L459-I468 PolarHBondContact N-O 2.78Å; L459-I468 PolarHBondContact O-N 2.86Å; D461-I468 HydrophobicContact CB-CD1 4.2Å
469	P	76.1	Confident	72.3	Confident	80 Å²	80	62.4 Å²	62.4	52%	0.519	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.9	171.6	28.7	-33	0	0	0	110	Y458	Y458-P469 HydrophobicContact CD1-CB 3.86Å; Y458-P469 HydrophobicContact CE1-CB 3.91Å
470	K	77.1	Confident	72.6	Confident	74 Å²	74	61.8 Å²	61.8	32%	0.322	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-56.1	-176.8	-72.4	-69.7	-73.2	164.4	0	113.8	F445 L457 L459 E513	F445-K470 HydrophobicContact CE1-CG 4.48Å; L457-K470 HydrophobicContact CD2-CB 4.39Å; L457-K470 PolarHBondContact O-N 3Å; L459-K470 HydrophobicContact CB-CD 4.48Å; L459-K470 HydrophobicContact CB-CG 3.78Å; K470-E513 VanDerWaalsContact CE-OE1 3.31Å; K470-E513 WeakPolarHBondContact CE-OE1 3.45Å; K470-E513 WeakPolarHBondContact CE-OE2 3.48Å; K470-E513 IonicContact NZ-OE1 3.73Å; K470-E513 PolarHBondContact NZ-OE1 3Å; K470-E513 IonicContact NZ-OE2 2.59Å; K470-E513 PolarHBondContact NZ-OE2 3.32Å
471	A	80.6	Confident	73.2	Confident	19 Å²	19	62.2 Å²	62.2	16%	0.157	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.8	-174.5	0	0	0	0	0	111.9	L457 Y508	L457-A471 HydrophobicContact CB-CB 4.48Å; L457-A471 WeakPolarHBondContact CB-O 3.38Å; L457-A471 HydrophobicContact CD2-CB 4.36Å; L457-A471 PolarHBondContact N-O 2.94Å; A471-Y508 HydrophobicContact CB-CE2 3.8Å
472	D	81.1	Confident	74.4	Confident	108 Å²	108	60 Å²	60	58%	0.578	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.7	171.4	-63.2	-38.9	0	0	0	110.1	D455 K456 P474 W515	D455-D472 CarbonylContact O-C 3.49Å; D455-D472 VanDerWaalsContact O-CA 3.26Å; D455-D472 WeakPolarHBondContact O-CA 3.46Å; K456-D472 WeakPolarHBondContact CE-OD1 3.37Å; K456-D472 VanDerWaalsContact CG-OD1 3.3Å; K456-D472 WeakPolarHBondContact CG-OD1 3.49Å; D472-P474 WeakPolarHBondContact O-CD 3.22Å; D472-W515 PolarHBondContact O-NE1 2.9Å
473	I	80.6	Confident	75.7	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.046	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-80	121.5	-178.9	-61.3	174.5	0	0	0	109.3	L447 D455 S475 I491 W515	L447-I473 HydrophobicContact CD2-CD1 4.1Å; D455-I473 PolarHBondContact O-N 2.94Å; I473-S475 PolarHBondContact O-N 3.22Å; I473-I491 HydrophobicContact CD1-CD1 4.33Å; I473-I491 HydrophobicContact CG1-CD1 4.47Å; I473-I491 HydrophobicContact CG2-CD1 3.65Å; I473-W515 HydrophobicContact CB-CZ2 4.47Å; I473-W515 HydrophobicContact CG1-CH2 4.38Å; I473-W515 HydrophobicContact CG1-CZ2 3.96Å
474	P	75.3	Confident	77.1	Confident	35 Å²	35	50.6 Å²	50.6	23%	0.227	28%	0.279	C	S	.	.	S	Bend	trans	-62.5	129	175.3	-22.3	33.4	0	0	0	111.9	D472 W506 W515	D472-P474 WeakPolarHBondContact O-CD 3.22Å; P474-W506 HydrophobicContact CB-CD2 3.84Å; P474-W506 HydrophobicContact CB-CE3 3.88Å; P474-W506 HydrophobicContact CB-CH2 3.74Å; P474-W506 HydrophobicContact CB-CZ2 3.69Å; P474-W506 HydrophobicContact CB-CZ3 3.83Å; P474-W506 HydrophobicContact CG-CD2 4.28Å; P474-W506 HydrophobicContact CG-CE3 4Å; P474-W506 HydrophobicContact CG-CZ3 4.12Å; P474-W506 PolarHBondContact O-NE1 2.81Å; P474-W515 VanDerWaalsContact CD-CD2 3.43Å; P474-W515 HydrophobicContact CG-CB 3.66Å; P474-W515 HydrophobicContact CG-CD2 3.97Å; P474-W515 HydrophobicContact CG-CE3 4.47Å; P474-W515 HydrophobicContact CG-CG 3.61Å
475	S	76.1	Confident	78.7	Confident	52 Å²	52	49.1 Å²	49.1	36%	0.364	26%	0.263	S	S	.	.	S	Bend	trans	58.4	76.8	-176.7	-171.1	0	0	0	0	113.4	I473 R477	I473-S475 PolarHBondContact O-N 3.22Å; S475-R477 WeakPolarHBondContact O-CD 3.49Å; S475-R477 VanDerWaalsContact O-CG 3.28Å; S475-R477 WeakPolarHBondContact O-CG 3.44Å; S475-R477 PolarHBondContact O-N 3.11Å; S475-R477 PolarHBondContact O-NE 2.94Å; S475-R477 PolarHBondContact OG-NE 2.99Å; S475-R477 VanDerWaalsContact OG-NE 3.1Å; S475-R477 PolarHBondContact OG-NH2 2.98Å
476	P	73.7	Confident	79	Confident	53 Å²	53	45.4 Å²	45.4	34%	0.344	26%	0.259	S	S	.	.			trans	-52.9	132.3	179.3	-29.8	37.4	0	0	0	114.2	M453 C454 D455	M453-P476 HydrophobicContact CB-CB 3.86Å; M453-P476 HydrophobicContact CG-CB 4.3Å; C454-P476 VanDerWaalsContact O-CA 3.23Å; C454-P476 WeakPolarHBondContact O-CA 3.31Å; C454-P476 VanDerWaalsContact O-CB 3.27Å; C454-P476 WeakPolarHBondContact O-CB 3.48Å; D455-P476 HydrophobicContact CB-CB 4.49Å; D455-P476 HydrophobicContact CB-CG 4.18Å
477	R	77.3	Confident	79.3	Confident	14 Å²	14	41.6 Å²	41.6	5%	0.053	25%	0.245	C	C	.	.			trans	-140.4	165.1	-171.3	-74	143.8	-167.9	-125.1	-2.8	113.1	C454 S475 F480 G493 S502 D504	C454-R477 VanDerWaalsContact CB-O 3.3Å; C454-R477 WeakPolarHBondContact CB-O 3.05Å; C454-R477 PolarHBondContact N-O 3.36Å; S475-R477 WeakPolarHBondContact O-CD 3.49Å; S475-R477 VanDerWaalsContact O-CG 3.28Å; S475-R477 WeakPolarHBondContact O-CG 3.44Å; S475-R477 PolarHBondContact O-N 3.11Å; S475-R477 PolarHBondContact O-NE 2.94Å; S475-R477 PolarHBondContact OG-NE 2.99Å; S475-R477 VanDerWaalsContact OG-NE 3.1Å; S475-R477 PolarHBondContact OG-NH2 2.98Å; R477-F480 HydrophobicContact CB-CD1 4.04Å; R477-G493 WeakPolarHBondContact CD-O 3.29Å; R477-G493 PolarHBondContact NH1-O 3.21Å; R477-S502 PolarHBondContact NH1-OG 2.94Å; R477-S502 PolarHBondContact NH2-OG 3.5Å; R477-D504 IonicContact CZ-OD2 2.77Å; R477-D504 IonicContact NH1-OD2 2.99Å; R477-D504 IonicContact NH2-OD2 3.66Å; R477-D504 PolarHBondContact NH2-OD2 2.84Å
478	K	76.6	Confident	79.7	Confident	76 Å²	76	43.3 Å²	43.3	33%	0.33	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-110.7	154.1	167.5	-79.2	167.3	157.5	151	0	111.2	F452 F480 G494 R495	F452-K478 WeakPolarHBondContact O-CD 3.35Å; F452-K478 WeakPolarHBondContact O-CE 3.49Å; F452-K478 PolarHBondContact O-NZ 2.84Å; K478-F480 PolarHBondContact O-N 2.82Å; K478-G494 CarbonylContact O-C 3.5Å; K478-G494 WeakPolarHBondContact O-CA 3.2Å; K478-R495 PolarHBondContact N-O 2.9Å; K478-R495 PolarHBondContact O-N 2.98Å
479	E	78.6	Confident	80.3	Confident	81 Å²	81	40.1 Å²	40.1	38%	0.379	24%	0.235	S	C	.	.	S	Bend	trans	51.2	34.5	171.9	-61.6	175.7	-145.1	0	0	113.2	F526 G527	E479-F526 HydrophobicContact CB-CB 4.4Å; E479-F526 HydrophobicContact CB-CD2 4.31Å; E479-F526 VanDerWaalsContact OE2-CD2 3.28Å; E479-F526 WeakPolarHBondContact OE2-CD2 3.08Å; E479-G527 PolarHBondContact O-N 3.24Å
480	F	85.3	Confident	80.9	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.035	21%	0.214	C	C	.	.			trans	-78.9	161.7	164	65.1	-95.8	0	0	0	109.3	L447 C454 R477 K478 A482 I491 T492 T725 A726	L447-F480 HydrophobicContact CB-CE2 4.13Å; L447-F480 HydrophobicContact CB-CZ 4.05Å; C454-F480 HydrophobicContact CB-CE1 3.79Å; C454-F480 HydrophobicContact CB-CZ 4.4Å; R477-F480 HydrophobicContact CB-CD1 4.04Å; K478-F480 PolarHBondContact O-N 2.82Å; F480-A482 HydrophobicContact CD2-CB 4.47Å; F480-A482 HydrophobicContact CE2-CB 4.31Å; F480-I491 HydrophobicContact CB-CG2 4.2Å; F480-I491 HydrophobicContact CD2-CG1 4.46Å; F480-I491 HydrophobicContact CD2-CG2 3.7Å; F480-I491 HydrophobicContact CE2-CD1 4.32Å; F480-I491 HydrophobicContact CE2-CG1 4.28Å; F480-I491 HydrophobicContact CE2-CG2 4.25Å; F480-I491 HydrophobicContact CG-CG2 4.01Å; F480-T492 WeakPolarHBondContact CB-O 3.18Å; F480-T725 HydrophobicContact CD1-CG2 3.55Å; F480-T725 HydrophobicContact CD2-CG2 4.19Å; F480-T725 HydrophobicContact CE1-CG2 3.52Å; F480-T725 HydrophobicContact CE2-CG2 4.18Å; F480-T725 HydrophobicContact CG-CG2 3.9Å; F480-T725 HydrophobicContact CZ-CG2 3.86Å; F480-T725 WeakPolarHBondContact O-CG2 3.37Å; F480-A726 HydrophobicContact CE2-CB 4.06Å
481	S	87.6	Confident	81.6	Confident	17 Å²	17	33.7 Å²	33.7	12%	0.119	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.8	170.1	-155.6	0	0	0	0	109.4	T492 H528 S530	S481-T492 PolarHBondContact N-O 2.84Å; S481-T492 PolarHBondContact O-N 3.04Å; S481-T492 PolarHBondContact O-OG1 2.89Å; S481-H528 VanDerWaalsContact CB-CD2 3.45Å; S481-H528 WeakPolarHBondContact CB-CD2 2.93Å; S481-H528 VanDerWaalsContact CB-NE2 3.35Å; S481-H528 WeakPolarHBondContact CB-NE2 3.19Å; S481-H528 WeakPolarHBondContact CB-O 3.4Å; S481-H528 PolarHBondContact OG-O 3.41Å; S481-S530 WeakPolarHBondContact CB-OG 3.37Å; S481-S530 WeakPolarHBondContact OG-CB 3.45Å; S481-S530 PolarHBondContact OG-N 2.62Å; S481-S530 VanDerWaalsContact OG-N 3.09Å; S481-S530 PolarHBondContact OG-OG 2.97Å
482	A	89.4	Confident	82.1	Confident	12 Å²	12	32.8 Å²	32.8	10%	0.099	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.7	174.5	0	0	0	0	0	112	L447 F480 Y490 I491 A726 V728	L447-A482 HydrophobicContact CD1-CB 3.58Å; F480-A482 HydrophobicContact CD2-CB 4.47Å; F480-A482 HydrophobicContact CE2-CB 4.31Å; A482-Y490 CarbonylContact C-O 3.54Å; A482-Y490 WeakPolarHBondContact CA-O 3.15Å; A482-Y490 WeakPolarHBondContact CB-O 3.41Å; A482-I491 HydrophobicContact CB-CG1 4.29Å; A482-A726 HydrophobicContact CB-CB 3.56Å; A482-V728 HydrophobicContact CB-CG1 4.08Å
483	C	90.1	Very high	82.4	Confident	14 Å²	14	27.7 Å²	27.7	10%	0.095	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	144	-177.6	-169.6	0	0	0	0	109.7	Y490 E532 L537	C483-Y490 PolarHBondContact N-O 2.87Å; C483-Y490 PolarHBondContact O-N 2.82Å; C483-E532 PolarHBondContact SG-N 3.42Å; C483-L537 HydrophobicContact CB-CD1 3.47Å; C483-L537 VanDerWaalsContact CB-CD1 3.47Å
484	A	85.3	Confident	82.6	Confident	20 Å²	20	27.2 Å²	27.2	17%	0.165	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137	175.6	0	0	0	0	0	110.5	K488 V489 V728 S729	A484-K488 CarbonylContact C-O 3.51Å; A484-K488 WeakPolarHBondContact CA-O 3.46Å; A484-V489 HydrophobicContact CB-CG2 4.41Å; A484-V728 HydrophobicContact CB-CB 4.38Å; A484-S729 VanDerWaalsContact CB-O 3.29Å; A484-S729 WeakPolarHBondContact CB-O 3.42Å
485	I	80.8	Confident	82.8	Confident	20 Å²	20	31.9 Å²	31.9	10%	0.103	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	112.8	170.8	-50.3	-172.9	0	0	0	107.3	C487 K488 Y490 E532 H535 L537 P566	I485-C487 PolarHBondContact O-N 2.86Å; I485-K488 PolarHBondContact N-O 3.36Å; I485-K488 PolarHBondContact O-N 2.86Å; I485-K488 VanDerWaalsContact O-N 3.12Å; I485-Y490 HydrophobicContact CB-CD2 4.34Å; I485-Y490 HydrophobicContact CB-CE2 3.87Å; I485-Y490 HydrophobicContact CD1-CD2 4.47Å; I485-Y490 HydrophobicContact CD1-CE2 4.38Å; I485-Y490 HydrophobicContact CG1-CD2 4.14Å; I485-Y490 HydrophobicContact CG1-CE2 4.1Å; I485-E532 HydrophobicContact CB-CG 4.45Å; I485-E532 HydrophobicContact CD1-CB 4.47Å; I485-E532 HydrophobicContact CD1-CG 4.12Å; I485-E532 HydrophobicContact CG1-CB 4.11Å; I485-E532 HydrophobicContact CG1-CG 3.8Å; I485-E532 HydrophobicContact CG2-CG 4.23Å; I485-H535 HydrophobicContact CG2-CB 4.42Å; I485-L537 HydrophobicContact CD1-CB 3.81Å; I485-P566 HydrophobicContact CD1-CG 4.25Å
486	G	72.3	Confident	82.5	Confident	42 Å²	42	30.3 Å²	30.3	43%	0.433	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-133	-170.6	0	0	0	0	0	111	K488 T730	G486-K488 VanDerWaalsContact C-N 3.27Å; G486-K488 PolarHBondContact O-N 3.4Å; G486-T730 PolarHBondContact O-OG1 2.76Å
487	C	73.6	Confident	82	Confident	43 Å²	43	32.2 Å²	32.2	29%	0.291	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	16.1	176.4	-53	0	0	0	0	113.6	I485 T510 V511	I485-C487 PolarHBondContact O-N 2.86Å; C487-T510 WeakPolarHBondContact O-CG2 3.33Å; C487-T510 PolarHBondContact O-N 3.06Å; C487-T510 PolarHBondContact O-OG1 2.92Å; C487-V511 HydrophobicContact CB-CG2 4.1Å
488	K	80.1	Confident	81	Confident	65 Å²	65	39.8 Å²	39.8	28%	0.283	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.9	-175.9	-62.9	-167.4	179.4	-160.2	0	111.8	A484 I485 G486 Y490 V507 Y508 D509	A484-K488 CarbonylContact C-O 3.51Å; A484-K488 WeakPolarHBondContact CA-O 3.46Å; I485-K488 PolarHBondContact N-O 3.36Å; I485-K488 PolarHBondContact O-N 2.86Å; I485-K488 VanDerWaalsContact O-N 3.12Å; G486-K488 VanDerWaalsContact C-N 3.27Å; G486-K488 PolarHBondContact O-N 3.4Å; K488-Y490 HydrophobicContact CB-CD2 4.49Å; K488-Y490 HydrophobicContact CB-CE2 3.67Å; K488-V507 HydrophobicContact CB-CG1 3.93Å; K488-V507 HydrophobicContact CD-CG1 4.15Å; K488-V507 HydrophobicContact CG-CG1 4.46Å; K488-Y508 WeakPolarHBondContact CA-O 3.47Å; K488-D509 WeakPolarHBondContact CE-OD2 3.48Å; K488-D509 IonicContact NZ-OD2 3.91Å; K488-D509 PolarHBondContact NZ-OD2 2.97Å; K488-D509 VanDerWaalsContact NZ-OD2 3.15Å
489	V	88.6	Confident	80.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.1	178.9	175.9	0	0	0	0	109.3	L447 A484 V507 Y508 T510 V728 T730	L447-V489 HydrophobicContact CD1-CG1 4.09Å; A484-V489 HydrophobicContact CB-CG2 4.41Å; V489-V507 WeakPolarHBondContact O-CA 3.32Å; V489-Y508 PolarHBondContact N-O 2.84Å; V489-Y508 PolarHBondContact O-N 2.88Å; V489-T510 HydrophobicContact CG2-CG2 4.48Å; V489-V728 HydrophobicContact CG1-CG2 3.88Å; V489-V728 HydrophobicContact CG2-CG2 3.93Å; V489-T730 HydrophobicContact CG2-CG2 4.28Å
490	Y	89.4	Confident	79.7	Confident	18 Å²	18	40.4 Å²	40.4	7%	0.071	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121	-178.2	-63.9	-100.5	0	0	0	109.8	A482 C483 I485 K488 W506 V507 L537 F564	A482-Y490 CarbonylContact C-O 3.54Å; A482-Y490 WeakPolarHBondContact CA-O 3.15Å; A482-Y490 WeakPolarHBondContact CB-O 3.41Å; C483-Y490 PolarHBondContact N-O 2.87Å; C483-Y490 PolarHBondContact O-N 2.82Å; I485-Y490 HydrophobicContact CB-CD2 4.34Å; I485-Y490 HydrophobicContact CB-CE2 3.87Å; I485-Y490 HydrophobicContact CD1-CD2 4.47Å; I485-Y490 HydrophobicContact CD1-CE2 4.38Å; I485-Y490 HydrophobicContact CG1-CD2 4.14Å; I485-Y490 HydrophobicContact CG1-CE2 4.1Å; K488-Y490 HydrophobicContact CB-CD2 4.49Å; K488-Y490 HydrophobicContact CB-CE2 3.67Å; Y490-W506 CarbonylContact C-O 3.53Å; Y490-W506 WeakPolarHBondContact CA-O 3.2Å; Y490-V507 HydrophobicContact CD1-CB 4.34Å; Y490-V507 HydrophobicContact CD1-CG1 4.06Å; Y490-V507 HydrophobicContact CD1-CG2 3.5Å; Y490-V507 HydrophobicContact CE1-CB 4.26Å; Y490-V507 HydrophobicContact CE1-CG1 3.72Å; Y490-V507 HydrophobicContact CE1-CG2 3.49Å; Y490-V507 VanDerWaalsContact CE1-CG2 3.49Å; Y490-V507 HydrophobicContact CE2-CG1 4.24Å; Y490-V507 HydrophobicContact CG-CG1 4.45Å; Y490-V507 HydrophobicContact CG-CG2 4.42Å; Y490-L537 HydrophobicContact CD1-CD2 4.42Å; Y490-L537 HydrophobicContact CG-CD2 4.2Å; Y490-F564 HydrophobicContact CD1-CE1 4.23Å; Y490-F564 AromaticContact CE1-CE1 3.82Å; Y490-F564 HydrophobicContact CE1-CE1 3.82Å
491	I	90.8	Very high	79.6	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	132	167.2	-66.2	-179.5	0	0	0	108.5	L447 I473 F480 A482 V505 W506 W515	L447-I491 HydrophobicContact CD2-CD1 3.89Å; L447-I491 HydrophobicContact CD2-CG1 4.25Å; I473-I491 HydrophobicContact CD1-CD1 4.33Å; I473-I491 HydrophobicContact CG1-CD1 4.47Å; I473-I491 HydrophobicContact CG2-CD1 3.65Å; F480-I491 HydrophobicContact CB-CG2 4.2Å; F480-I491 HydrophobicContact CD2-CG1 4.46Å; F480-I491 HydrophobicContact CD2-CG2 3.7Å; F480-I491 HydrophobicContact CE2-CD1 4.32Å; F480-I491 HydrophobicContact CE2-CG1 4.28Å; F480-I491 HydrophobicContact CE2-CG2 4.25Å; F480-I491 HydrophobicContact CG-CG2 4.01Å; A482-I491 HydrophobicContact CB-CG1 4.29Å; I491-V505 VanDerWaalsContact O-CA 3.31Å; I491-V505 WeakPolarHBondContact O-CA 3.38Å; I491-W506 HydrophobicContact CB-CB 4.32Å; I491-W506 PolarHBondContact N-O 3.05Å; I491-W506 PolarHBondContact O-N 3.38Å; I491-W515 HydrophobicContact CD1-CH2 3.43Å; I491-W515 VanDerWaalsContact CD1-CH2 3.43Å; I491-W515 HydrophobicContact CD1-CZ2 4.49Å; I491-W515 HydrophobicContact CD1-CZ3 3.71Å; I491-W515 HydrophobicContact CG1-CH2 4.16Å; I491-W515 HydrophobicContact CG1-CZ3 4.16Å
492	T	90.8	Very high	79.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.6	-179.9	54.3	0	0	0	0	112.4	F480 S481 V505 M521 H528 L537 V539 W571	F480-T492 WeakPolarHBondContact CB-O 3.18Å; S481-T492 PolarHBondContact N-O 2.84Å; S481-T492 PolarHBondContact O-N 3.04Å; S481-T492 PolarHBondContact O-OG1 2.89Å; T492-V505 HydrophobicContact CG2-CG1 4.18Å; T492-V505 HydrophobicContact CG2-CG2 4.39Å; T492-M521 HydrophobicContact CG2-SD 4.42Å; T492-H528 PolarHBondContact O-CE1 2.99Å; T492-H528 PolarHBondContact O-NE2 2.84Å; T492-H528 VanDerWaalsContact O-NE2 3.15Å; T492-H528 PolarHBondContact OG1-NE2 2.76Å; T492-L537 HydrophobicContact CG2-CD2 3.69Å; T492-V539 HydrophobicContact CG2-CG2 4.06Å; T492-W571 HydrophobicContact CG2-CH2 4.21Å; T492-W571 HydrophobicContact CG2-CZ2 4.4Å
493	G	88.1	Confident	79.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.			trans	65.8	-132.1	166.1	0	0	0	0	0	114.9	R477 S502 D504 M521	R477-G493 WeakPolarHBondContact CD-O 3.29Å; R477-G493 PolarHBondContact NH1-O 3.21Å; G493-S502 WeakPolarHBondContact CA-O 3.47Å; G493-D504 PolarHBondContact N-O 3.4Å; G493-M521 VanDerWaalsContact CA-CE 3.41Å
494	G	85.3	Confident	79.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.262	C	S	.	.			trans	88.7	177.7	-178.1	0	0	0	0	0	114	K478 S502 R525	K478-G494 CarbonylContact O-C 3.5Å; K478-G494 WeakPolarHBondContact O-CA 3.2Å; G494-S502 PolarHBondContact O-N 3.22Å; G494-R525 PolarHBondContact N-O 3.1Å
495	R	79.1	Confident	79.7	Confident	133 Å²	133	45.8 Å²	45.8	50%	0.502	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-118.4	127.5	-177.8	-176.4	175.6	176.9	-179.8	0.2	111	K478 G500 F526	K478-R495 PolarHBondContact N-O 2.9Å; K478-R495 PolarHBondContact O-N 2.98Å; R495-G500 WeakPolarHBondContact CA-O 3.42Å; R495-F526 HydrophobicContact CB-CB 4.09Å; R495-F526 HydrophobicContact CB-CD2 4.49Å; R495-F526 HydrophobicContact CB-CG 4.18Å
496	G	70.9	Confident	80.1	Confident	19 Å²	19	47 Å²	47	20%	0.196	26%	0.258	C	S	.	.			trans	-91.4	173.9	171.5	0	0	0	0	0	112.6	G500	G496-G500 PolarHBondContact N-O 3.07Å
497	S	62.4	Low	81	Confident	93 Å²	93	45.4 Å²	45.4	65%	0.65	24%	0.239	S	C	*	.	S	Bend	trans	-72.7	-45.1	171.8	41	0	0	0	0	111.4	M453	M453-S497 VanDerWaalsContact CE-CB 3.46Å; M453-S497 WeakPolarHBondContact CE-OG 3.36Å
498	E	56.8	Low	81.6	Confident	172 Å²	172	43.4 Å²	43.4	80%	0.804	23%	0.226	S	C	*	.	S	Bend	trans	-102	-41.8	-170	-67.7	166.1	-171.1	0	0	112.3	G500	E498-G500 PolarHBondContact O-N 3.15Å
499	N	56.7	Low	81.5	Confident	136 Å²	136	41.2 Å²	41.2	73%	0.727	22%	0.217	S	C	*	.	S	Bend	trans	-92.3	14.7	-169.7	-67.5	-14.6	0	0	0	115.1
500	G	71	Confident	80.7	Confident	34 Å²	34	41.5 Å²	41.5	35%	0.351	22%	0.219	S	C	.	.			trans	62.3	-138.4	-179.9	0	0	0	0	0	113.7	R495 G496 E498	R495-G500 WeakPolarHBondContact CA-O 3.42Å; G496-G500 PolarHBondContact N-O 3.07Å; E498-G500 PolarHBondContact O-N 3.15Å
501	V	82	Confident	79.6	Confident	27 Å²	27	42.6 Å²	42.6	16%	0.164	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-91.6	132.6	179.1	-174.6	0	0	0	0	109.3	A524 R525 F526 A545	V501-A524 VanDerWaalsContact CG1-C 3.49Å; V501-A524 HydrophobicContact CG1-CB 4.13Å; V501-R525 VanDerWaalsContact CG1-C 3.49Å; V501-R525 VanDerWaalsContact CG1-CA 3.43Å; V501-R525 VanDerWaalsContact CG1-N 3.3Å; V501-F526 HydrophobicContact CB-CD1 4.26Å; V501-F526 HydrophobicContact CG1-CB 4.43Å; V501-F526 HydrophobicContact CG1-CD1 3.74Å; V501-F526 HydrophobicContact CG2-CD1 3.46Å; V501-F526 VanDerWaalsContact CG2-CD1 3.46Å; V501-F526 HydrophobicContact CG2-CE1 3.65Å; V501-A545 HydrophobicContact CG2-CB 3.85Å
502	S	85.1	Confident	78.4	Confident	16 Å²	16	48.3 Å²	48.3	11%	0.112	25%	0.254	C	S	.	.			trans	-108.9	157	-174.7	179.6	0	0	0	0	114.2	R477 G493 G494 D504 A524 R525	R477-S502 PolarHBondContact NH1-OG 2.94Å; R477-S502 PolarHBondContact NH2-OG 3.5Å; G493-S502 WeakPolarHBondContact CA-O 3.47Å; G494-S502 PolarHBondContact O-N 3.22Å; S502-D504 PolarHBondContact OG-N 2.68Å; S502-D504 PolarHBondContact OG-OD2 2.75Å; S502-A524 WeakPolarHBondContact O-CA 3.44Å; S502-R525 PolarHBondContact O-N 2.85Å; S502-R525 VanDerWaalsContact O-N 3.16Å
