A0A5K4FDE5_SCHMA Loading...

JmjC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 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	42.4	Very low	41.3	Very low	162 Å²	162	107.4 Å²	107.4	80%	0.798	55%	0.545	S	S	*	.				0	114.5	0	-154	160.5	88.6	0	0	106.4	D5 Y6	M1-D5 HydrophobicContact CG-CB 4.05Å; M1-Y6 HydrophobicContact CE-CD2 3.38Å; M1-Y6 HydrophobicContact CE-CE2 4.43Å; M1-Y6 HydrophobicContact CE-CG 3.99Å
2	L	36.2	Very low	41.6	Very low	121 Å²	121	102.3 Å²	102.3	63%	0.634	53%	0.525	S	S	*	.			trans	-62.2	143.6	178.7	-75.2	154.1	0	0	0	107.8	K4 D5 Y6	L2-K4 HydrophobicContact CB-CB 4.26Å; L2-K4 PolarHBondContact O-N 3.11Å; L2-D5 WeakPolarHBondContact CB-OD2 3.3Å; L2-D5 PolarHBondContact N-OD2 3.4Å; L2-D5 VanDerWaalsContact N-OD2 3.09Å; L2-D5 WeakPolarHBondContact O-CA 3.47Å; L2-D5 WeakPolarHBondContact O-CB 3.4Å; L2-D5 PolarHBondContact O-N 2.99Å; L2-Y6 PolarHBondContact O-N 3.12Å
3	I	34	Very low	42.3	Very low	133 Å²	133	98.7 Å²	98.7	68%	0.682	52%	0.515	S	S	*	.	H	α-helix	trans	-49.1	-34	170.3	-76.9	169.9	0	0	0	109.9	Y6 L7	I3-Y6 PolarHBondContact O-N 2.83Å; I3-L7 HydrophobicContact CG2-CD1 3.68Å; I3-L7 HydrophobicContact CG2-CG 4.15Å; I3-L7 WeakPolarHBondContact O-CB 3.48Å; I3-L7 WeakPolarHBondContact O-CG 3.3Å; I3-L7 PolarHBondContact O-N 2.99Å
4	K	37.4	Very low	43	Very low	143 Å²	143	98.7 Å²	98.7	62%	0.622	53%	0.527	S	S	*	.	H	α-helix	trans	-60	-46.4	172.8	-160.8	179.1	178.2	-170.2	0	113.3	L2 L7 D8	L2-K4 HydrophobicContact CB-CB 4.26Å; L2-K4 PolarHBondContact O-N 3.11Å; K4-L7 PolarHBondContact O-N 3.48Å; K4-D8 WeakPolarHBondContact O-CB 3.5Å; K4-D8 VanDerWaalsContact O-CG 3.28Å; K4-D8 PolarHBondContact O-N 3.19Å
5	D	40.5	Very low	44.2	Very low	70 Å²	70	100.3 Å²	100.3	37%	0.374	54%	0.536	S	S	.	.	H	α-helix	trans	-66.2	-38.6	177.5	-53.9	-33	0	0	0	111.6	M1 L2 Q9	M1-D5 HydrophobicContact CG-CB 4.05Å; L2-D5 WeakPolarHBondContact CB-OD2 3.3Å; L2-D5 PolarHBondContact N-OD2 3.4Å; L2-D5 VanDerWaalsContact N-OD2 3.09Å; L2-D5 WeakPolarHBondContact O-CA 3.47Å; L2-D5 WeakPolarHBondContact O-CB 3.4Å; L2-D5 PolarHBondContact O-N 2.99Å; D5-Q9 WeakPolarHBondContact O-CB 3.49Å; D5-Q9 VanDerWaalsContact O-CG 3.3Å; D5-Q9 WeakPolarHBondContact O-CG 3.3Å; D5-Q9 PolarHBondContact O-N 2.94Å
6	Y	35.6	Very low	44.8	Very low	98 Å²	98	100.6 Å²	100.6	38%	0.384	53%	0.533	S	S	.	.	H	α-helix	trans	-65.7	-42.7	175.1	-178.2	-102	0	0	0	111.4	M1 L2 I3 Q9 N10 W65	M1-Y6 HydrophobicContact CE-CD2 3.38Å; M1-Y6 HydrophobicContact CE-CE2 4.43Å; M1-Y6 HydrophobicContact CE-CG 3.99Å; L2-Y6 PolarHBondContact O-N 3.12Å; I3-Y6 PolarHBondContact O-N 2.83Å; Y6-Q9 PolarHBondContact O-N 3.39Å; Y6-N10 VanDerWaalsContact CD2-ND2 3.26Å; Y6-N10 WeakPolarHBondContact CD2-ND2 3.34Å; Y6-N10 WeakPolarHBondContact CE2-ND2 3.34Å; Y6-N10 VanDerWaalsContact O-CB 3.27Å; Y6-N10 WeakPolarHBondContact O-CB 3.37Å; Y6-N10 PolarHBondContact O-N 3.35Å; Y6-N10 PolarHBondContact O-ND2 3.09Å; Y6-W65 HydrophobicContact CE1-CH2 4.15Å; Y6-W65 AromaticContact CE1-CZ2 3.86Å; Y6-W65 HydrophobicContact CE1-CZ2 3.86Å
7	L	36.3	Very low	45.2	Very low	55 Å²	55	98.5 Å²	98.5	29%	0.288	52%	0.518	S	S	.	.	H	α-helix	trans	-67.7	-39.9	176.9	-72.2	173.1	0	0	0	111.6	I3 K4 Q9 N10 A11	I3-L7 HydrophobicContact CG2-CD1 3.68Å; I3-L7 HydrophobicContact CG2-CG 4.15Å; I3-L7 WeakPolarHBondContact O-CB 3.48Å; I3-L7 WeakPolarHBondContact O-CG 3.3Å; I3-L7 PolarHBondContact O-N 2.99Å; K4-L7 PolarHBondContact O-N 3.48Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-N10 CarbonylContact O-C 3.57Å; L7-N10 PolarHBondContact O-N 2.79Å; L7-A11 WeakPolarHBondContact O-CA 3.43Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 2.8Å
8	D	50.5	Low	45.9	Very low	115 Å²	115	101.7 Å²	101.7	62%	0.615	52%	0.524	S	S	*	.	H	α-helix	trans	-68.5	-33.9	177.8	-73.1	-19.9	0	0	0	111.6	K4	K4-D8 WeakPolarHBondContact O-CB 3.5Å; K4-D8 VanDerWaalsContact O-CG 3.28Å; K4-D8 PolarHBondContact O-N 3.19Å
9	Q	50.3	Low	46.5	Very low	144 Å²	144	102.1 Å²	102.1	67%	0.673	53%	0.527	S	S	*	.	H	α-helix	trans	-79.2	-24.8	175.5	-73.3	-179.9	-1	0	0	114	D5 Y6 L7	D5-Q9 WeakPolarHBondContact O-CB 3.49Å; D5-Q9 VanDerWaalsContact O-CG 3.3Å; D5-Q9 WeakPolarHBondContact O-CG 3.3Å; D5-Q9 PolarHBondContact O-N 2.94Å; Y6-Q9 PolarHBondContact O-N 3.39Å; L7-Q9 VanDerWaalsContact C-N 3.34Å
10	N	48.4	Very low	46.6	Very low	78 Å²	78	99.2 Å²	99.2	42%	0.417	51%	0.512	S	S	.	.	H	α-helix	trans	-117.9	12.2	-175.4	-61.2	-83.2	0	0	0	113.4	Y6 L7 P12	Y6-N10 VanDerWaalsContact CD2-ND2 3.26Å; Y6-N10 WeakPolarHBondContact CD2-ND2 3.34Å; Y6-N10 WeakPolarHBondContact CE2-ND2 3.34Å; Y6-N10 VanDerWaalsContact O-CB 3.27Å; Y6-N10 WeakPolarHBondContact O-CB 3.37Å; Y6-N10 PolarHBondContact O-N 3.35Å; Y6-N10 PolarHBondContact O-ND2 3.09Å; L7-N10 CarbonylContact O-C 3.57Å; L7-N10 PolarHBondContact O-N 2.79Å; N10-P12 WeakPolarHBondContact O-CD 3.43Å
11	A	43.1	Very low	47	Very low	62 Å²	62	96 Å²	96	51%	0.512	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-63.4	123.7	175.2	0	0	0	0	0	108.9	L7 S13	L7-A11 WeakPolarHBondContact O-CA 3.43Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 2.8Å; A11-S13 PolarHBondContact O-N 3.5Å
12	P	44.1	Very low	47.6	Very low	47 Å²	47	92.9 Å²	92.9	31%	0.305	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-61.1	134.2	174	23.2	-30.1	0	0	0	109.3	N10 Q16	N10-P12 WeakPolarHBondContact O-CD 3.43Å; P12-Q16 VanDerWaalsContact CA-OE1 3.29Å; P12-Q16 HydrophobicContact CB-CB 3.54Å
13	S	51.4	Low	48.4	Very low	55 Å²	55	91.1 Å²	91.1	39%	0.385	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-52.6	158.5	164.9	59.6	0	0	0	0	110.6	A11 D15 Q16 F17	A11-S13 PolarHBondContact O-N 3.5Å; S13-D15 PolarHBondContact O-N 2.98Å; S13-D15 VanDerWaalsContact O-N 3.09Å; S13-Q16 CarbonylContact O-C 3.57Å; S13-Q16 WeakPolarHBondContact O-CA 3.49Å; S13-Q16 WeakPolarHBondContact O-CB 3Å; S13-Q16 PolarHBondContact O-N 2.92Å; S13-Q16 WeakPolarHBondContact OG-CB 3.36Å; S13-Q16 VanDerWaalsContact OG-CG 3.3Å; S13-Q16 WeakPolarHBondContact OG-CG 3.3Å; S13-Q16 PolarHBondContact OG-N 3.11Å; S13-Q16 PolarHBondContact OG-OE1 3.41Å; S13-Q16 VanDerWaalsContact OG-OE1 3.11Å; S13-F17 PolarHBondContact O-N 3.1Å
14	S	51.8	Low	49.3	Very low	99 Å²	99	90.5 Å²	90.5	69%	0.692	47%	0.466	S	S	*	.	H	α-helix	trans	-51	-35.5	175	-58.1	0	0	0	0	112.5	F17 Y18	S14-F17 PolarHBondContact O-N 2.99Å; S14-Y18 WeakPolarHBondContact O-CB 3.32Å; S14-Y18 PolarHBondContact O-N 2.76Å
15	D	60.8	Low	49.9	Very low	122 Å²	122	89 Å²	89	65%	0.652	46%	0.46	S	S	*	.	H	α-helix	trans	-70.7	-45.1	177	-60.9	-32.1	0	0	0	111.4	S13 F17 Y18 D19	S13-D15 PolarHBondContact O-N 2.98Å; S13-D15 VanDerWaalsContact O-N 3.09Å; D15-F17 VanDerWaalsContact C-N 3.3Å; D15-F17 PolarHBondContact O-N 3.27Å; D15-Y18 CarbonylContact O-C 3.6Å; D15-Y18 WeakPolarHBondContact O-CB 3.18Å; D15-Y18 PolarHBondContact O-N 3.04Å; D15-Y18 VanDerWaalsContact O-N 3.12Å; D15-D19 PolarHBondContact O-N 3.22Å
16	Q	54.3	Low	50.5	Low	106 Å²	106	88.6 Å²	88.6	50%	0.495	46%	0.458	S	S	.	.	H	α-helix	trans	-61.8	-37.7	173.2	-75.2	169	-43.5	0	0	112.2	P12 S13 L20	P12-Q16 VanDerWaalsContact CA-OE1 3.29Å; P12-Q16 HydrophobicContact CB-CB 3.54Å; S13-Q16 CarbonylContact O-C 3.57Å; S13-Q16 WeakPolarHBondContact O-CA 3.49Å; S13-Q16 WeakPolarHBondContact O-CB 3Å; S13-Q16 PolarHBondContact O-N 2.92Å; S13-Q16 WeakPolarHBondContact OG-CB 3.36Å; S13-Q16 VanDerWaalsContact OG-CG 3.3Å; S13-Q16 WeakPolarHBondContact OG-CG 3.3Å; S13-Q16 PolarHBondContact OG-N 3.11Å; S13-Q16 PolarHBondContact OG-OE1 3.41Å; S13-Q16 VanDerWaalsContact OG-OE1 3.11Å; Q16-L20 VanDerWaalsContact O-CB 3.3Å; Q16-L20 WeakPolarHBondContact O-CB 3.45Å; Q16-L20 PolarHBondContact O-N 2.98Å
17	F	52	Low	51.5	Low	65 Å²	65	90.4 Å²	90.4	29%	0.285	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-48.9	172.4	-174.9	-96.3	0	0	0	109.8	S13 S14 D15 D19 L20 I21 I64	S13-F17 PolarHBondContact O-N 3.1Å; S14-F17 PolarHBondContact O-N 2.99Å; D15-F17 VanDerWaalsContact C-N 3.3Å; D15-F17 PolarHBondContact O-N 3.27Å; F17-D19 VanDerWaalsContact C-N 3.34Å; F17-D19 PolarHBondContact O-N 3.47Å; F17-L20 WeakPolarHBondContact O-CB 3.08Å; F17-L20 PolarHBondContact O-N 3.01Å; F17-L20 VanDerWaalsContact O-N 3.11Å; F17-I21 HydrophobicContact CD1-CD1 3.99Å; F17-I21 HydrophobicContact CD1-CG1 4.2Å; F17-I21 HydrophobicContact CE1-CD1 3.82Å; F17-I21 HydrophobicContact CE1-CG1 4.22Å; F17-I21 WeakPolarHBondContact O-CG1 3.46Å; F17-I21 PolarHBondContact O-N 2.85Å; F17-I64 HydrophobicContact CE2-CD1 4.02Å; F17-I64 HydrophobicContact CZ-CD1 4.12Å
18	Y	57.2	Low	52.5	Low	156 Å²	156	92.3 Å²	92.3	61%	0.612	47%	0.474	S	S	*	.	H	α-helix	trans	-59.7	-40.3	178.1	-124.3	-87.8	0	0	0	113.3	S14 D15 L20 Q22	S14-Y18 WeakPolarHBondContact O-CB 3.32Å; S14-Y18 PolarHBondContact O-N 2.76Å; D15-Y18 CarbonylContact O-C 3.6Å; D15-Y18 WeakPolarHBondContact O-CB 3.18Å; D15-Y18 PolarHBondContact O-N 3.04Å; D15-Y18 VanDerWaalsContact O-N 3.12Å; Y18-L20 VanDerWaalsContact C-N 3.33Å; Y18-Q22 WeakPolarHBondContact O-CB 3.49Å; Y18-Q22 WeakPolarHBondContact O-CG 3.32Å; Y18-Q22 PolarHBondContact O-N 3.44Å
19	D	56.7	Low	52.8	Low	109 Å²	109	87.3 Å²	87.3	58%	0.583	45%	0.449	S	S	*	.	H	α-helix	trans	-66.8	-36.1	175.3	-78.5	-16.9	0	0	0	111.8	D15 F17 Q22 S23	D15-D19 PolarHBondContact O-N 3.22Å; F17-D19 VanDerWaalsContact C-N 3.34Å; F17-D19 PolarHBondContact O-N 3.47Å; D19-Q22 WeakPolarHBondContact O-CB 3.39Å; D19-Q22 PolarHBondContact O-N 2.72Å; D19-S23 PolarHBondContact O-N 3.32Å; D19-S23 PolarHBondContact O-OG 3.12Å
20	L	49.9	Very low	53.2	Low	44 Å²	44	84 Å²	84	23%	0.23	44%	0.436	C	S	.	.	H	α-helix	trans	-68.1	-42.6	176.9	-100.8	165.8	0	0	0	113.5	Q16 F17 Y18 Q22 S23 Y24 L68	Q16-L20 VanDerWaalsContact O-CB 3.3Å; Q16-L20 WeakPolarHBondContact O-CB 3.45Å; Q16-L20 PolarHBondContact O-N 2.98Å; F17-L20 WeakPolarHBondContact O-CB 3.08Å; F17-L20 PolarHBondContact O-N 3.01Å; F17-L20 VanDerWaalsContact O-N 3.11Å; Y18-L20 VanDerWaalsContact C-N 3.33Å; L20-Q22 VanDerWaalsContact C-N 3.28Å; L20-S23 PolarHBondContact O-OG 2.84Å; L20-S23 VanDerWaalsContact O-OG 3.1Å; L20-Y24 HydrophobicContact CD2-CE2 4.46Å; L20-L68 HydrophobicContact CB-CD1 4.27Å; L20-L68 HydrophobicContact CD1-CD1 3.67Å; L20-L68 HydrophobicContact CD2-CB 4.28Å; L20-L68 HydrophobicContact CD2-CD1 3.19Å; L20-L68 HydrophobicContact CD2-CD2 3.32Å; L20-L68 HydrophobicContact CD2-CG 3.71Å; L20-L68 HydrophobicContact CG-CD1 3.87Å
21	I	54.5	Low	54	Low	32 Å²	32	84 Å²	84	16%	0.164	44%	0.435	C	S	.	.	H	α-helix	trans	-73.8	-20.5	172.5	32.5	158.6	0	0	0	112.5	F17 L33	F17-I21 HydrophobicContact CD1-CD1 3.99Å; F17-I21 HydrophobicContact CD1-CG1 4.2Å; F17-I21 HydrophobicContact CE1-CD1 3.82Å; F17-I21 HydrophobicContact CE1-CG1 4.22Å; F17-I21 WeakPolarHBondContact O-CG1 3.46Å; F17-I21 PolarHBondContact O-N 2.85Å; I21-L33 HydrophobicContact CD1-CD1 4.47Å
22	Q	54.2	Low	55	Low	97 Å²	97	82.2 Å²	82.2	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-72.7	-40	172.7	-92.3	-125.4	34.1	0	0	113	Y18 D19 L20 Y24 K25	Y18-Q22 WeakPolarHBondContact O-CB 3.49Å; Y18-Q22 WeakPolarHBondContact O-CG 3.32Å; Y18-Q22 PolarHBondContact O-N 3.44Å; D19-Q22 WeakPolarHBondContact O-CB 3.39Å; D19-Q22 PolarHBondContact O-N 2.72Å; L20-Q22 VanDerWaalsContact C-N 3.28Å; Q22-Y24 VanDerWaalsContact C-N 3.34Å; Q22-Y24 PolarHBondContact O-N 2.81Å; Q22-K25 WeakPolarHBondContact O-CB 3.13Å; Q22-K25 VanDerWaalsContact O-CD 3.3Å; Q22-K25 WeakPolarHBondContact O-CD 3.22Å; Q22-K25 WeakPolarHBondContact O-CG 3.4Å
23	S	52.5	Low	56	Low	83 Å²	83	83.1 Å²	83.1	58%	0.58	42%	0.418	S	S	*	.	H	α-helix	trans	-72.1	-26	-175.5	50.2	0	0	0	0	113.2	D19 L20	D19-S23 PolarHBondContact O-N 3.32Å; D19-S23 PolarHBondContact O-OG 3.12Å; L20-S23 PolarHBondContact O-OG 2.84Å; L20-S23 VanDerWaalsContact O-OG 3.1Å
24	Y	53.4	Low	56.8	Low	120 Å²	120	85.6 Å²	85.6	47%	0.471	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	34.8	178.8	-71.3	-88.3	0	0	0	114	L20 Q22 L26 G29 L68	L20-Y24 HydrophobicContact CD2-CE2 4.46Å; Q22-Y24 VanDerWaalsContact C-N 3.34Å; Q22-Y24 PolarHBondContact O-N 2.81Å; Y24-L26 PolarHBondContact O-N 2.61Å; Y24-G29 PolarHBondContact O-N 3.47Å; Y24-L68 HydrophobicContact CD2-CD2 3.55Å; Y24-L68 HydrophobicContact CE2-CD2 3.15Å; Y24-L68 HydrophobicContact CG-CD2 4.43Å
25	K	51.4	Low	57.9	Low	111 Å²	111	83.5 Å²	83.5	48%	0.483	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-3.8	-174.9	-105	169.7	-179.3	167.9	0	117.7	Q22	Q22-K25 WeakPolarHBondContact O-CB 3.13Å; Q22-K25 VanDerWaalsContact O-CD 3.3Å; Q22-K25 WeakPolarHBondContact O-CD 3.22Å; Q22-K25 WeakPolarHBondContact O-CG 3.4Å