503	K	89.2	Confident	77.8	Confident	107 Å²	107	51.8 Å²	51.8	47%	0.465	27%	0.27	S	S	.	.			trans	-108.2	-1.7	171.2	63.2	174.7	-176.7	176.1	0	113.8	P520 M521 A524	K503-P520 HydrophobicContact CB-CB 4.47Å; K503-P520 HydrophobicContact CD-CB 4.04Å; K503-P520 HydrophobicContact CG-CB 3.96Å; K503-P520 CarbonylContact O-C 3.59Å; K503-P520 WeakPolarHBondContact O-CA 3.21Å; K503-P520 WeakPolarHBondContact O-CB 3.44Å; K503-M521 HydrophobicContact CB-CB 4.3Å; K503-M521 PolarHBondContact O-N 3.01Å; K503-A524 HydrophobicContact CB-CB 4.09Å
504	D	89.3	Confident	77.4	Confident	34 Å²	34	58.5 Å²	58.5	18%	0.182	30%	0.301	C	S	.	.			trans	-65.2	150.8	-176.7	-57	-64.5	0	0	0	111.8	R477 G493 S502 K517	R477-D504 IonicContact CZ-OD2 2.77Å; R477-D504 IonicContact NH1-OD2 2.99Å; R477-D504 IonicContact NH2-OD2 3.66Å; R477-D504 PolarHBondContact NH2-OD2 2.84Å; G493-D504 PolarHBondContact N-O 3.4Å; S502-D504 PolarHBondContact OG-N 2.68Å; S502-D504 PolarHBondContact OG-OD2 2.75Å; D504-K517 WeakPolarHBondContact OD1-CE 3.44Å; D504-K517 IonicContact OD1-NZ 3.91Å; D504-K517 PolarHBondContact OD1-NZ 3.28Å
505	V	90.9	Very high	77.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.8	176.7	-174.6	0	0	0	0	107.8	I491 T492 A518 A519 M521 W571	I491-V505 VanDerWaalsContact O-CA 3.31Å; I491-V505 WeakPolarHBondContact O-CA 3.38Å; T492-V505 HydrophobicContact CG2-CG1 4.18Å; T492-V505 HydrophobicContact CG2-CG2 4.39Å; V505-A518 HydrophobicContact CB-CB 4.1Å; V505-A518 HydrophobicContact CG1-CB 3.9Å; V505-A518 PolarHBondContact O-N 2.73Å; V505-A519 WeakPolarHBondContact CG2-O 3.29Å; V505-M521 HydrophobicContact CG2-CG 3.78Å; V505-W571 HydrophobicContact CG1-CZ2 4.45Å; V505-W571 HydrophobicContact CG2-CZ2 3.65Å
506	W	90.6	Very high	77.9	Confident	46 Å²	46	57.3 Å²	57.3	17%	0.174	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.3	177.7	-68.5	104.5	0	0	0	109.6	P474 Y490 I491 W515 K517	P474-W506 HydrophobicContact CB-CD2 3.84Å; P474-W506 HydrophobicContact CB-CE3 3.88Å; P474-W506 HydrophobicContact CB-CH2 3.74Å; P474-W506 HydrophobicContact CB-CZ2 3.69Å; P474-W506 HydrophobicContact CB-CZ3 3.83Å; P474-W506 HydrophobicContact CG-CD2 4.28Å; P474-W506 HydrophobicContact CG-CE3 4Å; P474-W506 HydrophobicContact CG-CZ3 4.12Å; P474-W506 PolarHBondContact O-NE1 2.81Å; Y490-W506 CarbonylContact C-O 3.53Å; Y490-W506 WeakPolarHBondContact CA-O 3.2Å; I491-W506 HydrophobicContact CB-CB 4.32Å; I491-W506 PolarHBondContact N-O 3.05Å; I491-W506 PolarHBondContact O-N 3.38Å; W506-W515 HydrophobicContact CB-CE3 3.95Å; W506-W515 HydrophobicContact CB-CZ3 4.01Å; W506-K517 HydrophobicContact CE3-CB 4.03Å; W506-K517 HydrophobicContact CE3-CG 4.36Å; W506-K517 HydrophobicContact CH2-CB 4.37Å; W506-K517 HydrophobicContact CH2-CD 4.21Å; W506-K517 HydrophobicContact CH2-CG 4.5Å; W506-K517 HydrophobicContact CZ2-CD 4.32Å; W506-K517 HydrophobicContact CZ3-CB 3.85Å; W506-K517 HydrophobicContact CZ3-CG 4.33Å
507	V	90.3	Very high	78.8	Confident	8 Å²	8	61.9 Å²	61.9	5%	0.048	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.5	-178.4	-168.3	0	0	0	0	108.3	K488 V489 Y490 S516 A518	K488-V507 HydrophobicContact CB-CG1 3.93Å; K488-V507 HydrophobicContact CD-CG1 4.15Å; K488-V507 HydrophobicContact CG-CG1 4.46Å; V489-V507 WeakPolarHBondContact O-CA 3.32Å; Y490-V507 HydrophobicContact CD1-CB 4.34Å; Y490-V507 HydrophobicContact CD1-CG1 4.06Å; Y490-V507 HydrophobicContact CD1-CG2 3.5Å; Y490-V507 HydrophobicContact CE1-CB 4.26Å; Y490-V507 HydrophobicContact CE1-CG1 3.72Å; Y490-V507 HydrophobicContact CE1-CG2 3.49Å; Y490-V507 VanDerWaalsContact CE1-CG2 3.49Å; Y490-V507 HydrophobicContact CE2-CG1 4.24Å; Y490-V507 HydrophobicContact CG-CG1 4.45Å; Y490-V507 HydrophobicContact CG-CG2 4.42Å; V507-S516 PolarHBondContact N-O 2.75Å; V507-S516 PolarHBondContact O-N 2.73Å; V507-S516 PolarHBondContact O-OG 2.86Å; V507-A518 HydrophobicContact CG2-CB 3.68Å
508	Y	87.3	Confident	80.2	Confident	2 Å²	2	58 Å²	58	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.2	168.6	-173.9	-111.9	0	0	0	109	F445 L457 A471 K488 V489 T510 E513 E514 W515	F445-Y508 HydrophobicContact CE1-CE1 4.43Å; F445-Y508 HydrophobicContact CZ-CE1 4.41Å; L457-Y508 HydrophobicContact CD2-CD1 3.58Å; L457-Y508 HydrophobicContact CD2-CD2 4.2Å; L457-Y508 HydrophobicContact CD2-CE1 3.29Å; L457-Y508 HydrophobicContact CD2-CE2 3.94Å; L457-Y508 HydrophobicContact CD2-CG 4.02Å; L457-Y508 VanDerWaalsContact CD2-CZ 3.48Å; A471-Y508 HydrophobicContact CB-CE2 3.8Å; K488-Y508 WeakPolarHBondContact CA-O 3.47Å; V489-Y508 PolarHBondContact N-O 2.84Å; V489-Y508 PolarHBondContact O-N 2.88Å; Y508-T510 HydrophobicContact CD1-CG2 4.02Å; Y508-T510 HydrophobicContact CE1-CG2 4.13Å; Y508-E513 VanDerWaalsContact CE2-C 3.47Å; Y508-E513 VanDerWaalsContact CE2-O 3.22Å; Y508-E513 WeakPolarHBondContact CE2-O 3.44Å; Y508-E513 WeakPolarHBondContact OH-CA 3.25Å; Y508-E513 WeakPolarHBondContact OH-CB 3.34Å; Y508-E514 WeakPolarHBondContact CA-O 3.23Å; Y508-W515 AromaticContact CD2-CD1 3.92Å; Y508-W515 AromaticContact CD2-CD2 3.8Å; Y508-W515 HydrophobicContact CD2-CD2 3.8Å; Y508-W515 AromaticContact CD2-CE2 3.53Å; Y508-W515 HydrophobicContact CD2-CE3 4.43Å; Y508-W515 HydrophobicContact CD2-CG 4.04Å; Y508-W515 AromaticContact CD2-CZ2 3.94Å; Y508-W515 HydrophobicContact CD2-CZ2 3.94Å; Y508-W515 AromaticContact CD2-NE1 3.63Å; Y508-W515 HydrophobicContact CG-CD2 4.37Å; Y508-W515 HydrophobicContact CG-CH2 4.34Å; Y508-W515 HydrophobicContact CG-CZ2 4.13Å
509	D	77.4	Confident	81.7	Confident	18 Å²	18	51 Å²	51	10%	0.096	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.1	172.5	-162.6	-19.9	0	0	0	109.3	K488 V511 H512 E513 E514	K488-D509 WeakPolarHBondContact CE-OD2 3.48Å; K488-D509 IonicContact NZ-OD2 3.91Å; K488-D509 PolarHBondContact NZ-OD2 2.97Å; K488-D509 VanDerWaalsContact NZ-OD2 3.15Å; D509-V511 PolarHBondContact O-N 3.12Å; D509-V511 VanDerWaalsContact OD1-CB 3.28Å; D509-V511 WeakPolarHBondContact OD1-CB 3.22Å; D509-V511 WeakPolarHBondContact OD1-CG2 3.37Å; D509-V511 PolarHBondContact OD1-N 3.26Å; D509-H512 IonicContact OD1-ND1 2.69Å; D509-H512 IonicContact OD2-CE1 3.84Å; D509-H512 IonicContact OD2-ND1 3.68Å; D509-H512 PolarHBondContact OD2-ND1 2.85Å; D509-E513 VanDerWaalsContact O-CA 3.29Å; D509-E513 WeakPolarHBondContact O-CA 3.42Å; D509-E513 PolarHBondContact O-N 3.49Å; D509-E514 PolarHBondContact N-O 3.09Å
510	T	72.3	Confident	83.4	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.037	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.9	178.7	69.5	0	0	0	0	112.8	F445 C487 V489 Y508 T730 W731	F445-T510 HydrophobicContact CE2-CG2 3.71Å; F445-T510 HydrophobicContact CZ-CG2 4.03Å; C487-T510 WeakPolarHBondContact O-CG2 3.33Å; C487-T510 PolarHBondContact O-N 3.06Å; C487-T510 PolarHBondContact O-OG1 2.92Å; V489-T510 HydrophobicContact CG2-CG2 4.48Å; Y508-T510 HydrophobicContact CD1-CG2 4.02Å; Y508-T510 HydrophobicContact CE1-CG2 4.13Å; T510-T730 HydrophobicContact CG2-CG2 3.89Å; T510-W731 PolarHBondContact OG1-O 3.29Å
511	V	65.9	Low	84.4	Confident	42 Å²	42	45.7 Å²	45.7	26%	0.255	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-49.6	174.6	176.7	0	0	0	0	111.2	C487 D509 H733	C487-V511 HydrophobicContact CB-CG2 4.1Å; D509-V511 PolarHBondContact O-N 3.12Å; D509-V511 VanDerWaalsContact OD1-CB 3.28Å; D509-V511 WeakPolarHBondContact OD1-CB 3.22Å; D509-V511 WeakPolarHBondContact OD1-CG2 3.37Å; D509-V511 PolarHBondContact OD1-N 3.26Å; V511-H733 HydrophobicContact CB-CB 4.26Å; V511-H733 HydrophobicContact CG2-CB 3.74Å
512	H	65.5	Low	84.7	Confident	122 Å²	122	49 Å²	49	57%	0.565	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-9.6	-172.5	-57	100.4	0	0	0	112.8	D509 E514	D509-H512 IonicContact OD1-ND1 2.69Å; D509-H512 IonicContact OD2-CE1 3.84Å; D509-H512 IonicContact OD2-ND1 3.68Å; D509-H512 PolarHBondContact OD2-ND1 2.85Å; H512-E514 HydrophobicContact CB-CB 4.42Å; H512-E514 HydrophobicContact CB-CG 4.4Å; H512-E514 PolarHBondContact O-N 2.93Å
513	E	77	Confident	84.8	Confident	73 Å²	73	49.6 Å²	49.6	34%	0.341	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	22	-172.6	-53.4	-159.1	171.4	0	0	114.7	K470 Y508 D509	K470-E513 VanDerWaalsContact CE-OE1 3.31Å; K470-E513 WeakPolarHBondContact CE-OE1 3.45Å; K470-E513 WeakPolarHBondContact CE-OE2 3.48Å; K470-E513 IonicContact NZ-OE1 3.73Å; K470-E513 PolarHBondContact NZ-OE1 3Å; K470-E513 IonicContact NZ-OE2 2.59Å; K470-E513 PolarHBondContact NZ-OE2 3.32Å; Y508-E513 VanDerWaalsContact CE2-C 3.47Å; Y508-E513 VanDerWaalsContact CE2-O 3.22Å; Y508-E513 WeakPolarHBondContact CE2-O 3.44Å; Y508-E513 WeakPolarHBondContact OH-CA 3.25Å; Y508-E513 WeakPolarHBondContact OH-CB 3.34Å; D509-E513 VanDerWaalsContact O-CA 3.29Å; D509-E513 WeakPolarHBondContact O-CA 3.42Å; D509-E513 PolarHBondContact O-N 3.49Å
514	E	80.1	Confident	84.8	Confident	140 Å²	140	45.8 Å²	45.8	65%	0.654	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.2	-176.6	-71.8	-173.8	169.7	0	0	113.5	Y508 D509 H512	Y508-E514 WeakPolarHBondContact CA-O 3.23Å; D509-E514 PolarHBondContact N-O 3.09Å; H512-E514 HydrophobicContact CB-CB 4.42Å; H512-E514 HydrophobicContact CB-CG 4.4Å; H512-E514 PolarHBondContact O-N 2.93Å
515	W	86.7	Confident	84.7	Confident	48 Å²	48	44.1 Å²	44.1	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.4	171	-72.2	99.2	0	0	0	111.7	L447 D472 I473 P474 I491 W506 Y508	L447-W515 HydrophobicContact CD2-CH2 4.44Å; D472-W515 PolarHBondContact O-NE1 2.9Å; I473-W515 HydrophobicContact CB-CZ2 4.47Å; I473-W515 HydrophobicContact CG1-CH2 4.38Å; I473-W515 HydrophobicContact CG1-CZ2 3.96Å; P474-W515 VanDerWaalsContact CD-CD2 3.43Å; P474-W515 HydrophobicContact CG-CB 3.66Å; P474-W515 HydrophobicContact CG-CD2 3.97Å; P474-W515 HydrophobicContact CG-CE3 4.47Å; P474-W515 HydrophobicContact CG-CG 3.61Å; I491-W515 HydrophobicContact CD1-CH2 3.43Å; I491-W515 VanDerWaalsContact CD1-CH2 3.43Å; I491-W515 HydrophobicContact CD1-CZ2 4.49Å; I491-W515 HydrophobicContact CD1-CZ3 3.71Å; I491-W515 HydrophobicContact CG1-CH2 4.16Å; I491-W515 HydrophobicContact CG1-CZ3 4.16Å; W506-W515 HydrophobicContact CB-CE3 3.95Å; W506-W515 HydrophobicContact CB-CZ3 4.01Å; Y508-W515 AromaticContact CD2-CD1 3.92Å; Y508-W515 AromaticContact CD2-CD2 3.8Å; Y508-W515 HydrophobicContact CD2-CD2 3.8Å; Y508-W515 AromaticContact CD2-CE2 3.53Å; Y508-W515 HydrophobicContact CD2-CE3 4.43Å; Y508-W515 HydrophobicContact CD2-CG 4.04Å; Y508-W515 AromaticContact CD2-CZ2 3.94Å; Y508-W515 HydrophobicContact CD2-CZ2 3.94Å; Y508-W515 AromaticContact CD2-NE1 3.63Å; Y508-W515 HydrophobicContact CG-CD2 4.37Å; Y508-W515 HydrophobicContact CG-CH2 4.34Å; Y508-W515 HydrophobicContact CG-CZ2 4.13Å
516	S	88.3	Confident	84.5	Confident	60 Å²	60	45 Å²	45	42%	0.42	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	160.1	173	61.7	0	0	0	0	111	V507	V507-S516 PolarHBondContact N-O 2.75Å; V507-S516 PolarHBondContact O-N 2.73Å; V507-S516 PolarHBondContact O-OG 2.86Å
517	K	89.9	Confident	84.1	Confident	115 Å²	115	43.1 Å²	43.1	50%	0.5	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.1	179.5	-165.7	173.1	-176.1	174.9	0	110.3	D504 W506	D504-K517 WeakPolarHBondContact OD1-CE 3.44Å; D504-K517 IonicContact OD1-NZ 3.91Å; D504-K517 PolarHBondContact OD1-NZ 3.28Å; W506-K517 HydrophobicContact CE3-CB 4.03Å; W506-K517 HydrophobicContact CE3-CG 4.36Å; W506-K517 HydrophobicContact CH2-CB 4.37Å; W506-K517 HydrophobicContact CH2-CD 4.21Å; W506-K517 HydrophobicContact CH2-CG 4.5Å; W506-K517 HydrophobicContact CZ2-CD 4.32Å; W506-K517 HydrophobicContact CZ3-CB 3.85Å; W506-K517 HydrophobicContact CZ3-CG 4.33Å
518	A	91.3	Very high	84	Confident	12 Å²	12	43.3 Å²	43.3	10%	0.099	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	174.9	174.6	0	0	0	0	0	111.5	V505 V507 F564	V505-A518 HydrophobicContact CB-CB 4.1Å; V505-A518 HydrophobicContact CG1-CB 3.9Å; V505-A518 PolarHBondContact O-N 2.73Å; V507-A518 HydrophobicContact CG2-CB 3.68Å; A518-F564 HydrophobicContact CB-CZ 4Å
519	A	89.8	Confident	84.1	Confident	24 Å²	24	43.6 Å²	43.6	20%	0.198	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-55.9	135.5	172.9	0	0	0	0	0	110.6	V505 F564 N569 W571	V505-A519 WeakPolarHBondContact CG2-O 3.29Å; A519-F564 HydrophobicContact CB-CE2 4.32Å; A519-N569 WeakPolarHBondContact CB-O 3.45Å; A519-N569 WeakPolarHBondContact CB-OD1 3.37Å; A519-N569 PolarHBondContact N-OD1 3Å; A519-W571 PolarHBondContact O-NE1 2.97Å
520	P	91.1	Very high	84.8	Confident	56 Å²	56	43.4 Å²	43.4	36%	0.364	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-69.9	148.8	179.3	29.8	-35	0	0	0	111.1	K503	K503-P520 HydrophobicContact CB-CB 4.47Å; K503-P520 HydrophobicContact CD-CB 4.04Å; K503-P520 HydrophobicContact CG-CB 3.96Å; K503-P520 CarbonylContact O-C 3.59Å; K503-P520 WeakPolarHBondContact O-CA 3.21Å; K503-P520 WeakPolarHBondContact O-CB 3.44Å
521	M	92.1	Very high	85.7	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.02	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-57	155.4	172	-59.7	-175.8	-60.1	0	0	111.2	T492 G493 K503 V505 I523 R525 V539 W571	T492-M521 HydrophobicContact CG2-SD 4.42Å; G493-M521 VanDerWaalsContact CA-CE 3.41Å; K503-M521 HydrophobicContact CB-CB 4.3Å; K503-M521 PolarHBondContact O-N 3.01Å; V505-M521 HydrophobicContact CG2-CG 3.78Å; M521-I523 VanDerWaalsContact C-N 3.35Å; M521-R525 HydrophobicContact CE-CG 3.78Å; M521-R525 HydrophobicContact SD-CG 4.36Å; M521-V539 HydrophobicContact SD-CG1 4.02Å; M521-V539 HydrophobicContact SD-CG2 4.29Å; M521-W571 HydrophobicContact CB-CD2 4.49Å; M521-W571 HydrophobicContact CG-CD2 4.2Å; M521-W571 HydrophobicContact CG-CE3 4.43Å; M521-W571 HydrophobicContact CG-CH2 3.89Å; M521-W571 HydrophobicContact CG-CZ2 3.61Å; M521-W571 HydrophobicContact CG-CZ3 4.28Å; M521-W571 HydrophobicContact SD-CH2 4.35Å
522	L	89.6	Confident	86.8	Confident	96 Å²	96	44.2 Å²	44.2	50%	0.503	24%	0.235	S	C	.	.	S	Bend	trans	-69.2	-37.2	175.5	-52	172.9	0	0	0	110.5	E562 W571 M573	L522-E562 WeakPolarHBondContact CA-OE2 3.25Å; L522-E562 WeakPolarHBondContact CB-OE2 3.31Å; L522-E562 VanDerWaalsContact CG-OE2 3.29Å; L522-E562 WeakPolarHBondContact CG-OE2 3.43Å; L522-E562 PolarHBondContact N-OE2 3.06Å; L522-W571 HydrophobicContact CD1-CB 4.31Å; L522-W571 HydrophobicContact CD2-CB 4.16Å; L522-W571 HydrophobicContact CG-CB 3.86Å; L522-M573 HydrophobicContact CD1-CG 3.78Å; L522-M573 HydrophobicContact CD1-SD 3.93Å
523	I	87.1	Confident	87.7	Confident	29 Å²	29	38.7 Å²	38.7	15%	0.149	21%	0.209	C	C	.	.	S	Bend	trans	-119.8	125.7	-178.8	-58.4	149.6	0	0	0	110.6	M521 R525 L558 Q560 E562 M573	M521-I523 VanDerWaalsContact C-N 3.35Å; I523-R525 PolarHBondContact O-N 3.49Å; I523-L558 HydrophobicContact CG2-CD1 3.77Å; I523-Q560 HydrophobicContact CD1-CB 3.57Å; I523-Q560 HydrophobicContact CD1-CG 3.82Å; I523-E562 WeakPolarHBondContact CB-OE1 3.12Å; I523-E562 PolarHBondContact N-OE1 2.89Å; I523-E562 VanDerWaalsContact N-OE1 3.1Å; I523-M573 HydrophobicContact CD1-SD 4.19Å
524	A	87.4	Confident	87.8	Confident	26 Å²	26	39.9 Å²	39.9	22%	0.215	21%	0.214	C	C	.	.			trans	-68.4	125.2	171.5	0	0	0	0	0	110.5	V501 S502 K503 T544	V501-A524 VanDerWaalsContact CG1-C 3.49Å; V501-A524 HydrophobicContact CG1-CB 4.13Å; S502-A524 WeakPolarHBondContact O-CA 3.44Å; K503-A524 HydrophobicContact CB-CB 4.09Å; A524-T544 WeakPolarHBondContact O-CB 3.47Å; A524-T544 PolarHBondContact O-OG1 2.86Å
525	R	88.3	Confident	87.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.			trans	-150.1	156.4	-174	61.4	175.9	84.3	-155	7.6	114.5	G494 V501 S502 M521 I523 H528 V539 G541 H543 L558 Q560 E562	G494-R525 PolarHBondContact N-O 3.1Å; V501-R525 VanDerWaalsContact CG1-C 3.49Å; V501-R525 VanDerWaalsContact CG1-CA 3.43Å; V501-R525 VanDerWaalsContact CG1-N 3.3Å; S502-R525 PolarHBondContact O-N 2.85Å; S502-R525 VanDerWaalsContact O-N 3.16Å; M521-R525 HydrophobicContact CE-CG 3.78Å; M521-R525 HydrophobicContact SD-CG 4.36Å; I523-R525 PolarHBondContact O-N 3.49Å; R525-H528 HydrophobicContact CG-CB 4.36Å; R525-V539 VanDerWaalsContact CD-CG1 3.42Å; R525-G541 WeakPolarHBondContact CD-O 3.4Å; R525-G541 PolarHBondContact NH1-O 3.02Å; R525-H543 CarbonylContact C-O 3.56Å; R525-H543 WeakPolarHBondContact CA-O 3.49Å; R525-L558 HydrophobicContact CB-CD1 3.85Å; R525-Q560 PolarHBondContact NH1-O 3.29Å; R525-Q560 PolarHBondContact NH2-O 2.91Å; R525-E562 IonicContact CZ-OE1 3.21Å; R525-E562 IonicContact NE-OE1 2.73Å; R525-E562 IonicContact NH2-OE1 2.81Å; R525-E562 PolarHBondContact NH2-OE1 2.95Å
526	F	86.4	Confident	87.5	Confident	17 Å²	17	36.8 Å²	36.8	8%	0.075	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-139.9	155.7	174.6	71.5	-81	0	0	0	111	E479 R495 V501 H528 G542 H543	E479-F526 HydrophobicContact CB-CB 4.4Å; E479-F526 HydrophobicContact CB-CD2 4.31Å; E479-F526 VanDerWaalsContact OE2-CD2 3.28Å; E479-F526 WeakPolarHBondContact OE2-CD2 3.08Å; R495-F526 HydrophobicContact CB-CB 4.09Å; R495-F526 HydrophobicContact CB-CD2 4.49Å; R495-F526 HydrophobicContact CB-CG 4.18Å; V501-F526 HydrophobicContact CB-CD1 4.26Å; V501-F526 HydrophobicContact CG1-CB 4.43Å; V501-F526 HydrophobicContact CG1-CD1 3.74Å; V501-F526 HydrophobicContact CG2-CD1 3.46Å; V501-F526 VanDerWaalsContact CG2-CD1 3.46Å; V501-F526 HydrophobicContact CG2-CE1 3.65Å; F526-H528 PolarHBondContact O-N 3.04Å; F526-G542 CarbonylContact O-C 3.56Å; F526-G542 WeakPolarHBondContact O-CA 3.43Å; F526-H543 HydrophobicContact CD1-CB 3.88Å; F526-H543 VanDerWaalsContact CD1-O 3.27Å; F526-H543 WeakPolarHBondContact CD1-O 3.35Å; F526-H543 HydrophobicContact CD2-CB 4.42Å; F526-H543 HydrophobicContact CE1-CB 3.4Å; F526-H543 VanDerWaalsContact CE1-CB 3.4Å; F526-H543 HydrophobicContact CE2-CB 3.99Å; F526-H543 HydrophobicContact CG-CB 4.39Å; F526-H543 HydrophobicContact CZ-CB 3.46Å; F526-H543 VanDerWaalsContact CZ-CB 3.46Å; F526-H543 PolarHBondContact N-O 3.28Å; F526-H543 PolarHBondContact O-N 3.21Å
527	G	81.6	Confident	87.7	Confident	8 Å²	8	33.9 Å²	33.9	8%	0.082	18%	0.182	C	C	.	.	S	Bend	trans	65	24.8	-176.8	0	0	0	0	0	113.5	E479 G542 N583	E479-G527 PolarHBondContact O-N 3.24Å; G527-G542 WeakPolarHBondContact O-CA 3.36Å; G527-N583 PolarHBondContact O-N 3.05Å
528	H	89.4	Confident	87.8	Confident	11 Å²	11	28.9 Å²	28.9	5%	0.051	16%	0.16	C	C	.	.			trans	-87.1	157	174.1	57.7	-79.9	0	0	0	111.4	S481 T492 R525 F526 V539 G541	S481-H528 VanDerWaalsContact CB-CD2 3.45Å; S481-H528 WeakPolarHBondContact CB-CD2 2.93Å; S481-H528 VanDerWaalsContact CB-NE2 3.35Å; S481-H528 WeakPolarHBondContact CB-NE2 3.19Å; S481-H528 WeakPolarHBondContact CB-O 3.4Å; S481-H528 PolarHBondContact OG-O 3.41Å; T492-H528 PolarHBondContact O-CE1 2.99Å; T492-H528 PolarHBondContact O-NE2 2.84Å; T492-H528 VanDerWaalsContact O-NE2 3.15Å; T492-H528 PolarHBondContact OG1-NE2 2.76Å; R525-H528 HydrophobicContact CG-CB 4.36Å; F526-H528 PolarHBondContact O-N 3.04Å; H528-V539 HydrophobicContact CB-CG1 4.5Å; H528-G541 WeakPolarHBondContact CB-O 3.37Å
529	G	89.1	Confident	87.9	Confident	9 Å²	9	28.3 Å²	28.3	9%	0.093	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	151.2	167	0	0	0	0	0	110.9	V540	G529-V540 PolarHBondContact N-O 2.72Å; G529-V540 PolarHBondContact O-N 2.73Å
530	S	92	Very high	88	Confident	13 Å²	13	27.2 Å²	27.2	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.4	169.8	65.2	0	0	0	0	111.1	S481 Y538	S481-S530 WeakPolarHBondContact CB-OG 3.37Å; S481-S530 WeakPolarHBondContact OG-CB 3.45Å; S481-S530 PolarHBondContact OG-N 2.62Å; S481-S530 VanDerWaalsContact OG-N 3.09Å; S481-S530 PolarHBondContact OG-OG 2.97Å; S530-Y538 WeakPolarHBondContact CA-O 3.29Å
531	A	91.9	Very high	87.8	Confident	7 Å²	7	24.6 Å²	24.6	6%	0.058	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	148	-179.9	0	0	0	0	0	111.1	Y538 V586 L593	A531-Y538 PolarHBondContact N-O 3.21Å; A531-Y538 PolarHBondContact O-N 3.4Å; A531-V586 HydrophobicContact CB-CG1 4.12Å; A531-L593 HydrophobicContact CB-CD2 4.15Å