26	L	53	Low	58.6	Low	63 Å²	63	81.9 Å²	81.9	33%	0.33	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-27.6	-163.9	-76.9	143.3	0	0	0	118.5	Y24 N181 L183	Y24-L26 PolarHBondContact O-N 2.61Å; L26-N181 HydrophobicContact CD1-CB 3.36Å; L26-N181 WeakPolarHBondContact CD1-ND2 3.39Å; L26-N181 WeakPolarHBondContact CD1-O 3.11Å; L26-N181 VanDerWaalsContact CD1-OD1 3.28Å; L26-N181 WeakPolarHBondContact CD1-OD1 3.46Å; L26-N181 HydrophobicContact CD2-CB 4.32Å; L26-N181 VanDerWaalsContact CD2-O 3.32Å; L26-N181 WeakPolarHBondContact CD2-O 3.43Å; L26-N181 HydrophobicContact CG-CB 4.35Å; L26-N181 WeakPolarHBondContact CG-O 3.2Å; L26-L183 HydrophobicContact CD2-CD1 3.9Å; L26-L183 HydrophobicContact CD2-CG 4.19Å
27	E	56.3	Low	59.4	Low	135 Å²	135	82.9 Å²	82.9	63%	0.631	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.2	-50.7	176.3	-93.6	-179	157.2	0	0	111.9	I31	E27-I31 WeakPolarHBondContact O-CD1 3.26Å; E27-I31 WeakPolarHBondContact O-CG1 3.37Å
28	Y	56.8	Low	60.6	Low	96 Å²	96	83.7 Å²	83.7	38%	0.376	40%	0.396	S	S	.	.	H	α-helix	trans	-85.2	-35.6	-171.3	-60.3	-70.4	0	0	0	113.8	L30 I31 L32 K67	Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 3.36Å; Y28-I31 PolarHBondContact O-N 3.38Å; Y28-L32 WeakPolarHBondContact O-CB 3.27Å; Y28-L32 PolarHBondContact O-N 3.09Å; Y28-K67 VanDerWaalsContact CE1-NZ 3.28Å
29	G	56.8	Low	61.6	Low	10 Å²	10	77.4 Å²	77.4	10%	0.103	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-38.2	-176.4	0	0	0	0	0	113.1	Y24 L33	Y24-G29 PolarHBondContact O-N 3.47Å; G29-L33 VanDerWaalsContact O-CB 3.23Å; G29-L33 WeakPolarHBondContact O-CB 3.4Å; G29-L33 PolarHBondContact O-N 3.33Å
30	L	58.1	Low	62.5	Low	74 Å²	74	74.4 Å²	74.4	39%	0.387	36%	0.356	S	S	.	.	H	α-helix	trans	-69.1	-41.7	177.4	-76.5	170.8	0	0	0	112.4	Y28 R34 L183	Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 3.36Å; L30-R34 VanDerWaalsContact O-CB 3.25Å; L30-R34 WeakPolarHBondContact O-CB 3.48Å; L30-R34 PolarHBondContact O-N 2.81Å; L30-L183 HydrophobicContact CD1-CD1 4.3Å
31	I	64.7	Low	63.7	Low	78 Å²	78	76.8 Å²	76.8	40%	0.4	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-48.8	178	-64.2	171.3	0	0	0	109.7	E27 Y28 L33 R34 D35	E27-I31 WeakPolarHBondContact O-CD1 3.26Å; E27-I31 WeakPolarHBondContact O-CG1 3.37Å; Y28-I31 PolarHBondContact O-N 3.38Å; I31-L33 PolarHBondContact O-N 3.07Å; I31-R34 WeakPolarHBondContact O-CB 3.48Å; I31-R34 PolarHBondContact O-N 2.77Å; I31-D35 WeakPolarHBondContact CG2-OD2 3.1Å; I31-D35 WeakPolarHBondContact O-CB 3.37Å; I31-D35 PolarHBondContact O-N 3.27Å
32	L	65.4	Low	64.9	Low	24 Å²	24	78 Å²	78	13%	0.126	38%	0.376	C	S	.	.	H	α-helix	trans	-61.6	-44.4	177.7	-77.7	157.9	0	0	0	111.9	Y28 R34 D35 Y36 M60 Y63 I64	Y28-L32 WeakPolarHBondContact O-CB 3.27Å; Y28-L32 PolarHBondContact O-N 3.09Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 2.86Å; L32-D35 PolarHBondContact O-N 3.4Å; L32-Y36 WeakPolarHBondContact O-CB 3.28Å; L32-Y36 PolarHBondContact O-N 2.8Å; L32-M60 HydrophobicContact CB-CE 4.45Å; L32-M60 HydrophobicContact CD2-CE 3.86Å; L32-M60 WeakPolarHBondContact O-CE 3.36Å; L32-Y63 HydrophobicContact CD2-CD1 3.91Å; L32-Y63 HydrophobicContact CD2-CE1 4.11Å; L32-I64 HydrophobicContact CB-CD1 4.39Å; L32-I64 HydrophobicContact CD1-CD1 4.04Å; L32-I64 HydrophobicContact CD1-CG1 3.52Å; L32-I64 HydrophobicContact CD2-CD1 3.88Å; L32-I64 HydrophobicContact CD2-CG1 3.65Å; L32-I64 HydrophobicContact CG-CD1 4.31Å; L32-I64 HydrophobicContact CG-CG1 4.12Å
33	L	64.7	Low	65.9	Low	66 Å²	66	77.7 Å²	77.7	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-38.2	177.6	-165.6	78.3	0	0	0	111.7	I21 G29 I31 K37	I21-L33 HydrophobicContact CD1-CD1 4.47Å; G29-L33 VanDerWaalsContact O-CB 3.23Å; G29-L33 WeakPolarHBondContact O-CB 3.4Å; G29-L33 PolarHBondContact O-N 3.33Å; I31-L33 PolarHBondContact O-N 3.07Å; L33-K37 WeakPolarHBondContact O-CB 3.18Å; L33-K37 VanDerWaalsContact O-CG 3.27Å; L33-K37 WeakPolarHBondContact O-CG 3.41Å; L33-K37 PolarHBondContact O-N 2.82Å
34	R	68.8	Low	67.2	Low	108 Å²	108	80.9 Å²	80.9	41%	0.408	37%	0.374	S	S	.	.	H	α-helix	trans	-61.6	-50.8	174.2	179.2	-162.2	71	179.3	-0.1	110.5	L30 I31 L32 Y36 K37 N38	L30-R34 VanDerWaalsContact O-CB 3.25Å; L30-R34 WeakPolarHBondContact O-CB 3.48Å; L30-R34 PolarHBondContact O-N 2.81Å; I31-R34 WeakPolarHBondContact O-CB 3.48Å; I31-R34 PolarHBondContact O-N 2.77Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 2.86Å; R34-Y36 VanDerWaalsContact C-N 3.33Å; R34-Y36 PolarHBondContact O-N 3.09Å; R34-K37 PolarHBondContact O-N 2.88Å; R34-N38 PolarHBondContact O-N 3.44Å
35	D	74.7	Confident	68.8	Low	54 Å²	54	78.3 Å²	78.3	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-65.9	-39	-176.1	-64.8	-8.9	0	0	0	110.7	I31 L32 N38 L39 M60	I31-D35 WeakPolarHBondContact CG2-OD2 3.1Å; I31-D35 WeakPolarHBondContact O-CB 3.37Å; I31-D35 PolarHBondContact O-N 3.27Å; L32-D35 PolarHBondContact O-N 3.4Å; D35-N38 WeakPolarHBondContact O-CB 3.28Å; D35-N38 PolarHBondContact O-N 2.97Å; D35-L39 WeakPolarHBondContact O-CG 3.46Å; D35-L39 PolarHBondContact O-N 3.5Å; D35-M60 HydrophobicContact CB-CE 4.15Å; D35-M60 HydrophobicContact CB-SD 4.29Å
36	Y	74.4	Confident	70.1	Confident	88 Å²	88	81.5 Å²	81.5	35%	0.345	39%	0.39	S	S	.	.	H	α-helix	trans	-63.3	-44.6	173.3	-179.9	-108.8	0	0	0	111.9	L32 R34 N38 L39 L40 Y53 T57	L32-Y36 WeakPolarHBondContact O-CB 3.28Å; L32-Y36 PolarHBondContact O-N 2.8Å; R34-Y36 VanDerWaalsContact C-N 3.33Å; R34-Y36 PolarHBondContact O-N 3.09Å; Y36-N38 VanDerWaalsContact C-N 3.29Å; Y36-N38 PolarHBondContact O-N 3.34Å; Y36-L39 PolarHBondContact O-N 3.29Å; Y36-L40 WeakPolarHBondContact O-CB 3.23Å; Y36-L40 PolarHBondContact O-N 2.93Å; Y36-Y53 WeakPolarHBondContact CE2-OH 3.46Å; Y36-Y53 PolarHBondContact OH-OH 3.21Å; Y36-T57 HydrophobicContact CD2-CG2 4.11Å; Y36-T57 HydrophobicContact CE2-CG2 3.61Å
37	K	72	Confident	71.6	Confident	127 Å²	127	86.4 Å²	86.4	55%	0.552	41%	0.409	S	S	*	.	H	α-helix	trans	-62.2	-37.7	175.3	-78.1	177.6	177.4	-177.3	0	111.7	L33 R34 L40 N41	L33-K37 WeakPolarHBondContact O-CB 3.18Å; L33-K37 VanDerWaalsContact O-CG 3.27Å; L33-K37 WeakPolarHBondContact O-CG 3.41Å; L33-K37 PolarHBondContact O-N 2.82Å; R34-K37 PolarHBondContact O-N 2.88Å; K37-L40 PolarHBondContact O-N 2.88Å; K37-N41 WeakPolarHBondContact O-CB 3.49Å; K37-N41 PolarHBondContact O-N 3.13Å
38	N	76.9	Confident	72.9	Confident	83 Å²	83	81.2 Å²	81.2	44%	0.444	39%	0.385	S	S	.	.	H	α-helix	trans	-65	-46.8	175.2	-74.1	-16.1	0	0	0	111.4	R34 D35 Y36 L40 N41 L42	R34-N38 PolarHBondContact O-N 3.44Å; D35-N38 WeakPolarHBondContact O-CB 3.28Å; D35-N38 PolarHBondContact O-N 2.97Å; Y36-N38 VanDerWaalsContact C-N 3.29Å; Y36-N38 PolarHBondContact O-N 3.34Å; N38-L40 VanDerWaalsContact C-N 3.34Å; N38-L40 PolarHBondContact O-N 3.22Å; N38-N41 PolarHBondContact O-N 2.96Å; N38-L42 WeakPolarHBondContact O-CG 3.32Å; N38-L42 PolarHBondContact O-N 2.68Å
39	L	78.8	Confident	74.2	Confident	23 Å²	23	79.6 Å²	79.6	12%	0.12	39%	0.388	C	S	.	.	H	α-helix	trans	-59.2	-45.2	174.3	-71.5	179	0	0	0	111.7	D35 Y36 N41 L42 Y43 M48 Y53 L56 M60	D35-L39 WeakPolarHBondContact O-CG 3.46Å; D35-L39 PolarHBondContact O-N 3.5Å; Y36-L39 PolarHBondContact O-N 3.29Å; L39-N41 VanDerWaalsContact C-N 3.3Å; L39-N41 PolarHBondContact O-N 2.82Å; L39-L42 PolarHBondContact O-N 3.19Å; L39-Y43 PolarHBondContact O-N 3.32Å; L39-M48 HydrophobicContact CD2-CE 3.43Å; L39-M48 VanDerWaalsContact CD2-CE 3.43Å; L39-M48 HydrophobicContact CD2-SD 4.17Å; L39-Y53 HydrophobicContact CB-CD2 4.05Å; L39-Y53 HydrophobicContact CB-CE2 3.96Å; L39-L56 HydrophobicContact CD1-CB 3.74Å; L39-L56 HydrophobicContact CD2-CB 3.99Å; L39-L56 HydrophobicContact CD2-CD1 3.64Å; L39-L56 HydrophobicContact CD2-CG 4.43Å; L39-M60 HydrophobicContact CD1-CG 4.34Å; L39-M60 HydrophobicContact CD1-SD 3.42Å; L39-M60 WeakPolarHBondContact CD1-SD 3.34Å; L39-M60 HydrophobicContact CG-SD 4.46Å
40	L	75.9	Confident	75.3	Confident	47 Å²	47	85 Å²	85	25%	0.246	41%	0.406	C	S	.	.	H	α-helix	trans	-61.7	-39.6	177.5	-178.3	64.2	0	0	0	111.3	Y36 K37 N38 Y43 K44 Y53	Y36-L40 WeakPolarHBondContact O-CB 3.23Å; Y36-L40 PolarHBondContact O-N 2.93Å; K37-L40 PolarHBondContact O-N 2.88Å; N38-L40 VanDerWaalsContact C-N 3.34Å; N38-L40 PolarHBondContact O-N 3.22Å; L40-Y43 PolarHBondContact O-N 3.22Å; L40-K44 HydrophobicContact CD1-CD 4.43Å; L40-K44 HydrophobicContact CD1-CG 4.36Å; L40-K44 HydrophobicContact CG-CD 4.16Å; L40-K44 HydrophobicContact CG-CG 4.45Å; L40-K44 WeakPolarHBondContact O-CB 3.43Å; L40-K44 VanDerWaalsContact O-CG 3.28Å; L40-K44 WeakPolarHBondContact O-CG 3.44Å; L40-K44 PolarHBondContact O-N 2.84Å; L40-Y53 HydrophobicContact CB-CE2 4.32Å; L40-Y53 HydrophobicContact CD1-CE2 4.49Å
41	N	74.9	Confident	76.5	Confident	94 Å²	94	87.3 Å²	87.3	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-66.7	-42	176.1	-169.4	43.7	0	0	0	111.8	K37 N38 L39 Y43 K44 T45	K37-N41 WeakPolarHBondContact O-CB 3.49Å; K37-N41 PolarHBondContact O-N 3.13Å; N38-N41 PolarHBondContact O-N 2.96Å; L39-N41 VanDerWaalsContact C-N 3.3Å; L39-N41 PolarHBondContact O-N 2.82Å; N41-Y43 VanDerWaalsContact C-N 3.33Å; N41-Y43 PolarHBondContact O-N 3.15Å; N41-K44 PolarHBondContact O-N 3.25Å; N41-T45 WeakPolarHBondContact O-CB 3.39Å; N41-T45 WeakPolarHBondContact O-CG2 3.35Å; N41-T45 PolarHBondContact O-N 3.39Å; N41-T45 PolarHBondContact O-OG1 2.86Å
42	L	79	Confident	77	Confident	58 Å²	58	88.1 Å²	88.1	30%	0.304	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-41.1	175.2	-70.7	171.2	0	0	0	111.8	N38 L39 T45 M46 K47 M48	N38-L42 WeakPolarHBondContact O-CG 3.32Å; N38-L42 PolarHBondContact O-N 2.68Å; L39-L42 PolarHBondContact O-N 3.19Å; L42-T45 PolarHBondContact O-OG1 3.3Å; L42-M46 PolarHBondContact O-N 3.47Å; L42-K47 HydrophobicContact CD2-CB 3.97Å; L42-K47 HydrophobicContact CD2-CD 4.09Å; L42-K47 WeakPolarHBondContact O-CA 3.33Å; L42-K47 PolarHBondContact O-N 3.37Å; L42-M48 HydrophobicContact CB-CB 4.15Å; L42-M48 HydrophobicContact CB-CE 3.6Å; L42-M48 HydrophobicContact CD1-CE 3.52Å; L42-M48 HydrophobicContact CG-CE 4.21Å; L42-M48 PolarHBondContact O-N 3.13Å
43	Y	75.4	Confident	77.6	Confident	90 Å²	90	88.1 Å²	88.1	35%	0.353	42%	0.418	S	S	.	.	H	α-helix	trans	-65.9	-49.4	173.8	175.8	-115.6	0	0	0	112.1	L39 L40 N41 T45 M46 Y50 Y53	L39-Y43 PolarHBondContact O-N 3.32Å; L40-Y43 PolarHBondContact O-N 3.22Å; N41-Y43 VanDerWaalsContact C-N 3.33Å; N41-Y43 PolarHBondContact O-N 3.15Å; Y43-T45 PolarHBondContact O-N 3.08Å; Y43-M46 PolarHBondContact O-N 3.07Å; Y43-Y50 HydrophobicContact CE2-CD2 4.14Å; Y43-Y53 HydrophobicContact CD1-CD1 4.07Å; Y43-Y53 HydrophobicContact CD1-CE1 4.27Å; Y43-Y53 HydrophobicContact CD1-CG 4.32Å; Y43-Y53 HydrophobicContact CD2-CD1 4.37Å; Y43-Y53 HydrophobicContact CD2-CG 4.2Å; Y43-Y53 AromaticContact CG-CD1 3.98Å; Y43-Y53 HydrophobicContact CG-CD1 3.98Å; Y43-Y53 HydrophobicContact CG-CD2 4.26Å; Y43-Y53 AromaticContact CG-CG 3.81Å; Y43-Y53 HydrophobicContact CG-CG 3.81Å
44	K	80.2	Confident	78.1	Confident	149 Å²	149	89.1 Å²	89.1	65%	0.648	42%	0.42	S	S	*	.	H	α-helix	trans	-60.3	-32.4	178.9	-77.9	-178.4	175.8	-174.3	0	113.3	L40 N41 M46	L40-K44 HydrophobicContact CD1-CD 4.43Å; L40-K44 HydrophobicContact CD1-CG 4.36Å; L40-K44 HydrophobicContact CG-CD 4.16Å; L40-K44 HydrophobicContact CG-CG 4.45Å; L40-K44 WeakPolarHBondContact O-CB 3.43Å; L40-K44 VanDerWaalsContact O-CG 3.28Å; L40-K44 WeakPolarHBondContact O-CG 3.44Å; L40-K44 PolarHBondContact O-N 2.84Å; N41-K44 PolarHBondContact O-N 3.25Å; K44-M46 VanDerWaalsContact C-N 3.26Å; K44-M46 PolarHBondContact O-N 2.9Å
45	T	86.7	Confident	78.5	Confident	67 Å²	67	90 Å²	90	41%	0.411	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	11.1	177.3	56.5	0	0	0	0	113.3	N41 L42 Y43 K47	N41-T45 WeakPolarHBondContact O-CB 3.39Å; N41-T45 WeakPolarHBondContact O-CG2 3.35Å; N41-T45 PolarHBondContact O-N 3.39Å; N41-T45 PolarHBondContact O-OG1 2.86Å; L42-T45 PolarHBondContact O-OG1 3.3Å; Y43-T45 PolarHBondContact O-N 3.08Å; T45-K47 PolarHBondContact O-N 3.28Å; T45-K47 VanDerWaalsContact O-N 3.08Å
46	M	78.9	Confident	78.6	Confident	177 Å²	177	90.2 Å²	90.2	87%	0.872	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	22	-176.5	-56.5	-164.8	-164	0	0	114.6	L42 Y43 K44	L42-M46 PolarHBondContact O-N 3.47Å; Y43-M46 PolarHBondContact O-N 3.07Å; K44-M46 VanDerWaalsContact C-N 3.26Å; K44-M46 PolarHBondContact O-N 2.9Å
47	K	85.1	Confident	78.6	Confident	166 Å²	166	86.7 Å²	86.7	72%	0.722	42%	0.417	S	S	*	.	S	Bend	trans	-82.7	-2.7	173.2	-66.2	-177.1	178.6	-178.4	0	112.6	L42 T45	L42-K47 HydrophobicContact CD2-CB 3.97Å; L42-K47 HydrophobicContact CD2-CD 4.09Å; L42-K47 WeakPolarHBondContact O-CA 3.33Å; L42-K47 PolarHBondContact O-N 3.37Å; T45-K47 PolarHBondContact O-N 3.28Å; T45-K47 VanDerWaalsContact O-N 3.08Å