532	E	88.2	Confident	87.6	Confident	59 Å²	59	24.4 Å²	24.4	28%	0.276	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.7	171.9	-179.1	-81.1	125.9	0	0	109.2	C483 I485 K534 H535 S588	C483-E532 PolarHBondContact SG-N 3.42Å; I485-E532 HydrophobicContact CB-CG 4.45Å; I485-E532 HydrophobicContact CD1-CB 4.47Å; I485-E532 HydrophobicContact CD1-CG 4.12Å; I485-E532 HydrophobicContact CG1-CB 4.11Å; I485-E532 HydrophobicContact CG1-CG 3.8Å; I485-E532 HydrophobicContact CG2-CG 4.23Å; E532-K534 PolarHBondContact OE1-N 3.05Å; E532-H535 WeakPolarHBondContact OE1-CA 3.34Å; E532-H535 PolarHBondContact OE1-N 2.82Å; E532-S588 WeakPolarHBondContact O-CB 3.49Å; E532-S588 PolarHBondContact O-OG 3.33Å
533	L	83.8	Confident	87.2	Confident	5 Å²	5	20.7 Å²	20.7	3%	0.026	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	117.8	170.7	172.4	69.8	0	0	0	109.8	H535 C536 Y538 L591 L593 P614	L533-H535 VanDerWaalsContact C-N 3.28Å; L533-H535 PolarHBondContact O-N 3.37Å; L533-C536 PolarHBondContact N-O 2.8Å; L533-C536 PolarHBondContact O-N 2.59Å; L533-C536 VanDerWaalsContact O-N 3.15Å; L533-Y538 HydrophobicContact CB-CD2 3.78Å; L533-Y538 HydrophobicContact CB-CE2 3.72Å; L533-Y538 HydrophobicContact CD2-CD2 4.39Å; L533-Y538 HydrophobicContact CD2-CE2 3.89Å; L533-Y538 HydrophobicContact CG-CE2 4.09Å; L533-L591 VanDerWaalsContact CD1-C 3.5Å; L533-L593 HydrophobicContact CB-CD2 3.83Å; L533-L593 HydrophobicContact CD2-CD2 3.87Å; L533-L593 HydrophobicContact CD2-CG 3.87Å; L533-L593 HydrophobicContact CG-CD2 4.37Å; L533-P614 HydrophobicContact CD2-CB 4.32Å; L533-P614 HydrophobicContact CD2-CG 4.16Å
534	K	78.6	Confident	86.9	Confident	99 Å²	99	21 Å²	21	43%	0.43	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	44.2	-178.7	-58.6	178.8	179	-179.8	0	111.7	E532 C536 L591	E532-K534 PolarHBondContact OE1-N 3.05Å; K534-C536 PolarHBondContact O-N 3.21Å; K534-C536 VanDerWaalsContact O-N 3.1Å; K534-L591 HydrophobicContact CG-CD2 4.04Å
535	H	76.4	Confident	85.9	Confident	104 Å²	104	22.4 Å²	22.4	48%	0.481	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	7.9	-178.4	-44.3	-68.9	0	0	0	115.2	V429 I485 E532 L533 P566	V429-H535 VanDerWaalsContact CG2-NE2 3.34Å; V429-H535 WeakPolarHBondContact CG2-NE2 3.41Å; I485-H535 HydrophobicContact CG2-CB 4.42Å; E532-H535 WeakPolarHBondContact OE1-CA 3.34Å; E532-H535 PolarHBondContact OE1-N 2.82Å; L533-H535 VanDerWaalsContact C-N 3.28Å; L533-H535 PolarHBondContact O-N 3.37Å; H535-P566 WeakPolarHBondContact O-CD 3.33Å; H535-P566 WeakPolarHBondContact O-CG 3.31Å
536	C	85	Confident	84.5	Confident	18 Å²	18	24.5 Å²	24.5	12%	0.122	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.4	170.8	-63.1	0	0	0	0	110.3	L533 K534 Y538 Q563 F564	L533-C536 PolarHBondContact N-O 2.8Å; L533-C536 PolarHBondContact O-N 2.59Å; L533-C536 VanDerWaalsContact O-N 3.15Å; K534-C536 PolarHBondContact O-N 3.21Å; K534-C536 VanDerWaalsContact O-N 3.1Å; C536-Y538 HydrophobicContact CB-CD2 4.38Å; C536-Y538 HydrophobicContact CB-CE2 3.88Å; C536-Q563 HydrophobicContact CB-CG 3.87Å; C536-Q563 PolarHBondContact SG-NE2 3.46Å; C536-F564 WeakPolarHBondContact CA-O 3.36Å; C536-F564 WeakPolarHBondContact CB-O 3.42Å
537	L	91.8	Very high	82.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.6	174.9	177.8	61	0	0	0	109.4	C483 I485 Y490 T492 V539 Q563 F564 W571	C483-L537 HydrophobicContact CB-CD1 3.47Å; C483-L537 VanDerWaalsContact CB-CD1 3.47Å; I485-L537 HydrophobicContact CD1-CB 3.81Å; Y490-L537 HydrophobicContact CD1-CD2 4.42Å; Y490-L537 HydrophobicContact CG-CD2 4.2Å; T492-L537 HydrophobicContact CG2-CD2 3.69Å; L537-V539 HydrophobicContact CG-CG2 4.49Å; L537-Q563 CarbonylContact O-C 3.56Å; L537-Q563 WeakPolarHBondContact O-CA 3.45Å; L537-F564 HydrophobicContact CB-CB 4.17Å; L537-F564 HydrophobicContact CB-CD1 4.23Å; L537-F564 PolarHBondContact N-O 3.16Å; L537-F564 PolarHBondContact O-N 3.43Å; L537-W571 HydrophobicContact CD2-CH2 4.15Å; L537-W571 HydrophobicContact CG-CH2 4.44Å
538	Y	93	Very high	81.1	Confident	9 Å²	9	34.4 Å²	34.4	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.1	173.9	-74.5	-103.1	0	0	0	110.6	S530 A531 L533 C536 E562 Q563 V574 L593 Y612	S530-Y538 WeakPolarHBondContact CA-O 3.29Å; A531-Y538 PolarHBondContact N-O 3.21Å; A531-Y538 PolarHBondContact O-N 3.4Å; L533-Y538 HydrophobicContact CB-CD2 3.78Å; L533-Y538 HydrophobicContact CB-CE2 3.72Å; L533-Y538 HydrophobicContact CD2-CD2 4.39Å; L533-Y538 HydrophobicContact CD2-CE2 3.89Å; L533-Y538 HydrophobicContact CG-CE2 4.09Å; C536-Y538 HydrophobicContact CB-CD2 4.38Å; C536-Y538 HydrophobicContact CB-CE2 3.88Å; Y538-E562 WeakPolarHBondContact CA-O 3.28Å; Y538-Q563 HydrophobicContact CD1-CB 4.02Å; Y538-Q563 HydrophobicContact CD1-CG 4.33Å; Y538-Q563 HydrophobicContact CD2-CG 4.35Å; Y538-Q563 HydrophobicContact CE1-CB 3.8Å; Y538-Q563 HydrophobicContact CE1-CG 3.89Å; Y538-Q563 HydrophobicContact CE2-CG 3.88Å; Y538-Q563 VanDerWaalsContact CZ-CD 3.44Å; Y538-Q563 PolarHBondContact OH-NE2 3.46Å; Y538-Q563 PolarHBondContact OH-OE1 2.81Å; Y538-Q563 VanDerWaalsContact OH-OE1 3.14Å; Y538-V574 HydrophobicContact CD1-CG2 4.4Å; Y538-V574 HydrophobicContact CE1-CG1 4.32Å; Y538-V574 HydrophobicContact CE1-CG2 4.33Å; Y538-L593 HydrophobicContact CD1-CD1 3.71Å; Y538-L593 HydrophobicContact CD2-CD1 4.42Å; Y538-L593 HydrophobicContact CE1-CD1 4.42Å; Y538-L593 HydrophobicContact CG-CD1 3.68Å; Y538-Y612 AromaticContact CE1-CE1 3.8Å; Y538-Y612 HydrophobicContact CE1-CE1 3.8Å
539	V	93.1	Very high	78.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117	179.5	167.1	0	0	0	0	109.2	T492 M521 R525 H528 L537 V561 E562 W571	T492-V539 HydrophobicContact CG2-CG2 4.06Å; M521-V539 HydrophobicContact SD-CG1 4.02Å; M521-V539 HydrophobicContact SD-CG2 4.29Å; R525-V539 VanDerWaalsContact CD-CG1 3.42Å; H528-V539 HydrophobicContact CB-CG1 4.5Å; L537-V539 HydrophobicContact CG-CG2 4.49Å; V539-V561 WeakPolarHBondContact O-CA 3.17Å; V539-V561 WeakPolarHBondContact O-CG1 3.46Å; V539-E562 PolarHBondContact N-O 2.85Å; V539-E562 PolarHBondContact O-N 3.44Å; V539-W571 HydrophobicContact CB-CH2 4.37Å; V539-W571 HydrophobicContact CB-CZ3 4.04Å; V539-W571 HydrophobicContact CG2-CH2 3.58Å; V539-W571 HydrophobicContact CG2-CZ3 3.74Å
540	V	91.8	Very high	76.1	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.2	-164.9	178.6	0	0	0	0	110.6	G529 V561 L577 V586 L593 W619	G529-V540 PolarHBondContact N-O 2.72Å; G529-V540 PolarHBondContact O-N 2.73Å; V540-V561 HydrophobicContact CG1-CG2 4.26Å; V540-V561 HydrophobicContact CG2-CG1 3.83Å; V540-V561 HydrophobicContact CG2-CG2 4.46Å; V540-L577 HydrophobicContact CG1-CD1 3.86Å; V540-L577 HydrophobicContact CG1-CD2 3.91Å; V540-L577 HydrophobicContact CG1-CG 4.22Å; V540-V586 HydrophobicContact CB-CG1 4.14Å; V540-V586 HydrophobicContact CB-CG2 4.08Å; V540-V586 HydrophobicContact CG1-CG2 4.13Å; V540-V586 HydrophobicContact CG2-CG1 3.92Å; V540-L593 HydrophobicContact CG2-CD1 4.32Å; V540-W619 HydrophobicContact CG1-CH2 3.99Å; V540-W619 HydrophobicContact CG1-CZ2 4.2Å; V540-W619 HydrophobicContact CG2-CH2 4.26Å; V540-W619 HydrophobicContact CG2-CZ2 4.27Å
541	G	88.3	Confident	74	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	32%	0.319	C	S	.	.			trans	66	-142.4	171.4	0	0	0	0	0	114.5	R525 H528 V581	R525-G541 WeakPolarHBondContact CD-O 3.4Å; R525-G541 PolarHBondContact NH1-O 3.02Å; H528-G541 WeakPolarHBondContact CB-O 3.37Å; G541-V581 CarbonylContact C-O 3.47Å; G541-V581 WeakPolarHBondContact CA-O 3.45Å
542	G	86.1	Confident	71.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	35%	0.354	C	S	.	.			trans	90.9	-170.6	-174.6	0	0	0	0	0	113.4	F526 G527 S557 L558 V581	F526-G542 CarbonylContact O-C 3.56Å; F526-G542 WeakPolarHBondContact O-CA 3.43Å; G527-G542 WeakPolarHBondContact O-CA 3.36Å; G542-S557 WeakPolarHBondContact O-CA 3.38Å; G542-L558 PolarHBondContact O-N 2.74Å; G542-V581 PolarHBondContact N-O 3.32Å
543	H	82.4	Confident	69.7	Low	19 Å²	19	58 Å²	58	9%	0.088	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.2	178.6	-72.1	115.2	0	0	0	111.3	R525 F526 V556 S557 S582	R525-H543 CarbonylContact C-O 3.56Å; R525-H543 WeakPolarHBondContact CA-O 3.49Å; F526-H543 HydrophobicContact CD1-CB 3.88Å; F526-H543 VanDerWaalsContact CD1-O 3.27Å; F526-H543 WeakPolarHBondContact CD1-O 3.35Å; F526-H543 HydrophobicContact CD2-CB 4.42Å; F526-H543 HydrophobicContact CE1-CB 3.4Å; F526-H543 VanDerWaalsContact CE1-CB 3.4Å; F526-H543 HydrophobicContact CE2-CB 3.99Å; F526-H543 HydrophobicContact CG-CB 4.39Å; F526-H543 HydrophobicContact CZ-CB 3.46Å; F526-H543 VanDerWaalsContact CZ-CB 3.46Å; F526-H543 PolarHBondContact N-O 3.28Å; F526-H543 PolarHBondContact O-N 3.21Å; H543-V556 WeakPolarHBondContact CA-O 3.36Å; H543-S557 PolarHBondContact NE2-OG 2.74Å; H543-S582 WeakPolarHBondContact CE1-CB 3.45Å; H543-S582 PolarHBondContact CE1-OG 2.86Å; H543-S582 PolarHBondContact NE2-OG 2.81Å
544	T	80.1	Confident	68.1	Low	34 Å²	34	62.1 Å²	62.1	21%	0.209	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	158.1	160.2	-156.3	0	0	0	0	110.8	A524 V556 L558	A524-T544 WeakPolarHBondContact O-CB 3.47Å; A524-T544 PolarHBondContact O-OG1 2.86Å; T544-V556 PolarHBondContact N-O 3.35Å; T544-V556 PolarHBondContact O-N 3.35Å; T544-L558 HydrophobicContact CG2-CD2 3.78Å
545	A	67.6	Low	67.3	Low	57 Å²	57	59.8 Å²	59.8	47%	0.471	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.8	171.8	0	0	0	0	0	109.3	V501 T547	V501-A545 HydrophobicContact CG2-CB 3.85Å; A545-T547 PolarHBondContact O-N 2.93Å
546	A	58.6	Low	67	Low	43 Å²	43	58.1 Å²	58.1	36%	0.355	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-63.1	123.7	169.1	0	0	0	0	0	109.2	G548	A546-G548 PolarHBondContact O-N 2.7Å
547	T	47.4	Very low	66.7	Low	151 Å²	151	57.9 Å²	57.9	93%	0.926	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	118	177.8	40.3	0	0	0	0	110.6	A545	A545-T547 PolarHBondContact O-N 2.93Å
548	G	47.7	Very low	66.2	Low	82 Å²	82	58.3 Å²	58.3	85%	0.845	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.4	-12	169.1	0	0	0	0	0	116.8	A546	A546-G548 PolarHBondContact O-N 2.7Å
549	C	40.3	Very low	65.9	Low	102 Å²	102	63 Å²	63	69%	0.689	42%	0.418	S	S	*	.			trans	-123.1	121	-174.8	-64.5	0	0	0	0	113.9
550	L	34.2	Very low	65.7	Low	170 Å²	170	66.9 Å²	66.9	89%	0.89	44%	0.436	S	S	*	.			trans	-127	143.1	159.8	-72.2	171.6	0	0	0	108.1
551	P	47.8	Very low	65.7	Low	121 Å²	121	66.8 Å²	66.8	79%	0.786	44%	0.435	S	S	*	.	S	Bend	cis	-105.4	171.1	-18.4	37.6	-26.5	0	0	0	112.5
552	A	41.1	Very low	66	Low	96 Å²	96	66.8 Å²	66.8	79%	0.793	44%	0.435	S	S	*	.	S	Bend	trans	72	83.4	174.4	0	0	0	0	0	117.8
553	S	49.4	Very low	66.4	Low	105 Å²	105	68.8 Å²	68.8	73%	0.734	45%	0.445	S	S	*	.			trans	69.8	155.3	156.2	-69.1	0	0	0	0	118.2
554	P	50.6	Low	67	Low	93 Å²	93	68 Å²	68	60%	0.604	44%	0.441	S	S	*	.	P	Polyproline II helix	cis	-93.5	137.8	1.2	34.2	-29.5	0	0	0	114.1
555	S	61.2	Low	67.3	Low	49 Å²	49	69.2 Å²	69.2	34%	0.343	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.8	160.8	49.8	0	0	0	0	109.8
556	V	69.9	Low	68	Low	70 Å²	70	68.2 Å²	68.2	42%	0.424	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.7	-178.4	-178.1	0	0	0	0	109.4	H543 T544 L558	H543-V556 WeakPolarHBondContact CA-O 3.36Å; T544-V556 PolarHBondContact N-O 3.35Å; T544-V556 PolarHBondContact O-N 3.35Å; V556-L558 PolarHBondContact O-N 2.77Å
557	S	77.4	Confident	69.1	Low	13 Å²	13	71.4 Å²	71.4	9%	0.091	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.9	172.2	-45.7	0	0	0	0	109.8	G542 H543	G542-S557 WeakPolarHBondContact O-CA 3.38Å; H543-S557 PolarHBondContact NE2-OG 2.74Å
558	L	81.8	Confident	70.7	Confident	9 Å²	9	67 Å²	67	5%	0.047	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-78	138.6	-173.6	-61.1	179.9	0	0	0	111.6	I523 R525 G542 T544 V556 G580	I523-L558 HydrophobicContact CG2-CD1 3.77Å; R525-L558 HydrophobicContact CB-CD1 3.85Å; G542-L558 PolarHBondContact O-N 2.74Å; T544-L558 HydrophobicContact CG2-CD2 3.78Å; V556-L558 PolarHBondContact O-N 2.77Å; L558-G580 WeakPolarHBondContact O-CA 3.44Å
559	K	87.3	Confident	72.6	Confident	106 Å²	106	67 Å²	67	46%	0.461	41%	0.409	S	S	.	.			trans	-90	-17.7	162.8	-61.9	-169.2	179.3	-159.2	0	112.7	P576 L577 R578	K559-P576 HydrophobicContact CB-CB 4.08Å; K559-P576 CarbonylContact O-C 3.58Å; K559-P576 VanDerWaalsContact O-CA 3.23Å; K559-P576 WeakPolarHBondContact O-CA 3.34Å; K559-P576 WeakPolarHBondContact O-CB 3.49Å; K559-L577 HydrophobicContact CB-CB 4.45Å; K559-L577 PolarHBondContact O-N 3.43Å; K559-R578 WeakPolarHBondContact CE-O 3.38Å; K559-R578 PolarHBondContact NZ-O 3.01Å
560	Q	89.3	Confident	75	Confident	82 Å²	82	68.4 Å²	68.4	38%	0.383	40%	0.404	S	S	.	.			trans	-68	132	-172.7	-76.1	149.5	-38.6	0	0	111.5	I523 R525 M573	I523-Q560 HydrophobicContact CD1-CB 3.57Å; I523-Q560 HydrophobicContact CD1-CG 3.82Å; R525-Q560 PolarHBondContact NH1-O 3.29Å; R525-Q560 PolarHBondContact NH2-O 2.91Å; Q560-M573 HydrophobicContact CB-CE 3.92Å; Q560-M573 HydrophobicContact CG-CE 3.96Å
561	V	92.3	Very high	77.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.4	175.5	-177.4	0	0	0	0	107.9	V539 V540 M573 V574 L577 W619	V539-V561 WeakPolarHBondContact O-CA 3.17Å; V539-V561 WeakPolarHBondContact O-CG1 3.46Å; V540-V561 HydrophobicContact CG1-CG2 4.26Å; V540-V561 HydrophobicContact CG2-CG1 3.83Å; V540-V561 HydrophobicContact CG2-CG2 4.46Å; V561-M573 WeakPolarHBondContact O-CE 3.34Å; V561-V574 HydrophobicContact CB-CG2 3.71Å; V561-V574 HydrophobicContact CG1-CG2 3.45Å; V561-V574 VanDerWaalsContact CG1-CG2 3.45Å; V561-V574 PolarHBondContact O-N 3.22Å; V561-V574 VanDerWaalsContact O-N 3.12Å; V561-L577 HydrophobicContact CG2-CD1 4.11Å; V561-L577 HydrophobicContact CG2-CG 3.82Å; V561-W619 HydrophobicContact CG1-CZ2 4.32Å; V561-W619 HydrophobicContact CG2-CZ2 3.82Å
562	E	93.8	Very high	80.1	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.8	179.9	-62	178	-124.2	0	0	109.6	L522 I523 R525 Y538 V539 W571 T572 M573	L522-E562 WeakPolarHBondContact CA-OE2 3.25Å; L522-E562 WeakPolarHBondContact CB-OE2 3.31Å; L522-E562 VanDerWaalsContact CG-OE2 3.29Å; L522-E562 WeakPolarHBondContact CG-OE2 3.43Å; L522-E562 PolarHBondContact N-OE2 3.06Å; I523-E562 WeakPolarHBondContact CB-OE1 3.12Å; I523-E562 PolarHBondContact N-OE1 2.89Å; I523-E562 VanDerWaalsContact N-OE1 3.1Å; R525-E562 IonicContact CZ-OE1 3.21Å; R525-E562 IonicContact NE-OE1 2.73Å; R525-E562 IonicContact NH2-OE1 2.81Å; R525-E562 PolarHBondContact NH2-OE1 2.95Å; Y538-E562 WeakPolarHBondContact CA-O 3.28Å; V539-E562 PolarHBondContact N-O 2.85Å; V539-E562 PolarHBondContact O-N 3.44Å; E562-W571 HydrophobicContact CB-CE3 3.67Å; E562-W571 HydrophobicContact CB-CZ3 3.99Å; E562-T572 WeakPolarHBondContact CA-O 3.35Å; E562-M573 HydrophobicContact CG-SD 3.73Å
563	Q	94.5	Very high	82.6	Confident	42 Å²	42	57.9 Å²	57.9	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.3	171.3	178.9	-176.3	-5.5	0	0	108.4	C536 L537 Y538 W571 T572 V574	C536-Q563 HydrophobicContact CB-CG 3.87Å; C536-Q563 PolarHBondContact SG-NE2 3.46Å; L537-Q563 CarbonylContact O-C 3.56Å; L537-Q563 WeakPolarHBondContact O-CA 3.45Å; Y538-Q563 HydrophobicContact CD1-CB 4.02Å; Y538-Q563 HydrophobicContact CD1-CG 4.33Å; Y538-Q563 HydrophobicContact CD2-CG 4.35Å; Y538-Q563 HydrophobicContact CE1-CB 3.8Å; Y538-Q563 HydrophobicContact CE1-CG 3.89Å; Y538-Q563 HydrophobicContact CE2-CG 3.88Å; Y538-Q563 VanDerWaalsContact CZ-CD 3.44Å; Y538-Q563 PolarHBondContact OH-NE2 3.46Å; Y538-Q563 PolarHBondContact OH-OE1 2.81Å; Y538-Q563 VanDerWaalsContact OH-OE1 3.14Å; Q563-W571 CarbonylContact O-C 3.38Å; Q563-W571 WeakPolarHBondContact O-CA 3.41Å; Q563-T572 PolarHBondContact N-O 3.38Å; Q563-T572 PolarHBondContact O-N 3.1Å; Q563-T572 PolarHBondContact O-OG1 2.96Å; Q563-V574 HydrophobicContact CB-CG1 3.81Å
564	F	94.2	Very high	84.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.9	169.8	174	-106.7	0	0	0	109.7	Y490 A518 A519 C536 L537 P566 N569 K570 W571	Y490-F564 HydrophobicContact CD1-CE1 4.23Å; Y490-F564 AromaticContact CE1-CE1 3.82Å; Y490-F564 HydrophobicContact CE1-CE1 3.82Å; A518-F564 HydrophobicContact CB-CZ 4Å; A519-F564 HydrophobicContact CB-CE2 4.32Å; C536-F564 WeakPolarHBondContact CA-O 3.36Å; C536-F564 WeakPolarHBondContact CB-O 3.42Å; L537-F564 HydrophobicContact CB-CB 4.17Å; L537-F564 HydrophobicContact CB-CD1 4.23Å; L537-F564 PolarHBondContact N-O 3.16Å; L537-F564 PolarHBondContact O-N 3.43Å; F564-P566 HydrophobicContact CD1-CG 4.04Å; F564-P566 HydrophobicContact CE1-CB 3.98Å; F564-P566 HydrophobicContact CE1-CG 3.97Å; F564-P566 WeakPolarHBondContact O-CD 3.49Å; F564-N569 WeakPolarHBondContact CE2-OD1 3.43Å; F564-N569 WeakPolarHBondContact CZ-OD1 3.15Å; F564-K570 WeakPolarHBondContact CA-O 3.37Å; F564-W571 HydrophobicContact CB-CD2 3.64Å; F564-W571 HydrophobicContact CB-CE3 3.59Å; F564-W571 HydrophobicContact CB-CG 4.4Å; F564-W571 HydrophobicContact CB-CH2 3.52Å; F564-W571 HydrophobicContact CB-CZ2 3.55Å; F564-W571 HydrophobicContact CB-CZ3 3.55Å; F564-W571 AromaticContact CD2-CD1 3.71Å; F564-W571 AromaticContact CD2-CD2 3.96Å; F564-W571 HydrophobicContact CD2-CD2 3.96Å; F564-W571 AromaticContact CD2-CE2 3.55Å; F564-W571 HydrophobicContact CD2-CG 4.03Å; F564-W571 HydrophobicContact CD2-CZ2 4.01Å; F564-W571 AromaticContact CD2-NE1 3.39Å; F564-W571 AromaticContact CE2-NE1 3.93Å; F564-W571 HydrophobicContact CG-CD2 4.21Å; F564-W571 AromaticContact CG-CE2 3.8Å; F564-W571 HydrophobicContact CG-CH2 4.28Å; F564-W571 AromaticContact CG-CZ2 3.83Å; F564-W571 HydrophobicContact CG-CZ2 3.83Å
565	D	87.3	Confident	86.6	Confident	60 Å²	60	50 Å²	50	32%	0.321	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.4	167.8	179.1	-14.6	0	0	0	108.2	V567 A568 N569 K570	D565-V567 VanDerWaalsContact C-N 3.29Å; D565-V567 PolarHBondContact O-N 3.09Å; D565-V567 WeakPolarHBondContact OD1-CA 3.4Å; D565-V567 WeakPolarHBondContact OD1-CB 3.4Å; D565-V567 PolarHBondContact OD1-N 2.89Å; D565-A568 HydrophobicContact CB-CB 4.08Å; D565-A568 PolarHBondContact OD1-N 2.85Å; D565-A568 VanDerWaalsContact OD1-N 3.13Å; D565-A568 WeakPolarHBondContact OD2-CB 3.37Å; D565-N569 VanDerWaalsContact O-CA 3.29Å; D565-N569 WeakPolarHBondContact O-CA 3.47Å; D565-N569 PolarHBondContact O-N 2.76Å; D565-K570 PolarHBondContact N-O 2.86Å; D565-K570 PolarHBondContact O-N 2.8Å
566	P	82.4	Confident	88	Confident	36 Å²	36	51.4 Å²	51.4	23%	0.234	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.6	178	-21.2	34.2	0	0	0	114.2	I485 H535 F564	I485-P566 HydrophobicContact CD1-CG 4.25Å; H535-P566 WeakPolarHBondContact O-CD 3.33Å; H535-P566 WeakPolarHBondContact O-CG 3.31Å; F564-P566 HydrophobicContact CD1-CG 4.04Å; F564-P566 HydrophobicContact CE1-CB 3.98Å; F564-P566 HydrophobicContact CE1-CG 3.97Å; F564-P566 WeakPolarHBondContact O-CD 3.49Å
567	V	81.1	Confident	88.9	Confident	110 Å²	110	48.3 Å²	48.3	67%	0.667	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-46.9	-179.4	-176.4	0	0	0	0	109.7	D565 N569	D565-V567 VanDerWaalsContact C-N 3.29Å; D565-V567 PolarHBondContact O-N 3.09Å; D565-V567 WeakPolarHBondContact OD1-CA 3.4Å; D565-V567 WeakPolarHBondContact OD1-CB 3.4Å; D565-V567 PolarHBondContact OD1-N 2.89Å; V567-N569 VanDerWaalsContact C-N 3.25Å; V567-N569 PolarHBondContact O-N 3.05Å
568	A	80.8	Confident	89.3	Confident	60 Å²	60	54.2 Å²	54.2	50%	0.496	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.9	174.6	0	0	0	0	0	113.8	D565 K570	D565-A568 HydrophobicContact CB-CB 4.08Å; D565-A568 PolarHBondContact OD1-N 2.85Å; D565-A568 VanDerWaalsContact OD1-N 3.13Å; D565-A568 WeakPolarHBondContact OD2-CB 3.37Å; A568-K570 VanDerWaalsContact C-N 3.25Å; A568-K570 HydrophobicContact CB-CB 4.22Å; A568-K570 PolarHBondContact O-N 3.33Å