48	M	83.1	Confident	78.7	Confident	26 Å²	26	84.4 Å²	84.4	13%	0.128	41%	0.41	C	S	.	.	S	Bend	trans	-143.3	134.3	-179.9	-166.9	-178.4	-62.6	0	0	109.6	L39 L42 N52 Y53 L56	L39-M48 HydrophobicContact CD2-CE 3.43Å; L39-M48 VanDerWaalsContact CD2-CE 3.43Å; L39-M48 HydrophobicContact CD2-SD 4.17Å; L42-M48 HydrophobicContact CB-CB 4.15Å; L42-M48 HydrophobicContact CB-CE 3.6Å; L42-M48 HydrophobicContact CD1-CE 3.52Å; L42-M48 HydrophobicContact CG-CE 4.21Å; L42-M48 PolarHBondContact O-N 3.13Å; M48-N52 HydrophobicContact CG-CB 3.64Å; M48-N52 HydrophobicContact SD-CB 4.32Å; M48-Y53 WeakPolarHBondContact SD-CA 3.44Å; M48-Y53 HydrophobicContact SD-CD2 4.29Å; M48-Y53 PolarHBondContact SD-N 3.15Å; M48-L56 HydrophobicContact CE-CD1 4Å; M48-L56 HydrophobicContact SD-CD1 4.02Å
49	S	83.5	Confident	78.6	Confident	62 Å²	62	85.9 Å²	85.9	43%	0.434	41%	0.411	S	S	.	.			trans	-65.5	154.7	172.2	65.9	0	0	0	0	110.5	E51 N52 Y53	S49-E51 PolarHBondContact O-N 3.3Å; S49-N52 PolarHBondContact O-N 3.37Å; S49-N52 WeakPolarHBondContact OG-CB 3.32Å; S49-N52 PolarHBondContact OG-N 3.37Å; S49-N52 VanDerWaalsContact OG-N 3.16Å; S49-Y53 PolarHBondContact O-N 3.12Å
50	Y	81.2	Confident	78.3	Confident	124 Å²	124	85.9 Å²	85.9	49%	0.486	41%	0.41	S	S	.	.	H	α-helix	trans	-55.3	-41.4	173.5	172.9	-103.3	0	0	0	111.8	Y43 Y53 K54	Y43-Y50 HydrophobicContact CE2-CD2 4.14Å; Y50-Y53 PolarHBondContact O-N 3.47Å; Y50-K54 HydrophobicContact CE1-CD 4.01Å; Y50-K54 VanDerWaalsContact O-CB 3.26Å; Y50-K54 WeakPolarHBondContact O-CB 3.49Å; Y50-K54 PolarHBondContact O-N 2.94Å
51	E	81.3	Confident	77.9	Confident	122 Å²	122	87.2 Å²	87.2	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-64	-42.4	178.6	-71.4	-61.1	167.4	0	0	112.6	S49 K54 H55	S49-E51 PolarHBondContact O-N 3.3Å; E51-K54 PolarHBondContact O-N 3.12Å; E51-H55 VanDerWaalsContact O-CB 3.31Å; E51-H55 WeakPolarHBondContact O-CB 3.41Å; E51-H55 PolarHBondContact O-N 3.04Å
52	N	76	Confident	77.5	Confident	95 Å²	95	87.4 Å²	87.4	51%	0.508	42%	0.415	S	S	.	.	H	α-helix	trans	-66.9	-40.8	175.7	-78.2	-3.1	0	0	0	111.6	M48 S49 H55 L56	M48-N52 HydrophobicContact CG-CB 3.64Å; M48-N52 HydrophobicContact SD-CB 4.32Å; S49-N52 PolarHBondContact O-N 3.37Å; S49-N52 WeakPolarHBondContact OG-CB 3.32Å; S49-N52 PolarHBondContact OG-N 3.37Å; S49-N52 VanDerWaalsContact OG-N 3.16Å; N52-H55 PolarHBondContact O-N 3.46Å; N52-L56 WeakPolarHBondContact O-CB 3.42Å; N52-L56 WeakPolarHBondContact O-CG 3.44Å; N52-L56 PolarHBondContact O-N 2.9Å
53	Y	77.7	Confident	76.8	Confident	25 Å²	25	85.9 Å²	85.9	10%	0.098	41%	0.405	C	S	.	.	H	α-helix	trans	-61.6	-46.9	176.4	173.9	-107.8	0	0	0	111.5	Y36 L39 L40 Y43 M48 S49 Y50 L56 T57	Y36-Y53 WeakPolarHBondContact CE2-OH 3.46Å; Y36-Y53 PolarHBondContact OH-OH 3.21Å; L39-Y53 HydrophobicContact CB-CD2 4.05Å; L39-Y53 HydrophobicContact CB-CE2 3.96Å; L40-Y53 HydrophobicContact CB-CE2 4.32Å; L40-Y53 HydrophobicContact CD1-CE2 4.49Å; Y43-Y53 HydrophobicContact CD1-CD1 4.07Å; Y43-Y53 HydrophobicContact CD1-CE1 4.27Å; Y43-Y53 HydrophobicContact CD1-CG 4.32Å; Y43-Y53 HydrophobicContact CD2-CD1 4.37Å; Y43-Y53 HydrophobicContact CD2-CG 4.2Å; Y43-Y53 AromaticContact CG-CD1 3.98Å; Y43-Y53 HydrophobicContact CG-CD1 3.98Å; Y43-Y53 HydrophobicContact CG-CD2 4.26Å; Y43-Y53 AromaticContact CG-CG 3.81Å; Y43-Y53 HydrophobicContact CG-CG 3.81Å; M48-Y53 WeakPolarHBondContact SD-CA 3.44Å; M48-Y53 HydrophobicContact SD-CD2 4.29Å; M48-Y53 PolarHBondContact SD-N 3.15Å; S49-Y53 PolarHBondContact O-N 3.12Å; Y50-Y53 PolarHBondContact O-N 3.47Å; Y53-L56 PolarHBondContact O-N 3Å; Y53-T57 WeakPolarHBondContact CE2-OG1 3.33Å; Y53-T57 WeakPolarHBondContact O-CB 3.48Å; Y53-T57 PolarHBondContact O-N 3.26Å; Y53-T57 PolarHBondContact O-OG1 2.85Å
54	K	75.7	Confident	76.3	Confident	87 Å²	87	82.3 Å²	82.3	38%	0.378	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-45.5	176.8	-176.3	179.6	179.2	-178.8	0	111.4	Y50 E51 T57 N58	Y50-K54 HydrophobicContact CE1-CD 4.01Å; Y50-K54 VanDerWaalsContact O-CB 3.26Å; Y50-K54 WeakPolarHBondContact O-CB 3.49Å; Y50-K54 PolarHBondContact O-N 2.94Å; E51-K54 PolarHBondContact O-N 3.12Å; K54-T57 PolarHBondContact O-N 2.83Å; K54-N58 VanDerWaalsContact O-CB 3.27Å; K54-N58 WeakPolarHBondContact O-CB 3.32Å; K54-N58 PolarHBondContact O-N 3.44Å; K54-N58 PolarHBondContact O-ND2 3.48Å
55	H	76.6	Confident	75.4	Confident	127 Å²	127	78.3 Å²	78.3	59%	0.588	37%	0.373	S	S	*	.	H	α-helix	trans	-60.5	-50.5	177.9	-179.4	73	0	0	0	112	E51 N52 N58 Y59	E51-H55 VanDerWaalsContact O-CB 3.31Å; E51-H55 WeakPolarHBondContact O-CB 3.41Å; E51-H55 PolarHBondContact O-N 3.04Å; N52-H55 PolarHBondContact O-N 3.46Å; H55-N58 PolarHBondContact O-N 2.81Å; H55-Y59 WeakPolarHBondContact O-CB 3.12Å; H55-Y59 PolarHBondContact O-N 3.22Å
56	L	78.2	Confident	74.1	Confident	57 Å²	57	79.2 Å²	79.2	30%	0.298	37%	0.373	S	S	.	.	H	α-helix	trans	-67.9	-37.3	-179.2	-68.6	170.5	0	0	0	112.3	L39 M48 N52 Y53 Y59 M60	L39-L56 HydrophobicContact CD1-CB 3.74Å; L39-L56 HydrophobicContact CD2-CB 3.99Å; L39-L56 HydrophobicContact CD2-CD1 3.64Å; L39-L56 HydrophobicContact CD2-CG 4.43Å; M48-L56 HydrophobicContact CE-CD1 4Å; M48-L56 HydrophobicContact SD-CD1 4.02Å; N52-L56 WeakPolarHBondContact O-CB 3.42Å; N52-L56 WeakPolarHBondContact O-CG 3.44Å; N52-L56 PolarHBondContact O-N 2.9Å; Y53-L56 PolarHBondContact O-N 3Å; L56-Y59 PolarHBondContact O-N 3.2Å; L56-M60 WeakPolarHBondContact O-CG 3.28Å; L56-M60 PolarHBondContact O-N 2.9Å
57	T	74.4	Confident	73.1	Confident	14 Å²	14	73.5 Å²	73.5	9%	0.086	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-43	175	-56.6	0	0	0	0	111.1	Y36 Y53 K54 Y59 M60 I61	Y36-T57 HydrophobicContact CD2-CG2 4.11Å; Y36-T57 HydrophobicContact CE2-CG2 3.61Å; Y53-T57 WeakPolarHBondContact CE2-OG1 3.33Å; Y53-T57 WeakPolarHBondContact O-CB 3.48Å; Y53-T57 PolarHBondContact O-N 3.26Å; Y53-T57 PolarHBondContact O-OG1 2.85Å; K54-T57 PolarHBondContact O-N 2.83Å; T57-Y59 VanDerWaalsContact C-N 3.34Å; T57-Y59 PolarHBondContact O-N 2.96Å; T57-M60 WeakPolarHBondContact O-CB 3.43Å; T57-M60 PolarHBondContact O-N 2.93Å; T57-I61 HydrophobicContact CG2-CD1 4.11Å; T57-I61 WeakPolarHBondContact O-CG1 3.37Å; T57-I61 PolarHBondContact O-N 3.15Å
58	N	72.3	Confident	71.7	Confident	79 Å²	79	67.5 Å²	67.5	42%	0.422	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-40.9	174.4	-77	-13.7	0	0	0	111.7	K54 H55 M60 I61 Q62	K54-N58 VanDerWaalsContact O-CB 3.27Å; K54-N58 WeakPolarHBondContact O-CB 3.32Å; K54-N58 PolarHBondContact O-N 3.44Å; K54-N58 PolarHBondContact O-ND2 3.48Å; H55-N58 PolarHBondContact O-N 2.81Å; N58-M60 VanDerWaalsContact C-N 3.34Å; N58-I61 PolarHBondContact O-N 3.43Å; N58-Q62 WeakPolarHBondContact O-CB 3.28Å; N58-Q62 WeakPolarHBondContact O-CG 3.2Å; N58-Q62 PolarHBondContact O-N 3.24Å
59	Y	75.7	Confident	70.4	Confident	115 Å²	115	71.5 Å²	71.5	45%	0.451	34%	0.337	S	S	.	.	H	α-helix	trans	-60.4	-44.4	173.4	-178.8	-93.7	0	0	0	111.2	H55 L56 T57 I61 Q62 Y63	H55-Y59 WeakPolarHBondContact O-CB 3.12Å; H55-Y59 PolarHBondContact O-N 3.22Å; L56-Y59 PolarHBondContact O-N 3.2Å; T57-Y59 VanDerWaalsContact C-N 3.34Å; T57-Y59 PolarHBondContact O-N 2.96Å; Y59-I61 PolarHBondContact O-N 2.89Å; Y59-Q62 PolarHBondContact O-N 3Å; Y59-Y63 WeakPolarHBondContact O-CB 3.4Å; Y59-Y63 PolarHBondContact O-N 3.27Å
60	M	73.5	Confident	69.3	Low	22 Å²	22	70.8 Å²	70.8	11%	0.108	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-42.6	174.6	-77.4	-173.8	59.7	0	0	112.8	L32 D35 L39 L56 T57 N58 Y63 I64	L32-M60 HydrophobicContact CB-CE 4.45Å; L32-M60 HydrophobicContact CD2-CE 3.86Å; L32-M60 WeakPolarHBondContact O-CE 3.36Å; D35-M60 HydrophobicContact CB-CE 4.15Å; D35-M60 HydrophobicContact CB-SD 4.29Å; L39-M60 HydrophobicContact CD1-CG 4.34Å; L39-M60 HydrophobicContact CD1-SD 3.42Å; L39-M60 WeakPolarHBondContact CD1-SD 3.34Å; L39-M60 HydrophobicContact CG-SD 4.46Å; L56-M60 WeakPolarHBondContact O-CG 3.28Å; L56-M60 PolarHBondContact O-N 2.9Å; T57-M60 WeakPolarHBondContact O-CB 3.43Å; T57-M60 PolarHBondContact O-N 2.93Å; N58-M60 VanDerWaalsContact C-N 3.34Å; M60-Y63 PolarHBondContact O-N 3.48Å; M60-I64 WeakPolarHBondContact O-CB 3.2Å; M60-I64 WeakPolarHBondContact O-CG1 3.4Å; M60-I64 PolarHBondContact O-N 2.78Å
61	I	66.6	Low	67.8	Low	75 Å²	75	67.7 Å²	67.7	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-65.7	-43.5	177.5	-68.2	168.5	0	0	0	110.5	T57 N58 Y59 I64 W65	T57-I61 HydrophobicContact CG2-CD1 4.11Å; T57-I61 WeakPolarHBondContact O-CG1 3.37Å; T57-I61 PolarHBondContact O-N 3.15Å; N58-I61 PolarHBondContact O-N 3.43Å; Y59-I61 PolarHBondContact O-N 2.89Å; I61-I64 PolarHBondContact O-N 3.34Å; I61-W65 VanDerWaalsContact O-CB 3.26Å; I61-W65 WeakPolarHBondContact O-CB 3.33Å; I61-W65 PolarHBondContact O-N 2.85Å
62	Q	66.5	Low	66.2	Low	98 Å²	98	68.8 Å²	68.8	46%	0.458	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-43.5	175	-77.1	-176.8	-8.9	0	0	111.6	N58 Y59 I64 W65 E66	N58-Q62 WeakPolarHBondContact O-CB 3.28Å; N58-Q62 WeakPolarHBondContact O-CG 3.2Å; N58-Q62 PolarHBondContact O-N 3.24Å; Y59-Q62 PolarHBondContact O-N 3Å; Q62-I64 VanDerWaalsContact C-N 3.35Å; Q62-I64 PolarHBondContact O-N 3.45Å; Q62-W65 PolarHBondContact O-N 2.83Å; Q62-E66 WeakPolarHBondContact O-CB 3.34Å; Q62-E66 PolarHBondContact O-N 3.35Å
63	Y	64.9	Low	64.8	Low	26 Å²	26	66.2 Å²	66.2	10%	0.102	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-46.4	175.3	173.3	-85.2	0	0	0	111	L32 Y59 M60 K67 W73 I78	L32-Y63 HydrophobicContact CD2-CD1 3.91Å; L32-Y63 HydrophobicContact CD2-CE1 4.11Å; Y59-Y63 WeakPolarHBondContact O-CB 3.4Å; Y59-Y63 PolarHBondContact O-N 3.27Å; M60-Y63 PolarHBondContact O-N 3.48Å; Y63-K67 HydrophobicContact CD1-CG 4.48Å; Y63-K67 HydrophobicContact CE1-CG 3.94Å; Y63-K67 VanDerWaalsContact O-CB 3.24Å; Y63-K67 WeakPolarHBondContact O-CB 3.36Å; Y63-K67 PolarHBondContact O-N 3.42Å; Y63-K67 WeakPolarHBondContact OH-CE 3.26Å; Y63-W73 AromaticContact CD2-CH2 3.36Å; Y63-W73 HydrophobicContact CD2-CH2 3.36Å; Y63-W73 HydrophobicContact CD2-CZ2 4.38Å; Y63-W73 AromaticContact CD2-CZ3 3.52Å; Y63-W73 HydrophobicContact CD2-CZ3 3.52Å; Y63-W73 HydrophobicContact CE2-CE3 4.03Å; Y63-W73 AromaticContact CE2-CH2 3.56Å; Y63-W73 HydrophobicContact CE2-CH2 3.56Å; Y63-W73 AromaticContact CE2-CZ3 3.17Å; Y63-W73 HydrophobicContact CE2-CZ3 3.17Å; Y63-W73 HydrophobicContact CG-CH2 4.16Å; Y63-I78 HydrophobicContact CE2-CG1 3.9Å; Y63-I78 WeakPolarHBondContact OH-CD1 3.36Å; Y63-I78 WeakPolarHBondContact OH-CG1 3.46Å
64	I	65.3	Low	62.7	Low	16 Å²	16	73.3 Å²	73.3	8%	0.082	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-51.3	174.1	-73.4	168.2	0	0	0	109.9	F17 L32 M60 I61 Q62 E66 K67 L68	F17-I64 HydrophobicContact CE2-CD1 4.02Å; F17-I64 HydrophobicContact CZ-CD1 4.12Å; L32-I64 HydrophobicContact CB-CD1 4.39Å; L32-I64 HydrophobicContact CD1-CD1 4.04Å; L32-I64 HydrophobicContact CD1-CG1 3.52Å; L32-I64 HydrophobicContact CD2-CD1 3.88Å; L32-I64 HydrophobicContact CD2-CG1 3.65Å; L32-I64 HydrophobicContact CG-CD1 4.31Å; L32-I64 HydrophobicContact CG-CG1 4.12Å; M60-I64 WeakPolarHBondContact O-CB 3.2Å; M60-I64 WeakPolarHBondContact O-CG1 3.4Å; M60-I64 PolarHBondContact O-N 2.78Å; I61-I64 PolarHBondContact O-N 3.34Å; Q62-I64 VanDerWaalsContact C-N 3.35Å; Q62-I64 PolarHBondContact O-N 3.45Å; I64-E66 PolarHBondContact O-N 3.47Å; I64-K67 WeakPolarHBondContact O-CB 3.45Å; I64-K67 PolarHBondContact O-N 3.35Å; I64-K67 VanDerWaalsContact O-N 3.15Å; I64-L68 HydrophobicContact CG2-CD1 3.33Å; I64-L68 HydrophobicContact CG2-CG 4.21Å; I64-L68 WeakPolarHBondContact O-CB 3.21Å; I64-L68 VanDerWaalsContact O-CD1 3.28Å; I64-L68 WeakPolarHBondContact O-CD1 3.45Å; I64-L68 WeakPolarHBondContact O-CG 3.2Å; I64-L68 PolarHBondContact O-N 2.71Å
65	W	60.7	Low	61	Low	65 Å²	65	76.6 Å²	76.6	25%	0.246	37%	0.374	C	S	.	.	H	α-helix	trans	-58	-50	-177.4	-175.7	88.9	0	0	0	111.2	Y6 I61 Q62 K67 L68 H69 T70	Y6-W65 HydrophobicContact CE1-CH2 4.15Å; Y6-W65 AromaticContact CE1-CZ2 3.86Å; Y6-W65 HydrophobicContact CE1-CZ2 3.86Å; I61-W65 VanDerWaalsContact O-CB 3.26Å; I61-W65 WeakPolarHBondContact O-CB 3.33Å; I61-W65 PolarHBondContact O-N 2.85Å; Q62-W65 PolarHBondContact O-N 2.83Å; W65-K67 PolarHBondContact O-N 2.88Å; W65-L68 PolarHBondContact O-N 3.22Å; W65-H69 AromaticContact CD1-CE1 3.8Å; W65-H69 AromaticContact CD1-ND1 3.77Å; W65-H69 AromaticContact CG-ND1 3.98Å; W65-H69 HydrophobicContact CZ2-CB 4.38Å; W65-H69 AromaticContact NE1-CE1 3.87Å; W65-H69 AromaticContact NE1-ND1 3.82Å; W65-H69 WeakPolarHBondContact O-CB 3.46Å; W65-H69 PolarHBondContact O-N 3.34Å; W65-H69 PolarHBondContact O-ND1 3.43Å; W65-T70 HydrophobicContact CZ3-CG2 4.26Å