569	N	88.6	Confident	89.2	Confident	80 Å²	80	56.2 Å²	56.2	43%	0.428	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	48.6	-171.5	-171.2	20.8	0	0	0	112.3	A519 F564 D565 V567	A519-N569 WeakPolarHBondContact CB-O 3.45Å; A519-N569 WeakPolarHBondContact CB-OD1 3.37Å; A519-N569 PolarHBondContact N-OD1 3Å; F564-N569 WeakPolarHBondContact CE2-OD1 3.43Å; F564-N569 WeakPolarHBondContact CZ-OD1 3.15Å; D565-N569 VanDerWaalsContact O-CA 3.29Å; D565-N569 WeakPolarHBondContact O-CA 3.47Å; D565-N569 PolarHBondContact O-N 2.76Å; V567-N569 VanDerWaalsContact C-N 3.25Å; V567-N569 PolarHBondContact O-N 3.05Å
570	K	90.6	Very high	88.9	Confident	132 Å²	132	51.4 Å²	51.4	57%	0.574	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.9	-169.4	-173.5	176.3	178.9	-177.8	0	112.5	F564 D565 A568	F564-K570 WeakPolarHBondContact CA-O 3.37Å; D565-K570 PolarHBondContact N-O 2.86Å; D565-K570 PolarHBondContact O-N 2.8Å; A568-K570 VanDerWaalsContact C-N 3.25Å; A568-K570 HydrophobicContact CB-CB 4.22Å; A568-K570 PolarHBondContact O-N 3.33Å
571	W	94.9	Very high	88.5	Confident	13 Å²	13	47.7 Å²	47.7	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.2	172.1	-68	90.1	0	0	0	111.9	T492 V505 A519 M521 L522 L537 V539 E562 Q563 F564	T492-W571 HydrophobicContact CG2-CH2 4.21Å; T492-W571 HydrophobicContact CG2-CZ2 4.4Å; V505-W571 HydrophobicContact CG1-CZ2 4.45Å; V505-W571 HydrophobicContact CG2-CZ2 3.65Å; A519-W571 PolarHBondContact O-NE1 2.97Å; M521-W571 HydrophobicContact CB-CD2 4.49Å; M521-W571 HydrophobicContact CG-CD2 4.2Å; M521-W571 HydrophobicContact CG-CE3 4.43Å; M521-W571 HydrophobicContact CG-CH2 3.89Å; M521-W571 HydrophobicContact CG-CZ2 3.61Å; M521-W571 HydrophobicContact CG-CZ3 4.28Å; M521-W571 HydrophobicContact SD-CH2 4.35Å; L522-W571 HydrophobicContact CD1-CB 4.31Å; L522-W571 HydrophobicContact CD2-CB 4.16Å; L522-W571 HydrophobicContact CG-CB 3.86Å; L537-W571 HydrophobicContact CD2-CH2 4.15Å; L537-W571 HydrophobicContact CG-CH2 4.44Å; V539-W571 HydrophobicContact CB-CH2 4.37Å; V539-W571 HydrophobicContact CB-CZ3 4.04Å; V539-W571 HydrophobicContact CG2-CH2 3.58Å; V539-W571 HydrophobicContact CG2-CZ3 3.74Å; E562-W571 HydrophobicContact CB-CE3 3.67Å; E562-W571 HydrophobicContact CB-CZ3 3.99Å; Q563-W571 CarbonylContact O-C 3.38Å; Q563-W571 WeakPolarHBondContact O-CA 3.41Å; F564-W571 HydrophobicContact CB-CD2 3.64Å; F564-W571 HydrophobicContact CB-CE3 3.59Å; F564-W571 HydrophobicContact CB-CG 4.4Å; F564-W571 HydrophobicContact CB-CH2 3.52Å; F564-W571 HydrophobicContact CB-CZ2 3.55Å; F564-W571 HydrophobicContact CB-CZ3 3.55Å; F564-W571 AromaticContact CD2-CD1 3.71Å; F564-W571 AromaticContact CD2-CD2 3.96Å; F564-W571 HydrophobicContact CD2-CD2 3.96Å; F564-W571 AromaticContact CD2-CE2 3.55Å; F564-W571 HydrophobicContact CD2-CG 4.03Å; F564-W571 HydrophobicContact CD2-CZ2 4.01Å; F564-W571 AromaticContact CD2-NE1 3.39Å; F564-W571 AromaticContact CE2-NE1 3.93Å; F564-W571 HydrophobicContact CG-CD2 4.21Å; F564-W571 AromaticContact CG-CE2 3.8Å; F564-W571 HydrophobicContact CG-CH2 4.28Å; F564-W571 AromaticContact CG-CZ2 3.83Å; F564-W571 HydrophobicContact CG-CZ2 3.83Å
572	T	94.1	Very high	88	Confident	61 Å²	61	47.8 Å²	47.8	37%	0.374	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.3	174.7	54.8	0	0	0	0	110.6	E562 Q563	E562-T572 WeakPolarHBondContact CA-O 3.35Å; Q563-T572 PolarHBondContact N-O 3.38Å; Q563-T572 PolarHBondContact O-N 3.1Å; Q563-T572 PolarHBondContact O-OG1 2.96Å
573	M	92.7	Very high	87.4	Confident	92 Å²	92	49 Å²	49	45%	0.453	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.4	172.4	-73.6	-59.7	-45.5	0	0	110	L522 I523 Q560 V561 E562	L522-M573 HydrophobicContact CD1-CG 3.78Å; L522-M573 HydrophobicContact CD1-SD 3.93Å; I523-M573 HydrophobicContact CD1-SD 4.19Å; Q560-M573 HydrophobicContact CB-CE 3.92Å; Q560-M573 HydrophobicContact CG-CE 3.96Å; V561-M573 WeakPolarHBondContact O-CE 3.34Å; E562-M573 HydrophobicContact CG-SD 3.73Å
574	V	93.8	Very high	86.9	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.085	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	177.8	168.8	-58.2	0	0	0	0	110.2	Y538 V561 Q563	Y538-V574 HydrophobicContact CD1-CG2 4.4Å; Y538-V574 HydrophobicContact CE1-CG1 4.32Å; Y538-V574 HydrophobicContact CE1-CG2 4.33Å; V561-V574 HydrophobicContact CB-CG2 3.71Å; V561-V574 HydrophobicContact CG1-CG2 3.45Å; V561-V574 VanDerWaalsContact CG1-CG2 3.45Å; V561-V574 PolarHBondContact O-N 3.22Å; V561-V574 VanDerWaalsContact O-N 3.12Å; Q563-V574 HydrophobicContact CB-CG1 3.81Å
575	A	91.4	Very high	86.6	Confident	19 Å²	19	47.9 Å²	47.9	16%	0.157	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-57.9	136.7	-175.8	0	0	0	0	0	112.1	Y612 N617 W619	A575-Y612 HydrophobicContact CB-CE2 4.39Å; A575-N617 WeakPolarHBondContact CB-O 3.21Å; A575-N617 VanDerWaalsContact CB-OD1 3.23Å; A575-N617 WeakPolarHBondContact CB-OD1 3.27Å; A575-N617 PolarHBondContact N-OD1 2.92Å; A575-W619 PolarHBondContact O-NE1 2.83Å
576	P	90.6	Very high	86.8	Confident	79 Å²	79	45.8 Å²	45.8	51%	0.513	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-72.6	153.1	-179.1	30.6	-35.5	0	0	0	111.7	K559 W619	K559-P576 HydrophobicContact CB-CB 4.08Å; K559-P576 CarbonylContact O-C 3.58Å; K559-P576 VanDerWaalsContact O-CA 3.23Å; K559-P576 WeakPolarHBondContact O-CA 3.34Å; K559-P576 WeakPolarHBondContact O-CB 3.49Å; P576-W619 VanDerWaalsContact C-CD1 3.47Å
577	L	88.3	Confident	87.1	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-54	150.3	169.2	-68.4	151.4	0	0	0	111.2	V540 K559 V561 E579 V581 Q610 W619	V540-L577 HydrophobicContact CG1-CD1 3.86Å; V540-L577 HydrophobicContact CG1-CD2 3.91Å; V540-L577 HydrophobicContact CG1-CG 4.22Å; K559-L577 HydrophobicContact CB-CB 4.45Å; K559-L577 PolarHBondContact O-N 3.43Å; V561-L577 HydrophobicContact CG2-CD1 4.11Å; V561-L577 HydrophobicContact CG2-CG 3.82Å; L577-E579 WeakPolarHBondContact CB-O 3.5Å; L577-V581 HydrophobicContact CD1-CG2 3.63Å; L577-V581 HydrophobicContact CD2-CG2 4.19Å; L577-Q610 HydrophobicContact CD2-CB 4.35Å; L577-W619 HydrophobicContact CD2-CD2 3.87Å; L577-W619 HydrophobicContact CD2-CE3 3.82Å; L577-W619 HydrophobicContact CD2-CH2 3.76Å; L577-W619 HydrophobicContact CD2-CZ2 3.82Å; L577-W619 HydrophobicContact CD2-CZ3 3.76Å; L577-W619 HydrophobicContact CG-CZ2 4.33Å
578	R	85.3	Confident	87.4	Confident	138 Å²	138	41 Å²	41	52%	0.521	22%	0.224	S	C	.	.	S	Bend	trans	-63.6	-47.2	172.4	-63.2	-70.3	-176.2	143.8	2.2	109.9	K559 W619 V621	K559-R578 WeakPolarHBondContact CE-O 3.38Å; K559-R578 PolarHBondContact NZ-O 3.01Å; R578-W619 HydrophobicContact CG-CB 4.25Å; R578-W619 VanDerWaalsContact CZ-O 3.3Å; R578-W619 PolarHBondContact NE-O 2.85Å; R578-W619 PolarHBondContact NH2-O 3Å; R578-V621 HydrophobicContact CG-CG2 4.31Å
579	E	80.8	Confident	87.6	Confident	50 Å²	50	38.7 Å²	38.7	23%	0.234	20%	0.204	C	C	.	.	S	Bend	trans	-123.3	135	178.5	-75.3	167.9	-153.1	0	0	109.8	L577 V581 K608 Q610	L577-E579 WeakPolarHBondContact CB-O 3.5Å; E579-V581 PolarHBondContact O-N 3.41Å; E579-K608 VanDerWaalsContact CD-NZ 3.3Å; E579-K608 IonicContact OE1-NZ 3.78Å; E579-K608 PolarHBondContact OE1-NZ 3.32Å; E579-K608 WeakPolarHBondContact OE2-CD 3.28Å; E579-K608 IonicContact OE2-NZ 2.54Å; E579-K608 PolarHBondContact OE2-NZ 3.12Å; E579-Q610 PolarHBondContact O-NE2 3.33Å
580	G	79.4	Confident	87.1	Confident	5 Å²	5	39.2 Å²	39.2	5%	0.052	20%	0.202	C	C	.	.			trans	-72.1	118.2	-177.3	0	0	0	0	0	109.4	L558 S600	L558-G580 WeakPolarHBondContact O-CA 3.44Å; G580-S600 WeakPolarHBondContact O-CB 3.41Å
581	V	81.8	Confident	86.6	Confident	5 Å²	5	38 Å²	38	3%	0.03	20%	0.201	C	C	.	.			trans	-110.4	145.1	-177.7	-74	0	0	0	0	110.7	G541 G542 L577 E579 A584 L606	G541-V581 CarbonylContact C-O 3.47Å; G541-V581 WeakPolarHBondContact CA-O 3.45Å; G542-V581 PolarHBondContact N-O 3.32Å; L577-V581 HydrophobicContact CD1-CG2 3.63Å; L577-V581 HydrophobicContact CD2-CG2 4.19Å; E579-V581 PolarHBondContact O-N 3.41Å; V581-A584 HydrophobicContact CB-CB 3.9Å; V581-A584 HydrophobicContact CG1-CB 4.48Å; V581-A584 HydrophobicContact CG2-CB 4.1Å; V581-L606 HydrophobicContact CG1-CD1 3.52Å
582	S	82.1	Confident	86.1	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-139.5	146.4	172.3	51	0	0	0	0	109	H543 A584 G598 T599	H543-S582 WeakPolarHBondContact CE1-CB 3.45Å; H543-S582 PolarHBondContact CE1-OG 2.86Å; H543-S582 PolarHBondContact NE2-OG 2.81Å; S582-A584 PolarHBondContact O-N 2.85Å; S582-G598 CarbonylContact O-C 3.55Å; S582-G598 WeakPolarHBondContact O-CA 3.48Å; S582-T599 PolarHBondContact N-O 2.85Å; S582-T599 PolarHBondContact O-N 2.84Å; S582-T599 PolarHBondContact O-OG1 3.39Å; S582-T599 PolarHBondContact OG-O 3.11Å; S582-T599 PolarHBondContact OG-OG1 2.8Å
583	N	80.3	Confident	85.9	Confident	26 Å²	26	37.7 Å²	37.7	14%	0.139	20%	0.195	C	C	.	.	S	Bend	trans	53.3	34.4	-172.4	-53.7	-55.7	0	0	0	113.3	G527 Y631	G527-N583 PolarHBondContact O-N 3.05Å; N583-Y631 HydrophobicContact CB-CD1 3.75Å; N583-Y631 HydrophobicContact CB-CE1 3.74Å
584	A	84.6	Confident	85.8	Confident	12 Å²	12	33.5 Å²	33.5	10%	0.099	18%	0.175	C	C	.	.			trans	-92.8	144.7	173.6	0	0	0	0	0	110.1	V581 S582 F596 G597	V581-A584 HydrophobicContact CB-CB 3.9Å; V581-A584 HydrophobicContact CG1-CB 4.48Å; V581-A584 HydrophobicContact CG2-CB 4.1Å; S582-A584 PolarHBondContact O-N 2.85Å; A584-F596 WeakPolarHBondContact CA-O 3.3Å; A584-G597 WeakPolarHBondContact CB-O 3.46Å
585	A	88	Confident	85.6	Confident	9 Å²	9	33 Å²	33	7%	0.074	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.5	174.3	0	0	0	0	0	109.4	A595 F596 A634	A585-A595 WeakPolarHBondContact O-CA 3.13Å; A585-F596 PolarHBondContact N-O 3.42Å; A585-F596 PolarHBondContact O-N 2.85Å; A585-A634 HydrophobicContact CB-CB 3.52Å
586	V	90.7	Very high	85.4	Confident	16 Å²	16	32 Å²	32	10%	0.097	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.6	-174.8	179.7	0	0	0	0	109.3	A531 V540 F594 A595	A531-V586 HydrophobicContact CB-CG1 4.12Å; V540-V586 HydrophobicContact CB-CG1 4.14Å; V540-V586 HydrophobicContact CB-CG2 4.08Å; V540-V586 HydrophobicContact CG1-CG2 4.13Å; V540-V586 HydrophobicContact CG2-CG1 3.92Å; V586-F594 WeakPolarHBondContact CA-O 3.47Å; V586-A595 HydrophobicContact CG2-CB 4.07Å
587	V	90.3	Very high	85	Confident	13 Å²	13	28.3 Å²	28.3	8%	0.079	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.7	-177.6	-69.3	0	0	0	0	111.4	L593 F594 F596 A634 V636 I641	V587-L593 WeakPolarHBondContact O-CA 3.49Å; V587-F594 HydrophobicContact CG2-CB 4.43Å; V587-F594 PolarHBondContact N-O 3.24Å; V587-F594 PolarHBondContact O-N 3.04Å; V587-F596 HydrophobicContact CG2-CD2 4.31Å; V587-F596 HydrophobicContact CG2-CE2 3.74Å; V587-A634 HydrophobicContact CG1-CB 3.84Å; V587-V636 HydrophobicContact CB-CG2 3.62Å; V587-V636 HydrophobicContact CG1-CG2 4.01Å; V587-V636 HydrophobicContact CG2-CG2 3.99Å; V587-I641 HydrophobicContact CG2-CD1 3.89Å; V587-I641 HydrophobicContact CG2-CG1 4.17Å; V587-I641 HydrophobicContact CG2-CG2 3.91Å
588	S	87.1	Confident	84.6	Confident	33 Å²	33	28.1 Å²	28.1	23%	0.231	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137	174.2	55.2	0	0	0	0	111.4	E532 K592 V636	E532-S588 WeakPolarHBondContact O-CB 3.49Å; E532-S588 PolarHBondContact O-OG 3.33Å; S588-K592 WeakPolarHBondContact CA-O 3.21Å; S588-V636 WeakPolarHBondContact O-CG2 3.27Å
589	V	83.9	Confident	84.1	Confident	10 Å²	10	22.1 Å²	22.1	6%	0.061	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	144.6	170.5	77.2	0	0	0	0	109.4	L591 K592 F594 V636 I641	V589-L591 PolarHBondContact O-N 2.87Å; V589-L591 VanDerWaalsContact O-N 3.13Å; V589-K592 PolarHBondContact N-O 2.82Å; V589-K592 PolarHBondContact O-N 2.68Å; V589-F594 HydrophobicContact CG1-CD2 3.85Å; V589-F594 HydrophobicContact CG1-CE2 3.53Å; V589-F594 HydrophobicContact CG1-CZ 4.43Å; V589-V636 HydrophobicContact CB-CG1 4Å; V589-V636 HydrophobicContact CG2-CG1 3.64Å; V589-I641 HydrophobicContact CB-CD1 4.26Å; V589-I641 HydrophobicContact CB-CG1 4.24Å; V589-I641 HydrophobicContact CG1-CD1 3.58Å; V589-I641 HydrophobicContact CG1-CG1 3.97Å
590	K	77.8	Confident	83.7	Confident	91 Å²	91	20.7 Å²	20.7	40%	0.396	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	45.5	179.8	-64.5	-171.4	178.3	-161.7	0	114.1	K592 E661	K590-K592 VanDerWaalsContact C-N 3.27Å; K590-K592 PolarHBondContact O-N 3.2Å; K590-E661 VanDerWaalsContact NZ-CD 3.34Å; K590-E661 IonicContact NZ-OE1 2.85Å; K590-E661 PolarHBondContact NZ-OE1 3.36Å
591	L	80.1	Confident	83	Confident	106 Å²	106	25.5 Å²	25.5	56%	0.555	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	20.7	179.7	-50.6	177.3	0	0	0	115.8	L533 K534 V589 P614	L533-L591 VanDerWaalsContact CD1-C 3.5Å; K534-L591 HydrophobicContact CG-CD2 4.04Å; V589-L591 PolarHBondContact O-N 2.87Å; V589-L591 VanDerWaalsContact O-N 3.13Å; L591-P614 WeakPolarHBondContact O-CD 3.37Å; L591-P614 VanDerWaalsContact O-CG 3.23Å; L591-P614 WeakPolarHBondContact O-CG 3.13Å
592	K	84.8	Confident	82	Confident	69 Å²	69	30.2 Å²	30.2	30%	0.3	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.3	174.1	-57.2	-165	-169.6	-155.7	0	111	S588 V589 K590 F594 Y612 D613	S588-K592 WeakPolarHBondContact CA-O 3.21Å; V589-K592 PolarHBondContact N-O 2.82Å; V589-K592 PolarHBondContact O-N 2.68Å; K590-K592 VanDerWaalsContact C-N 3.27Å; K590-K592 PolarHBondContact O-N 3.2Å; K592-F594 HydrophobicContact CB-CE2 3.95Å; K592-Y612 WeakPolarHBondContact CA-O 3.43Å; K592-Y612 WeakPolarHBondContact CB-O 3.34Å; K592-D613 WeakPolarHBondContact CE-OD2 3.3Å; K592-D613 IonicContact NZ-OD2 2.73Å; K592-D613 PolarHBondContact NZ-OD2 3.39Å
593	L	90.1	Very high	81.1	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.7	170.7	-52.6	173.3	0	0	0	110.3	A531 L533 Y538 V540 V587 C611 Y612 W619	A531-L593 HydrophobicContact CB-CD2 4.15Å; L533-L593 HydrophobicContact CB-CD2 3.83Å; L533-L593 HydrophobicContact CD2-CD2 3.87Å; L533-L593 HydrophobicContact CD2-CG 3.87Å; L533-L593 HydrophobicContact CG-CD2 4.37Å; Y538-L593 HydrophobicContact CD1-CD1 3.71Å; Y538-L593 HydrophobicContact CD2-CD1 4.42Å; Y538-L593 HydrophobicContact CE1-CD1 4.42Å; Y538-L593 HydrophobicContact CG-CD1 3.68Å; V540-L593 HydrophobicContact CG2-CD1 4.32Å; V587-L593 WeakPolarHBondContact O-CA 3.49Å; L593-C611 CarbonylContact O-C 3.55Å; L593-C611 VanDerWaalsContact O-CA 3.31Å; L593-C611 WeakPolarHBondContact O-CA 3.36Å; L593-Y612 HydrophobicContact CD1-CD1 3.89Å; L593-Y612 HydrophobicContact CG-CD1 4.13Å; L593-Y612 PolarHBondContact N-O 3.46Å; L593-Y612 PolarHBondContact O-N 3.49Å; L593-W619 HydrophobicContact CB-CH2 4.33Å
594	F	90.1	Very high	80.2	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.4	171.9	-66.8	-99.7	0	0	0	109.5	V586 V587 V589 K592 F596 V609 Q610 C611 I641 F658 Y663	V586-F594 WeakPolarHBondContact CA-O 3.47Å; V587-F594 HydrophobicContact CG2-CB 4.43Å; V587-F594 PolarHBondContact N-O 3.24Å; V587-F594 PolarHBondContact O-N 3.04Å; V589-F594 HydrophobicContact CG1-CD2 3.85Å; V589-F594 HydrophobicContact CG1-CE2 3.53Å; V589-F594 HydrophobicContact CG1-CZ 4.43Å; K592-F594 HydrophobicContact CB-CE2 3.95Å; F594-F596 HydrophobicContact CB-CD2 4.24Å; F594-F596 HydrophobicContact CB-CE2 3.36Å; F594-F596 HydrophobicContact CB-CZ 3.62Å; F594-F596 HydrophobicContact CD1-CZ 4.26Å; F594-F596 HydrophobicContact CG-CE2 4.37Å; F594-F596 HydrophobicContact CG-CZ 4.2Å; F594-V609 HydrophobicContact CD1-CG1 4.07Å; F594-Q610 CarbonylContact C-O 3.59Å; F594-Q610 WeakPolarHBondContact CA-O 3.39Å; F594-C611 HydrophobicContact CD1-CB 3.93Å; F594-C611 HydrophobicContact CE1-CB 3.82Å; F594-C611 HydrophobicContact CZ-CB 4.45Å; F594-I641 HydrophobicContact CB-CD1 4.13Å; F594-I641 HydrophobicContact CD2-CD1 3.89Å; F594-I641 HydrophobicContact CE2-CD1 4.47Å; F594-I641 HydrophobicContact CG-CD1 3.97Å; F594-F658 HydrophobicContact CD1-CE1 4Å; F594-F658 AromaticContact CE1-CE1 3.95Å; F594-F658 HydrophobicContact CE1-CE1 3.95Å; F594-Y663 HydrophobicContact CE1-CE1 4.08Å; F594-Y663 HydrophobicContact CZ-CE1 4.37Å
595	A	90.3	Very high	79.2	Confident	2 Å²	2	40.6 Å²	40.6	2%	0.017	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.2	172.6	0	0	0	0	0	109.4	A585 V586 Q610 W619	A585-A595 WeakPolarHBondContact O-CA 3.13Å; V586-A595 HydrophobicContact CG2-CB 4.07Å; A595-Q610 HydrophobicContact CB-CB 4.42Å; A595-Q610 PolarHBondContact N-O 2.8Å; A595-Q610 PolarHBondContact O-N 2.97Å; A595-W619 HydrophobicContact CB-CZ3 4.28Å
596	F	87.9	Confident	78.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.4	-174.5	-61.4	-86.7	0	0	0	111.4	A584 A585 V587 F594 V609 I641 V643 F658 W665	A584-F596 WeakPolarHBondContact CA-O 3.3Å; A585-F596 PolarHBondContact N-O 3.42Å; A585-F596 PolarHBondContact O-N 2.85Å; V587-F596 HydrophobicContact CG2-CD2 4.31Å; V587-F596 HydrophobicContact CG2-CE2 3.74Å; F594-F596 HydrophobicContact CB-CD2 4.24Å; F594-F596 HydrophobicContact CB-CE2 3.36Å; F594-F596 HydrophobicContact CB-CZ 3.62Å; F594-F596 HydrophobicContact CD1-CZ 4.26Å; F594-F596 HydrophobicContact CG-CE2 4.37Å; F594-F596 HydrophobicContact CG-CZ 4.2Å; F596-V609 HydrophobicContact CD1-CB 4.38Å; F596-V609 HydrophobicContact CD1-CG1 3.83Å; F596-V609 HydrophobicContact CD1-CG2 3.82Å; F596-V609 HydrophobicContact CE1-CB 4.35Å; F596-V609 HydrophobicContact CE1-CG1 3.49Å; F596-V609 VanDerWaalsContact CE1-CG1 3.49Å; F596-V609 HydrophobicContact CE1-CG2 3.91Å; F596-V609 HydrophobicContact CZ-CG1 4.09Å; F596-I641 HydrophobicContact CE2-CD1 3.95Å; F596-I641 HydrophobicContact CE2-CG2 3.8Å; F596-I641 HydrophobicContact CZ-CD1 3.79Å; F596-I641 HydrophobicContact CZ-CG2 3.94Å; F596-V643 HydrophobicContact CD1-CG2 4.24Å; F596-V643 HydrophobicContact CD2-CG2 4.3Å; F596-V643 HydrophobicContact CG-CG2 4.12Å; F596-F658 AromaticContact CE1-CD1 3.82Å; F596-F658 HydrophobicContact CE1-CD1 3.82Å; F596-F658 HydrophobicContact CE1-CE1 4.02Å; F596-F658 HydrophobicContact CE1-CG 4.14Å; F596-F658 AromaticContact CZ-CD1 3.71Å; F596-F658 HydrophobicContact CZ-CD1 3.71Å; F596-F658 HydrophobicContact CZ-CE1 4.02Å; F596-F658 HydrophobicContact CZ-CG 4.37Å; F596-W665 AromaticContact CD1-CH2 3.59Å; F596-W665 HydrophobicContact CD1-CH2 3.59Å; F596-W665 AromaticContact CD1-CZ2 3.87Å; F596-W665 HydrophobicContact CD1-CZ2 3.87Å; F596-W665 AromaticContact CE1-CH2 3.55Å; F596-W665 HydrophobicContact CE1-CH2 3.55Å; F596-W665 AromaticContact CE1-CZ2 3.79Å; F596-W665 HydrophobicContact CE1-CZ2 3.79Å
597	G	82.3	Confident	77.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.			trans	68.5	-148.5	172.5	0	0	0	0	0	114.1	A584 L606	A584-G597 WeakPolarHBondContact CB-O 3.46Å; G597-L606 WeakPolarHBondContact CA-O 3.26Å
598	G	78.8	Confident	77	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.			trans	94.5	-176.6	179.5	0	0	0	0	0	113.8	S582 L606 W629	S582-G598 CarbonylContact O-C 3.55Å; S582-G598 WeakPolarHBondContact O-CA 3.48Å; G598-L606 PolarHBondContact O-N 2.86Å; G598-W629 PolarHBondContact N-O 2.97Å
599	T	74.4	Confident	77.1	Confident	12 Å²	12	43.4 Å²	43.4	7%	0.074	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-111.4	146.7	-178.1	56.5	0	0	0	0	112.1	S582 D604 R630	S582-T599 PolarHBondContact N-O 2.85Å; S582-T599 PolarHBondContact O-N 2.84Å; S582-T599 PolarHBondContact O-OG1 3.39Å; S582-T599 PolarHBondContact OG-O 3.11Å; S582-T599 PolarHBondContact OG-OG1 2.8Å; T599-D604 WeakPolarHBondContact CG2-O 3.46Å; T599-R630 VanDerWaalsContact CG2-CD 3.41Å; T599-R630 HydrophobicContact CG2-CG 3.73Å
600	S	72.9	Confident	77.4	Confident	20 Å²	20	43.2 Å²	43.2	14%	0.14	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-128.1	155.6	172.1	165.1	0	0	0	0	110.1	G580 T602 H603	G580-S600 WeakPolarHBondContact O-CB 3.41Å; S600-T602 PolarHBondContact O-N 3.26Å; S600-T602 VanDerWaalsContact O-N 3.08Å; S600-T602 PolarHBondContact OG-N 3.16Å; S600-T602 PolarHBondContact OG-OG1 3.27Å; S600-H603 PolarHBondContact N-O 3.37Å; S600-H603 CarbonylContact O-C 3.37Å; S600-H603 PolarHBondContact O-N 2.96Å; S600-H603 VanDerWaalsContact O-N 3.12Å
601	V	65.5	Low	78.1	Confident	106 Å²	106	39 Å²	39	64%	0.642	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-30	172.1	-173.2	0	0	0	0	112.7
602	T	60.4	Low	78.7	Confident	104 Å²	104	34.1 Å²	34.1	64%	0.638	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-17.3	-179.1	61.3	0	0	0	0	114.7	S600	S600-T602 PolarHBondContact O-N 3.26Å; S600-T602 VanDerWaalsContact O-N 3.08Å; S600-T602 PolarHBondContact OG-N 3.16Å; S600-T602 PolarHBondContact OG-OG1 3.27Å
603	H	61.8	Low	78.8	Confident	103 Å²	103	31.7 Å²	31.7	48%	0.477	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-146.1	115.2	-174.4	-65.4	-53	0	0	0	110	S600 K605 L606	S600-H603 PolarHBondContact N-O 3.37Å; S600-H603 CarbonylContact O-C 3.37Å; S600-H603 PolarHBondContact O-N 2.96Å; S600-H603 VanDerWaalsContact O-N 3.12Å; H603-K605 PolarHBondContact O-N 3Å; H603-L606 HydrophobicContact CB-CD2 3.92Å
604	D	61.5	Low	78.7	Confident	101 Å²	101	33 Å²	33	54%	0.54	18%	0.181	S	C	.	.	S	Bend	trans	-63	-20.2	179	-176	49.1	0	0	0	113.1	T599 R630	T599-D604 WeakPolarHBondContact CG2-O 3.46Å; D604-R630 IonicContact OD1-NH1 2.66Å; D604-R630 PolarHBondContact OD1-NH1 3.4Å
605	K	65.3	Low	78.5	Confident	54 Å²	54	40.9 Å²	40.9	24%	0.235	22%	0.218	C	C	.	.	S	Bend	trans	-140.9	130.4	170.7	-43	178.3	-171.5	176.6	0	110.5	H603 P628 E649	H603-K605 PolarHBondContact O-N 3Å; K605-P628 HydrophobicContact CB-CB 3.53Å; K605-P628 HydrophobicContact CD-CB 3.79Å; K605-P628 HydrophobicContact CD-CG 4.07Å; K605-P628 HydrophobicContact CG-CB 4.28Å; K605-E649 IonicContact NZ-OE1 2.69Å; K605-E649 PolarHBondContact NZ-OE1 2.92Å
606	L	67.3	Low	78.4	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.3	177.1	-72.9	171.1	0	0	0	111.6	V581 G597 G598 H603 K608	V581-L606 HydrophobicContact CG1-CD1 3.52Å; G597-L606 WeakPolarHBondContact CA-O 3.26Å; G598-L606 PolarHBondContact O-N 2.86Å; H603-L606 HydrophobicContact CB-CD2 3.92Å; L606-K608 VanDerWaalsContact C-N 3.3Å; L606-K608 PolarHBondContact O-N 2.85Å
607	P	72.3	Confident	78.6	Confident	55 Å²	55	49.4 Å²	49.4	36%	0.357	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	17.3	175.7	37.4	-36.7	0	0	0	112.6	S624 C625	P607-S624 CarbonylContact O-C 3.58Å; P607-S624 WeakPolarHBondContact O-CA 3.35Å; P607-S624 WeakPolarHBondContact O-CB 3.07Å; P607-C625 PolarHBondContact O-N 2.84Å
608	K	82.8	Confident	79	Confident	71 Å²	71	55.1 Å²	55.1	31%	0.309	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.5	-174.2	-65.9	179.4	-170.2	168.1	0	111.7	E579 L606 V621	E579-K608 VanDerWaalsContact CD-NZ 3.3Å; E579-K608 IonicContact OE1-NZ 3.78Å; E579-K608 PolarHBondContact OE1-NZ 3.32Å; E579-K608 WeakPolarHBondContact OE2-CD 3.28Å; E579-K608 IonicContact OE2-NZ 2.54Å; E579-K608 PolarHBondContact OE2-NZ 3.12Å; L606-K608 VanDerWaalsContact C-N 3.3Å; L606-K608 PolarHBondContact O-N 2.85Å; K608-V621 HydrophobicContact CB-CG1 4.1Å; K608-V621 HydrophobicContact CD-CG1 4.36Å; K608-V621 HydrophobicContact CG-CG1 4.32Å
609	V	88	Confident	79.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.5	167.4	-174.7	0	0	0	0	107.9	F594 F596 V621 P622 A623 F658 W665	F594-V609 HydrophobicContact CD1-CG1 4.07Å; F596-V609 HydrophobicContact CD1-CB 4.38Å; F596-V609 HydrophobicContact CD1-CG1 3.83Å; F596-V609 HydrophobicContact CD1-CG2 3.82Å; F596-V609 HydrophobicContact CE1-CB 4.35Å; F596-V609 HydrophobicContact CE1-CG1 3.49Å; F596-V609 VanDerWaalsContact CE1-CG1 3.49Å; F596-V609 HydrophobicContact CE1-CG2 3.91Å; F596-V609 HydrophobicContact CZ-CG1 4.09Å; V609-V621 WeakPolarHBondContact O-CA 3.27Å; V609-V621 WeakPolarHBondContact O-CG1 3.23Å; V609-P622 WeakPolarHBondContact O-CD 3.32Å; V609-A623 HydrophobicContact CB-CB 4.5Å; V609-A623 WeakPolarHBondContact CB-O 3.36Å; V609-A623 HydrophobicContact CG2-CB 4.28Å; V609-A623 PolarHBondContact N-O 2.99Å; V609-F658 HydrophobicContact CG1-CE1 4.47Å; V609-F658 HydrophobicContact CG1-CZ 4.32Å; V609-W665 HydrophobicContact CG2-CZ2 3.83Å
610	Q	91	Very high	80.5	Confident	5 Å²	5	57 Å²	57	2%	0.023	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.4	173.1	-63.1	-172	78.5	0	0	109.4	L577 E579 F594 A595 W619 T620 V621	L577-Q610 HydrophobicContact CD2-CB 4.35Å; E579-Q610 PolarHBondContact O-NE2 3.33Å; F594-Q610 CarbonylContact C-O 3.59Å; F594-Q610 WeakPolarHBondContact CA-O 3.39Å; A595-Q610 HydrophobicContact CB-CB 4.42Å; A595-Q610 PolarHBondContact N-O 2.8Å; A595-Q610 PolarHBondContact O-N 2.97Å; Q610-W619 HydrophobicContact CB-CE3 3.79Å; Q610-W619 HydrophobicContact CB-CZ3 4.03Å; Q610-T620 WeakPolarHBondContact CA-O 3.4Å; Q610-V621 HydrophobicContact CG-CG2 4.39Å
611	C	91.9	Very high	81.3	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.7	-180	176.9	0	0	0	0	110.7	L593 F594 W619 T620 P622	L593-C611 CarbonylContact O-C 3.55Å; L593-C611 VanDerWaalsContact O-CA 3.31Å; L593-C611 WeakPolarHBondContact O-CA 3.36Å; F594-C611 HydrophobicContact CD1-CB 3.93Å; F594-C611 HydrophobicContact CE1-CB 3.82Å; F594-C611 HydrophobicContact CZ-CB 4.45Å; C611-W619 CarbonylContact O-C 3.57Å; C611-W619 WeakPolarHBondContact O-CA 3.42Å; C611-T620 PolarHBondContact N-O 3.45Å; C611-T620 PolarHBondContact O-N 3.27Å; C611-T620 PolarHBondContact O-OG1 2.97Å; C611-P622 HydrophobicContact CB-CG 3.76Å
612	Y	92.3	Very high	82.3	Confident	5 Å²	5	56 Å²	56	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.9	176.6	179.5	-116.2	0	0	0	110.8	Y538 A575 K592 L593 P614 N617 W619	Y538-Y612 AromaticContact CE1-CE1 3.8Å; Y538-Y612 HydrophobicContact CE1-CE1 3.8Å; A575-Y612 HydrophobicContact CB-CE2 4.39Å; K592-Y612 WeakPolarHBondContact CA-O 3.43Å; K592-Y612 WeakPolarHBondContact CB-O 3.34Å; L593-Y612 HydrophobicContact CD1-CD1 3.89Å; L593-Y612 HydrophobicContact CG-CD1 4.13Å; L593-Y612 PolarHBondContact N-O 3.46Å; L593-Y612 PolarHBondContact O-N 3.49Å; Y612-P614 HydrophobicContact CD1-CB 4.44Å; Y612-P614 HydrophobicContact CE1-CB 3.83Å; Y612-N617 PolarHBondContact OH-OD1 3.32Å; Y612-W619 AromaticContact CD2-CD1 3.73Å; Y612-W619 HydrophobicContact CD2-CD2 4.1Å; Y612-W619 AromaticContact CD2-CE2 3.74Å; Y612-W619 HydrophobicContact CD2-CG 4.12Å; Y612-W619 HydrophobicContact CD2-CZ2 4.31Å; Y612-W619 AromaticContact CD2-NE1 3.48Å; Y612-W619 HydrophobicContact CG-CD2 4.32Å; Y612-W619 AromaticContact CG-CE2 3.94Å; Y612-W619 HydrophobicContact CG-CZ2 4.08Å
613	D	88.8	Confident	83.5	Confident	18 Å²	18	52 Å²	52	10%	0.096	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.8	166.3	-159.7	-51.2	0	0	0	110.2	K592 Q615 E616 N617 R618	K592-D613 WeakPolarHBondContact CE-OD2 3.3Å; K592-D613 IonicContact NZ-OD2 2.73Å; K592-D613 PolarHBondContact NZ-OD2 3.39Å; D613-Q615 VanDerWaalsContact C-N 3.32Å; D613-Q615 WeakPolarHBondContact OD1-CB 3.34Å; D613-Q615 PolarHBondContact OD1-N 3.32Å; D613-E616 HydrophobicContact CB-CB 4.27Å; D613-E616 HydrophobicContact CB-CG 4.34Å; D613-E616 PolarHBondContact OD1-N 3.3Å; D613-N617 WeakPolarHBondContact O-CA 3.4Å; D613-N617 PolarHBondContact O-N 2.94Å; D613-R618 PolarHBondContact N-O 3.49Å; D613-R618 PolarHBondContact O-N 2.97Å; D613-R618 VanDerWaalsContact O-N 3.11Å
614	P	86.5	Confident	84.7	Confident	27 Å²	27	50.6 Å²	50.6	18%	0.175	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.3	178.2	33	-38.1	0	0	0	113.6	L533 L591 Y612	L533-P614 HydrophobicContact CD2-CB 4.32Å; L533-P614 HydrophobicContact CD2-CG 4.16Å; L591-P614 WeakPolarHBondContact O-CD 3.37Å; L591-P614 VanDerWaalsContact O-CG 3.23Å; L591-P614 WeakPolarHBondContact O-CG 3.13Å; Y612-P614 HydrophobicContact CD1-CB 4.44Å; Y612-P614 HydrophobicContact CE1-CB 3.83Å
615	Q	87.1	Confident	85.6	Confident	170 Å²	170	46.2 Å²	46.2	79%	0.794	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-39.4	175.5	-65.7	-172.3	-40	0	0	111.1	D613	D613-Q615 VanDerWaalsContact C-N 3.32Å; D613-Q615 WeakPolarHBondContact OD1-CB 3.34Å; D613-Q615 PolarHBondContact OD1-N 3.32Å
616	E	87.7	Confident	86.1	Confident	100 Å²	100	46.8 Å²	46.8	47%	0.467	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.3	174.9	-56.8	-168.3	142.1	0	0	113.4	D613 R618	D613-E616 HydrophobicContact CB-CB 4.27Å; D613-E616 HydrophobicContact CB-CG 4.34Å; D613-E616 PolarHBondContact OD1-N 3.3Å; E616-R618 VanDerWaalsContact C-N 3.33Å; E616-R618 HydrophobicContact CB-CB 3.84Å; E616-R618 PolarHBondContact O-N 3.43Å; E616-R618 IonicContact OE1-CZ 3.86Å; E616-R618 IonicContact OE1-NH2 3.13Å; E616-R618 PolarHBondContact OE1-NH2 2.96Å; E616-R618 IonicContact OE2-CZ 3.77Å; E616-R618 IonicContact OE2-NE 3.14Å; E616-R618 PolarHBondContact OE2-NE 3.05Å; E616-R618 IonicContact OE2-NH2 2.98Å; E616-R618 PolarHBondContact OE2-NH2 3.35Å
617	N	91.2	Very high	86.4	Confident	80 Å²	80	47.1 Å²	47.1	43%	0.428	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	55.8	-166	-174.4	15.3	0	0	0	111	A575 Y612 D613	A575-N617 WeakPolarHBondContact CB-O 3.21Å; A575-N617 VanDerWaalsContact CB-OD1 3.23Å; A575-N617 WeakPolarHBondContact CB-OD1 3.27Å; A575-N617 PolarHBondContact N-OD1 2.92Å; Y612-N617 PolarHBondContact OH-OD1 3.32Å; D613-N617 WeakPolarHBondContact O-CA 3.4Å; D613-N617 PolarHBondContact O-N 2.94Å
618	R	91.9	Very high	86.1	Confident	121 Å²	121	46 Å²	46	46%	0.457	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	135.6	-168.6	-172.2	163.8	66.5	172.6	2.1	113.2	D613 E616	D613-R618 PolarHBondContact N-O 3.49Å; D613-R618 PolarHBondContact O-N 2.97Å; D613-R618 VanDerWaalsContact O-N 3.11Å; E616-R618 VanDerWaalsContact C-N 3.33Å; E616-R618 HydrophobicContact CB-CB 3.84Å; E616-R618 PolarHBondContact O-N 3.43Å; E616-R618 IonicContact OE1-CZ 3.86Å; E616-R618 IonicContact OE1-NH2 3.13Å; E616-R618 PolarHBondContact OE1-NH2 2.96Å; E616-R618 IonicContact OE2-CZ 3.77Å; E616-R618 IonicContact OE2-NE 3.14Å; E616-R618 PolarHBondContact OE2-NE 3.05Å; E616-R618 IonicContact OE2-NH2 2.98Å; E616-R618 PolarHBondContact OE2-NH2 3.35Å
619	W	92.1	Very high	85.6	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.011	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.3	169.8	-69.4	88.7	0	0	0	111.9	V540 V561 A575 P576 L577 R578 L593 A595 Q610 C611 Y612	V540-W619 HydrophobicContact CG1-CH2 3.99Å; V540-W619 HydrophobicContact CG1-CZ2 4.2Å; V540-W619 HydrophobicContact CG2-CH2 4.26Å; V540-W619 HydrophobicContact CG2-CZ2 4.27Å; V561-W619 HydrophobicContact CG1-CZ2 4.32Å; V561-W619 HydrophobicContact CG2-CZ2 3.82Å; A575-W619 PolarHBondContact O-NE1 2.83Å; P576-W619 VanDerWaalsContact C-CD1 3.47Å; L577-W619 HydrophobicContact CD2-CD2 3.87Å; L577-W619 HydrophobicContact CD2-CE3 3.82Å; L577-W619 HydrophobicContact CD2-CH2 3.76Å; L577-W619 HydrophobicContact CD2-CZ2 3.82Å; L577-W619 HydrophobicContact CD2-CZ3 3.76Å; L577-W619 HydrophobicContact CG-CZ2 4.33Å; R578-W619 HydrophobicContact CG-CB 4.25Å; R578-W619 VanDerWaalsContact CZ-O 3.3Å; R578-W619 PolarHBondContact NE-O 2.85Å; R578-W619 PolarHBondContact NH2-O 3Å; L593-W619 HydrophobicContact CB-CH2 4.33Å; A595-W619 HydrophobicContact CB-CZ3 4.28Å; Q610-W619 HydrophobicContact CB-CE3 3.79Å; Q610-W619 HydrophobicContact CB-CZ3 4.03Å; C611-W619 CarbonylContact O-C 3.57Å; C611-W619 WeakPolarHBondContact O-CA 3.42Å; Y612-W619 AromaticContact CD2-CD1 3.73Å; Y612-W619 HydrophobicContact CD2-CD2 4.1Å; Y612-W619 AromaticContact CD2-CE2 3.74Å; Y612-W619 HydrophobicContact CD2-CG 4.12Å; Y612-W619 HydrophobicContact CD2-CZ2 4.31Å; Y612-W619 AromaticContact CD2-NE1 3.48Å; Y612-W619 HydrophobicContact CG-CD2 4.32Å; Y612-W619 AromaticContact CG-CE2 3.94Å; Y612-W619 HydrophobicContact CG-CZ2 4.08Å
620	T	91.4	Very high	84.8	Confident	48 Å²	48	45.2 Å²	45.2	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	166.7	177	61	0	0	0	0	109.9	Q610 C611	Q610-T620 WeakPolarHBondContact CA-O 3.4Å; C611-T620 PolarHBondContact N-O 3.45Å; C611-T620 PolarHBondContact O-N 3.27Å; C611-T620 PolarHBondContact O-OG1 2.97Å
621	V	90.3	Very high	84	Confident	66 Å²	66	47.5 Å²	47.5	40%	0.4	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	83.2	177.1	-175.7	0	0	0	0	108.1	R578 K608 V609 Q610	R578-V621 HydrophobicContact CG-CG2 4.31Å; K608-V621 HydrophobicContact CB-CG1 4.1Å; K608-V621 HydrophobicContact CD-CG1 4.36Å; K608-V621 HydrophobicContact CG-CG1 4.32Å; V609-V621 WeakPolarHBondContact O-CA 3.27Å; V609-V621 WeakPolarHBondContact O-CG1 3.23Å; Q610-V621 HydrophobicContact CG-CG2 4.39Å
622	P	86.1	Confident	83.4	Confident	40 Å²	40	47.9 Å²	47.9	26%	0.26	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-23.1	-172.9	28.9	-36.4	0	0	0	114.1	V609 C611 Y663	V609-P622 WeakPolarHBondContact O-CD 3.32Å; C611-P622 HydrophobicContact CB-CG 3.76Å; P622-Y663 HydrophobicContact CB-CD1 3.86Å; P622-Y663 HydrophobicContact CB-CD2 3.78Å; P622-Y663 HydrophobicContact CB-CE1 3.8Å; P622-Y663 HydrophobicContact CB-CE2 3.71Å; P622-Y663 HydrophobicContact CB-CG 3.84Å; P622-Y663 HydrophobicContact CG-CD1 4.12Å; P622-Y663 HydrophobicContact CG-CE1 4.01Å
623	A	87.2	Confident	83.1	Confident	18 Å²	18	47.8 Å²	47.8	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	168.9	-176.8	0	0	0	0	0	112.8	V609 F658	V609-A623 HydrophobicContact CB-CB 4.5Å; V609-A623 WeakPolarHBondContact CB-O 3.36Å; V609-A623 HydrophobicContact CG2-CB 4.28Å; V609-A623 PolarHBondContact N-O 2.99Å; A623-F658 HydrophobicContact CB-CE2 4.11Å; A623-F658 HydrophobicContact CB-CZ 4.28Å
624	S	85.4	Confident	83	Confident	74 Å²	74	47.7 Å²	47.7	52%	0.517	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	150.1	166.1	-62	0	0	0	0	110.5	P607 W665	P607-S624 CarbonylContact O-C 3.58Å; P607-S624 WeakPolarHBondContact O-CA 3.35Å; P607-S624 WeakPolarHBondContact O-CB 3.07Å; S624-W665 PolarHBondContact O-NE1 2.92Å
625	C	81	Confident	83	Confident	10 Å²	10	46.6 Å²	46.6	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	146.9	169.6	-55.2	0	0	0	0	110	P607 Q627 W629	P607-C625 PolarHBondContact O-N 2.84Å; C625-Q627 VanDerWaalsContact CB-O 3.27Å; C625-Q627 WeakPolarHBondContact CB-O 3.5Å; C625-Q627 PolarHBondContact O-N 3.06Å; C625-W629 HydrophobicContact CB-CD2 4.31Å; C625-W629 HydrophobicContact CB-CE3 3.52Å; C625-W629 HydrophobicContact CB-CH2 4.39Å; C625-W629 HydrophobicContact CB-CZ3 3.56Å; C625-W629 VanDerWaalsContact SG-CE3 3.53Å
626	P	76.5	Confident	82.7	Confident	65 Å²	65	40.3 Å²	40.3	42%	0.422	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	-23.8	178.7	-20.9	34.7	0	0	0	113.3	W629 Y656 W665	P626-W629 VanDerWaalsContact CD-CH2 3.45Å; P626-W629 HydrophobicContact CG-CH2 4.31Å; P626-Y656 HydrophobicContact CB-CE1 4.11Å; P626-Y656 HydrophobicContact CG-CD1 4.01Å; P626-Y656 HydrophobicContact CG-CE1 4.11Å; P626-W665 HydrophobicContact CG-CB 3.68Å; P626-W665 HydrophobicContact CG-CD2 3.71Å; P626-W665 HydrophobicContact CG-CE3 4.23Å; P626-W665 HydrophobicContact CG-CG 3.44Å; P626-W665 VanDerWaalsContact CG-CG 3.44Å
627	Q	72.3	Confident	82	Confident	11 Å²	11	36.4 Å²	36.4	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.8	175.6	56.8	-177.8	-17.5	0	0	109.4	C625 W629 T648 Y656	C625-Q627 VanDerWaalsContact CB-O 3.27Å; C625-Q627 WeakPolarHBondContact CB-O 3.5Å; C625-Q627 PolarHBondContact O-N 3.06Å; Q627-W629 HydrophobicContact CG-CZ2 4.25Å; Q627-W629 PolarHBondContact O-N 3.48Å; Q627-T648 HydrophobicContact CG-CG2 4.25Å; Q627-Y656 VanDerWaalsContact NE2-CE2 3.32Å
628	P	66.6	Low	80.9	Confident	31 Å²	31	35.6 Å²	35.6	20%	0.201	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	127.5	173.1	24.1	-32.4	0	0	0	110.9	K605	K605-P628 HydrophobicContact CB-CB 3.53Å; K605-P628 HydrophobicContact CD-CB 3.79Å; K605-P628 HydrophobicContact CD-CG 4.07Å; K605-P628 HydrophobicContact CG-CB 4.28Å
629	W	73.3	Confident	80	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.8	-173.6	-82.4	-42.9	0	0	0	113	G598 C625 P626 Q627 T632 V643 T648 Y656 W665	G598-W629 PolarHBondContact N-O 2.97Å; C625-W629 HydrophobicContact CB-CD2 4.31Å; C625-W629 HydrophobicContact CB-CE3 3.52Å; C625-W629 HydrophobicContact CB-CH2 4.39Å; C625-W629 HydrophobicContact CB-CZ3 3.56Å; C625-W629 VanDerWaalsContact SG-CE3 3.53Å; P626-W629 VanDerWaalsContact CD-CH2 3.45Å; P626-W629 HydrophobicContact CG-CH2 4.31Å; Q627-W629 HydrophobicContact CG-CZ2 4.25Å; Q627-W629 PolarHBondContact O-N 3.48Å; W629-T632 HydrophobicContact CB-CG2 3.62Å; W629-T632 HydrophobicContact CD2-CG2 4.14Å; W629-T632 HydrophobicContact CG-CG2 3.51Å; W629-V643 HydrophobicContact CD2-CG1 4.23Å; W629-V643 HydrophobicContact CE3-CG1 3.97Å; W629-V643 HydrophobicContact CH2-CB 4.23Å; W629-V643 HydrophobicContact CH2-CG1 4.09Å; W629-V643 HydrophobicContact CZ2-CG1 4.32Å; W629-V643 HydrophobicContact CZ3-CB 4.32Å; W629-V643 HydrophobicContact CZ3-CG1 3.9Å; W629-T648 VanDerWaalsContact CD1-CG2 3.42Å; W629-Y656 HydrophobicContact CH2-CD2 4.36Å; W629-Y656 HydrophobicContact CH2-CG 4.31Å; W629-Y656 AromaticContact CZ2-CD2 3.6Å; W629-Y656 HydrophobicContact CZ2-CD2 3.6Å; W629-Y656 HydrophobicContact CZ2-CE2 4.1Å; W629-Y656 AromaticContact CZ2-CG 4Å; W629-Y656 HydrophobicContact CZ2-CG 4Å; W629-W665 AromaticContact CH2-CE3 3.98Å; W629-W665 HydrophobicContact CH2-CE3 3.98Å; W629-W665 AromaticContact CH2-CH2 3.58Å; W629-W665 HydrophobicContact CH2-CH2 3.58Å; W629-W665 HydrophobicContact CH2-CZ2 4.15Å; W629-W665 AromaticContact CH2-CZ3 3.45Å; W629-W665 HydrophobicContact CH2-CZ3 3.45Å; W629-W665 VanDerWaalsContact CH2-CZ3 3.45Å; W629-W665 AromaticContact CZ3-CH2 3.34Å; W629-W665 HydrophobicContact CZ3-CH2 3.34Å; W629-W665 AromaticContact CZ3-CZ2 3.77Å; W629-W665 HydrophobicContact CZ3-CZ2 3.77Å; W629-W665 AromaticContact CZ3-CZ3 3.75Å; W629-W665 HydrophobicContact CZ3-CZ3 3.75Å
630	R	70.7	Confident	79.3	Confident	56 Å²	56	37.8 Å²	37.8	21%	0.211	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-140.2	144.3	172.1	178.9	-178	175.3	163.2	-5.6	110.1	T599 D604 T632 G646 D647	T599-R630 VanDerWaalsContact CG2-CD 3.41Å; T599-R630 HydrophobicContact CG2-CG 3.73Å; D604-R630 IonicContact OD1-NH1 2.66Å; D604-R630 PolarHBondContact OD1-NH1 3.4Å; R630-T632 PolarHBondContact O-N 2.67Å; R630-G646 CarbonylContact O-C 3.58Å; R630-G646 WeakPolarHBondContact O-CA 3.49Å; R630-D647 HydrophobicContact CB-CB 4.39Å; R630-D647 PolarHBondContact O-N 3.12Å
631	Y	73.6	Confident	79	Confident	52 Å²	52	35.5 Å²	35.5	20%	0.204	22%	0.218	C	C	.	.	S	Bend	trans	53.1	36.8	-177.4	-57.2	-63.8	0	0	0	113.5	N583 G646 S677	N583-Y631 HydrophobicContact CB-CD1 3.75Å; N583-Y631 HydrophobicContact CB-CE1 3.74Å; Y631-G646 WeakPolarHBondContact O-CA 3.48Å; Y631-S677 WeakPolarHBondContact O-CA 3.49Å; Y631-S677 PolarHBondContact O-N 2.94Å
632	T	80.4	Confident	78.8	Confident	11 Å²	11	32.8 Å²	32.8	7%	0.067	20%	0.201	C	C	.	.			trans	-79.3	151.7	175.1	36.3	0	0	0	0	111.6	W629 R630 V643 G645	W629-T632 HydrophobicContact CB-CG2 3.62Å; W629-T632 HydrophobicContact CD2-CG2 4.14Å; W629-T632 HydrophobicContact CG-CG2 3.51Å; R630-T632 PolarHBondContact O-N 2.67Å; T632-V643 HydrophobicContact CG2-CG1 4.19Å; T632-G645 WeakPolarHBondContact CG2-O 3.4Å
633	A	84.8	Confident	78.8	Confident	3 Å²	3	31 Å²	31	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.4	163	0	0	0	0	0	109.7	V643 M644 A680	A633-V643 WeakPolarHBondContact O-CA 3.11Å; A633-M644 HydrophobicContact CB-CG 4.17Å; A633-M644 PolarHBondContact N-O 3.45Å; A633-M644 PolarHBondContact O-N 3.15Å; A633-A680 HydrophobicContact CB-CB 3.57Å
634	A	87.9	Confident	78.8	Confident	16 Å²	16	30.2 Å²	30.2	13%	0.132	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.9	167.5	0	0	0	0	0	110.4	A585 V587 F642 V643	A585-A634 HydrophobicContact CB-CB 3.52Å; V587-A634 HydrophobicContact CG1-CB 3.84Å; A634-F642 CarbonylContact C-O 3.53Å; A634-F642 WeakPolarHBondContact CA-O 3.38Å; A634-V643 HydrophobicContact CB-CG2 4.05Å
635	A	86.4	Confident	78.4	Confident	4 Å²	4	26.8 Å²	26.8	3%	0.033	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.7	178.1	0	0	0	0	0	109.8	F642 M644 A680 L687	A635-F642 PolarHBondContact N-O 3.44Å; A635-F642 PolarHBondContact O-N 2.97Å; A635-M644 HydrophobicContact CB-CE 4.41Å; A635-A680 HydrophobicContact CB-CB 4.02Å; A635-L687 HydrophobicContact CB-CD2 3.47Å; A635-L687 VanDerWaalsContact CB-CD2 3.47Å