66	E	58.3	Low	58.9	Low	86 Å²	86	73.3 Å²	73.3	40%	0.402	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-40.1	176.1	-84	-162.3	152.9	0	0	111.8	Q62 I64 L68 H69 T70 W73	Q62-E66 WeakPolarHBondContact O-CB 3.34Å; Q62-E66 PolarHBondContact O-N 3.35Å; I64-E66 PolarHBondContact O-N 3.47Å; E66-L68 PolarHBondContact O-N 3.25Å; E66-H69 PolarHBondContact O-N 2.93Å; E66-T70 HydrophobicContact CB-CG2 4.32Å; E66-T70 HydrophobicContact CG-CG2 4.15Å; E66-T70 PolarHBondContact O-N 3.31Å; E66-T70 PolarHBondContact O-OG1 2.88Å; E66-W73 HydrophobicContact CB-CZ2 3.4Å; E66-W73 HydrophobicContact CG-CZ2 4.43Å; E66-W73 PolarHBondContact O-NE1 2.89Å; E66-W73 VanDerWaalsContact OE2-CZ2 3.28Å; E66-W73 WeakPolarHBondContact OE2-CZ2 3.24Å
67	K	58.9	Low	56.8	Low	56 Å²	56	77.4 Å²	77.4	24%	0.243	38%	0.38	C	S	.	.	H	α-helix	trans	-53.7	-38.8	174.1	-103.5	-92.5	-180	171.6	0	112.2	Y28 Y63 I64 W65 W73	Y28-K67 VanDerWaalsContact CE1-NZ 3.28Å; Y63-K67 HydrophobicContact CD1-CG 4.48Å; Y63-K67 HydrophobicContact CE1-CG 3.94Å; Y63-K67 VanDerWaalsContact O-CB 3.24Å; Y63-K67 WeakPolarHBondContact O-CB 3.36Å; Y63-K67 PolarHBondContact O-N 3.42Å; Y63-K67 WeakPolarHBondContact OH-CE 3.26Å; I64-K67 WeakPolarHBondContact O-CB 3.45Å; I64-K67 PolarHBondContact O-N 3.35Å; I64-K67 VanDerWaalsContact O-N 3.15Å; W65-K67 PolarHBondContact O-N 2.88Å; K67-W73 VanDerWaalsContact CA-NE1 3.28Å; K67-W73 HydrophobicContact CD-CD2 4.47Å; K67-W73 HydrophobicContact CD-CG 4.47Å; K67-W73 HydrophobicContact CG-CD2 4.01Å; K67-W73 HydrophobicContact CG-CE3 4.34Å; K67-W73 HydrophobicContact CG-CG 4.39Å; K67-W73 HydrophobicContact CG-CZ2 4.34Å
68	L	56	Low	54.8	Low	41 Å²	41	81 Å²	81	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-84.2	-28.6	-175.1	-66.5	164.8	0	0	0	113	L20 Y24 I64 W65 E66	L20-L68 HydrophobicContact CB-CD1 4.27Å; L20-L68 HydrophobicContact CD1-CD1 3.67Å; L20-L68 HydrophobicContact CD2-CB 4.28Å; L20-L68 HydrophobicContact CD2-CD1 3.19Å; L20-L68 HydrophobicContact CD2-CD2 3.32Å; L20-L68 HydrophobicContact CD2-CG 3.71Å; L20-L68 HydrophobicContact CG-CD1 3.87Å; Y24-L68 HydrophobicContact CD2-CD2 3.55Å; Y24-L68 HydrophobicContact CE2-CD2 3.15Å; Y24-L68 HydrophobicContact CG-CD2 4.43Å; I64-L68 HydrophobicContact CG2-CD1 3.33Å; I64-L68 HydrophobicContact CG2-CG 4.21Å; I64-L68 WeakPolarHBondContact O-CB 3.21Å; I64-L68 VanDerWaalsContact O-CD1 3.28Å; I64-L68 WeakPolarHBondContact O-CD1 3.45Å; I64-L68 WeakPolarHBondContact O-CG 3.2Å; I64-L68 PolarHBondContact O-N 2.71Å; W65-L68 PolarHBondContact O-N 3.22Å; E66-L68 PolarHBondContact O-N 3.25Å
69	H	56	Low	52.8	Low	110 Å²	110	86.7 Å²	86.7	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-116	-24.2	-167.1	-62.2	79.8	0	0	0	114.7	W65 E66	W65-H69 AromaticContact CD1-CE1 3.8Å; W65-H69 AromaticContact CD1-ND1 3.77Å; W65-H69 AromaticContact CG-ND1 3.98Å; W65-H69 HydrophobicContact CZ2-CB 4.38Å; W65-H69 AromaticContact NE1-CE1 3.87Å; W65-H69 AromaticContact NE1-ND1 3.82Å; W65-H69 WeakPolarHBondContact O-CB 3.46Å; W65-H69 PolarHBondContact O-N 3.34Å; W65-H69 PolarHBondContact O-ND1 3.43Å; E66-H69 PolarHBondContact O-N 2.93Å
70	T	58.7	Low	51.1	Low	46 Å²	46	86 Å²	86	28%	0.282	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-20.9	-168.8	69.3	0	0	0	0	115.1	W65 E66 H72 W73	W65-T70 HydrophobicContact CZ3-CG2 4.26Å; E66-T70 HydrophobicContact CB-CG2 4.32Å; E66-T70 HydrophobicContact CG-CG2 4.15Å; E66-T70 PolarHBondContact O-N 3.31Å; E66-T70 PolarHBondContact O-OG1 2.88Å; T70-H72 PolarHBondContact O-CD2 3.42Å; T70-H72 PolarHBondContact O-N 2.88Å; T70-W73 PolarHBondContact OG1-NE1 3.45Å
71	G	50.3	Low	50.1	Low	59 Å²	59	88.8 Å²	88.8	61%	0.608	43%	0.433	S	S	*	.			trans	61.1	-1.7	-177.6	0	0	0	0	0	115.4	W73	G71-W73 PolarHBondContact O-N 2.98Å
72	H	47.5	Very low	49.7	Very low	146 Å²	146	94 Å²	94	68%	0.676	45%	0.453	S	S	*	.			trans	-73.9	10.5	-172.6	-86	-59.7	0	0	0	114.8	T70 Q74	T70-H72 PolarHBondContact O-CD2 3.42Å; T70-H72 PolarHBondContact O-N 2.88Å; H72-Q74 VanDerWaalsContact C-N 3.3Å; H72-Q74 PolarHBondContact O-N 3.33Å
73	W	46.8	Very low	50.2	Low	40 Å²	40	90.6 Å²	90.6	15%	0.152	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-83.6	5.4	-165.4	-67.3	83.9	0	0	0	115.7	Y63 E66 K67 T70 G71 H75 V76	Y63-W73 AromaticContact CD2-CH2 3.36Å; Y63-W73 HydrophobicContact CD2-CH2 3.36Å; Y63-W73 HydrophobicContact CD2-CZ2 4.38Å; Y63-W73 AromaticContact CD2-CZ3 3.52Å; Y63-W73 HydrophobicContact CD2-CZ3 3.52Å; Y63-W73 HydrophobicContact CE2-CE3 4.03Å; Y63-W73 AromaticContact CE2-CH2 3.56Å; Y63-W73 HydrophobicContact CE2-CH2 3.56Å; Y63-W73 AromaticContact CE2-CZ3 3.17Å; Y63-W73 HydrophobicContact CE2-CZ3 3.17Å; Y63-W73 HydrophobicContact CG-CH2 4.16Å; E66-W73 HydrophobicContact CB-CZ2 3.4Å; E66-W73 HydrophobicContact CG-CZ2 4.43Å; E66-W73 PolarHBondContact O-NE1 2.89Å; E66-W73 VanDerWaalsContact OE2-CZ2 3.28Å; E66-W73 WeakPolarHBondContact OE2-CZ2 3.24Å; K67-W73 VanDerWaalsContact CA-NE1 3.28Å; K67-W73 HydrophobicContact CD-CD2 4.47Å; K67-W73 HydrophobicContact CD-CG 4.47Å; K67-W73 HydrophobicContact CG-CD2 4.01Å; K67-W73 HydrophobicContact CG-CE3 4.34Å; K67-W73 HydrophobicContact CG-CG 4.39Å; K67-W73 HydrophobicContact CG-CZ2 4.34Å; T70-W73 PolarHBondContact OG1-NE1 3.45Å; G71-W73 PolarHBondContact O-N 2.98Å; W73-H75 PolarHBondContact O-N 3.43Å; W73-V76 HydrophobicContact CD2-CB 4.17Å; W73-V76 HydrophobicContact CD2-CG2 3.96Å; W73-V76 HydrophobicContact CE3-CB 3.3Å; W73-V76 HydrophobicContact CE3-CG1 3.82Å; W73-V76 HydrophobicContact CE3-CG2 3.58Å; W73-V76 HydrophobicContact CH2-CB 4.16Å; W73-V76 HydrophobicContact CH2-CG1 3.84Å; W73-V76 HydrophobicContact CH2-CG2 4.17Å; W73-V76 HydrophobicContact CZ3-CB 3.27Å; W73-V76 HydrophobicContact CZ3-CG1 3.18Å; W73-V76 HydrophobicContact CZ3-CG2 3.68Å
74	Q	34.6	Very low	51.3	Low	175 Å²	175	93.5 Å²	93.5	82%	0.818	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-60.7	-12.8	170.5	-52	-173.6	13.3	0	0	111.8	H72	H72-Q74 VanDerWaalsContact C-N 3.3Å; H72-Q74 PolarHBondContact O-N 3.33Å
75	H	38.5	Very low	52.5	Low	155 Å²	155	94.5 Å²	94.5	72%	0.718	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-131.6	10.4	-171.3	-57.3	-35.1	0	0	0	115.7	W73	W73-H75 PolarHBondContact O-N 3.43Å
76	V	33.6	Very low	54.1	Low	59 Å²	59	95.9 Å²	95.9	36%	0.358	47%	0.472	S	S	.	.			trans	-104.7	114.4	-179.9	-168.7	0	0	0	0	111.2	W73 I78	W73-V76 HydrophobicContact CD2-CB 4.17Å; W73-V76 HydrophobicContact CD2-CG2 3.96Å; W73-V76 HydrophobicContact CE3-CB 3.3Å; W73-V76 HydrophobicContact CE3-CG1 3.82Å; W73-V76 HydrophobicContact CE3-CG2 3.58Å; W73-V76 HydrophobicContact CH2-CB 4.16Å; W73-V76 HydrophobicContact CH2-CG1 3.84Å; W73-V76 HydrophobicContact CH2-CG2 4.17Å; W73-V76 HydrophobicContact CZ3-CB 3.27Å; W73-V76 HydrophobicContact CZ3-CG1 3.18Å; W73-V76 HydrophobicContact CZ3-CG2 3.68Å; V76-I78 PolarHBondContact O-N 3.21Å; V76-I78 VanDerWaalsContact O-N 3.15Å
77	H	33	Very low	55.7	Low	142 Å²	142	97.7 Å²	97.7	66%	0.657	48%	0.48	S	S	*	.			trans	-71.3	98.5	176.4	-67.8	-87.1	0	0	0	110.6	Y79 D80	H77-Y79 PolarHBondContact O-N 2.84Å; H77-D80 IonicContact CE1-OD2 3.89Å; H77-D80 PolarHBondContact CE1-OD2 2.86Å; H77-D80 IonicContact CG-OD2 2.89Å; H77-D80 IonicContact ND1-OD2 3.15Å; H77-D80 PolarHBondContact ND1-OD2 3.36Å
78	I	33	Very low	57.5	Low	89 Å²	89	95.3 Å²	95.3	46%	0.456	47%	0.47	S	S	.	.			trans	-63.5	119.7	158.3	-56.8	166.8	0	0	0	105	Y63 V76 D80	Y63-I78 HydrophobicContact CE2-CG1 3.9Å; Y63-I78 WeakPolarHBondContact OH-CD1 3.36Å; Y63-I78 WeakPolarHBondContact OH-CG1 3.46Å; V76-I78 PolarHBondContact O-N 3.21Å; V76-I78 VanDerWaalsContact O-N 3.15Å; I78-D80 VanDerWaalsContact C-N 3.27Å; I78-D80 WeakPolarHBondContact O-CA 3.47Å; I78-D80 PolarHBondContact O-N 2.91Å
79	Y	30.2	Very low	59.5	Low	200 Å²	200	100.3 Å²	100.3	78%	0.784	49%	0.49	S	S	*	.			trans	-4.7	83.9	176.9	-79.8	-82.6	0	0	0	111.7	H77 I81	H77-Y79 PolarHBondContact O-N 2.84Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 3.45Å
80	D	40.9	Very low	61.5	Low	100 Å²	100	98.8 Å²	98.8	54%	0.535	48%	0.483	S	S	.	.			trans	-62	106.4	-179	-88.8	-24.6	0	0	0	103.2	H77 I78 K82	H77-D80 IonicContact CE1-OD2 3.89Å; H77-D80 PolarHBondContact CE1-OD2 2.86Å; H77-D80 IonicContact CG-OD2 2.89Å; H77-D80 IonicContact ND1-OD2 3.15Å; H77-D80 PolarHBondContact ND1-OD2 3.36Å; I78-D80 VanDerWaalsContact C-N 3.27Å; I78-D80 WeakPolarHBondContact O-CA 3.47Å; I78-D80 PolarHBondContact O-N 2.91Å; D80-K82 HydrophobicContact CB-CB 4.44Å; D80-K82 PolarHBondContact O-N 3.06Å
81	I	52.1	Low	63.4	Low	81 Å²	81	99.3 Å²	99.3	42%	0.415	48%	0.48	S	S	.	.			trans	-65.8	83.5	160.9	-61	177.4	0	0	0	102.6	Y79 L83 I295 L297	Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 3.45Å; I81-L83 HydrophobicContact CG2-CD2 3.79Å; I81-L83 HydrophobicContact CG2-CG 4Å; I81-L83 PolarHBondContact O-N 3.41Å; I81-I295 HydrophobicContact CD1-CB 4.28Å; I81-I295 HydrophobicContact CD1-CG2 4.42Å; I81-I295 HydrophobicContact CG2-CD1 4.39Å; I81-L297 HydrophobicContact CD1-CD1 4.04Å; I81-L297 HydrophobicContact CD1-CG 4.39Å; I81-L297 HydrophobicContact CG1-CD1 3.98Å; I81-L297 HydrophobicContact CG2-CD1 4.05Å
82	K	58.4	Low	65.7	Low	184 Å²	184	101.9 Å²	101.9	80%	0.8	48%	0.48	S	S	*	.			trans	-78.3	78.3	179.2	-154.2	177	-172.8	178.1	0	104.6	D80 N84	D80-K82 HydrophobicContact CB-CB 4.44Å; D80-K82 PolarHBondContact O-N 3.06Å; K82-N84 PolarHBondContact O-N 3.21Å
83	L	77.1	Confident	68.1	Low	27 Å²	27	98.3 Å²	98.3	14%	0.141	47%	0.471	C	S	.	.			trans	-53.6	138	165.8	-62.5	176.5	0	0	0	106.6	I81 L85 I295 L303	I81-L83 HydrophobicContact CG2-CD2 3.79Å; I81-L83 HydrophobicContact CG2-CG 4Å; I81-L83 PolarHBondContact O-N 3.41Å; L83-L85 HydrophobicContact CB-CD1 3.76Å; L83-L85 HydrophobicContact CB-CD2 4.46Å; L83-L85 HydrophobicContact CB-CG 3.64Å; L83-L85 HydrophobicContact CD1-CD1 3.91Å; L83-L85 PolarHBondContact O-N 2.89Å; L83-I295 HydrophobicContact CD1-CD1 3.97Å; L83-I295 HydrophobicContact CD2-CD1 4.28Å; L83-I295 HydrophobicContact CG-CD1 4.48Å; L83-L303 HydrophobicContact CD2-CD1 4.44Å; L83-L303 HydrophobicContact CD2-CD2 3.97Å; L83-L303 HydrophobicContact CD2-CG 3.86Å
84	N	88.1	Confident	70.5	Confident	87 Å²	87	96.7 Å²	96.7	47%	0.465	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	65.2	-179.3	-175.9	19.6	0	0	0	109.8	K82 A306 Y307 G308	K82-N84 PolarHBondContact O-N 3.21Å; N84-A306 WeakPolarHBondContact CB-O 3.44Å; N84-Y307 WeakPolarHBondContact ND2-CB 3.33Å; N84-Y307 CarbonylContact O-C 3.24Å; N84-Y307 VanDerWaalsContact O-CA 3.24Å; N84-Y307 WeakPolarHBondContact O-CA 3.39Å; N84-G308 PolarHBondContact O-N 3.45Å
85	L	90.7	Very high	73.5	Confident	37 Å²	37	91.3 Å²	91.3	19%	0.194	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135	-176.9	-56.9	175.9	0	0	0	110	L83 I267 Y269 G308 Y310	L83-L85 HydrophobicContact CB-CD1 3.76Å; L83-L85 HydrophobicContact CB-CD2 4.46Å; L83-L85 HydrophobicContact CB-CG 3.64Å; L83-L85 HydrophobicContact CD1-CD1 3.91Å; L83-L85 PolarHBondContact O-N 2.89Å; L85-I267 HydrophobicContact CD1-CG2 4.03Å; L85-I267 HydrophobicContact CD2-CG2 4.12Å; L85-Y269 HydrophobicContact CD2-CE1 3.78Å; L85-G308 WeakPolarHBondContact CA-O 3.37Å; L85-Y310 HydrophobicContact CB-CD1 3.67Å; L85-Y310 HydrophobicContact CB-CE1 4.43Å; L85-Y310 HydrophobicContact CB-CG 4.38Å
86	I	92.6	Very high	76.2	Confident	93 Å²	93	86.9 Å²	86.9	48%	0.477	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.7	170.7	61.7	169.7	0	0	0	110.5	G308 Y309 Y310	I86-G308 WeakPolarHBondContact CG1-O 3.38Å; I86-G308 PolarHBondContact N-O 2.84Å; I86-Y309 HydrophobicContact CD1-CD1 3.96Å; I86-Y309 HydrophobicContact CD1-CE1 3.65Å; I86-Y309 HydrophobicContact CG1-CD1 3.69Å; I86-Y309 HydrophobicContact CG1-CE1 3.9Å; I86-Y309 HydrophobicContact CG1-CG 4.46Å; I86-Y309 CarbonylContact O-C 3.58Å; I86-Y309 WeakPolarHBondContact O-CA 3.46Å; I86-Y310 WeakPolarHBondContact O-CD1 3.18Å; I86-Y310 PolarHBondContact O-N 2.94Å
87	Q	92.7	Very high	79.2	Confident	125 Å²	125	90.1 Å²	90.1	58%	0.584	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.5	-179.3	-169	173.5	-8.2	0	0	111	K89 Y310	Q87-K89 PolarHBondContact O-N 3.46Å; Q87-Y310 CarbonylContact C-O 3.52Å; Q87-Y310 WeakPolarHBondContact CA-O 3.27Å; Q87-Y310 HydrophobicContact CB-CE1 4.05Å