636	V	80	Confident	78.1	Confident	37 Å²	37	26.3 Å²	26.3	22%	0.224	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.9	-173.6	-172.6	0	0	0	0	109.6	V587 S588 V589 I641 A682	V587-V636 HydrophobicContact CB-CG2 3.62Å; V587-V636 HydrophobicContact CG1-CG2 4.01Å; V587-V636 HydrophobicContact CG2-CG2 3.99Å; S588-V636 WeakPolarHBondContact O-CG2 3.27Å; V589-V636 HydrophobicContact CB-CG1 4Å; V589-V636 HydrophobicContact CG2-CG1 3.64Å; V636-I641 HydrophobicContact CG2-CG1 4.1Å; V636-A682 WeakPolarHBondContact O-CB 3.47Å
637	L	72.8	Confident	77.8	Confident	18 Å²	18	26.1 Å²	26.1	9%	0.094	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.7	179.4	-171.1	70.6	0	0	0	108.9	N639 Q640 F642 A682 L687 P707	L637-N639 PolarHBondContact O-N 2.92Å; L637-Q640 PolarHBondContact N-O 3.19Å; L637-Q640 PolarHBondContact O-N 2.86Å; L637-Q640 VanDerWaalsContact O-N 3.07Å; L637-F642 HydrophobicContact CB-CD2 4.1Å; L637-F642 HydrophobicContact CB-CE2 3.85Å; L637-F642 HydrophobicContact CD2-CE2 4.36Å; L637-A682 HydrophobicContact CD1-CB 4.14Å; L637-L687 HydrophobicContact CB-CD1 4.09Å; L637-L687 HydrophobicContact CB-CD2 4.28Å; L637-L687 HydrophobicContact CB-CG 4.1Å; L637-L687 HydrophobicContact CD1-CG 4.46Å; L637-L687 HydrophobicContact CD2-CD1 4Å; L637-L687 HydrophobicContact CD2-CG 4.05Å; L637-L687 HydrophobicContact CG-CG 4.44Å; L637-P707 HydrophobicContact CD2-CB 3.93Å; L637-P707 HydrophobicContact CD2-CG 3.86Å
638	G	69.3	Low	77.5	Confident	64 Å²	64	26.4 Å²	26.4	66%	0.66	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	-119.1	-168.3	0	0	0	0	0	111.1
639	N	71.8	Confident	77.1	Confident	95 Å²	95	30.6 Å²	30.6	51%	0.508	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	6.2	178.2	-79.9	-28.4	0	0	0	114.2	L637 S660	L637-N639 PolarHBondContact O-N 2.92Å; N639-S660 PolarHBondContact O-OG 2.99Å
640	Q	77.7	Confident	76.3	Confident	75 Å²	75	38.6 Å²	38.6	35%	0.35	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.5	-173.7	-67	177.1	2.2	0	0	110.5	L637 F642 K657	L637-Q640 PolarHBondContact N-O 3.19Å; L637-Q640 PolarHBondContact O-N 2.86Å; L637-Q640 VanDerWaalsContact O-N 3.07Å; Q640-F642 HydrophobicContact CB-CE2 3.89Å; Q640-K657 HydrophobicContact CB-CD 4.42Å; Q640-K657 HydrophobicContact CB-CG 4.2Å
641	I	85.6	Confident	75.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.9	176.8	-63.3	170.5	0	0	0	108	V587 V589 F594 F596 V636 V643 K657 F658	V587-I641 HydrophobicContact CG2-CD1 3.89Å; V587-I641 HydrophobicContact CG2-CG1 4.17Å; V587-I641 HydrophobicContact CG2-CG2 3.91Å; V589-I641 HydrophobicContact CB-CD1 4.26Å; V589-I641 HydrophobicContact CB-CG1 4.24Å; V589-I641 HydrophobicContact CG1-CD1 3.58Å; V589-I641 HydrophobicContact CG1-CG1 3.97Å; F594-I641 HydrophobicContact CB-CD1 4.13Å; F594-I641 HydrophobicContact CD2-CD1 3.89Å; F594-I641 HydrophobicContact CE2-CD1 4.47Å; F594-I641 HydrophobicContact CG-CD1 3.97Å; F596-I641 HydrophobicContact CE2-CD1 3.95Å; F596-I641 HydrophobicContact CE2-CG2 3.8Å; F596-I641 HydrophobicContact CZ-CD1 3.79Å; F596-I641 HydrophobicContact CZ-CG2 3.94Å; V636-I641 HydrophobicContact CG2-CG1 4.1Å; I641-V643 HydrophobicContact CG2-CG2 4.02Å; I641-K657 CarbonylContact O-C 3.59Å; I641-K657 WeakPolarHBondContact O-CA 3.17Å; I641-F658 HydrophobicContact CB-CB 4.25Å; I641-F658 HydrophobicContact CD1-CD1 4.22Å; I641-F658 PolarHBondContact N-O 3.17Å; I641-F658 PolarHBondContact O-N 3.08Å
642	F	85.5	Confident	75.1	Confident	9 Å²	9	35.5 Å²	35.5	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.7	174.4	-69.7	-108.1	0	0	0	108.5	A634 A635 L637 Q640 M644 Y656 K657 V668 L687 Y705	A634-F642 CarbonylContact C-O 3.53Å; A634-F642 WeakPolarHBondContact CA-O 3.38Å; A635-F642 PolarHBondContact N-O 3.44Å; A635-F642 PolarHBondContact O-N 2.97Å; L637-F642 HydrophobicContact CB-CD2 4.1Å; L637-F642 HydrophobicContact CB-CE2 3.85Å; L637-F642 HydrophobicContact CD2-CE2 4.36Å; Q640-F642 HydrophobicContact CB-CE2 3.89Å; F642-M644 HydrophobicContact CB-CE 3.65Å; F642-M644 VanDerWaalsContact O-CE 3.29Å; F642-M644 WeakPolarHBondContact O-CE 3.27Å; F642-Y656 CarbonylContact C-O 3.55Å; F642-Y656 WeakPolarHBondContact CA-O 3.39Å; F642-K657 HydrophobicContact CD1-CB 4.41Å; F642-K657 HydrophobicContact CD1-CG 4.3Å; F642-K657 HydrophobicContact CD2-CG 4.46Å; F642-K657 HydrophobicContact CE1-CB 4.29Å; F642-K657 HydrophobicContact CE1-CD 3.76Å; F642-K657 HydrophobicContact CE1-CG 3.94Å; F642-K657 HydrophobicContact CE2-CD 4.13Å; F642-K657 HydrophobicContact CE2-CG 4.09Å; F642-K657 HydrophobicContact CZ-CD 3.49Å; F642-K657 VanDerWaalsContact CZ-CD 3.49Å; F642-K657 HydrophobicContact CZ-CG 3.83Å; F642-V668 HydrophobicContact CD1-CG2 4.42Å; F642-V668 HydrophobicContact CE1-CG1 4.29Å; F642-L687 HydrophobicContact CB-CD1 3.75Å; F642-L687 HydrophobicContact CD1-CD1 3.67Å; F642-L687 HydrophobicContact CD2-CD1 3.58Å; F642-L687 HydrophobicContact CE1-CD1 4.08Å; F642-L687 HydrophobicContact CE2-CD1 4.03Å; F642-L687 HydrophobicContact CG-CD1 3.38Å; F642-L687 HydrophobicContact CZ-CD1 4.24Å; F642-Y705 AromaticContact CE1-CE1 3.82Å; F642-Y705 HydrophobicContact CE1-CE1 3.82Å; F642-Y705 HydrophobicContact CZ-CE1 4.35Å
643	V	87.3	Confident	74.2	Confident	1 Å²	1	36 Å²	36	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.8	178	-174.8	0	0	0	0	108.3	F596 W629 T632 A633 A634 I641 Y656 W665	F596-V643 HydrophobicContact CD1-CG2 4.24Å; F596-V643 HydrophobicContact CD2-CG2 4.3Å; F596-V643 HydrophobicContact CG-CG2 4.12Å; W629-V643 HydrophobicContact CD2-CG1 4.23Å; W629-V643 HydrophobicContact CE3-CG1 3.97Å; W629-V643 HydrophobicContact CH2-CB 4.23Å; W629-V643 HydrophobicContact CH2-CG1 4.09Å; W629-V643 HydrophobicContact CZ2-CG1 4.32Å; W629-V643 HydrophobicContact CZ3-CB 4.32Å; W629-V643 HydrophobicContact CZ3-CG1 3.9Å; T632-V643 HydrophobicContact CG2-CG1 4.19Å; A633-V643 WeakPolarHBondContact O-CA 3.11Å; A634-V643 HydrophobicContact CB-CG2 4.05Å; I641-V643 HydrophobicContact CG2-CG2 4.02Å; V643-Y656 PolarHBondContact N-O 3.28Å; V643-Y656 PolarHBondContact O-N 3.03Å; V643-W665 HydrophobicContact CB-CH2 4.48Å; V643-W665 HydrophobicContact CB-CZ3 4.21Å; V643-W665 HydrophobicContact CG2-CH2 3.92Å; V643-W665 HydrophobicContact CG2-CZ3 3.94Å
644	M	85.5	Confident	73.7	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	153.3	-167.5	64.2	-152.3	89.6	0	0	113.5	A633 A635 F642 A655 V671 A680 V689 W712	A633-M644 HydrophobicContact CB-CG 4.17Å; A633-M644 PolarHBondContact N-O 3.45Å; A633-M644 PolarHBondContact O-N 3.15Å; A635-M644 HydrophobicContact CB-CE 4.41Å; F642-M644 HydrophobicContact CB-CE 3.65Å; F642-M644 VanDerWaalsContact O-CE 3.29Å; F642-M644 WeakPolarHBondContact O-CE 3.27Å; M644-A655 HydrophobicContact CB-CB 3.94Å; M644-V671 HydrophobicContact CB-CG2 4.33Å; M644-A680 HydrophobicContact CE-CB 3.89Å; M644-A680 HydrophobicContact CG-CB 4.42Å; M644-A680 HydrophobicContact SD-CB 3.82Å; M644-V689 HydrophobicContact CG-CG2 4.25Å; M644-V689 HydrophobicContact SD-CG2 3.25Å; M644-V689 WeakPolarHBondContact SD-CG2 3.47Å; M644-W712 HydrophobicContact SD-CH2 3.74Å; M644-W712 HydrophobicContact SD-CZ2 4.27Å
645	G	78.1	Confident	73.4	Confident	3 Å²	3	35.5 Å²	35.5	3%	0.031	20%	0.2	C	C	.	.			trans	67.7	-148.1	-178.8	0	0	0	0	0	112.9	T632 S654 R675	T632-G645 WeakPolarHBondContact CG2-O 3.4Å; G645-S654 PolarHBondContact N-O 2.92Å; G645-R675 CarbonylContact C-O 3.51Å; G645-R675 VanDerWaalsContact CA-O 3.22Å; G645-R675 WeakPolarHBondContact CA-O 3.5Å
646	G	74.7	Confident	73.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	85	169.9	-179.5	0	0	0	0	0	114.3	R630 Y631 A652 R675	R630-G646 CarbonylContact O-C 3.58Å; R630-G646 WeakPolarHBondContact O-CA 3.49Å; Y631-G646 WeakPolarHBondContact O-CA 3.48Å; G646-A652 WeakPolarHBondContact O-CB 3.21Å; G646-R675 PolarHBondContact N-O 3.36Å
647	D	70.8	Confident	73.7	Confident	61 Å²	61	38 Å²	38	33%	0.326	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-76.2	121.4	173	-172.9	11.4	0	0	0	109.4	R630 M676	R630-D647 HydrophobicContact CB-CB 4.39Å; R630-D647 PolarHBondContact O-N 3.12Å; D647-M676 HydrophobicContact CB-CG 4.47Å; D647-M676 HydrophobicContact CB-SD 3.7Å
648	T	65.7	Low	74.4	Confident	17 Å²	17	37.1 Å²	37.1	10%	0.104	20%	0.202	C	C	.	.			trans	-146.6	149	-173.4	54.7	0	0	0	0	110.4	Q627 W629 F650 S651 A652	Q627-T648 HydrophobicContact CG-CG2 4.25Å; W629-T648 VanDerWaalsContact CD1-CG2 3.42Å; T648-F650 VanDerWaalsContact C-N 3.29Å; T648-F650 PolarHBondContact O-N 3.28Å; T648-S651 PolarHBondContact OG1-O 3.06Å; T648-A652 PolarHBondContact OG1-N 3.17Å
649	E	57.5	Low	75.1	Confident	119 Å²	119	35.4 Å²	35.4	56%	0.556	18%	0.18	S	C	*	.	S	Bend	trans	-74	-18	-177	-75.5	160.8	-157	0	0	113.8	K605	K605-E649 IonicContact NZ-OE1 2.69Å; K605-E649 PolarHBondContact NZ-OE1 2.92Å
650	F	56	Low	75.5	Confident	167 Å²	167	31.5 Å²	31.5	73%	0.732	16%	0.159	S	C	*	.	S	Bend	trans	-116.3	-46.4	-169.7	-59.4	-76.8	0	0	0	114.4	T648	T648-F650 VanDerWaalsContact C-N 3.29Å; T648-F650 PolarHBondContact O-N 3.28Å
651	S	59.2	Low	75.6	Confident	36 Å²	36	34.3 Å²	34.3	25%	0.252	17%	0.173	S	C	.	.			trans	-167.9	116	172.8	179.4	0	0	0	0	113.8	T648 C653 S654	T648-S651 PolarHBondContact OG1-O 3.06Å; S651-C653 PolarHBondContact O-N 2.96Å; S651-C653 VanDerWaalsContact O-N 3.12Å; S651-C653 PolarHBondContact OG-N 3.22Å; S651-S654 WeakPolarHBondContact CB-OG 3.44Å; S651-S654 WeakPolarHBondContact O-CB 3.22Å; S651-S654 PolarHBondContact O-N 3.03Å; S651-S654 PolarHBondContact O-OG 2.85Å
652	A	59.8	Low	75.4	Confident	7 Å²	7	38.1 Å²	38.1	6%	0.058	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	6.7	173.2	0	0	0	0	0	115.1	G646 T648 K674 R675 F694	G646-A652 WeakPolarHBondContact O-CB 3.21Å; T648-A652 PolarHBondContact OG1-N 3.17Å; A652-K674 HydrophobicContact CB-CB 4.09Å; A652-K674 HydrophobicContact CB-CG 4.38Å; A652-K674 WeakPolarHBondContact O-CA 3.36Å; A652-R675 PolarHBondContact O-N 2.98Å; A652-R675 VanDerWaalsContact O-N 3.11Å; A652-F694 HydrophobicContact CB-CD2 4.15Å; A652-F694 HydrophobicContact CB-CE2 4.19Å
653	C	62.1	Low	75.4	Confident	22 Å²	22	41.6 Å²	41.6	15%	0.149	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-13.2	164.8	-68.5	0	0	0	0	112.7	S651 A655 D670 V671 K674	S651-C653 PolarHBondContact O-N 2.96Å; S651-C653 VanDerWaalsContact O-N 3.12Å; S651-C653 PolarHBondContact OG-N 3.22Å; C653-A655 PolarHBondContact O-N 3.4Å; C653-D670 HydrophobicContact CB-CB 4.15Å; C653-V671 WeakPolarHBondContact O-CG2 3.34Å; C653-V671 PolarHBondContact O-N 3.32Å; C653-K674 WeakPolarHBondContact SG-CG 3.37Å
654	S	74	Confident	75.4	Confident	7 Å²	7	47.3 Å²	47.3	5%	0.049	23%	0.233	C	C	.	.			trans	-70.2	131.3	-165.4	-47.7	0	0	0	0	112.4	G645 S651 Y656 D670	G645-S654 PolarHBondContact N-O 2.92Å; S651-S654 WeakPolarHBondContact CB-OG 3.44Å; S651-S654 WeakPolarHBondContact O-CB 3.22Å; S651-S654 PolarHBondContact O-N 3.03Å; S651-S654 PolarHBondContact O-OG 2.85Å; S654-Y656 VanDerWaalsContact CB-CE2 3.47Å; S654-D670 WeakPolarHBondContact CA-OD1 3.42Å
655	A	82.3	Confident	75.5	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.7	168.7	0	0	0	0	0	110.4	M644 C653 V668 V671 W712	M644-A655 HydrophobicContact CB-CB 3.94Å; C653-A655 PolarHBondContact O-N 3.4Å; A655-V668 HydrophobicContact CB-CG2 3.61Å; A655-V668 WeakPolarHBondContact O-CG2 3.5Å; A655-V668 PolarHBondContact O-N 2.96Å; A655-V668 VanDerWaalsContact O-N 3.13Å; A655-V671 HydrophobicContact CB-CG2 4.07Å; A655-W712 HydrophobicContact CB-CZ2 4.32Å
656	Y	85.9	Confident	76	Confident	39 Å²	39	53.2 Å²	53.2	15%	0.153	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.1	-177.6	-69.4	-98	0	0	0	110.7	P626 Q627 W629 F642 V643 S654 T666 K667	P626-Y656 HydrophobicContact CB-CE1 4.11Å; P626-Y656 HydrophobicContact CG-CD1 4.01Å; P626-Y656 HydrophobicContact CG-CE1 4.11Å; Q627-Y656 VanDerWaalsContact NE2-CE2 3.32Å; W629-Y656 HydrophobicContact CH2-CD2 4.36Å; W629-Y656 HydrophobicContact CH2-CG 4.31Å; W629-Y656 AromaticContact CZ2-CD2 3.6Å; W629-Y656 HydrophobicContact CZ2-CD2 3.6Å; W629-Y656 HydrophobicContact CZ2-CE2 4.1Å; W629-Y656 AromaticContact CZ2-CG 4Å; W629-Y656 HydrophobicContact CZ2-CG 4Å; F642-Y656 CarbonylContact C-O 3.55Å; F642-Y656 WeakPolarHBondContact CA-O 3.39Å; V643-Y656 PolarHBondContact N-O 3.28Å; V643-Y656 PolarHBondContact O-N 3.03Å; S654-Y656 VanDerWaalsContact CB-CE2 3.47Å; Y656-T666 WeakPolarHBondContact CA-O 3.33Å; Y656-K667 HydrophobicContact CD1-CB 4.3Å; Y656-K667 HydrophobicContact CD1-CG 4.4Å; Y656-K667 HydrophobicContact CE1-CB 4.17Å; Y656-K667 HydrophobicContact CE1-CG 4.13Å
657	K	87.2	Confident	76.4	Confident	54 Å²	54	58.2 Å²	58.2	24%	0.235	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.1	175.7	-164.6	172.3	83.5	163.9	0	109.3	Q640 I641 F642 W665 T666 V668	Q640-K657 HydrophobicContact CB-CD 4.42Å; Q640-K657 HydrophobicContact CB-CG 4.2Å; I641-K657 CarbonylContact O-C 3.59Å; I641-K657 WeakPolarHBondContact O-CA 3.17Å; F642-K657 HydrophobicContact CD1-CB 4.41Å; F642-K657 HydrophobicContact CD1-CG 4.3Å; F642-K657 HydrophobicContact CD2-CG 4.46Å; F642-K657 HydrophobicContact CE1-CB 4.29Å; F642-K657 HydrophobicContact CE1-CD 3.76Å; F642-K657 HydrophobicContact CE1-CG 3.94Å; F642-K657 HydrophobicContact CE2-CD 4.13Å; F642-K657 HydrophobicContact CE2-CG 4.09Å; F642-K657 HydrophobicContact CZ-CD 3.49Å; F642-K657 VanDerWaalsContact CZ-CD 3.49Å; F642-K657 HydrophobicContact CZ-CG 3.83Å; K657-W665 CarbonylContact O-C 3.6Å; K657-W665 WeakPolarHBondContact O-CA 3.48Å; K657-T666 PolarHBondContact N-O 2.99Å; K657-T666 PolarHBondContact O-N 3.48Å; K657-V668 HydrophobicContact CB-CG1 3.84Å; K657-V668 HydrophobicContact CD-CG1 4.23Å
658	F	86.1	Confident	77	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.5	177.6	-175.3	-113.9	0	0	0	109.7	F594 F596 V609 A623 I641 Y663 W665	F594-F658 HydrophobicContact CD1-CE1 4Å; F594-F658 AromaticContact CE1-CE1 3.95Å; F594-F658 HydrophobicContact CE1-CE1 3.95Å; F596-F658 AromaticContact CE1-CD1 3.82Å; F596-F658 HydrophobicContact CE1-CD1 3.82Å; F596-F658 HydrophobicContact CE1-CE1 4.02Å; F596-F658 HydrophobicContact CE1-CG 4.14Å; F596-F658 AromaticContact CZ-CD1 3.71Å; F596-F658 HydrophobicContact CZ-CD1 3.71Å; F596-F658 HydrophobicContact CZ-CE1 4.02Å; F596-F658 HydrophobicContact CZ-CG 4.37Å; V609-F658 HydrophobicContact CG1-CE1 4.47Å; V609-F658 HydrophobicContact CG1-CZ 4.32Å; A623-F658 HydrophobicContact CB-CE2 4.11Å; A623-F658 HydrophobicContact CB-CZ 4.28Å; I641-F658 HydrophobicContact CB-CB 4.25Å; I641-F658 HydrophobicContact CD1-CD1 4.22Å; I641-F658 PolarHBondContact N-O 3.17Å; I641-F658 PolarHBondContact O-N 3.08Å; F658-Y663 HydrophobicContact CE1-CD1 4.2Å; F658-Y663 WeakPolarHBondContact CE2-O 3.39Å; F658-Y663 AromaticContact CZ-CD1 3.74Å; F658-Y663 HydrophobicContact CZ-CD1 3.74Å; F658-Y663 HydrophobicContact CZ-CG 4.38Å; F658-W665 HydrophobicContact CB-CD2 4.25Å; F658-W665 HydrophobicContact CB-CE3 3.76Å; F658-W665 HydrophobicContact CB-CH2 3.83Å; F658-W665 HydrophobicContact CB-CZ2 4.32Å; F658-W665 HydrophobicContact CB-CZ3 3.55Å; F658-W665 AromaticContact CD2-CD2 3.6Å; F658-W665 HydrophobicContact CD2-CD2 3.6Å; F658-W665 AromaticContact CD2-CE2 3.35Å; F658-W665 HydrophobicContact CD2-CE3 4.01Å; F658-W665 HydrophobicContact CD2-CG 4.12Å; F658-W665 AromaticContact CD2-CH2 3.98Å; F658-W665 HydrophobicContact CD2-CH2 3.98Å; F658-W665 AromaticContact CD2-CZ2 3.57Å; F658-W665 HydrophobicContact CD2-CZ2 3.57Å; F658-W665 HydrophobicContact CD2-CZ3 4.21Å; F658-W665 AromaticContact CD2-NE1 3.75Å; F658-W665 HydrophobicContact CE2-CD2 4.41Å; F658-W665 AromaticContact CE2-CE2 3.8Å; F658-W665 HydrophobicContact CE2-CZ2 4Å; F658-W665 AromaticContact CE2-NE1 3.8Å; F658-W665 HydrophobicContact CG-CD2 4.35Å; F658-W665 HydrophobicContact CG-CE3 4.32Å; F658-W665 HydrophobicContact CG-CH2 4.01Å; F658-W665 HydrophobicContact CG-CZ2 4.05Å; F658-W665 HydrophobicContact CG-CZ3 4.18Å
659	S	84.6	Confident	77.4	Confident	28 Å²	28	56.1 Å²	56.1	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.5	172.4	172.2	0	0	0	0	110	E661 N662 Y663 Q664	S659-E661 PolarHBondContact O-N 3.03Å; S659-E661 PolarHBondContact OG-N 2.76Å; S659-N662 WeakPolarHBondContact CB-OD1 3.46Å; S659-N662 PolarHBondContact OG-OD1 2.91Å; S659-Y663 VanDerWaalsContact O-CA 3.25Å; S659-Y663 WeakPolarHBondContact O-CA 3.35Å; S659-Y663 PolarHBondContact O-N 3.47Å; S659-Q664 PolarHBondContact N-O 3.12Å
660	S	80.3	Confident	78.3	Confident	12 Å²	12	54.1 Å²	54.1	8%	0.084	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.5	179.7	55.2	0	0	0	0	114	N639 Y663	N639-S660 PolarHBondContact O-OG 2.99Å; S660-Y663 WeakPolarHBondContact O-CE1 3.49Å
661	E	78.7	Confident	79	Confident	134 Å²	134	46.5 Å²	46.5	63%	0.626	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-46.7	-178.3	-66.1	175	-174.8	0	0	113	K590 S659	K590-E661 VanDerWaalsContact NZ-CD 3.34Å; K590-E661 IonicContact NZ-OE1 2.85Å; K590-E661 PolarHBondContact NZ-OE1 3.36Å; S659-E661 PolarHBondContact O-N 3.03Å; S659-E661 PolarHBondContact OG-N 2.76Å
662	N	82.9	Confident	79.5	Confident	80 Å²	80	48.4 Å²	48.4	43%	0.428	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-0.7	-175.4	67.5	3.3	0	0	0	112.9	S659 Q664	S659-N662 WeakPolarHBondContact CB-OD1 3.46Å; S659-N662 PolarHBondContact OG-OD1 2.91Å; N662-Q664 HydrophobicContact CB-CG 4.3Å; N662-Q664 PolarHBondContact ND2-OE1 3.48Å; N662-Q664 VanDerWaalsContact ND2-OE1 3.08Å; N662-Q664 PolarHBondContact O-N 3.37Å; N662-Q664 WeakPolarHBondContact OD1-CB 3.33Å; N662-Q664 PolarHBondContact OD1-N 2.93Å
663	Y	85.7	Confident	79.9	Confident	83 Å²	83	49.4 Å²	49.4	33%	0.325	26%	0.257	S	S	.	.			trans	54.6	28.7	-177.4	-51.2	-58.3	0	0	0	114.6	F594 P622 F658 S659 S660	F594-Y663 HydrophobicContact CE1-CE1 4.08Å; F594-Y663 HydrophobicContact CZ-CE1 4.37Å; P622-Y663 HydrophobicContact CB-CD1 3.86Å; P622-Y663 HydrophobicContact CB-CD2 3.78Å; P622-Y663 HydrophobicContact CB-CE1 3.8Å; P622-Y663 HydrophobicContact CB-CE2 3.71Å; P622-Y663 HydrophobicContact CB-CG 3.84Å; P622-Y663 HydrophobicContact CG-CD1 4.12Å; P622-Y663 HydrophobicContact CG-CE1 4.01Å; F658-Y663 HydrophobicContact CE1-CD1 4.2Å; F658-Y663 WeakPolarHBondContact CE2-O 3.39Å; F658-Y663 AromaticContact CZ-CD1 3.74Å; F658-Y663 HydrophobicContact CZ-CD1 3.74Å; F658-Y663 HydrophobicContact CZ-CG 4.38Å; S659-Y663 VanDerWaalsContact O-CA 3.25Å; S659-Y663 WeakPolarHBondContact O-CA 3.35Å; S659-Y663 PolarHBondContact O-N 3.47Å; S660-Y663 WeakPolarHBondContact O-CE1 3.49Å
664	Q	86.8	Confident	80.4	Confident	120 Å²	120	52.9 Å²	52.9	56%	0.561	27%	0.27	S	S	*	.			trans	-93.3	151.2	177.6	-65	-177.1	-18.6	0	0	112.3	S659 N662	S659-Q664 PolarHBondContact N-O 3.12Å; N662-Q664 HydrophobicContact CB-CG 4.3Å; N662-Q664 PolarHBondContact ND2-OE1 3.48Å; N662-Q664 VanDerWaalsContact ND2-OE1 3.08Å; N662-Q664 PolarHBondContact O-N 3.37Å; N662-Q664 WeakPolarHBondContact OD1-CB 3.33Å; N662-Q664 PolarHBondContact OD1-N 2.93Å