88	L	96.3	Very high	82.2	Confident	6 Å²	6	86.7 Å²	86.7	3%	0.031	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-58.4	134.9	172.6	-75.8	168	0	0	0	110.9	H90 P108 I110 L268 Y309 Y310 L319	L88-H90 PolarHBondContact O-CD2 2.87Å; L88-P108 HydrophobicContact CD2-CB 3.74Å; L88-P108 HydrophobicContact CD2-CG 3.74Å; L88-P108 WeakPolarHBondContact CD2-O 3.4Å; L88-I110 HydrophobicContact CB-CD1 4.04Å; L88-I110 HydrophobicContact CB-CG1 4.22Å; L88-I110 HydrophobicContact CD1-CD1 3.9Å; L88-I110 HydrophobicContact CD1-CG1 4.05Å; L88-L268 HydrophobicContact CD1-CD1 3.84Å; L88-L268 HydrophobicContact CD2-CD1 4.09Å; L88-L268 HydrophobicContact CG-CD1 4.33Å; L88-Y309 HydrophobicContact CD2-CD1 4.35Å; L88-Y309 HydrophobicContact CD2-CG 4.25Å; L88-Y310 PolarHBondContact N-O 3.45Å; L88-L319 HydrophobicContact CD1-CD1 3.82Å; L88-L319 HydrophobicContact CD2-CD1 4.43Å
89	K	98.2	Very high	85.3	Confident	145 Å²	145	82.5 Å²	82.5	63%	0.63	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	142	172.4	-67.7	-172.7	179.3	-175.3	0	109.8	Q87 Y91 F109 I110	Q87-K89 PolarHBondContact O-N 3.46Å; K89-Y91 HydrophobicContact CB-CE2 3.89Å; K89-F109 WeakPolarHBondContact O-CB 3.26Å; K89-I110 PolarHBondContact O-N 3.48Å
90	H	98.3	Very high	88.4	Confident	78 Å²	78	75.8 Å²	75.8	36%	0.361	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.2	173.8	-71.5	-110.7	0	0	0	110.6	L88 I110 N112 E317	L88-H90 PolarHBondContact O-CD2 2.87Å; H90-I110 CarbonylContact C-O 3.52Å; H90-I110 VanDerWaalsContact CA-O 3.31Å; H90-I110 WeakPolarHBondContact CA-O 3.43Å; H90-I110 WeakPolarHBondContact ND1-CG2 3.25Å; H90-N112 PolarHBondContact ND1-ND2 3.21Å; H90-N112 PolarHBondContact ND1-OD1 3.41Å; H90-N112 VanDerWaalsContact ND1-OD1 3.09Å; H90-E317 IonicContact CE1-OE1 3.4Å; H90-E317 IonicContact ND1-OE1 3.47Å
91	Y	98.5	Very high	91.1	Very high	58 Å²	58	78 Å²	78	23%	0.227	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.9	173.2	-65	-87.5	0	0	0	109.1	K89 C93 L102 F109 I110 I111 N112	K89-Y91 HydrophobicContact CB-CE2 3.89Å; Y91-C93 PolarHBondContact O-N 3.42Å; Y91-L102 HydrophobicContact CD1-CD1 3.88Å; Y91-L102 HydrophobicContact CD1-CD2 4.46Å; Y91-L102 HydrophobicContact CD2-CD1 3.88Å; Y91-L102 HydrophobicContact CE1-CD1 4Å; Y91-L102 HydrophobicContact CE1-CD2 3.74Å; Y91-L102 HydrophobicContact CE2-CD1 4.01Å; Y91-L102 HydrophobicContact CE2-CD2 3.93Å; Y91-L102 HydrophobicContact CG-CD1 3.81Å; Y91-L102 VanDerWaalsContact CZ-CD2 3.44Å; Y91-L102 WeakPolarHBondContact OH-CD2 3.3Å; Y91-F109 HydrophobicContact CD2-CB 3.92Å; Y91-F109 AromaticContact CD2-CD2 3.78Å; Y91-F109 HydrophobicContact CD2-CD2 3.78Å; Y91-F109 HydrophobicContact CD2-CG 4Å; Y91-F109 HydrophobicContact CE2-CB 3.82Å; Y91-F109 HydrophobicContact CE2-CD2 4.3Å; Y91-F109 HydrophobicContact CE2-CG 4.07Å; Y91-I110 PolarHBondContact N-O 2.77Å; Y91-I111 WeakPolarHBondContact O-CA 3.33Å; Y91-N112 PolarHBondContact O-N 2.85Å
92	N	98.2	Very high	93.2	Very high	113 Å²	113	74.7 Å²	74.7	60%	0.604	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	107	-179.4	-177.4	22.7	0	0	0	109.9	N113	N92-N113 WeakPolarHBondContact OD1-CB 3.41Å; N92-N113 PolarHBondContact OD1-ND2 2.98Å
93	C	97.6	Very high	95	Very high	71 Å²	71	66 Å²	66	48%	0.48	33%	0.332	S	S	.	.	S	Bend	trans	38.8	63.7	-179.7	-162.2	0	0	0	0	113.3	Y91 N112 S114	Y91-C93 PolarHBondContact O-N 3.42Å; C93-N112 PolarHBondContact N-O 2.78Å; C93-S114 WeakPolarHBondContact CA-OG 3.29Å
94	P	98	Very high	95.8	Very high	6 Å²	6	68.9 Å²	68.9	4%	0.039	35%	0.345	C	S	.	.			trans	-60.4	142.5	-178.3	27.1	-33.5	0	0	0	110.4	L98 L102 I111 Y213	P94-L98 HydrophobicContact CB-CB 4.21Å; P94-L98 HydrophobicContact CB-CD2 3.82Å; P94-L98 HydrophobicContact CB-CG 4.02Å; P94-L102 HydrophobicContact CB-CD1 4.48Å; P94-I111 HydrophobicContact CG-CD1 4.42Å; P94-I111 HydrophobicContact CG-CG1 4.31Å; P94-I111 HydrophobicContact CG-CG2 4.29Å; P94-Y213 WeakPolarHBondContact CD-OH 3.46Å; P94-Y213 HydrophobicContact CG-CE1 4.22Å; P94-Y213 WeakPolarHBondContact O-CE1 3.41Å; P94-Y213 PolarHBondContact O-OH 3.04Å
95	S	97.8	Very high	96.2	Very high	62 Å²	62	69.7 Å²	69.7	43%	0.434	35%	0.348	S	S	.	.			trans	-61.5	161.2	170.4	82.3	0	0	0	0	110.4	E97 L98 F99	S95-E97 WeakPolarHBondContact CB-OE2 3.36Å; S95-E97 PolarHBondContact O-N 3.37Å; S95-E97 PolarHBondContact OG-N 3.1Å; S95-E97 PolarHBondContact OG-OE2 3.47Å; S95-L98 PolarHBondContact O-N 3.05Å; S95-L98 VanDerWaalsContact O-N 3.14Å; S95-L98 PolarHBondContact OG-N 2.85Å; S95-F99 WeakPolarHBondContact O-CB 3.28Å; S95-F99 PolarHBondContact O-N 3.23Å
96	I	96	Very high	96.4	Very high	62 Å²	62	69.9 Å²	69.9	32%	0.318	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-38.9	177.7	-67.2	-58.8	0	0	0	111.5	F99 N100 D212 Y213 I216	I96-F99 PolarHBondContact O-N 2.92Å; I96-N100 WeakPolarHBondContact O-CB 3.2Å; I96-N100 PolarHBondContact O-N 3.48Å; I96-D212 HydrophobicContact CD1-CB 4.06Å; I96-Y213 HydrophobicContact CD1-CD1 3.86Å; I96-Y213 HydrophobicContact CD1-CE1 4.05Å; I96-I216 HydrophobicContact CD1-CG1 4.4Å; I96-I216 HydrophobicContact CG2-CD1 3.33Å; I96-I216 HydrophobicContact CG2-CG1 3.95Å
97	E	95.6	Very high	96.6	Very high	126 Å²	126	70.6 Å²	70.6	59%	0.589	35%	0.349	S	S	*	.	H	α-helix	trans	-66.3	-40.4	177.6	-53	78.2	-173	0	0	111.8	S95 K101	S95-E97 WeakPolarHBondContact CB-OE2 3.36Å; S95-E97 PolarHBondContact O-N 3.37Å; S95-E97 PolarHBondContact OG-N 3.1Å; S95-E97 PolarHBondContact OG-OE2 3.47Å; E97-K101 WeakPolarHBondContact O-CG 3.32Å; E97-K101 PolarHBondContact O-N 2.96Å; E97-K101 VanDerWaalsContact O-N 3.11Å
98	L	97.1	Very high	96.8	Very high	71 Å²	71	64.9 Å²	64.9	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-45.8	175.7	178.7	58.1	0	0	0	110.6	P94 S95 N100 K101 L102	P94-L98 HydrophobicContact CB-CB 4.21Å; P94-L98 HydrophobicContact CB-CD2 3.82Å; P94-L98 HydrophobicContact CB-CG 4.02Å; S95-L98 PolarHBondContact O-N 3.05Å; S95-L98 VanDerWaalsContact O-N 3.14Å; S95-L98 PolarHBondContact OG-N 2.85Å; L98-N100 VanDerWaalsContact C-N 3.3Å; L98-N100 PolarHBondContact O-N 3.16Å; L98-K101 WeakPolarHBondContact O-CB 3.44Å; L98-K101 PolarHBondContact O-N 3.33Å; L98-K101 VanDerWaalsContact O-N 3.09Å; L98-L102 HydrophobicContact CD1-CD1 4.48Å; L98-L102 HydrophobicContact CD1-CG 4.23Å; L98-L102 HydrophobicContact CG-CD1 4.11Å; L98-L102 HydrophobicContact CG-CG 4.33Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.22Å; L98-L102 PolarHBondContact O-N 2.96Å
99	F	97.4	Very high	96.9	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-56.5	-45.7	175.9	-179.4	-95.2	0	0	0	111.2	S95 I96 K101 L102 I103 F109 I111 Y213 I216 Y320 W342	S95-F99 WeakPolarHBondContact O-CB 3.28Å; S95-F99 PolarHBondContact O-N 3.23Å; I96-F99 PolarHBondContact O-N 2.92Å; F99-K101 VanDerWaalsContact C-N 3.32Å; F99-K101 PolarHBondContact O-N 3.44Å; F99-L102 WeakPolarHBondContact O-CB 3.27Å; F99-L102 PolarHBondContact O-N 2.83Å; F99-I103 HydrophobicContact CD1-CG2 4.11Å; F99-I103 HydrophobicContact CE1-CG2 3.56Å; F99-I103 HydrophobicContact CE2-CG2 4.04Å; F99-I103 HydrophobicContact CZ-CG2 3.51Å; F99-I103 PolarHBondContact O-N 2.95Å; F99-F109 HydrophobicContact CD2-CE2 4.11Å; F99-F109 AromaticContact CD2-CZ 3.85Å; F99-F109 HydrophobicContact CD2-CZ 3.85Å; F99-F109 HydrophobicContact CE2-CE2 4.05Å; F99-F109 AromaticContact CE2-CZ 3.67Å; F99-F109 HydrophobicContact CE2-CZ 3.67Å; F99-I111 HydrophobicContact CD2-CD1 3.93Å; F99-I111 HydrophobicContact CE2-CD1 3.83Å; F99-Y213 HydrophobicContact CB-CD1 3.64Å; F99-Y213 HydrophobicContact CB-CE1 3.78Å; F99-Y213 AromaticContact CD1-CD1 3.72Å; F99-Y213 HydrophobicContact CD1-CD1 3.72Å; F99-Y213 HydrophobicContact CD1-CG 4.25Å; F99-Y213 AromaticContact CD2-CD1 3.57Å; F99-Y213 HydrophobicContact CD2-CD1 3.57Å; F99-Y213 HydrophobicContact CD2-CE1 4.08Å; F99-Y213 AromaticContact CD2-CG 3.92Å; F99-Y213 HydrophobicContact CD2-CG 3.92Å; F99-Y213 HydrophobicContact CE1-CD1 4.28Å; F99-Y213 HydrophobicContact CE1-CG 4.36Å; F99-Y213 WeakPolarHBondContact CE1-O 3.32Å; F99-Y213 HydrophobicContact CE2-CD1 4.16Å; F99-Y213 HydrophobicContact CE2-CG 4.04Å; F99-Y213 AromaticContact CG-CD1 3.33Å; F99-Y213 HydrophobicContact CG-CD1 3.33Å; F99-Y213 AromaticContact CG-CE1 3.93Å; F99-Y213 HydrophobicContact CG-CE1 3.93Å; F99-Y213 HydrophobicContact CG-CG 4.03Å; F99-Y213 HydrophobicContact CZ-CD1 4.48Å; F99-Y213 HydrophobicContact CZ-CG 4.27Å; F99-I216 HydrophobicContact CD1-CB 4.09Å; F99-I216 HydrophobicContact CD1-CG1 4.13Å; F99-I216 HydrophobicContact CD1-CG2 4.28Å; F99-I216 HydrophobicContact CE1-CB 4.11Å; F99-I216 HydrophobicContact CE1-CG1 4.49Å; F99-Y320 HydrophobicContact CE2-CD2 4.46Å; F99-Y320 HydrophobicContact CZ-CD2 4.18Å; F99-Y320 HydrophobicContact CZ-CE2 4.43Å; F99-W342 HydrophobicContact CZ-CZ2 4.25Å
100	N	95.5	Very high	97	Very high	59 Å²	59	58 Å²	58	32%	0.316	29%	0.293	S	S	.	.	H	α-helix	trans	-57.6	-43.7	175.4	-170.7	31	0	0	0	111.5	I96 L98 L102 I103 Q104 I216 G218	I96-N100 WeakPolarHBondContact O-CB 3.2Å; I96-N100 PolarHBondContact O-N 3.48Å; L98-N100 VanDerWaalsContact C-N 3.3Å; L98-N100 PolarHBondContact O-N 3.16Å; N100-L102 VanDerWaalsContact C-N 3.32Å; N100-L102 PolarHBondContact O-N 3.02Å; N100-I103 WeakPolarHBondContact O-CG1 3.49Å; N100-Q104 WeakPolarHBondContact O-CG 3.48Å; N100-I216 HydrophobicContact CB-CG2 3.86Å; N100-G218 WeakPolarHBondContact OD1-CA 3.43Å
101	K	96.1	Very high	97	Very high	148 Å²	148	54.3 Å²	54.3	64%	0.643	28%	0.276	S	S	*	.	H	α-helix	trans	-64.2	-34.8	174.3	-70.5	172.5	-177.5	176.2	0	113.1	E97 L98 F99	E97-K101 WeakPolarHBondContact O-CG 3.32Å; E97-K101 PolarHBondContact O-N 2.96Å; E97-K101 VanDerWaalsContact O-N 3.11Å; L98-K101 WeakPolarHBondContact O-CB 3.44Å; L98-K101 PolarHBondContact O-N 3.33Å; L98-K101 VanDerWaalsContact O-N 3.09Å; F99-K101 VanDerWaalsContact C-N 3.32Å; F99-K101 PolarHBondContact O-N 3.44Å
102	L	97.2	Very high	97	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-70.4	-42.5	-178.7	-69.3	173.4	0	0	0	112.2	Y91 P94 L98 F99 N100 Q104 L105 F109	Y91-L102 HydrophobicContact CD1-CD1 3.88Å; Y91-L102 HydrophobicContact CD1-CD2 4.46Å; Y91-L102 HydrophobicContact CD2-CD1 3.88Å; Y91-L102 HydrophobicContact CE1-CD1 4Å; Y91-L102 HydrophobicContact CE1-CD2 3.74Å; Y91-L102 HydrophobicContact CE2-CD1 4.01Å; Y91-L102 HydrophobicContact CE2-CD2 3.93Å; Y91-L102 HydrophobicContact CG-CD1 3.81Å; Y91-L102 VanDerWaalsContact CZ-CD2 3.44Å; Y91-L102 WeakPolarHBondContact OH-CD2 3.3Å; P94-L102 HydrophobicContact CB-CD1 4.48Å; L98-L102 HydrophobicContact CD1-CD1 4.48Å; L98-L102 HydrophobicContact CD1-CG 4.23Å; L98-L102 HydrophobicContact CG-CD1 4.11Å; L98-L102 HydrophobicContact CG-CG 4.33Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.22Å; L98-L102 PolarHBondContact O-N 2.96Å; F99-L102 WeakPolarHBondContact O-CB 3.27Å; F99-L102 PolarHBondContact O-N 2.83Å; N100-L102 VanDerWaalsContact C-N 3.32Å; N100-L102 PolarHBondContact O-N 3.02Å; L102-Q104 PolarHBondContact O-N 3.09Å; L102-L105 HydrophobicContact CD2-CD1 4.31Å; L102-L105 WeakPolarHBondContact O-CB 3.33Å; L102-L105 PolarHBondContact O-N 2.77Å; L102-L105 VanDerWaalsContact O-N 3.08Å; L102-F109 HydrophobicContact CB-CD1 4.39Å; L102-F109 HydrophobicContact CB-CE1 3.68Å; L102-F109 HydrophobicContact CB-CZ 3.78Å; L102-F109 HydrophobicContact CD1-CD2 4.49Å; L102-F109 HydrophobicContact CD1-CE2 4.09Å; L102-F109 HydrophobicContact CD1-CZ 4.13Å
103	I	96	Very high	96.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-29.7	179.2	64.3	169	0	0	0	112.2	F99 N100 L105 N106 I216 Y320 L344 L348	F99-I103 HydrophobicContact CD1-CG2 4.11Å; F99-I103 HydrophobicContact CE1-CG2 3.56Å; F99-I103 HydrophobicContact CE2-CG2 4.04Å; F99-I103 HydrophobicContact CZ-CG2 3.51Å; F99-I103 PolarHBondContact O-N 2.95Å; N100-I103 WeakPolarHBondContact O-CG1 3.49Å; I103-L105 PolarHBondContact O-N 2.85Å; I103-N106 PolarHBondContact O-N 3.03Å; I103-I216 HydrophobicContact CD1-CG2 3.92Å; I103-Y320 HydrophobicContact CB-CE1 4.31Å; I103-Y320 HydrophobicContact CG2-CD2 4.33Å; I103-Y320 HydrophobicContact CG2-CE1 3.93Å; I103-Y320 HydrophobicContact CG2-CE2 3.74Å; I103-L344 HydrophobicContact CD1-CD2 4.08Å; I103-L348 HydrophobicContact CD1-CD1 4.03Å; I103-L348 HydrophobicContact CG1-CD1 4.34Å
104	Q	94.5	Very high	96.9	Very high	89 Å²	89	49 Å²	49	42%	0.416	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21	175.5	-58.5	-75.5	-30.7	0	0	112.7	N100 L102 N106 G218	N100-Q104 WeakPolarHBondContact O-CG 3.48Å; L102-Q104 PolarHBondContact O-N 3.09Å; Q104-N106 PolarHBondContact O-N 2.96Å; Q104-G218 PolarHBondContact NE2-O 3.26Å
105	L	95.4	Very high	96.9	Very high	103 Å²	103	48.8 Å²	48.8	54%	0.539	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.5	176.6	-56.9	177.9	0	0	0	112.7	L102 I103 K107	L102-L105 HydrophobicContact CD2-CD1 4.31Å; L102-L105 WeakPolarHBondContact O-CB 3.33Å; L102-L105 PolarHBondContact O-N 2.77Å; L102-L105 VanDerWaalsContact O-N 3.08Å; I103-L105 PolarHBondContact O-N 2.85Å; L105-K107 VanDerWaalsContact C-N 3.28Å; L105-K107 WeakPolarHBondContact O-CG 3.26Å; L105-K107 PolarHBondContact O-N 3.06Å
106	N	94.6	Very high	96.7	Very high	42 Å²	42	49 Å²	49	23%	0.225	24%	0.242	C	C	.	.			trans	51.2	46.5	-175.9	-153.6	-41.7	0	0	0	112.4	I103 Q104 P322 L348	I103-N106 PolarHBondContact O-N 3.03Å; Q104-N106 PolarHBondContact O-N 2.96Å; N106-P322 WeakPolarHBondContact OD1-CB 3.44Å; N106-L348 PolarHBondContact ND2-O 3.03Å
107	K	96.9	Very high	96.7	Very high	108 Å²	108	51.1 Å²	51.1	47%	0.47	25%	0.247	S	C	.	.			trans	-130	142.3	179.9	-68.5	179.2	-176	178.5	0	110.3	L105 F109 Y309	L105-K107 VanDerWaalsContact C-N 3.28Å; L105-K107 WeakPolarHBondContact O-CG 3.26Å; L105-K107 PolarHBondContact O-N 3.06Å; K107-F109 WeakPolarHBondContact O-CD1 3.29Å; K107-Y309 WeakPolarHBondContact CD-OH 3.37Å; K107-Y309 WeakPolarHBondContact CG-OH 3.48Å
108	P	98.4	Very high	96.8	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.032	22%	0.219	C	C	.	.			trans	-72.3	148.9	174.4	31.6	-35.4	0	0	0	111.5	L88 L268 Y309 Y320	L88-P108 HydrophobicContact CD2-CB 3.74Å; L88-P108 HydrophobicContact CD2-CG 3.74Å; L88-P108 WeakPolarHBondContact CD2-O 3.4Å; P108-L268 HydrophobicContact CB-CD1 4.36Å; P108-L268 HydrophobicContact CB-CD2 3.83Å; P108-L268 HydrophobicContact CG-CB 4.26Å; P108-L268 HydrophobicContact CG-CD1 4.37Å; P108-L268 HydrophobicContact CG-CD2 4.2Å; P108-Y309 HydrophobicContact CG-CD1 4.15Å; P108-Y309 HydrophobicContact CG-CD2 3.45Å; P108-Y309 VanDerWaalsContact CG-CD2 3.45Å; P108-Y309 HydrophobicContact CG-CE2 3.91Å; P108-Y309 HydrophobicContact CG-CG 3.6Å; P108-Y320 VanDerWaalsContact CA-O 3.25Å; P108-Y320 WeakPolarHBondContact CA-O 3.38Å; P108-Y320 WeakPolarHBondContact CB-O 3.44Å
109	F	98.6	Very high	96.9	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	160.8	176.4	58.4	-93.1	0	0	0	111	K89 Y91 F99 L102 K107 I111 Y320	K89-F109 WeakPolarHBondContact O-CB 3.26Å; Y91-F109 HydrophobicContact CD2-CB 3.92Å; Y91-F109 AromaticContact CD2-CD2 3.78Å; Y91-F109 HydrophobicContact CD2-CD2 3.78Å; Y91-F109 HydrophobicContact CD2-CG 4Å; Y91-F109 HydrophobicContact CE2-CB 3.82Å; Y91-F109 HydrophobicContact CE2-CD2 4.3Å; Y91-F109 HydrophobicContact CE2-CG 4.07Å; F99-F109 HydrophobicContact CD2-CE2 4.11Å; F99-F109 AromaticContact CD2-CZ 3.85Å; F99-F109 HydrophobicContact CD2-CZ 3.85Å; F99-F109 HydrophobicContact CE2-CE2 4.05Å; F99-F109 AromaticContact CE2-CZ 3.67Å; F99-F109 HydrophobicContact CE2-CZ 3.67Å; L102-F109 HydrophobicContact CB-CD1 4.39Å; L102-F109 HydrophobicContact CB-CE1 3.68Å; L102-F109 HydrophobicContact CB-CZ 3.78Å; L102-F109 HydrophobicContact CD1-CD2 4.49Å; L102-F109 HydrophobicContact CD1-CE2 4.09Å; L102-F109 HydrophobicContact CD1-CZ 4.13Å; K107-F109 WeakPolarHBondContact O-CD1 3.29Å; F109-I111 HydrophobicContact CD2-CG1 3.91Å; F109-I111 HydrophobicContact CE2-CD1 3.84Å; F109-I111 HydrophobicContact CE2-CG1 3.63Å; F109-Y320 AromaticContact CD1-CD1 3.75Å; F109-Y320 HydrophobicContact CD1-CD1 3.75Å; F109-Y320 HydrophobicContact CD1-CG 4.37Å; F109-Y320 AromaticContact CE1-CD1 3.24Å; F109-Y320 HydrophobicContact CE1-CD1 3.24Å; F109-Y320 AromaticContact CE1-CE1 3.94Å; F109-Y320 HydrophobicContact CE1-CE1 3.94Å; F109-Y320 AromaticContact CE1-CG 3.77Å; F109-Y320 HydrophobicContact CE1-CG 3.77Å; F109-Y320 AromaticContact CZ-CD1 3.83Å; F109-Y320 HydrophobicContact CZ-CD1 3.83Å; F109-Y320 AromaticContact CZ-CG 3.86Å; F109-Y320 HydrophobicContact CZ-CG 3.86Å; F109-Y320 PolarHBondContact N-O 2.91Å; F109-Y320 PolarHBondContact O-N 2.9Å
110	I	98.7	Very high	96.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.4	177.7	-62.8	171.8	0	0	0	109.4	L88 K89 H90 Y91 N112 I313 E317 M318 L319	L88-I110 HydrophobicContact CB-CD1 4.04Å; L88-I110 HydrophobicContact CB-CG1 4.22Å; L88-I110 HydrophobicContact CD1-CD1 3.9Å; L88-I110 HydrophobicContact CD1-CG1 4.05Å; K89-I110 PolarHBondContact O-N 3.48Å; H90-I110 CarbonylContact C-O 3.52Å; H90-I110 VanDerWaalsContact CA-O 3.31Å; H90-I110 WeakPolarHBondContact CA-O 3.43Å; H90-I110 WeakPolarHBondContact ND1-CG2 3.25Å; Y91-I110 PolarHBondContact N-O 2.77Å; I110-N112 WeakPolarHBondContact CG2-OD1 3.49Å; I110-I313 HydrophobicContact CD1-CG2 3.94Å; I110-I313 HydrophobicContact CG1-CG2 4.19Å; I110-E317 HydrophobicContact CG2-CB 3.9Å; I110-E317 HydrophobicContact CG2-CG 4.29Å; I110-M318 CarbonylContact C-O 3.53Å; I110-M318 VanDerWaalsContact CA-O 3.3Å; I110-M318 WeakPolarHBondContact CA-O 3.39Å; I110-L319 HydrophobicContact CG1-CD1 4.12Å
111	I	98.7	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.2	172.3	-57.4	171.1	0	0	0	108.7	Y91 P94 F99 F109 S114 Y213 L256 E317 M318	Y91-I111 WeakPolarHBondContact O-CA 3.33Å; P94-I111 HydrophobicContact CG-CD1 4.42Å; P94-I111 HydrophobicContact CG-CG1 4.31Å; P94-I111 HydrophobicContact CG-CG2 4.29Å; F99-I111 HydrophobicContact CD2-CD1 3.93Å; F99-I111 HydrophobicContact CE2-CD1 3.83Å; F109-I111 HydrophobicContact CD2-CG1 3.91Å; F109-I111 HydrophobicContact CE2-CD1 3.84Å; F109-I111 HydrophobicContact CE2-CG1 3.63Å; I111-S114 WeakPolarHBondContact CG2-OG 3.35Å; I111-Y213 HydrophobicContact CD1-CD2 4Å; I111-Y213 HydrophobicContact CD1-CE2 3.97Å; I111-Y213 HydrophobicContact CG2-CE2 4.27Å; I111-L256 HydrophobicContact CD1-CD1 4.26Å; I111-E317 WeakPolarHBondContact O-CA 3.21Å; I111-M318 HydrophobicContact CB-CB 4.31Å; I111-M318 HydrophobicContact CB-CE 3.91Å; I111-M318 HydrophobicContact CD1-CE 3.97Å; I111-M318 HydrophobicContact CG2-CE 3.71Å; I111-M318 PolarHBondContact N-O 2.8Å; I111-M318 PolarHBondContact O-N 2.62Å
112	N	97.9	Very high	96.9	Very high	33 Å²	33	36.8 Å²	36.8	18%	0.176	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	153.3	176.9	-56.6	-15	0	0	0	110.1	H90 Y91 C93 I110 S114 E317	H90-N112 PolarHBondContact ND1-ND2 3.21Å; H90-N112 PolarHBondContact ND1-OD1 3.41Å; H90-N112 VanDerWaalsContact ND1-OD1 3.09Å; Y91-N112 PolarHBondContact O-N 2.85Å; C93-N112 PolarHBondContact N-O 2.78Å; I110-N112 WeakPolarHBondContact CG2-OD1 3.49Å; N112-S114 PolarHBondContact O-N 3.23Å; N112-S114 VanDerWaalsContact O-N 3.15Å; N112-E317 PolarHBondContact OD1-OE1 2.88Å
113	N	97	Very high	96.7	Very high	85 Å²	85	42.1 Å²	42.1	46%	0.455	21%	0.207	S	C	.	.	S	Bend	trans	63.4	12.8	169.2	-56.5	-43.1	0	0	0	117.1	N92 N116	N92-N113 WeakPolarHBondContact OD1-CB 3.41Å; N92-N113 PolarHBondContact OD1-ND2 2.98Å; N113-N116 PolarHBondContact OD1-ND2 3.37Å
114	S	97.1	Very high	96.5	Very high	12 Å²	12	48.5 Å²	48.5	8%	0.084	24%	0.241	C	C	.	.	S	Bend	trans	-93.1	-10.6	176.4	-59.4	0	0	0	0	114.4	C93 I111 N112 Y117 Y213 M318	C93-S114 WeakPolarHBondContact CA-OG 3.29Å; I111-S114 WeakPolarHBondContact CG2-OG 3.35Å; N112-S114 PolarHBondContact O-N 3.23Å; N112-S114 VanDerWaalsContact O-N 3.15Å; S114-Y117 WeakPolarHBondContact O-CE1 3.43Å; S114-Y213 PolarHBondContact OG-OH 2.88Å; S114-M318 VanDerWaalsContact CB-CE 3.48Å
115	I	97.5	Very high	96.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.236	C	C	.	.	S	Bend	trans	-129.8	4.9	-178	60.5	170	0	0	0	113.4	Y117 W118 I121 T258 G316 M318	I115-Y117 PolarHBondContact O-N 3.49Å; I115-W118 HydrophobicContact CB-CD2 3.79Å; I115-W118 HydrophobicContact CB-CE3 4.29Å; I115-W118 HydrophobicContact CB-CG 4.08Å; I115-W118 HydrophobicContact CB-CZ2 4.05Å; I115-W118 HydrophobicContact CD1-CZ3 4.48Å; I115-W118 HydrophobicContact CG2-CD2 4.09Å; I115-W118 VanDerWaalsContact CG2-CE2 3.43Å; I115-W118 HydrophobicContact CG2-CH2 4Å; I115-W118 HydrophobicContact CG2-CZ2 3.38Å; I115-W118 VanDerWaalsContact O-CB 3.31Å; I115-W118 WeakPolarHBondContact O-CB 3.48Å; I115-W118 VanDerWaalsContact O-CG 3.27Å; I115-W118 PolarHBondContact O-N 2.78Å; I115-I121 HydrophobicContact CB-CD1 4.15Å; I115-I121 HydrophobicContact CD1-CD1 3.54Å; I115-I121 HydrophobicContact CG1-CD1 3.71Å; I115-I121 WeakPolarHBondContact O-CD1 2.98Å; I115-T258 HydrophobicContact CD1-CG2 4.31Å; I115-G316 VanDerWaalsContact CG1-O 3.26Å; I115-G316 WeakPolarHBondContact CG1-O 3.39Å; I115-M318 HydrophobicContact CB-SD 4.44Å; I115-M318 HydrophobicContact CD1-CG 3.68Å; I115-M318 HydrophobicContact CD1-SD 4.31Å; I115-M318 HydrophobicContact CG1-CG 4.09Å; I115-M318 HydrophobicContact CG1-SD 4.44Å; I115-M318 HydrophobicContact CG2-CE 4.16Å; I115-M318 HydrophobicContact CG2-CG 4.04Å; I115-M318 HydrophobicContact CG2-SD 3.27Å; I115-M318 WeakPolarHBondContact CG2-SD 3.44Å
116	N	95.5	Very high	96.5	Very high	67 Å²	67	47.4 Å²	47.4	36%	0.358	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.6	-179.5	-66.8	-3.5	0	0	0	113	N113 W118 K122 G316	N113-N116 PolarHBondContact OD1-ND2 3.37Å; N116-W118 VanDerWaalsContact C-N 3.33Å; N116-K122 WeakPolarHBondContact O-CG 3.44Å; N116-G316 PolarHBondContact OD1-O 3.4Å
117	Y	95.4	Very high	96.6	Very high	107 Å²	107	47.2 Å²	47.2	42%	0.42	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-12.8	177.5	65.4	-93.5	0	0	0	113.9	S114 I115 K122 Y209	S114-Y117 WeakPolarHBondContact O-CE1 3.43Å; I115-Y117 PolarHBondContact O-N 3.49Å; Y117-K122 WeakPolarHBondContact O-CD 3.41Å; Y117-K122 WeakPolarHBondContact O-CE 3.31Å; Y117-K122 PolarHBondContact O-NZ 2.95Å; Y117-Y209 HydrophobicContact CD2-CD2 4.18Å; Y117-Y209 HydrophobicContact CD2-CE2 4.07Å; Y117-Y209 AromaticContact CE2-CD2 3.54Å; Y117-Y209 HydrophobicContact CE2-CD2 3.54Å; Y117-Y209 AromaticContact CE2-CE2 3.84Å; Y117-Y209 HydrophobicContact CE2-CE2 3.84Å; Y117-Y209 HydrophobicContact CE2-CG 4.41Å
118	W	98	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-62.1	134.6	-176.8	-69.7	12.3	0	0	0	111.5	I115 N116 S120 I121 K122 I208 Y209 P211 T258 I260 F340	I115-W118 HydrophobicContact CB-CD2 3.79Å; I115-W118 HydrophobicContact CB-CE3 4.29Å; I115-W118 HydrophobicContact CB-CG 4.08Å; I115-W118 HydrophobicContact CB-CZ2 4.05Å; I115-W118 HydrophobicContact CD1-CZ3 4.48Å; I115-W118 HydrophobicContact CG2-CD2 4.09Å; I115-W118 VanDerWaalsContact CG2-CE2 3.43Å; I115-W118 HydrophobicContact CG2-CH2 4Å; I115-W118 HydrophobicContact CG2-CZ2 3.38Å; I115-W118 VanDerWaalsContact O-CB 3.31Å; I115-W118 WeakPolarHBondContact O-CB 3.48Å; I115-W118 VanDerWaalsContact O-CG 3.27Å; I115-W118 PolarHBondContact O-N 2.78Å; N116-W118 VanDerWaalsContact C-N 3.33Å; W118-S120 PolarHBondContact O-N 2.88Å; W118-I121 HydrophobicContact CB-CB 4.39Å; W118-I121 HydrophobicContact CB-CD1 4.19Å; W118-I121 HydrophobicContact CB-CG1 4.3Å; W118-I121 HydrophobicContact CD2-CD1 4.49Å; W118-I121 HydrophobicContact CE3-CD1 4.17Å; W118-I121 PolarHBondContact O-N 2.83Å; W118-K122 PolarHBondContact O-N 3.5Å; W118-I208 HydrophobicContact CD2-CB 4.32Å; W118-I208 HydrophobicContact CE3-CB 3.75Å; W118-I208 HydrophobicContact CE3-CG2 3.64Å; W118-I208 HydrophobicContact CH2-CB 4.35Å; W118-I208 HydrophobicContact CZ3-CB 3.76Å; W118-I208 HydrophobicContact CZ3-CG2 3.82Å; W118-Y209 AromaticContact CD1-CD2 3.52Å; W118-Y209 HydrophobicContact CG-CD2 4.16Å; W118-Y209 WeakPolarHBondContact CH2-O 3.28Å; W118-Y209 WeakPolarHBondContact CZ2-O 3.27Å; W118-Y209 AromaticContact NE1-CD2 3.67Å; W118-P211 HydrophobicContact CH2-CG 4.18Å; W118-P211 HydrophobicContact CZ2-CG 3.95Å; W118-T258 HydrophobicContact CH2-CG2 3.95Å; W118-T258 HydrophobicContact CZ3-CG2 4.36Å; W118-I260 HydrophobicContact CE3-CD1 3.64Å; W118-I260 HydrophobicContact CZ3-CD1 3.63Å; W118-F340 AromaticContact CH2-CE2 3.79Å; W118-F340 HydrophobicContact CH2-CE2 3.79Å; W118-F340 AromaticContact CH2-CZ 3.78Å; W118-F340 HydrophobicContact CH2-CZ 3.78Å; W118-F340 HydrophobicContact CZ3-CE2 4.49Å; W118-F340 HydrophobicContact CZ3-CZ 4.48Å
119	P	98	Very high	96.5	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.052	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-40.7	173.9	-33.7	39.6	0	0	0	114.1	I121 H125 N127 D207	P119-I121 PolarHBondContact O-N 2.88Å; P119-H125 WeakPolarHBondContact CB-ND1 3.35Å; P119-N127 HydrophobicContact CB-CB 4.1Å; P119-N127 CarbonylContact O-C 3.39Å; P119-D207 WeakPolarHBondContact CD-O 3.35Å
120	S	97.8	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.4	177.7	54.3	0	0	0	0	114.7	W118 N127 Y128 W129 D207 I208	W118-S120 PolarHBondContact O-N 2.88Å; S120-N127 WeakPolarHBondContact CA-O 3.48Å; S120-Y128 VanDerWaalsContact O-CD2 3.27Å; S120-Y128 WeakPolarHBondContact O-CD2 3.44Å; S120-W129 PolarHBondContact O-N 3.25Å; S120-D207 VanDerWaalsContact CB-O 3.26Å; S120-D207 WeakPolarHBondContact CB-O 3.16Å; S120-D207 PolarHBondContact N-O 3.5Å; S120-D207 PolarHBondContact OG-O 3.46Å; S120-I208 WeakPolarHBondContact OG-CG2 3.16Å