665	W	87.7	Confident	80.5	Confident	51 Å²	51	52.7 Å²	52.7	19%	0.193	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.6	175.5	-67.1	99.2	0	0	0	111	F596 V609 S624 P626 W629 V643 K657 F658	F596-W665 AromaticContact CD1-CH2 3.59Å; F596-W665 HydrophobicContact CD1-CH2 3.59Å; F596-W665 AromaticContact CD1-CZ2 3.87Å; F596-W665 HydrophobicContact CD1-CZ2 3.87Å; F596-W665 AromaticContact CE1-CH2 3.55Å; F596-W665 HydrophobicContact CE1-CH2 3.55Å; F596-W665 AromaticContact CE1-CZ2 3.79Å; F596-W665 HydrophobicContact CE1-CZ2 3.79Å; V609-W665 HydrophobicContact CG2-CZ2 3.83Å; S624-W665 PolarHBondContact O-NE1 2.92Å; P626-W665 HydrophobicContact CG-CB 3.68Å; P626-W665 HydrophobicContact CG-CD2 3.71Å; P626-W665 HydrophobicContact CG-CE3 4.23Å; P626-W665 HydrophobicContact CG-CG 3.44Å; P626-W665 VanDerWaalsContact CG-CG 3.44Å; W629-W665 AromaticContact CH2-CE3 3.98Å; W629-W665 HydrophobicContact CH2-CE3 3.98Å; W629-W665 AromaticContact CH2-CH2 3.58Å; W629-W665 HydrophobicContact CH2-CH2 3.58Å; W629-W665 HydrophobicContact CH2-CZ2 4.15Å; W629-W665 AromaticContact CH2-CZ3 3.45Å; W629-W665 HydrophobicContact CH2-CZ3 3.45Å; W629-W665 VanDerWaalsContact CH2-CZ3 3.45Å; W629-W665 AromaticContact CZ3-CH2 3.34Å; W629-W665 HydrophobicContact CZ3-CH2 3.34Å; W629-W665 AromaticContact CZ3-CZ2 3.77Å; W629-W665 HydrophobicContact CZ3-CZ2 3.77Å; W629-W665 AromaticContact CZ3-CZ3 3.75Å; W629-W665 HydrophobicContact CZ3-CZ3 3.75Å; V643-W665 HydrophobicContact CB-CH2 4.48Å; V643-W665 HydrophobicContact CB-CZ3 4.21Å; V643-W665 HydrophobicContact CG2-CH2 3.92Å; V643-W665 HydrophobicContact CG2-CZ3 3.94Å; K657-W665 CarbonylContact O-C 3.6Å; K657-W665 WeakPolarHBondContact O-CA 3.48Å; F658-W665 HydrophobicContact CB-CD2 4.25Å; F658-W665 HydrophobicContact CB-CE3 3.76Å; F658-W665 HydrophobicContact CB-CH2 3.83Å; F658-W665 HydrophobicContact CB-CZ2 4.32Å; F658-W665 HydrophobicContact CB-CZ3 3.55Å; F658-W665 AromaticContact CD2-CD2 3.6Å; F658-W665 HydrophobicContact CD2-CD2 3.6Å; F658-W665 AromaticContact CD2-CE2 3.35Å; F658-W665 HydrophobicContact CD2-CE3 4.01Å; F658-W665 HydrophobicContact CD2-CG 4.12Å; F658-W665 AromaticContact CD2-CH2 3.98Å; F658-W665 HydrophobicContact CD2-CH2 3.98Å; F658-W665 AromaticContact CD2-CZ2 3.57Å; F658-W665 HydrophobicContact CD2-CZ2 3.57Å; F658-W665 HydrophobicContact CD2-CZ3 4.21Å; F658-W665 AromaticContact CD2-NE1 3.75Å; F658-W665 HydrophobicContact CE2-CD2 4.41Å; F658-W665 AromaticContact CE2-CE2 3.8Å; F658-W665 HydrophobicContact CE2-CZ2 4Å; F658-W665 AromaticContact CE2-NE1 3.8Å; F658-W665 HydrophobicContact CG-CD2 4.35Å; F658-W665 HydrophobicContact CG-CE3 4.32Å; F658-W665 HydrophobicContact CG-CH2 4.01Å; F658-W665 HydrophobicContact CG-CZ2 4.05Å; F658-W665 HydrophobicContact CG-CZ3 4.18Å
666	T	87.6	Confident	80.1	Confident	78 Å²	78	53.8 Å²	53.8	48%	0.479	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.1	172.7	-46.1	0	0	0	0	108.2	Y656 K657	Y656-T666 WeakPolarHBondContact CA-O 3.33Å; K657-T666 PolarHBondContact N-O 2.99Å; K657-T666 PolarHBondContact O-N 3.48Å
667	K	83.6	Confident	79.6	Confident	105 Å²	105	53.6 Å²	53.6	46%	0.457	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	139.1	171.9	-161.1	-169.9	175.2	-162.5	0	109.1	Y656 D670	Y656-K667 HydrophobicContact CD1-CB 4.3Å; Y656-K667 HydrophobicContact CD1-CG 4.4Å; Y656-K667 HydrophobicContact CE1-CB 4.17Å; Y656-K667 HydrophobicContact CE1-CG 4.13Å; K667-D670 WeakPolarHBondContact CE-OD1 3.32Å; K667-D670 IonicContact NZ-OD1 3.51Å; K667-D670 PolarHBondContact NZ-OD1 2.69Å; K667-D670 IonicContact NZ-OD2 3.44Å; K667-D670 PolarHBondContact NZ-OD2 3.42Å
668	V	83.6	Confident	79.2	Confident	15 Å²	15	51.2 Å²	51.2	9%	0.091	27%	0.267	C	S	.	.			trans	-114.8	-179.5	173.4	-65.8	0	0	0	0	110.1	F642 A655 K657 D670	F642-V668 HydrophobicContact CD1-CG2 4.42Å; F642-V668 HydrophobicContact CE1-CG1 4.29Å; A655-V668 HydrophobicContact CB-CG2 3.61Å; A655-V668 WeakPolarHBondContact O-CG2 3.5Å; A655-V668 PolarHBondContact O-N 2.96Å; A655-V668 VanDerWaalsContact O-N 3.13Å; K657-V668 HydrophobicContact CB-CG1 3.84Å; K657-V668 HydrophobicContact CD-CG1 4.23Å; V668-D670 PolarHBondContact O-N 3.35Å
669	G	73.1	Confident	79.1	Confident	20 Å²	20	53.9 Å²	53.9	21%	0.206	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-47.8	133.3	175.4	0	0	0	0	0	113.1	D710 W712	G669-D710 PolarHBondContact N-OD1 3.44Å; G669-W712 PolarHBondContact O-NE1 3.46Å
670	D	77.6	Confident	79.1	Confident	77 Å²	77	53 Å²	53	41%	0.412	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-67.3	139.4	179.1	-75.3	-37.2	0	0	0	110.9	C653 S654 K667 V668 W712	C653-D670 HydrophobicContact CB-CB 4.15Å; S654-D670 WeakPolarHBondContact CA-OD1 3.42Å; K667-D670 WeakPolarHBondContact CE-OD1 3.32Å; K667-D670 IonicContact NZ-OD1 3.51Å; K667-D670 PolarHBondContact NZ-OD1 2.69Å; K667-D670 IonicContact NZ-OD2 3.44Å; K667-D670 PolarHBondContact NZ-OD2 3.42Å; V668-D670 PolarHBondContact O-N 3.35Å; D670-W712 VanDerWaalsContact O-CD1 3.22Å
671	V	71.3	Confident	79.3	Confident	6 Å²	6	53.5 Å²	53.5	4%	0.036	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-63.9	143.1	179	-173.2	0	0	0	0	109.9	M644 C653 A655 A673 W712	M644-V671 HydrophobicContact CB-CG2 4.33Å; C653-V671 WeakPolarHBondContact O-CG2 3.34Å; C653-V671 PolarHBondContact O-N 3.32Å; A655-V671 HydrophobicContact CB-CG2 4.07Å; V671-A673 PolarHBondContact O-N 3.33Å; V671-W712 HydrophobicContact CG2-CD2 4.47Å; V671-W712 HydrophobicContact CG2-CH2 4.38Å; V671-W712 HydrophobicContact CG2-CZ2 3.84Å
672	T	69.7	Low	79.2	Confident	76 Å²	76	48.4 Å²	48.4	47%	0.466	26%	0.257	S	S	.	.	S	Bend	trans	-54.7	-27.2	-172.5	78.2	0	0	0	0	114.6	D703 W712	T672-D703 PolarHBondContact OG1-OD1 3.47Å; T672-D703 PolarHBondContact OG1-OD2 3.12Å; T672-W712 HydrophobicContact CG2-CB 3.63Å
673	A	68.2	Low	78.7	Confident	29 Å²	29	44.9 Å²	44.9	24%	0.24	24%	0.239	C	C	.	.	S	Bend	trans	-138.9	149.6	-179.5	0	0	0	0	0	111.5	V671 R675	V671-A673 PolarHBondContact O-N 3.33Å; A673-R675 PolarHBondContact O-N 3.37Å
674	K	72.7	Confident	77.5	Confident	95 Å²	95	43.3 Å²	43.3	41%	0.413	25%	0.248	S	C	.	.			trans	-65.3	122.2	171.5	-68.2	-177.4	-178.9	-178.7	0	109.5	A652 C653 F694 C699	A652-K674 HydrophobicContact CB-CB 4.09Å; A652-K674 HydrophobicContact CB-CG 4.38Å; A652-K674 WeakPolarHBondContact O-CA 3.36Å; C653-K674 WeakPolarHBondContact SG-CG 3.37Å; K674-F694 HydrophobicContact CB-CB 3.99Å; K674-F694 HydrophobicContact CB-CD1 4.13Å; K674-F694 HydrophobicContact CB-CD2 3.77Å; K674-F694 HydrophobicContact CB-CE2 4.31Å; K674-F694 HydrophobicContact CB-CG 3.67Å; K674-F694 HydrophobicContact CD-CD1 4.06Å; K674-F694 HydrophobicContact CD-CD2 4.21Å; K674-F694 HydrophobicContact CD-CE1 3.76Å; K674-F694 HydrophobicContact CD-CE2 3.92Å; K674-F694 HydrophobicContact CD-CG 4.28Å; K674-F694 HydrophobicContact CD-CZ 3.69Å; K674-F694 WeakPolarHBondContact O-CB 3.44Å; K674-C699 PolarHBondContact O-SG 3.23Å
675	R	74.8	Confident	76.4	Confident	2 Å²	2	43 Å²	43	1%	0.008	25%	0.25	C	S	.	.			trans	-137.7	120.7	-175.5	-66.9	171	-165.6	-104.3	8.3	112	G645 G646 A652 A673 C678 G691 C699 T701 D703	G645-R675 CarbonylContact C-O 3.51Å; G645-R675 VanDerWaalsContact CA-O 3.22Å; G645-R675 WeakPolarHBondContact CA-O 3.5Å; G646-R675 PolarHBondContact N-O 3.36Å; A652-R675 PolarHBondContact O-N 2.98Å; A652-R675 VanDerWaalsContact O-N 3.11Å; A673-R675 PolarHBondContact O-N 3.37Å; R675-C678 HydrophobicContact CB-CB 3.95Å; R675-G691 WeakPolarHBondContact CD-O 3.26Å; R675-G691 PolarHBondContact NH1-O 3.03Å; R675-C699 HydrophobicContact CG-CB 3.9Å; R675-T701 PolarHBondContact NH1-O 3.46Å; R675-T701 PolarHBondContact NH2-O 3.37Å; R675-T701 PolarHBondContact NH2-OG1 2.99Å; R675-D703 IonicContact CZ-OD2 2.76Å; R675-D703 IonicContact NE-OD2 3.65Å; R675-D703 IonicContact NH2-OD1 2.7Å; R675-D703 PolarHBondContact NH2-OD1 2.96Å; R675-D703 IonicContact NH2-OD2 2.72Å; R675-D703 PolarHBondContact NH2-OD2 3.41Å
676	M	73.9	Confident	75.7	Confident	26 Å²	26	44.2 Å²	44.2	13%	0.128	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-102.9	146.1	162.6	-51.9	-173.5	-63.7	0	0	109.3	D647 C678 G692 Y693	D647-M676 HydrophobicContact CB-CG 4.47Å; D647-M676 HydrophobicContact CB-SD 3.7Å; M676-C678 PolarHBondContact O-N 3.38Å; M676-G692 CarbonylContact O-C 3.45Å; M676-G692 WeakPolarHBondContact O-CA 3.3Å; M676-Y693 WeakPolarHBondContact CB-O 3.46Å; M676-Y693 HydrophobicContact CE-CD2 3.92Å; M676-Y693 HydrophobicContact CE-CE2 3.59Å; M676-Y693 PolarHBondContact N-O 3.2Å; M676-Y693 PolarHBondContact O-N 2.84Å
677	S	75	Confident	75.1	Confident	34 Å²	34	40.6 Å²	40.6	24%	0.238	23%	0.234	C	C	.	.	S	Bend	trans	54.9	33	-179.2	-168	0	0	0	0	113.6	Y631	Y631-S677 WeakPolarHBondContact O-CA 3.49Å; Y631-S677 PolarHBondContact O-N 2.94Å
678	C	78.9	Confident	75.1	Confident	4 Å²	4	36 Å²	36	3%	0.027	21%	0.214	C	C	.	.			trans	-71.6	166.1	164.7	50.7	0	0	0	0	110.4	R675 M676 V689 V690	R675-C678 HydrophobicContact CB-CB 3.95Å; M676-C678 PolarHBondContact O-N 3.38Å; C678-V689 HydrophobicContact CB-CG1 4.06Å; C678-V690 WeakPolarHBondContact CB-O 3.44Å
679	Q	83.8	Confident	75.1	Confident	56 Å²	56	35.3 Å²	35.3	26%	0.262	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.7	170.6	-62.9	-64.6	-18.6	0	0	109	V689 V690 T725 F727	Q679-V689 WeakPolarHBondContact O-CA 3.36Å; Q679-V690 HydrophobicContact CB-CG1 4.02Å; Q679-V690 PolarHBondContact N-O 3.29Å; Q679-V690 VanDerWaalsContact N-O 3.12Å; Q679-V690 PolarHBondContact O-N 3.5Å; Q679-T725 PolarHBondContact NE2-O 2.89Å; Q679-F727 HydrophobicContact CB-CB 3.5Å; Q679-F727 HydrophobicContact CG-CB 4.4Å
680	A	85.4	Confident	75.6	Confident	10 Å²	10	34.4 Å²	34.4	8%	0.083	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.9	-178.3	0	0	0	0	0	110.6	A633 A635 M644 Y688 V689	A633-A680 HydrophobicContact CB-CB 3.57Å; A635-A680 HydrophobicContact CB-CB 4.02Å; M644-A680 HydrophobicContact CE-CB 3.89Å; M644-A680 HydrophobicContact CG-CB 4.42Å; M644-A680 HydrophobicContact SD-CB 3.82Å; A680-Y688 CarbonylContact C-O 3.54Å; A680-Y688 VanDerWaalsContact CA-O 3.25Å; A680-Y688 WeakPolarHBondContact CA-O 3.44Å; A680-V689 HydrophobicContact CB-CG2 3.98Å
681	V	84.9	Confident	75.6	Confident	23 Å²	23	30.7 Å²	30.7	14%	0.139	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.9	175	82.4	0	0	0	0	111	L444 Y688 F727	L444-V681 HydrophobicContact CD2-CG1 3.51Å; V681-Y688 PolarHBondContact N-O 2.87Å; V681-Y688 PolarHBondContact O-N 3.19Å; V681-F727 HydrophobicContact CB-CD1 4Å; V681-F727 HydrophobicContact CB-CE1 4.28Å; V681-F727 HydrophobicContact CG1-CD1 3.65Å; V681-F727 HydrophobicContact CG1-CE1 3.46Å; V681-F727 VanDerWaalsContact CG1-CE1 3.46Å; V681-F727 HydrophobicContact CG1-CE2 4.34Å; V681-F727 HydrophobicContact CG1-CG 4.19Å; V681-F727 HydrophobicContact CG1-CZ 3.84Å
682	A	75.8	Confident	75.8	Confident	26 Å²	26	30.5 Å²	30.5	22%	0.215	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141.4	170.5	0	0	0	0	0	110.7	V636 L637 K686 L687 S729	V636-A682 WeakPolarHBondContact O-CB 3.47Å; L637-A682 HydrophobicContact CD1-CB 4.14Å; A682-K686 WeakPolarHBondContact CA-O 3.47Å; A682-L687 HydrophobicContact CB-CD2 3.88Å; A682-S729 WeakPolarHBondContact O-CB 3.42Å; A682-S729 PolarHBondContact O-OG 3.33Å
683	S	71.9	Confident	75.9	Confident	7 Å²	7	30.6 Å²	30.6	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	145	174.5	-173.7	0	0	0	0	109.3	H442 N685 K686 Y688 S729	H442-S683 WeakPolarHBondContact CB-OG 3.33Å; S683-N685 VanDerWaalsContact C-N 3.25Å; S683-N685 PolarHBondContact O-N 3.41Å; S683-N685 VanDerWaalsContact O-N 3.08Å; S683-K686 PolarHBondContact N-O 3.02Å; S683-K686 CarbonylContact O-C 3.5Å; S683-K686 PolarHBondContact O-N 3.45Å; S683-Y688 WeakPolarHBondContact O-CE2 3.2Å; S683-S729 PolarHBondContact OG-OG 3.35Å
684	G	60.3	Low	76.1	Confident	49 Å²	49	33.2 Å²	33.2	51%	0.505	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	37.3	173.5	0	0	0	0	0	115.5	K686	G684-K686 PolarHBondContact O-N 2.93Å
685	N	65.3	Low	76	Confident	114 Å²	114	31.5 Å²	31.5	61%	0.61	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	18.8	-173.4	-159.5	40.7	0	0	0	115.9	S683	S683-N685 VanDerWaalsContact C-N 3.25Å; S683-N685 PolarHBondContact O-N 3.41Å; S683-N685 VanDerWaalsContact O-N 3.08Å
686	K	71.4	Confident	75.5	Confident	77 Å²	77	38.2 Å²	38.2	34%	0.335	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	165.6	173.3	-53.4	-164.6	-170.6	-152.9	0	111.3	A682 S683 G684 Y688 D706	A682-K686 WeakPolarHBondContact CA-O 3.47Å; S683-K686 PolarHBondContact N-O 3.02Å; S683-K686 CarbonylContact O-C 3.5Å; S683-K686 PolarHBondContact O-N 3.45Å; G684-K686 PolarHBondContact O-N 2.93Å; K686-Y688 HydrophobicContact CB-CE2 3.96Å; K686-D706 WeakPolarHBondContact CE-OD2 3.44Å; K686-D706 IonicContact NZ-OD2 2.85Å; K686-D706 PolarHBondContact NZ-OD2 3.44Å
687	L	76.9	Confident	75.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.5	178.6	-79.9	165.7	0	0	0	110.3	A635 L637 F642 A682 C704 Y705	A635-L687 HydrophobicContact CB-CD2 3.47Å; A635-L687 VanDerWaalsContact CB-CD2 3.47Å; L637-L687 HydrophobicContact CB-CD1 4.09Å; L637-L687 HydrophobicContact CB-CD2 4.28Å; L637-L687 HydrophobicContact CB-CG 4.1Å; L637-L687 HydrophobicContact CD1-CG 4.46Å; L637-L687 HydrophobicContact CD2-CD1 4Å; L637-L687 HydrophobicContact CD2-CG 4.05Å; L637-L687 HydrophobicContact CG-CG 4.44Å; F642-L687 HydrophobicContact CB-CD1 3.75Å; F642-L687 HydrophobicContact CD1-CD1 3.67Å; F642-L687 HydrophobicContact CD2-CD1 3.58Å; F642-L687 HydrophobicContact CE1-CD1 4.08Å; F642-L687 HydrophobicContact CE2-CD1 4.03Å; F642-L687 HydrophobicContact CG-CD1 3.38Å; F642-L687 HydrophobicContact CZ-CD1 4.24Å; A682-L687 HydrophobicContact CB-CD2 3.88Å; L687-C704 CarbonylContact O-C 3.45Å; L687-C704 VanDerWaalsContact O-CA 3.27Å; L687-C704 WeakPolarHBondContact O-CA 3.49Å; L687-Y705 HydrophobicContact CB-CD1 4.35Å; L687-Y705 HydrophobicContact CD1-CD1 4.04Å; L687-Y705 PolarHBondContact N-O 2.87Å; L687-Y705 PolarHBondContact O-N 3.06Å
688	Y	81.8	Confident	75.1	Confident	9 Å²	9	49 Å²	49	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133	-177.8	-62.6	-104.5	0	0	0	109.5	L444 Q462 A680 V681 S683 K686 D703 C704 I715	L444-Y688 HydrophobicContact CD1-CD1 3.72Å; L444-Y688 HydrophobicContact CD1-CD2 4.21Å; L444-Y688 HydrophobicContact CD1-CE1 3.82Å; L444-Y688 HydrophobicContact CD1-CE2 4.34Å; L444-Y688 HydrophobicContact CD1-CG 3.92Å; Q462-Y688 PolarHBondContact OE1-OH 3.33Å; A680-Y688 CarbonylContact C-O 3.54Å; A680-Y688 VanDerWaalsContact CA-O 3.25Å; A680-Y688 WeakPolarHBondContact CA-O 3.44Å; V681-Y688 PolarHBondContact N-O 2.87Å; V681-Y688 PolarHBondContact O-N 3.19Å; S683-Y688 WeakPolarHBondContact O-CE2 3.2Å; K686-Y688 HydrophobicContact CB-CE2 3.96Å; Y688-D703 CarbonylContact C-O 3.39Å; Y688-D703 WeakPolarHBondContact CA-O 3.28Å; Y688-C704 HydrophobicContact CD1-CB 4.23Å; Y688-C704 HydrophobicContact CE1-CB 4.29Å; Y688-I715 HydrophobicContact CD1-CD1 3.92Å; Y688-I715 HydrophobicContact CE1-CD1 3.48Å; Y688-I715 VanDerWaalsContact CE1-CD1 3.48Å
689	V	84.6	Confident	74.7	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.2	179.3	177.2	0	0	0	0	109.8	M644 C678 Q679 A680 L702 D703 W712	M644-V689 HydrophobicContact CG-CG2 4.25Å; M644-V689 HydrophobicContact SD-CG2 3.25Å; M644-V689 WeakPolarHBondContact SD-CG2 3.47Å; C678-V689 HydrophobicContact CB-CG1 4.06Å; Q679-V689 WeakPolarHBondContact O-CA 3.36Å; A680-V689 HydrophobicContact CB-CG2 3.98Å; V689-L702 WeakPolarHBondContact O-CA 3.41Å; V689-D703 PolarHBondContact N-O 3.19Å; V689-D703 PolarHBondContact O-N 3.32Å; V689-W712 HydrophobicContact CB-CH2 4.43Å; V689-W712 HydrophobicContact CB-CZ3 3.99Å; V689-W712 HydrophobicContact CG2-CH2 3.45Å; V689-W712 VanDerWaalsContact CG2-CH2 3.45Å; V689-W712 HydrophobicContact CG2-CZ3 3.44Å; V689-W712 VanDerWaalsContact CG2-CZ3 3.44Å
690	V	82.4	Confident	74.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.3	-172.7	66.5	0	0	0	0	112.3	L446 C678 Q679 L702 V718 P724 F727	L446-V690 HydrophobicContact CD1-CG2 4.49Å; L446-V690 HydrophobicContact CD2-CB 4.05Å; L446-V690 HydrophobicContact CD2-CG1 3.61Å; L446-V690 HydrophobicContact CD2-CG2 3.64Å; C678-V690 WeakPolarHBondContact CB-O 3.44Å; Q679-V690 HydrophobicContact CB-CG1 4.02Å; Q679-V690 PolarHBondContact N-O 3.29Å; Q679-V690 VanDerWaalsContact N-O 3.12Å; Q679-V690 PolarHBondContact O-N 3.5Å; V690-L702 HydrophobicContact CB-CD1 3.77Å; V690-L702 HydrophobicContact CG2-CD1 4.1Å; V690-V718 HydrophobicContact CG2-CG1 3.63Å; V690-P724 HydrophobicContact CB-CG 4.43Å; V690-P724 HydrophobicContact CG1-CG 3.64Å; V690-P724 HydrophobicContact CG2-CG 4.12Å; V690-F727 HydrophobicContact CB-CD1 4.35Å; V690-F727 HydrophobicContact CB-CE1 4.32Å; V690-F727 HydrophobicContact CG1-CB 3.91Å; V690-F727 HydrophobicContact CG1-CD1 3.49Å; V690-F727 VanDerWaalsContact CG1-CD1 3.49Å; V690-F727 HydrophobicContact CG1-CD2 4.27Å; V690-F727 HydrophobicContact CG1-CE1 3.94Å; V690-F727 HydrophobicContact CG1-CG 3.67Å
691	G	77.6	Confident	73.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.276	C	S	.	.			trans	64	-147.3	170.8	0	0	0	0	0	114.1	R675 C699	R675-G691 WeakPolarHBondContact CD-O 3.26Å; R675-G691 PolarHBondContact NH1-O 3.03Å; G691-C699 CarbonylContact C-O 3.56Å; G691-C699 WeakPolarHBondContact CA-O 3.46Å; G691-C699 WeakPolarHBondContact O-CB 3.4Å
692	G	76.4	Confident	73.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.01	27%	0.27	C	S	.	.			trans	89.8	177.1	-173.4	0	0	0	0	0	113.5	M676 C699	M676-G692 CarbonylContact O-C 3.45Å; M676-G692 WeakPolarHBondContact O-CA 3.3Å; G692-C699 PolarHBondContact O-N 3.34Å
693	Y	71.6	Confident	74	Confident	78 Å²	78	48 Å²	48	31%	0.306	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.2	178	64.4	-84.9	0	0	0	111.8	M676 Q697	M676-Y693 WeakPolarHBondContact CB-O 3.46Å; M676-Y693 HydrophobicContact CE-CD2 3.92Å; M676-Y693 HydrophobicContact CE-CE2 3.59Å; M676-Y693 PolarHBondContact N-O 3.2Å; M676-Y693 PolarHBondContact O-N 2.84Å; Y693-Q697 CarbonylContact C-O 3.59Å; Y693-Q697 VanDerWaalsContact CA-O 3.3Å; Y693-Q697 WeakPolarHBondContact CA-O 3.48Å; Y693-Q697 WeakPolarHBondContact CB-O 3.49Å
694	F	71.8	Confident	74.5	Confident	85 Å²	85	48.2 Å²	48.2	37%	0.373	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	116.1	172.1	-176.7	-99.9	0	0	0	109.7	A652 K674 T696 Q697	A652-F694 HydrophobicContact CB-CD2 4.15Å; A652-F694 HydrophobicContact CB-CE2 4.19Å; K674-F694 HydrophobicContact CB-CB 3.99Å; K674-F694 HydrophobicContact CB-CD1 4.13Å; K674-F694 HydrophobicContact CB-CD2 3.77Å; K674-F694 HydrophobicContact CB-CE2 4.31Å; K674-F694 HydrophobicContact CB-CG 3.67Å; K674-F694 HydrophobicContact CD-CD1 4.06Å; K674-F694 HydrophobicContact CD-CD2 4.21Å; K674-F694 HydrophobicContact CD-CE1 3.76Å; K674-F694 HydrophobicContact CD-CE2 3.92Å; K674-F694 HydrophobicContact CD-CG 4.28Å; K674-F694 HydrophobicContact CD-CZ 3.69Å; K674-F694 WeakPolarHBondContact O-CB 3.44Å; F694-T696 PolarHBondContact O-N 2.86Å; F694-Q697 PolarHBondContact N-O 3.29Å; F694-Q697 PolarHBondContact O-N 3.43Å
695	G	71.1	Confident	75.4	Confident	59 Å²	59	46.4 Å²	46.4	61%	0.608	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-123.9	-168.7	0	0	0	0	0	111.3
696	T	65.6	Low	75.7	Confident	143 Å²	143	41.9 Å²	41.9	88%	0.877	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.5	175.8	53.7	0	0	0	0	113.9	F694	F694-T696 PolarHBondContact O-N 2.86Å
697	Q	67.3	Low	75.5	Confident	146 Å²	146	40.3 Å²	40.3	68%	0.682	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.1	-177.2	-63.8	-173.4	-3.1	0	0	110.9	Y693 F694	Y693-Q697 CarbonylContact C-O 3.59Å; Y693-Q697 VanDerWaalsContact CA-O 3.3Å; Y693-Q697 WeakPolarHBondContact CA-O 3.48Å; Y693-Q697 WeakPolarHBondContact CB-O 3.49Å; F694-Q697 PolarHBondContact N-O 3.29Å; F694-Q697 PolarHBondContact O-N 3.43Å
698	R	71.5	Confident	75.1	Confident	140 Å²	140	45.5 Å²	45.5	53%	0.528	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.3	174.4	-65.8	176	-178.6	136.2	4	109.2	K700 I723	R698-K700 WeakPolarHBondContact O-CD 3.19Å; R698-I723 HydrophobicContact CG-CD1 4.31Å
699	C	72	Confident	74.6	Confident	18 Å²	18	50.9 Å²	50.9	12%	0.122	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-82	125.3	179.2	-62.3	0	0	0	0	109	K674 R675 G691 G692	K674-C699 PolarHBondContact O-SG 3.23Å; R675-C699 HydrophobicContact CG-CB 3.9Å; G691-C699 CarbonylContact C-O 3.56Å; G691-C699 WeakPolarHBondContact CA-O 3.46Å; G691-C699 WeakPolarHBondContact O-CB 3.4Å; G692-C699 PolarHBondContact O-N 3.34Å