121	I	97.1	Very high	96.2	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.046	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-37	-175.6	-67.3	175	0	0	0	111.6	I115 W118 P119 N123 Y128 I260 K315	I115-I121 HydrophobicContact CB-CD1 4.15Å; I115-I121 HydrophobicContact CD1-CD1 3.54Å; I115-I121 HydrophobicContact CG1-CD1 3.71Å; I115-I121 WeakPolarHBondContact O-CD1 2.98Å; W118-I121 HydrophobicContact CB-CB 4.39Å; W118-I121 HydrophobicContact CB-CD1 4.19Å; W118-I121 HydrophobicContact CB-CG1 4.3Å; W118-I121 HydrophobicContact CD2-CD1 4.49Å; W118-I121 HydrophobicContact CE3-CD1 4.17Å; W118-I121 PolarHBondContact O-N 2.83Å; P119-I121 PolarHBondContact O-N 2.88Å; I121-N123 PolarHBondContact O-N 2.89Å; I121-N123 VanDerWaalsContact O-N 3.17Å; I121-Y128 WeakPolarHBondContact O-CD2 3.47Å; I121-Y128 VanDerWaalsContact O-CE2 3.27Å; I121-Y128 WeakPolarHBondContact O-CE2 3.5Å; I121-I260 HydrophobicContact CD1-CD1 4.09Å; I121-I260 HydrophobicContact CG1-CD1 4.26Å; I121-I260 HydrophobicContact CG1-CG2 4.02Å; I121-K315 HydrophobicContact CG2-CG 4.26Å; I121-K315 WeakPolarHBondContact O-CE 3.45Å; I121-K315 PolarHBondContact O-NZ 3.01Å
122	K	95.2	Very high	96	Very high	85 Å²	85	53.6 Å²	53.6	37%	0.37	28%	0.28	S	S	.	.			trans	-65.7	111.6	-179.4	-81.8	178.3	169	151.5	0	111.3	N116 Y117 W118 N124 H125 Y128	N116-K122 WeakPolarHBondContact O-CG 3.44Å; Y117-K122 WeakPolarHBondContact O-CD 3.41Å; Y117-K122 WeakPolarHBondContact O-CE 3.31Å; Y117-K122 PolarHBondContact O-NZ 2.95Å; W118-K122 PolarHBondContact O-N 3.5Å; K122-N124 PolarHBondContact O-N 2.88Å; K122-N124 VanDerWaalsContact O-N 3.1Å; K122-H125 HydrophobicContact CB-CB 3.9Å; K122-H125 WeakPolarHBondContact O-CB 3.26Å; K122-H125 PolarHBondContact O-N 3.32Å; K122-Y128 WeakPolarHBondContact O-CB 3.43Å
123	N	91.8	Very high	96	Very high	123 Å²	123	53 Å²	53	66%	0.658	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.2	-177.5	64.9	-12.4	0	0	0	114.7	I121 Y128	I121-N123 PolarHBondContact O-N 2.89Å; I121-N123 VanDerWaalsContact O-N 3.17Å; N123-Y128 HydrophobicContact CB-CD1 4.27Å; N123-Y128 HydrophobicContact CB-CE1 4.12Å
124	N	92.6	Very high	96	Very high	135 Å²	135	48.9 Å²	48.9	72%	0.722	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	1.4	176.4	65.3	-18.4	0	0	0	113.6	K122	K122-N124 PolarHBondContact O-N 2.88Å; K122-N124 VanDerWaalsContact O-N 3.1Å
125	H	95.5	Very high	95.9	Very high	70 Å²	70	51.4 Å²	51.4	32%	0.324	26%	0.263	S	S	.	.	S	Bend	trans	-88.7	145.7	176.3	-160.9	-85.6	0	0	0	110.8	P119 K122 N127 Y128	P119-H125 WeakPolarHBondContact CB-ND1 3.35Å; K122-H125 HydrophobicContact CB-CB 3.9Å; K122-H125 WeakPolarHBondContact O-CB 3.26Å; K122-H125 PolarHBondContact O-N 3.32Å; H125-N127 WeakPolarHBondContact ND1-CB 3.44Å; H125-N127 PolarHBondContact ND1-N 2.93Å; H125-N127 PolarHBondContact O-N 3.32Å; H125-N127 VanDerWaalsContact O-N 3.14Å; H125-Y128 WeakPolarHBondContact O-CB 3.42Å; H125-Y128 PolarHBondContact O-N 3.45Å; H125-Y128 VanDerWaalsContact O-N 3.12Å
126	S	94.9	Very high	95.9	Very high	98 Å²	98	57.3 Å²	57.3	69%	0.685	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26	176.4	55.1	0	0	0	0	113.2
127	N	95.9	Very high	95.9	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.203	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	21.2	-177.7	-52.1	3.6	0	0	0	112.4	P119 S120 H125 W129 Y133 D207	P119-N127 HydrophobicContact CB-CB 4.1Å; P119-N127 CarbonylContact O-C 3.39Å; S120-N127 WeakPolarHBondContact CA-O 3.48Å; H125-N127 WeakPolarHBondContact ND1-CB 3.44Å; H125-N127 PolarHBondContact ND1-N 2.93Å; H125-N127 PolarHBondContact O-N 3.32Å; H125-N127 VanDerWaalsContact O-N 3.14Å; N127-W129 VanDerWaalsContact O-CD1 3.24Å; N127-W129 PolarHBondContact O-N 2.9Å; N127-Y133 HydrophobicContact CB-CE2 4.27Å; N127-D207 WeakPolarHBondContact CB-OD1 3.29Å; N127-D207 VanDerWaalsContact CG-OD1 3.27Å; N127-D207 PolarHBondContact ND2-OD1 2.79Å
128	Y	96.6	Very high	96	Very high	51 Å²	51	54.1 Å²	54.1	20%	0.2	28%	0.283	C	S	.	.			trans	-63.7	121.3	175.9	179.2	-130	0	0	0	111.2	S120 I121 K122 N123 H125 T130 Y133 K315	S120-Y128 VanDerWaalsContact O-CD2 3.27Å; S120-Y128 WeakPolarHBondContact O-CD2 3.44Å; I121-Y128 WeakPolarHBondContact O-CD2 3.47Å; I121-Y128 VanDerWaalsContact O-CE2 3.27Å; I121-Y128 WeakPolarHBondContact O-CE2 3.5Å; K122-Y128 WeakPolarHBondContact O-CB 3.43Å; N123-Y128 HydrophobicContact CB-CD1 4.27Å; N123-Y128 HydrophobicContact CB-CE1 4.12Å; H125-Y128 WeakPolarHBondContact O-CB 3.42Å; H125-Y128 PolarHBondContact O-N 3.45Å; H125-Y128 VanDerWaalsContact O-N 3.12Å; Y128-T130 HydrophobicContact CD1-CG2 3.56Å; Y128-T130 HydrophobicContact CE1-CG2 3.54Å; Y128-T130 HydrophobicContact CG-CG2 4.44Å; Y128-T130 PolarHBondContact O-N 3.28Å; Y128-T130 VanDerWaalsContact O-N 3.1Å; Y128-Y133 WeakPolarHBondContact O-CB 3.38Å; Y128-K315 VanDerWaalsContact CZ-NZ 3.26Å; Y128-K315 PolarHBondContact OH-NZ 3.23Å
129	W	97.2	Very high	95.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.			trans	-72.4	111.5	-174.8	-76.3	15.2	0	0	0	111.9	S120 N127 Y133 W134 F198 L204 D207 I208 L236 I260 N261 F336 V338	S120-W129 PolarHBondContact O-N 3.25Å; N127-W129 VanDerWaalsContact O-CD1 3.24Å; N127-W129 PolarHBondContact O-N 2.9Å; W129-Y133 AromaticContact CD1-CD1 3.88Å; W129-Y133 AromaticContact CD1-CE1 3.68Å; W129-Y133 AromaticContact NE1-CE1 3.91Å; W129-W134 AromaticContact CD1-NE1 3.99Å; W129-W134 AromaticContact CD2-CZ2 3.92Å; W129-W134 HydrophobicContact CD2-CZ2 3.92Å; W129-W134 AromaticContact CD2-NE1 3.49Å; W129-W134 AromaticContact CE2-CZ2 3.9Å; W129-W134 AromaticContact CE3-CZ2 3.8Å; W129-W134 HydrophobicContact CE3-CZ2 3.8Å; W129-W134 AromaticContact CE3-NE1 3.77Å; W129-W134 AromaticContact CG-NE1 3.53Å; W129-W134 HydrophobicContact CH2-CH2 4.48Å; W129-W134 AromaticContact CH2-CZ2 3.74Å; W129-W134 HydrophobicContact CH2-CZ2 3.74Å; W129-W134 AromaticContact CZ2-CZ2 3.84Å; W129-W134 HydrophobicContact CZ2-CZ2 3.84Å; W129-W134 AromaticContact CZ3-CZ2 3.71Å; W129-W134 HydrophobicContact CZ3-CZ2 3.71Å; W129-F198 HydrophobicContact CH2-CZ 4.37Å; W129-L204 HydrophobicContact CZ2-CD2 3.9Å; W129-D207 HydrophobicContact CZ2-CB 4.33Å; W129-D207 PolarHBondContact NE1-OD2 2.75Å; W129-I208 HydrophobicContact CH2-CG2 4.34Å; W129-I208 HydrophobicContact CZ2-CG2 4.16Å; W129-L236 HydrophobicContact CH2-CD1 3.89Å; W129-L236 HydrophobicContact CZ3-CD1 3.54Å; W129-I260 HydrophobicContact CB-CG2 3.94Å; W129-I260 HydrophobicContact CD2-CG2 3.92Å; W129-I260 HydrophobicContact CE3-CB 4.09Å; W129-I260 HydrophobicContact CE3-CG1 4.14Å; W129-I260 HydrophobicContact CE3-CG2 3.65Å; W129-I260 HydrophobicContact CG-CG2 4.09Å; W129-I260 HydrophobicContact CZ3-CB 4.46Å; W129-I260 HydrophobicContact CZ3-CG1 4.03Å; W129-I260 HydrophobicContact CZ3-CG2 4.37Å; W129-N261 PolarHBondContact O-ND2 2.81Å; W129-F336 HydrophobicContact CE3-CB 3.91Å; W129-F336 AromaticContact CE3-CD1 3.91Å; W129-F336 HydrophobicContact CE3-CD1 3.91Å; W129-F336 HydrophobicContact CE3-CG 4.15Å; W129-F336 HydrophobicContact CZ3-CB 4.35Å; W129-F336 HydrophobicContact CZ3-CD1 4.44Å; W129-V338 HydrophobicContact CH2-CG2 3.81Å; W129-V338 HydrophobicContact CZ3-CG2 3.91Å
130	T	95.3	Very high	95.9	Very high	47 Å²	47	63.3 Å²	63.3	29%	0.288	32%	0.318	S	S	.	.			trans	-133.5	162.3	172.2	62.2	0	0	0	0	109.3	Y128 N132 Y133 W134	Y128-T130 HydrophobicContact CD1-CG2 3.56Å; Y128-T130 HydrophobicContact CE1-CG2 3.54Å; Y128-T130 HydrophobicContact CG-CG2 4.44Å; Y128-T130 PolarHBondContact O-N 3.28Å; Y128-T130 VanDerWaalsContact O-N 3.1Å; T130-N132 PolarHBondContact O-N 2.96Å; T130-Y133 PolarHBondContact O-N 3.02Å; T130-Y133 VanDerWaalsContact O-N 3.16Å; T130-Y133 WeakPolarHBondContact OG1-CB 3.32Å; T130-Y133 PolarHBondContact OG1-N 2.86Å; T130-W134 VanDerWaalsContact O-CD1 3.3Å; T130-W134 PolarHBondContact O-N 3.26Å; T130-W134 VanDerWaalsContact O-N 3.1Å
131	L	95.5	Very high	95.9	Very high	54 Å²	54	67.2 Å²	67.2	28%	0.283	33%	0.333	S	S	.	.	H	α-helix	trans	-53.7	-41	172.8	-64.7	177.6	0	0	0	111.4	W134 K135 I167 F171 F238 F336	L131-W134 PolarHBondContact O-N 3.46Å; L131-K135 VanDerWaalsContact O-CG 3.32Å; L131-K135 WeakPolarHBondContact O-CG 3.35Å; L131-K135 PolarHBondContact O-N 3.33Å; L131-I167 HydrophobicContact CB-CG2 4.44Å; L131-I167 HydrophobicContact CD2-CD1 4.36Å; L131-I167 HydrophobicContact CD2-CG1 4.36Å; L131-I167 HydrophobicContact CD2-CG2 4.3Å; L131-F171 HydrophobicContact CD1-CB 4.43Å; L131-F171 HydrophobicContact CD1-CD1 3.87Å; L131-F171 HydrophobicContact CD1-CG 4.35Å; L131-F171 HydrophobicContact CD2-CD1 3.69Å; L131-F171 HydrophobicContact CD2-CE1 3.65Å; L131-F171 HydrophobicContact CD2-CG 4.27Å; L131-F171 HydrophobicContact CD2-CZ 4.17Å; L131-F171 HydrophobicContact CG-CD1 4.44Å; L131-F238 HydrophobicContact CD2-CE2 3.6Å; L131-F238 HydrophobicContact CD2-CZ 3.6Å; L131-F336 HydrophobicContact CD2-CE2 4.28Å; L131-F336 HydrophobicContact CD2-CZ 3.99Å
132	N	95.1	Very high	95.9	Very high	103 Å²	103	71.4 Å²	71.4	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-65.5	-43	179.2	-169	53.9	0	0	0	112.6	T130 W134 K135 L136	T130-N132 PolarHBondContact O-N 2.96Å; N132-W134 VanDerWaalsContact C-N 3.31Å; N132-W134 PolarHBondContact O-N 2.92Å; N132-K135 PolarHBondContact O-N 2.91Å; N132-L136 WeakPolarHBondContact ND2-CD1 3.5Å; N132-L136 WeakPolarHBondContact O-CB 3.47Å; N132-L136 VanDerWaalsContact O-CG 3.32Å; N132-L136 WeakPolarHBondContact O-CG 3.35Å; N132-L136 PolarHBondContact O-N 3.1Å
133	Y	96.3	Very high	96	Very high	19 Å²	19	67.3 Å²	67.3	8%	0.075	34%	0.337	C	S	.	.	H	α-helix	trans	-56.6	-46.7	175	174.6	-98.1	0	0	0	111.4	N127 Y128 W129 T130 L136 N137 Y138 D207	N127-Y133 HydrophobicContact CB-CE2 4.27Å; Y128-Y133 WeakPolarHBondContact O-CB 3.38Å; W129-Y133 AromaticContact CD1-CD1 3.88Å; W129-Y133 AromaticContact CD1-CE1 3.68Å; W129-Y133 AromaticContact NE1-CE1 3.91Å; T130-Y133 PolarHBondContact O-N 3.02Å; T130-Y133 VanDerWaalsContact O-N 3.16Å; T130-Y133 WeakPolarHBondContact OG1-CB 3.32Å; T130-Y133 PolarHBondContact OG1-N 2.86Å; Y133-L136 PolarHBondContact O-N 3.26Å; Y133-N137 WeakPolarHBondContact CD2-ND2 3.4Å; Y133-N137 VanDerWaalsContact CE2-ND2 3.27Å; Y133-N137 WeakPolarHBondContact CE2-ND2 3.08Å; Y133-N137 WeakPolarHBondContact O-CB 3.32Å; Y133-N137 PolarHBondContact O-N 3.12Å; Y133-N137 PolarHBondContact O-ND2 3.14Å; Y133-Y138 HydrophobicContact CE1-CD2 4.44Å; Y133-Y138 AromaticContact CE1-CE2 3.73Å; Y133-Y138 HydrophobicContact CE1-CE2 3.73Å; Y133-Y138 PolarHBondContact OH-OH 3.07Å; Y133-D207 PolarHBondContact OH-OD2 2.98Å; Y133-D207 VanDerWaalsContact OH-OD2 3.08Å
134	W	97	Very high	96.2	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.4	-43	178.5	-81.3	78.6	0	0	0	112.8	W129 T130 L131 N132 L136 Y138 G139 I163 I167 I197 L204 L236 F336	W129-W134 AromaticContact CD1-NE1 3.99Å; W129-W134 AromaticContact CD2-CZ2 3.92Å; W129-W134 HydrophobicContact CD2-CZ2 3.92Å; W129-W134 AromaticContact CD2-NE1 3.49Å; W129-W134 AromaticContact CE2-CZ2 3.9Å; W129-W134 AromaticContact CE3-CZ2 3.8Å; W129-W134 HydrophobicContact CE3-CZ2 3.8Å; W129-W134 AromaticContact CE3-NE1 3.77Å; W129-W134 AromaticContact CG-NE1 3.53Å; W129-W134 HydrophobicContact CH2-CH2 4.48Å; W129-W134 AromaticContact CH2-CZ2 3.74Å; W129-W134 HydrophobicContact CH2-CZ2 3.74Å; W129-W134 AromaticContact CZ2-CZ2 3.84Å; W129-W134 HydrophobicContact CZ2-CZ2 3.84Å; W129-W134 AromaticContact CZ3-CZ2 3.71Å; W129-W134 HydrophobicContact CZ3-CZ2 3.71Å; T130-W134 VanDerWaalsContact O-CD1 3.3Å; T130-W134 PolarHBondContact O-N 3.26Å; T130-W134 VanDerWaalsContact O-N 3.1Å; L131-W134 PolarHBondContact O-N 3.46Å; N132-W134 VanDerWaalsContact C-N 3.31Å; N132-W134 PolarHBondContact O-N 2.92Å; W134-L136 PolarHBondContact O-N 3.44Å; W134-Y138 HydrophobicContact CD2-CD2 4.46Å; W134-Y138 HydrophobicContact CE3-CD2 4.24Å; W134-Y138 CarbonylContact O-C 3.58Å; W134-Y138 WeakPolarHBondContact O-CA 3.02Å; W134-Y138 PolarHBondContact O-N 3.33Å; W134-G139 PolarHBondContact O-N 3.23Å; W134-I163 HydrophobicContact CB-CG2 4.46Å; W134-I163 HydrophobicContact CE3-CD1 3.87Å; W134-I163 HydrophobicContact CE3-CG2 4.42Å; W134-I163 HydrophobicContact CZ3-CD1 3.94Å; W134-I167 HydrophobicContact CB-CD1 4.21Å; W134-I197 HydrophobicContact CH2-CG1 4.18Å; W134-I197 HydrophobicContact CZ3-CG1 4.24Å; W134-L204 HydrophobicContact CH2-CD1 3.57Å; W134-L204 HydrophobicContact CH2-CD2 4.23Å; W134-L204 HydrophobicContact CZ2-CD1 4.26Å; W134-L204 HydrophobicContact CZ2-CD2 4.17Å; W134-L204 HydrophobicContact CZ3-CD1 4.14Å; W134-L236 HydrophobicContact CH2-CD1 4.28Å; W134-L236 HydrophobicContact CH2-CD2 3.45Å; W134-L236 VanDerWaalsContact CH2-CD2 3.45Å; W134-L236 HydrophobicContact CZ2-CD1 4.28Å; W134-L236 HydrophobicContact CZ2-CD2 4.18Å; W134-L236 HydrophobicContact CZ3-CD2 3.96Å; W134-F336 AromaticContact CD1-CE1 3.42Å; W134-F336 VanDerWaalsContact CD1-CE1 3.42Å; W134-F336 AromaticContact CD1-CZ 3.72Å; W134-F336 AromaticContact CD2-CE1 3.97Å; W134-F336 HydrophobicContact CD2-CE1 3.97Å; W134-F336 AromaticContact CE2-CE1 3.68Å; W134-F336 AromaticContact CG-CE1 3.83Å; W134-F336 HydrophobicContact CG-CE1 3.83Å; W134-F336 HydrophobicContact CG-CZ 4.24Å; W134-F336 HydrophobicContact CZ2-CD1 4.39Å; W134-F336 HydrophobicContact CZ2-CE1 4.41Å; W134-F336 AromaticContact NE1-CD1 3.77Å; W134-F336 AromaticContact NE1-CE1 3.32Å; W134-F336 VanDerWaalsContact NE1-CE1 3.32Å