700	K	73.4	Confident	74.3	Confident	45 Å²	45	54.9 Å²	54.9	20%	0.196	30%	0.295	C	S	.	.			trans	-125.6	26.4	-168.5	-60.6	135.5	81.4	-51.8	0	113	R698 T717 V718 Y720	R698-K700 WeakPolarHBondContact O-CD 3.19Å; K700-T717 CarbonylContact O-C 3.53Å; K700-T717 WeakPolarHBondContact O-CA 3.29Å; K700-T717 WeakPolarHBondContact O-CB 3.25Å; K700-V718 HydrophobicContact CB-CG2 3.99Å; K700-V718 HydrophobicContact CG-CG2 4.49Å; K700-V718 PolarHBondContact O-N 3.44Å; K700-Y720 HydrophobicContact CD-CD1 4.35Å; K700-Y720 HydrophobicContact CD-CE1 4.28Å; K700-Y720 VanDerWaalsContact CE-CD2 3.41Å
701	T	75.9	Confident	74	Confident	33 Å²	33	56.5 Å²	56.5	20%	0.202	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.1	173.2	48.5	0	0	0	0	110	R675 D703 T716 T717	R675-T701 PolarHBondContact NH1-O 3.46Å; R675-T701 PolarHBondContact NH2-O 3.37Å; R675-T701 PolarHBondContact NH2-OG1 2.99Å; T701-D703 WeakPolarHBondContact CB-OD1 3.48Å; T701-D703 PolarHBondContact OG1-OD1 3.27Å; T701-T716 WeakPolarHBondContact CA-O 2.97Å; T701-T717 HydrophobicContact CG2-CG2 4.09Å
702	L	81.3	Confident	74.2	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	107.8	162	176.4	69.4	0	0	0	107	V460 V689 V690 I715 T716 F727	V460-L702 HydrophobicContact CG1-CD2 3.68Å; V689-L702 WeakPolarHBondContact O-CA 3.41Å; V690-L702 HydrophobicContact CB-CD1 3.77Å; V690-L702 HydrophobicContact CG2-CD1 4.1Å; L702-I715 PolarHBondContact O-N 2.87Å; L702-T716 HydrophobicContact CB-CG2 4.03Å; L702-T716 HydrophobicContact CD2-CG2 4.01Å; L702-T716 PolarHBondContact N-O 3.4Å; L702-F727 HydrophobicContact CD1-CE1 4.18Å; L702-F727 HydrophobicContact CD1-CZ 3.94Å
703	D	83.6	Confident	74.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	147.8	177.4	-59.3	-2.8	0	0	0	109.6	T672 R675 Y688 V689 T701 W712 N713	T672-D703 PolarHBondContact OG1-OD1 3.47Å; T672-D703 PolarHBondContact OG1-OD2 3.12Å; R675-D703 IonicContact CZ-OD2 2.76Å; R675-D703 IonicContact NE-OD2 3.65Å; R675-D703 IonicContact NH2-OD1 2.7Å; R675-D703 PolarHBondContact NH2-OD1 2.96Å; R675-D703 IonicContact NH2-OD2 2.72Å; R675-D703 PolarHBondContact NH2-OD2 3.41Å; Y688-D703 CarbonylContact C-O 3.39Å; Y688-D703 WeakPolarHBondContact CA-O 3.28Å; V689-D703 PolarHBondContact N-O 3.19Å; V689-D703 PolarHBondContact O-N 3.32Å; T701-D703 WeakPolarHBondContact CB-OD1 3.48Å; T701-D703 PolarHBondContact OG1-OD1 3.27Å; D703-W712 HydrophobicContact CB-CE3 3.91Å; D703-W712 HydrophobicContact CB-CZ3 4.37Å; D703-N713 CarbonylContact C-O 3.52Å; D703-N713 WeakPolarHBondContact CA-O 3.29Å
704	C	83.4	Confident	74.7	Confident	12 Å²	12	61.8 Å²	61.8	8%	0.081	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.4	173.9	174.8	0	0	0	0	109.8	L687 Y688 N713 I715	L687-C704 CarbonylContact O-C 3.45Å; L687-C704 VanDerWaalsContact O-CA 3.27Å; L687-C704 WeakPolarHBondContact O-CA 3.49Å; Y688-C704 HydrophobicContact CD1-CB 4.23Å; Y688-C704 HydrophobicContact CE1-CB 4.29Å; C704-N713 PolarHBondContact N-O 3.44Å; C704-N713 PolarHBondContact O-N 3.25Å; C704-I715 HydrophobicContact CB-CG1 3.74Å; C704-I715 HydrophobicContact CB-CD1 3.39Å
705	Y	78.5	Confident	74.9	Confident	10 Å²	10	59.9 Å²	59.9	4%	0.039	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.3	171.7	172.7	-97.3	0	0	0	110.3	F642 L687 P707 D710 A711 W712	F642-Y705 AromaticContact CE1-CE1 3.82Å; F642-Y705 HydrophobicContact CE1-CE1 3.82Å; F642-Y705 HydrophobicContact CZ-CE1 4.35Å; L687-Y705 HydrophobicContact CB-CD1 4.35Å; L687-Y705 HydrophobicContact CD1-CD1 4.04Å; L687-Y705 PolarHBondContact N-O 2.87Å; L687-Y705 PolarHBondContact O-N 3.06Å; Y705-P707 HydrophobicContact CE1-CB 4.01Å; Y705-D710 WeakPolarHBondContact CE2-OD1 3.45Å; Y705-D710 PolarHBondContact OH-OD1 3.07Å; Y705-A711 WeakPolarHBondContact CA-O 3.34Å; Y705-W712 HydrophobicContact CG-CD2 4.31Å; Y705-W712 HydrophobicContact CG-CZ2 4.05Å; Y705-W712 HydrophobicContact CG-CH2 4.38Å; Y705-W712 AromaticContact CD2-NE1 3.58Å; Y705-W712 HydrophobicContact CD2-CZ2 4.08Å; Y705-W712 HydrophobicContact CD2-CG 4.16Å; Y705-W712 AromaticContact CD2-CE2 3.66Å; Y705-W712 HydrophobicContact CD2-CD2 4.05Å; Y705-W712 AromaticContact CD2-CD1 3.89Å
706	D	70.8	Confident	74.8	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.102	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.4	171.8	-160.8	-50.8	0	0	0	110	K686 T708 L709 D710 A711	K686-D706 WeakPolarHBondContact CE-OD2 3.44Å; K686-D706 IonicContact NZ-OD2 2.85Å; K686-D706 PolarHBondContact NZ-OD2 3.44Å; D706-T708 PolarHBondContact O-N 3.36Å; D706-T708 WeakPolarHBondContact OD1-CB 3.48Å; D706-T708 PolarHBondContact OD1-N 3.48Å; D706-T708 PolarHBondContact OD1-OG1 3.36Å; D706-L709 HydrophobicContact CB-CB 4.43Å; D706-L709 PolarHBondContact O-N 3.41Å; D706-D710 PolarHBondContact O-N 3.38Å; D706-A711 PolarHBondContact N-O 3.3Å; D706-A711 PolarHBondContact O-N 3.43Å
707	P	67.4	Low	74.9	Confident	45 Å²	45	56.1 Å²	56.1	29%	0.292	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.3	-178.8	33	-40.4	0	0	0	113.4	L637 Y705	L637-P707 HydrophobicContact CD2-CB 3.93Å; L637-P707 HydrophobicContact CD2-CG 3.86Å; Y705-P707 HydrophobicContact CE1-CB 4.01Å
708	T	69.8	Low	74.9	Confident	110 Å²	110	49.2 Å²	49.2	68%	0.675	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-28	-180	67.2	0	0	0	0	112.2	D706	D706-T708 PolarHBondContact O-N 3.36Å; D706-T708 WeakPolarHBondContact OD1-CB 3.48Å; D706-T708 PolarHBondContact OD1-N 3.48Å; D706-T708 PolarHBondContact OD1-OG1 3.36Å
709	L	71.3	Confident	74.3	Confident	121 Å²	121	45.5 Å²	45.5	63%	0.634	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-8	-178.8	-58.6	176.7	0	0	0	113.5	D706 A711	D706-L709 HydrophobicContact CB-CB 4.43Å; D706-L709 PolarHBondContact O-N 3.41Å; L709-A711 HydrophobicContact CB-CB 4.02Å; L709-A711 PolarHBondContact O-N 3.39Å
710	D	77.6	Confident	73.2	Confident	86 Å²	86	54.1 Å²	54.1	46%	0.46	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	41.6	-169.9	-167.7	17.4	0	0	0	112.2	G669 Y705 D706	G669-D710 PolarHBondContact N-OD1 3.44Å; Y705-D710 WeakPolarHBondContact CE2-OD1 3.45Å; Y705-D710 PolarHBondContact OH-OD1 3.07Å; D706-D710 PolarHBondContact O-N 3.38Å
711	A	76.4	Confident	72.1	Confident	34 Å²	34	53.9 Å²	53.9	28%	0.281	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140	-169.6	0	0	0	0	0	112.7	Y705 D706 L709	Y705-A711 WeakPolarHBondContact CA-O 3.34Å; D706-A711 PolarHBondContact N-O 3.3Å; D706-A711 PolarHBondContact O-N 3.43Å; L709-A711 HydrophobicContact CB-CB 4.02Å; L709-A711 PolarHBondContact O-N 3.39Å
712	W	81	Confident	71.2	Confident	28 Å²	28	52.5 Å²	52.5	11%	0.106	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.3	173.5	-69.9	93.2	0	0	0	111.2	M644 A655 G669 D670 V671 T672 V689 D703 Y705	M644-W712 HydrophobicContact SD-CH2 3.74Å; M644-W712 HydrophobicContact SD-CZ2 4.27Å; A655-W712 HydrophobicContact CB-CZ2 4.32Å; G669-W712 PolarHBondContact O-NE1 3.46Å; D670-W712 VanDerWaalsContact O-CD1 3.22Å; V671-W712 HydrophobicContact CG2-CD2 4.47Å; V671-W712 HydrophobicContact CG2-CH2 4.38Å; V671-W712 HydrophobicContact CG2-CZ2 3.84Å; T672-W712 HydrophobicContact CG2-CB 3.63Å; V689-W712 HydrophobicContact CB-CH2 4.43Å; V689-W712 HydrophobicContact CB-CZ3 3.99Å; V689-W712 HydrophobicContact CG2-CH2 3.45Å; V689-W712 VanDerWaalsContact CG2-CH2 3.45Å; V689-W712 HydrophobicContact CG2-CZ3 3.44Å; V689-W712 VanDerWaalsContact CG2-CZ3 3.44Å; D703-W712 HydrophobicContact CB-CE3 3.91Å; D703-W712 HydrophobicContact CB-CZ3 4.37Å; Y705-W712 HydrophobicContact CG-CD2 4.31Å; Y705-W712 HydrophobicContact CG-CZ2 4.05Å; Y705-W712 HydrophobicContact CG-CH2 4.38Å; Y705-W712 AromaticContact CD2-NE1 3.58Å; Y705-W712 HydrophobicContact CD2-CZ2 4.08Å; Y705-W712 HydrophobicContact CD2-CG 4.16Å; Y705-W712 AromaticContact CD2-CE2 3.66Å; Y705-W712 HydrophobicContact CD2-CD2 4.05Å; Y705-W712 AromaticContact CD2-CD1 3.89Å
713	N	79.9	Confident	70.2	Confident	93 Å²	93	55 Å²	55	50%	0.497	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.6	177.4	-66.9	-56.7	0	0	0	110.6	D703 C704	D703-N713 CarbonylContact C-O 3.52Å; D703-N713 WeakPolarHBondContact CA-O 3.29Å; C704-N713 PolarHBondContact N-O 3.44Å; C704-N713 PolarHBondContact O-N 3.25Å
714	S	79.3	Confident	69.2	Low	68 Å²	68	55.1 Å²	55.1	48%	0.476	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	120.7	172.4	174.8	0	0	0	0	110
715	I	74.9	Confident	68.5	Low	46 Å²	46	55.9 Å²	55.9	24%	0.236	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-53.6	178.3	-67.1	-177.3	0	0	0	111	K465 Y688 L702 C704	K465-I715 HydrophobicContact CB-CG2 4.46Å; K465-I715 HydrophobicContact CD-CG2 4.46Å; K465-I715 HydrophobicContact CG-CG2 4.15Å; Y688-I715 HydrophobicContact CD1-CD1 3.92Å; Y688-I715 HydrophobicContact CE1-CD1 3.48Å; Y688-I715 VanDerWaalsContact CE1-CD1 3.48Å; L702-I715 PolarHBondContact O-N 2.87Å; C704-I715 HydrophobicContact CB-CG1 3.74Å; C704-I715 HydrophobicContact CB-CD1 3.39Å
716	T	70.8	Confident	68.3	Low	29 Å²	29	55.6 Å²	55.6	18%	0.178	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	170.4	-173.4	-168	0	0	0	0	110.8	K465 I467 T701 L702	K465-T716 WeakPolarHBondContact O-CB 3.46Å; K465-T716 PolarHBondContact O-OG1 2.84Å; I467-T716 HydrophobicContact CD1-CG2 4.33Å; T701-T716 WeakPolarHBondContact CA-O 2.97Å; L702-T716 HydrophobicContact CB-CG2 4.03Å; L702-T716 HydrophobicContact CD2-CG2 4.01Å; L702-T716 PolarHBondContact N-O 3.4Å
717	T	67.8	Low	68.8	Low	93 Å²	93	55.2 Å²	55.2	57%	0.571	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.4	175.6	56.1	0	0	0	0	111.5	K700 T701	K700-T717 CarbonylContact O-C 3.53Å; K700-T717 WeakPolarHBondContact O-CA 3.29Å; K700-T717 WeakPolarHBondContact O-CB 3.25Å; T701-T717 HydrophobicContact CG2-CG2 4.09Å
718	V	66.7	Low	69.4	Low	1 Å²	1	53.4 Å²	53.4	1%	0.006	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-74.5	141.2	169.6	-58	0	0	0	0	110.2	L446 I467 V690 K700 L722	L446-V718 HydrophobicContact CD1-CG1 4.41Å; I467-V718 HydrophobicContact CD1-CB 4.17Å; I467-V718 HydrophobicContact CD1-CG1 3.67Å; V690-V718 HydrophobicContact CG2-CG1 3.63Å; K700-V718 HydrophobicContact CB-CG2 3.99Å; K700-V718 HydrophobicContact CG-CG2 4.49Å; K700-V718 PolarHBondContact O-N 3.44Å; V718-L722 HydrophobicContact CB-CB 4.1Å; V718-L722 HydrophobicContact CG2-CB 4.32Å
719	P	58.1	Low	69.8	Low	62 Å²	62	49.3 Å²	49.3	40%	0.403	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-49.3	148	171.3	-28.6	33.8	0	0	0	112.5	S721 L722	P719-S721 PolarHBondContact O-N 3.33Å; P719-L722 HydrophobicContact CB-CD1 4.2Å; P719-L722 HydrophobicContact CG-CD1 4.02Å; P719-L722 PolarHBondContact O-N 3.06Å
720	Y	50.2	Low	69.7	Low	199 Å²	199	43.7 Å²	43.7	78%	0.78	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-14.9	-170.8	-106	-93.3	0	0	0	115.8	K700	K700-Y720 HydrophobicContact CD-CD1 4.35Å; K700-Y720 HydrophobicContact CD-CE1 4.28Å; K700-Y720 VanDerWaalsContact CE-CD2 3.41Å
721	S	50	Low	68.8	Low	40 Å²	40	43.9 Å²	43.9	28%	0.28	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-20	-179.6	53.9	0	0	0	0	115.5	G449 P719 I723	G449-S721 CarbonylContact C-O 3.58Å; G449-S721 CarbonylContact O-C 3.55Å; G449-S721 WeakPolarHBondContact O-CB 3.27Å; P719-S721 PolarHBondContact O-N 3.33Å; S721-I723 VanDerWaalsContact O-N 3.15Å; S721-I723 PolarHBondContact O-N 3.48Å
722	L	56.7	Low	67.3	Low	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.237	C	C	.	.			trans	-82.7	91.5	-170.2	-100.4	134.5	0	0	0	112.5	L446 G448 Y458 V718 P719 P724	L446-L722 HydrophobicContact CB-CD2 4.2Å; L446-L722 HydrophobicContact CD1-CD2 4.44Å; G448-L722 WeakPolarHBondContact O-CD2 3.49Å; Y458-L722 HydrophobicContact CD1-CD1 4.3Å; Y458-L722 HydrophobicContact CD2-CD1 4.2Å; Y458-L722 HydrophobicContact CD2-CD2 3.83Å; Y458-L722 HydrophobicContact CD2-CG 4.43Å; Y458-L722 HydrophobicContact CE1-CD1 4.05Å; Y458-L722 HydrophobicContact CE2-CD1 3.93Å; Y458-L722 HydrophobicContact CE2-CD2 3.91Å; Y458-L722 HydrophobicContact CE2-CG 4.09Å; Y458-L722 HydrophobicContact CG-CD1 4.38Å; V718-L722 HydrophobicContact CB-CB 4.1Å; V718-L722 HydrophobicContact CG2-CB 4.32Å; P719-L722 HydrophobicContact CB-CD1 4.2Å; P719-L722 HydrophobicContact CG-CD1 4.02Å; P719-L722 PolarHBondContact O-N 3.06Å; L722-P724 WeakPolarHBondContact O-CD 3.5Å
723	I	60.3	Low	65.5	Low	54 Å²	54	47.9 Å²	47.9	28%	0.277	25%	0.249	S	C	.	.			trans	-95.4	100	150	-57.8	176.2	0	0	0	106	R698 S721 T725	R698-I723 HydrophobicContact CG-CD1 4.31Å; S721-I723 VanDerWaalsContact O-N 3.15Å; S721-I723 PolarHBondContact O-N 3.48Å; I723-T725 PolarHBondContact O-N 3.33Å
724	P	62.3	Low	63.4	Low	3 Å²	3	45.7 Å²	45.7	2%	0.019	24%	0.237	C	C	.	.			trans	-65.8	129.4	179.5	26	-31.9	0	0	0	109.5	L446 V690 L722 A726	L446-P724 HydrophobicContact CD2-CB 4.11Å; L446-P724 HydrophobicContact CD2-CG 4.18Å; V690-P724 HydrophobicContact CB-CG 4.43Å; V690-P724 HydrophobicContact CG1-CG 3.64Å; V690-P724 HydrophobicContact CG2-CG 4.12Å; L722-P724 WeakPolarHBondContact O-CD 3.5Å; P724-A726 VanDerWaalsContact C-N 3.35Å
725	T	67.9	Low	61	Low	29 Å²	29	46 Å²	46	18%	0.178	24%	0.237	C	C	.	.	S	Bend	trans	-77.9	-27.4	174.8	-68.7	0	0	0	0	110.9	L447 C454 F480 Q679 I723	L447-T725 PolarHBondContact O-N 2.85Å; C454-T725 PolarHBondContact SG-OG1 2.87Å; F480-T725 HydrophobicContact CD1-CG2 3.55Å; F480-T725 HydrophobicContact CD2-CG2 4.19Å; F480-T725 HydrophobicContact CE1-CG2 3.52Å; F480-T725 HydrophobicContact CE2-CG2 4.18Å; F480-T725 HydrophobicContact CG-CG2 3.9Å; F480-T725 HydrophobicContact CZ-CG2 3.86Å; F480-T725 WeakPolarHBondContact O-CG2 3.37Å; Q679-T725 PolarHBondContact NE2-O 2.89Å; I723-T725 PolarHBondContact O-N 3.33Å
726	A	74.3	Confident	58.8	Low	4 Å²	4	50.1 Å²	50.1	3%	0.033	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.2	167	0	0	0	0	0	111.1	L447 F480 A482 P724	L447-A726 HydrophobicContact CB-CB 4.28Å; L447-A726 HydrophobicContact CD1-CB 4.05Å; L447-A726 PolarHBondContact N-O 2.87Å; L447-A726 PolarHBondContact O-N 3.03Å; F480-A726 HydrophobicContact CE2-CB 4.06Å; A482-A726 HydrophobicContact CB-CB 3.56Å; P724-A726 VanDerWaalsContact C-N 3.35Å
727	F	81.6	Confident	58.2	Low	11 Å²	11	51.2 Å²	51.2	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.4	174.1	-175.9	-148.8	0	0	0	107.8	L444 F445 L446 V460 Q679 V681 V690 L702	L444-F727 HydrophobicContact CB-CE2 4Å; L444-F727 HydrophobicContact CB-CZ 4.33Å; L444-F727 HydrophobicContact CD1-CZ 4.26Å; L444-F727 HydrophobicContact CD2-CE2 4.2Å; L444-F727 HydrophobicContact CD2-CZ 4.01Å; L444-F727 HydrophobicContact CG-CZ 4.44Å; F445-F727 WeakPolarHBondContact O-CD2 3.41Å; L446-F727 HydrophobicContact CD2-CB 4.46Å; L446-F727 HydrophobicContact CD2-CD2 3.35Å; L446-F727 HydrophobicContact CD2-CE2 3.6Å; L446-F727 HydrophobicContact CD2-CG 3.99Å; L446-F727 HydrophobicContact CD2-CZ 4.4Å; L446-F727 HydrophobicContact CG-CD2 4.06Å; L446-F727 HydrophobicContact CG-CE2 4.08Å; V460-F727 HydrophobicContact CG2-CE2 4.5Å; Q679-F727 HydrophobicContact CB-CB 3.5Å; Q679-F727 HydrophobicContact CG-CB 4.4Å; V681-F727 HydrophobicContact CB-CD1 4Å; V681-F727 HydrophobicContact CB-CE1 4.28Å; V681-F727 HydrophobicContact CG1-CD1 3.65Å; V681-F727 HydrophobicContact CG1-CE1 3.46Å; V681-F727 VanDerWaalsContact CG1-CE1 3.46Å; V681-F727 HydrophobicContact CG1-CE2 4.34Å; V681-F727 HydrophobicContact CG1-CG 4.19Å; V681-F727 HydrophobicContact CG1-CZ 3.84Å; V690-F727 HydrophobicContact CB-CD1 4.35Å; V690-F727 HydrophobicContact CB-CE1 4.32Å; V690-F727 HydrophobicContact CG1-CB 3.91Å; V690-F727 HydrophobicContact CG1-CD1 3.49Å; V690-F727 VanDerWaalsContact CG1-CD1 3.49Å; V690-F727 HydrophobicContact CG1-CD2 4.27Å; V690-F727 HydrophobicContact CG1-CE1 3.94Å; V690-F727 HydrophobicContact CG1-CG 3.67Å; L702-F727 HydrophobicContact CD1-CE1 4.18Å; L702-F727 HydrophobicContact CD1-CZ 3.94Å
728	V	81.6	Confident	57.7	Low	6 Å²	6	49 Å²	49	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.5	-175.7	-59.5	0	0	0	0	110.8	F445 L447 A482 A484 V489	F445-V728 HydrophobicContact CB-CG2 3.84Å; F445-V728 PolarHBondContact N-O 3.44Å; F445-V728 PolarHBondContact O-N 3.12Å; L447-V728 HydrophobicContact CD1-CG1 4.1Å; L447-V728 HydrophobicContact CD1-CG2 3.89Å; A482-V728 HydrophobicContact CB-CG1 4.08Å; A484-V728 HydrophobicContact CB-CB 4.38Å; V489-V728 HydrophobicContact CG1-CG2 3.88Å; V489-V728 HydrophobicContact CG2-CG2 3.93Å
729	S	78.1	Confident	57.2	Low	25 Å²	25	51.7 Å²	51.7	18%	0.175	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.2	170.5	-174.9	0	0	0	0	106.8	A443 A484 A682 S683	A443-S729 WeakPolarHBondContact O-CA 3.43Å; A484-S729 VanDerWaalsContact CB-O 3.29Å; A484-S729 WeakPolarHBondContact CB-O 3.42Å; A682-S729 WeakPolarHBondContact O-CB 3.42Å; A682-S729 PolarHBondContact O-OG 3.33Å; S683-S729 PolarHBondContact OG-OG 3.35Å
730	T	67.9	Low	57.2	Low	3 Å²	3	51.1 Å²	51.1	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	167.7	-178	-170.1	0	0	0	0	109.5	H442 A443 F445 G486 V489 T510 K732	H442-T730 CarbonylContact C-O 3.3Å; H442-T730 WeakPolarHBondContact CA-O 3.5Å; A443-T730 HydrophobicContact CB-CG2 4.05Å; A443-T730 PolarHBondContact N-O 3.19Å; A443-T730 PolarHBondContact O-N 3.36Å; F445-T730 HydrophobicContact CD2-CG2 3.41Å; F445-T730 VanDerWaalsContact CD2-CG2 3.41Å; F445-T730 HydrophobicContact CE2-CG2 3.4Å; G486-T730 PolarHBondContact O-OG1 2.76Å; V489-T730 HydrophobicContact CG2-CG2 4.28Å; T510-T730 HydrophobicContact CG2-CG2 3.89Å; T730-K732 PolarHBondContact O-N 2.9Å
731	W	59.4	Low	57.6	Low	90 Å²	90	41.8 Å²	41.8	34%	0.341	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.2	170.9	-55.6	85	0	0	0	108.1	P437 H442 T510 H733	P437-W731 HydrophobicContact CB-CE3 3.96Å; P437-W731 HydrophobicContact CB-CZ3 3.97Å; P437-W731 HydrophobicContact CG-CE3 3.97Å; P437-W731 HydrophobicContact CG-CZ3 4.23Å; H442-W731 AromaticContact CE1-CE3 3.86Å; H442-W731 AromaticContact CE1-CH2 3.66Å; H442-W731 AromaticContact CE1-CZ2 3.84Å; H442-W731 AromaticContact CE1-CZ3 3.66Å; T510-W731 PolarHBondContact OG1-O 3.29Å; W731-H733 PolarHBondContact O-N 3.42Å
732	K	45.5	Very low	58.1	Low	70 Å²	70	41.9 Å²	41.9	30%	0.304	24%	0.242	S	C	.	.			trans	-70.4	109	170.4	-165.7	-172.9	-179.3	-168.8	0	105.8	E352 S441 A443 T730 L734	E352-K732 IonicContact OE1-NZ 3.6Å; S441-K732 WeakPolarHBondContact O-CA 3.42Å; S441-K732 WeakPolarHBondContact O-CB 3.41Å; S441-K732 PolarHBondContact O-N 3.42Å; S441-K732 PolarHBondContact OG-O 3.35Å; A443-K732 HydrophobicContact CB-CB 3.72Å; A443-K732 HydrophobicContact CB-CG 4.11Å; T730-K732 PolarHBondContact O-N 2.9Å; K732-L734 HydrophobicContact CD-CD1 4.29Å; K732-L734 HydrophobicContact CD-CD2 4.1Å; K732-L734 HydrophobicContact CD-CG 4.02Å; K732-L734 VanDerWaalsContact CE-CD2 3.42Å; K732-L734 HydrophobicContact CG-CG 4.23Å
733	H	42	Very low	58.2	Low	75 Å²	75	44.6 Å²	44.6	35%	0.347	26%	0.258	S	S	.	.			trans	-74.8	139.3	152.6	-166.4	68.6	0	0	0	107.4	V511 W731	V511-H733 HydrophobicContact CB-CB 4.26Å; V511-H733 HydrophobicContact CG2-CB 3.74Å; W731-H733 PolarHBondContact O-N 3.42Å
734	L	36.6	Very low	58.1	Low	47 Å²	47	43.9 Å²	43.9	25%	0.246	26%	0.257	C	S	.	.			trans	-106.7	107.2	173.3	-83	153.2	0	0	0	105.7	E352 K732	E352-L734 HydrophobicContact CB-CD1 3.75Å; E352-L734 HydrophobicContact CG-CD1 3.97Å; E352-L734 VanDerWaalsContact O-CD1 3.31Å; E352-L734 WeakPolarHBondContact O-CD1 3.46Å; K732-L734 HydrophobicContact CD-CD1 4.29Å; K732-L734 HydrophobicContact CD-CD2 4.1Å; K732-L734 HydrophobicContact CD-CG 4.02Å; K732-L734 VanDerWaalsContact CE-CD2 3.42Å; K732-L734 HydrophobicContact CG-CG 4.23Å
735	P	28.9	Very low	57.7	Low	74 Å²	74	47.3 Å²	47.3	48%	0.481	28%	0.276	S	S	.	.			trans	-61.5	146.5	170.3	26.6	-32.4	0	0	0	109.5
736	A	28.8	Very low	56.8	Low	134 Å²	134	49 Å²	49	100%	1.107	29%	0.285	S	S	*	.			trans	-72.9	0	-170	0	0	0	0	0	114.6

Retrieved 736 of 736 residues in 1223.8 ms (Link to these results)

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