135	K	96.3	Very high	96.4	Very high	64 Å²	64	56.5 Å²	56.5	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-44	175.9	-74.3	-172.3	69.1	165.4	0	112.5	L131 N132 G139 N164 I167 D168	L131-K135 VanDerWaalsContact O-CG 3.32Å; L131-K135 WeakPolarHBondContact O-CG 3.35Å; L131-K135 PolarHBondContact O-N 3.33Å; N132-K135 PolarHBondContact O-N 2.91Å; K135-G139 WeakPolarHBondContact O-CA 3.39Å; K135-G139 PolarHBondContact O-N 3.28Å; K135-N164 WeakPolarHBondContact CA-OD1 3.4Å; K135-N164 WeakPolarHBondContact CB-OD1 3.48Å; K135-N164 WeakPolarHBondContact CG-OD1 3.34Å; K135-N164 PolarHBondContact O-OD1 3.15Å; K135-I167 HydrophobicContact CD-CB 4.4Å; K135-I167 HydrophobicContact CD-CD1 4.49Å; K135-I167 HydrophobicContact CD-CG2 3.84Å; K135-I167 HydrophobicContact CG-CB 4.29Å; K135-I167 HydrophobicContact CG-CD1 3.59Å; K135-I167 HydrophobicContact CG-CG2 4.11Å; K135-D168 IonicContact NZ-OD1 2.71Å; K135-D168 PolarHBondContact NZ-OD1 2.81Å; K135-D168 IonicContact NZ-OD2 2.61Å; K135-D168 PolarHBondContact NZ-OD2 2.87Å
136	L	96.3	Very high	96.4	Very high	126 Å²	126	54.8 Å²	54.8	66%	0.66	27%	0.273	S	S	*	.	H	α-helix	trans	-73.6	-44.1	-176	-71	173.5	0	0	0	112.8	N132 Y133 W134	N132-L136 WeakPolarHBondContact ND2-CD1 3.5Å; N132-L136 WeakPolarHBondContact O-CB 3.47Å; N132-L136 VanDerWaalsContact O-CG 3.32Å; N132-L136 WeakPolarHBondContact O-CG 3.35Å; N132-L136 PolarHBondContact O-N 3.1Å; Y133-L136 PolarHBondContact O-N 3.26Å; W134-L136 PolarHBondContact O-N 3.44Å
137	N	96.9	Very high	96.2	Very high	88 Å²	88	51.1 Å²	51.1	47%	0.471	25%	0.246	S	C	.	.	H	α-helix	trans	-91.9	-32.3	-172.2	-63.1	-73.9	0	0	0	113.2	Y133	Y133-N137 WeakPolarHBondContact CD2-ND2 3.4Å; Y133-N137 VanDerWaalsContact CE2-ND2 3.27Å; Y133-N137 WeakPolarHBondContact CE2-ND2 3.08Å; Y133-N137 WeakPolarHBondContact O-CB 3.32Å; Y133-N137 PolarHBondContact O-N 3.12Å; Y133-N137 PolarHBondContact O-ND2 3.14Å
138	Y	96.8	Very high	95.7	Very high	19 Å²	19	49.7 Å²	49.7	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-130	4.8	-170.4	-50.9	-59.8	0	0	0	113.7	Y133 W134 Y140 R141 I201 L204	Y133-Y138 HydrophobicContact CE1-CD2 4.44Å; Y133-Y138 AromaticContact CE1-CE2 3.73Å; Y133-Y138 HydrophobicContact CE1-CE2 3.73Å; Y133-Y138 PolarHBondContact OH-OH 3.07Å; W134-Y138 HydrophobicContact CD2-CD2 4.46Å; W134-Y138 HydrophobicContact CE3-CD2 4.24Å; W134-Y138 CarbonylContact O-C 3.58Å; W134-Y138 WeakPolarHBondContact O-CA 3.02Å; W134-Y138 PolarHBondContact O-N 3.33Å; Y138-Y140 PolarHBondContact O-N 2.82Å; Y138-R141 WeakPolarHBondContact O-CB 3.46Å; Y138-R141 WeakPolarHBondContact O-CG 3.38Å; Y138-R141 PolarHBondContact O-N 2.91Å; Y138-I201 HydrophobicContact CD1-CD1 4Å; Y138-I201 HydrophobicContact CD1-CG2 3.45Å; Y138-I201 VanDerWaalsContact CD1-CG2 3.45Å; Y138-I201 HydrophobicContact CE1-CG2 3.26Å; Y138-I201 HydrophobicContact CG-CD1 4.07Å; Y138-I201 HydrophobicContact CG-CG2 4.32Å; Y138-L204 HydrophobicContact CD2-CD2 4.02Å; Y138-L204 HydrophobicContact CE2-CD2 3.32Å; Y138-L204 HydrophobicContact CE2-CG 4.05Å
139	G	96.6	Very high	94.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.3	-171.1	0	0	0	0	0	115.7	W134 K135 T162 I163 N164	W134-G139 PolarHBondContact O-N 3.23Å; K135-G139 WeakPolarHBondContact O-CA 3.39Å; K135-G139 PolarHBondContact O-N 3.28Å; G139-T162 WeakPolarHBondContact O-CB 3.19Å; G139-I163 PolarHBondContact O-N 2.91Å; G139-N164 VanDerWaalsContact CA-CG 3.46Å; G139-N164 WeakPolarHBondContact CA-OD1 2.98Å; G139-N164 WeakPolarHBondContact O-CB 3.42Å; G139-N164 PolarHBondContact O-N 3.29Å
140	Y	97	Very high	93.9	Very high	200 Å²	200	53.2 Å²	53.2	78%	0.784	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.7	179.6	-64.5	-72.1	0	0	0	114.7	Y138	Y138-Y140 PolarHBondContact O-N 2.82Å
141	R	97.2	Very high	93.1	Very high	82 Å²	82	53.6 Å²	53.6	31%	0.309	25%	0.254	S	S	.	.	S	Bend	trans	-69.7	136.1	177.9	-60.4	-64.2	-124.2	-90.3	-1.3	109.8	Y138 T162 I163 Q200 I201 E203	Y138-R141 WeakPolarHBondContact O-CB 3.46Å; Y138-R141 WeakPolarHBondContact O-CG 3.38Å; Y138-R141 PolarHBondContact O-N 2.91Å; R141-T162 CarbonylContact O-C 3.6Å; R141-T162 VanDerWaalsContact O-CA 3.28Å; R141-T162 WeakPolarHBondContact O-CA 3.46Å; R141-I163 HydrophobicContact CB-CD1 4.24Å; R141-I163 PolarHBondContact O-N 3.19Å; R141-Q200 PolarHBondContact NH2-O 3.17Å; R141-I201 HydrophobicContact CB-CD1 4.11Å; R141-I201 HydrophobicContact CG-CD1 3.75Å; R141-I201 HydrophobicContact CG-CG1 4.17Å; R141-E203 IonicContact NH2-OE2 4Å
142	L	97.3	Very high	92	Very high	96 Å²	96	52.3 Å²	52.3	50%	0.503	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.2	178.4	-71.5	175.1	0	0	0	110	M161 T162 Q200	L142-M161 WeakPolarHBondContact CA-O 3.49Å; L142-T162 HydrophobicContact CD2-CG2 3.72Å; L142-Q200 PolarHBondContact O-NE2 2.73Å
143	V	97.3	Very high	91.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.6	-177.9	-67	0	0	0	0	111.1	I145 L160 M161 I163 L192 Y195 I197	V143-I145 HydrophobicContact CG2-CD1 3.67Å; V143-I145 HydrophobicContact CG2-CG1 4.21Å; V143-I145 PolarHBondContact O-N 3.04Å; V143-L160 WeakPolarHBondContact O-CA 3.27Å; V143-M161 PolarHBondContact N-O 3.15Å; V143-M161 PolarHBondContact O-N 2.82Å; V143-M161 VanDerWaalsContact O-N 3.12Å; V143-I163 HydrophobicContact CB-CG1 4.48Å; V143-I163 HydrophobicContact CG1-CD1 3.98Å; V143-I163 HydrophobicContact CG1-CG1 3.8Å; V143-I163 HydrophobicContact CG2-CG1 3.79Å; V143-L192 HydrophobicContact CB-CD1 3.8Å; V143-L192 HydrophobicContact CB-CD2 4.21Å; V143-L192 HydrophobicContact CG1-CD1 4.45Å; V143-L192 HydrophobicContact CG1-CD2 4.21Å; V143-L192 HydrophobicContact CG2-CD1 4.27Å; V143-L192 HydrophobicContact CG2-CD2 4.27Å; V143-Y195 HydrophobicContact CG1-CD1 4.47Å; V143-Y195 HydrophobicContact CG1-CE1 4.13Å; V143-I197 HydrophobicContact CG1-CD1 3.94Å
144	P	97	Very high	90.3	Very high	31 Å²	31	57 Å²	57	20%	0.201	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.6	173.8	31.1	-32	0	0	0	110.1	L160 L192 Y195	P144-L160 HydrophobicContact CB-CD2 4.11Å; P144-L192 WeakPolarHBondContact O-CD1 3.46Å; P144-Y195 HydrophobicContact CG-CD2 3.41Å; P144-Y195 VanDerWaalsContact CG-CD2 3.41Å; P144-Y195 HydrophobicContact CG-CE2 3.64Å; P144-Y195 HydrophobicContact CG-CG 4Å
145	I	96.2	Very high	89.5	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.7	177.4	-57.2	-55.6	0	0	0	109	V143 I147 Q158 K159 M161 F166 Y170 L192	V143-I145 HydrophobicContact CG2-CD1 3.67Å; V143-I145 HydrophobicContact CG2-CG1 4.21Å; V143-I145 PolarHBondContact O-N 3.04Å; I145-I147 HydrophobicContact CG2-CG1 4.21Å; I145-Q158 CarbonylContact O-C 3.58Å; I145-Q158 WeakPolarHBondContact O-CA 3.45Å; I145-K159 PolarHBondContact N-O 2.95Å; I145-K159 PolarHBondContact O-N 2.71Å; I145-M161 HydrophobicContact CB-CE 4.08Å; I145-M161 HydrophobicContact CB-CG 4.45Å; I145-M161 HydrophobicContact CB-SD 4.45Å; I145-M161 HydrophobicContact CG1-CE 4.21Å; I145-M161 HydrophobicContact CG1-CG 3.61Å; I145-M161 HydrophobicContact CG1-SD 3.97Å; I145-M161 HydrophobicContact CG2-CE 4.41Å; I145-F166 HydrophobicContact CB-CD2 4.38Å; I145-F166 HydrophobicContact CD1-CB 4.05Å; I145-F166 HydrophobicContact CD1-CD1 3.88Å; I145-F166 HydrophobicContact CD1-CD2 3.47Å; I145-F166 VanDerWaalsContact CD1-CD2 3.47Å; I145-F166 HydrophobicContact CD1-CE1 4.15Å; I145-F166 HydrophobicContact CD1-CE2 3.82Å; I145-F166 HydrophobicContact CD1-CG 3.52Å; I145-F166 HydrophobicContact CD1-CZ 4.13Å; I145-F166 HydrophobicContact CG1-CB 4.11Å; I145-F166 HydrophobicContact CG1-CD2 3.71Å; I145-F166 HydrophobicContact CG1-CE2 4.35Å; I145-F166 HydrophobicContact CG1-CG 3.97Å; I145-F166 HydrophobicContact CG2-CD2 3.72Å; I145-F166 HydrophobicContact CG2-CE2 3.8Å; I145-Y170 HydrophobicContact CG2-CE2 4.18Å; I145-L192 HydrophobicContact CD1-CB 3.71Å; I145-L192 HydrophobicContact CD1-CD1 4.15Å; I145-L192 HydrophobicContact CD1-CG 4.43Å
146	E	95	Very high	89	Confident	34 Å²	34	61.7 Å²	61.7	16%	0.159	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.5	165.1	-63	-164.7	178.1	0	0	110.1	W156 Q158 G190 Y191 A193	E146-W156 HydrophobicContact CB-CZ2 4.19Å; E146-W156 HydrophobicContact CG-CZ2 3.65Å; E146-W156 PolarHBondContact OE2-NE1 2.9Å; E146-W156 VanDerWaalsContact OE2-NE1 3.15Å; E146-Q158 HydrophobicContact CG-CG 4.27Å; E146-G190 CarbonylContact O-C 3.54Å; E146-G190 VanDerWaalsContact O-CA 3.26Å; E146-G190 WeakPolarHBondContact O-CA 3.41Å; E146-Y191 WeakPolarHBondContact CB-O 3.42Å; E146-Y191 PolarHBondContact N-O 3.45Å; E146-Y191 PolarHBondContact O-N 3.25Å; E146-A193 HydrophobicContact CG-CB 4.32Å
147	I	90.8	Very high	88.6	Confident	21 Å²	21	57 Å²	57	11%	0.108	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112.3	-176.1	-55.4	175.7	0	0	0	108.9	I145 W156 G157 K159 M161 Y170 K188 K189	I145-I147 HydrophobicContact CG2-CG1 4.21Å; I147-W156 VanDerWaalsContact O-CA 3.29Å; I147-W156 WeakPolarHBondContact O-CA 3.18Å; I147-G157 PolarHBondContact N-O 3.1Å; I147-G157 PolarHBondContact O-N 2.92Å; I147-G157 VanDerWaalsContact O-N 3.09Å; I147-K159 HydrophobicContact CD1-CB 3.46Å; I147-K159 VanDerWaalsContact CD1-CB 3.46Å; I147-K159 HydrophobicContact CD1-CD 4.08Å; I147-K159 HydrophobicContact CD1-CG 4.4Å; I147-K159 HydrophobicContact CG1-CB 4.47Å; I147-M161 HydrophobicContact CD1-CE 4.2Å; I147-Y170 WeakPolarHBondContact CD1-OH 3.27Å; I147-Y170 WeakPolarHBondContact CG1-OH 3.44Å; I147-Y170 HydrophobicContact CG2-CE1 4.44Å; I147-K188 HydrophobicContact CG2-CB 3.56Å; I147-K188 HydrophobicContact CG2-CD 3.49Å; I147-K188 VanDerWaalsContact CG2-CD 3.49Å; I147-K188 HydrophobicContact CG2-CG 4.18Å; I147-K189 WeakPolarHBondContact CA-O 3.28Å
148	G	85.8	Confident	88.3	Confident	7 Å²	7	58.8 Å²	58.8	7%	0.072	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.1	-177.3	-177.2	0	0	0	0	0	111	K189	G148-K189 PolarHBondContact N-O 3.34Å; G148-K189 WeakPolarHBondContact O-CB 3.35Å; G148-K189 PolarHBondContact O-N 3.42Å
149	Q	77.1	Confident	88.1	Confident	87 Å²	87	63.9 Å²	63.9	41%	0.407	31%	0.307	S	S	.	.	S	Bend	trans	-83	-40.3	169.2	-63.3	-172.8	3.5	0	0	111.1
150	K	78.5	Confident	88.1	Confident	38 Å²	38	69.6 Å²	69.6	17%	0.165	34%	0.337	C	S	.	.			trans	-150.3	154.2	177.1	49.3	-173.4	-175.9	-174.9	0	110.1	T152 D153 P246 D291	K150-T152 WeakPolarHBondContact CD-OG1 3.38Å; K150-T152 WeakPolarHBondContact CG-OG1 3.34Å; K150-T152 PolarHBondContact O-N 3.08Å; K150-D153 WeakPolarHBondContact CE-OD1 2.82Å; K150-D153 HydrophobicContact CG-CB 4.37Å; K150-D153 WeakPolarHBondContact CG-OD1 3.32Å; K150-D153 VanDerWaalsContact CG-OD2 3.27Å; K150-D153 WeakPolarHBondContact CG-OD2 3.36Å; K150-D153 IonicContact NZ-OD1 3.59Å; K150-D153 PolarHBondContact O-N 3.41Å; K150-D153 VanDerWaalsContact O-N 3.15Å; K150-P246 HydrophobicContact CB-CG 3.52Å; K150-P246 HydrophobicContact CD-CG 4.38Å; K150-P246 HydrophobicContact CG-CG 4.44Å; K150-D291 VanDerWaalsContact NZ-CG 3.27Å; K150-D291 IonicContact NZ-OD2 3.77Å; K150-D291 PolarHBondContact NZ-OD2 2.88Å
151	Y	79.1	Confident	88.1	Confident	55 Å²	55	60.9 Å²	60.9	22%	0.216	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.2	179.4	66.5	-102.8	0	0	0	114.5	P246 H248 T287	Y151-P246 HydrophobicContact CD1-CG 4.03Å; Y151-P246 HydrophobicContact CE1-CB 4.08Å; Y151-P246 HydrophobicContact CE1-CG 3.72Å; Y151-H248 WeakPolarHBondContact OH-CB 3.35Å; Y151-T287 HydrophobicContact CE2-CG2 3.79Å; Y151-T287 VanDerWaalsContact OH-CG2 3.31Å; Y151-T287 WeakPolarHBondContact OH-CG2 3.47Å; Y151-T287 PolarHBondContact OH-OG1 2.97Å
152	T	73	Confident	88.1	Confident	27 Å²	27	58.3 Å²	58.3	17%	0.166	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.2	173.5	53	0	0	0	0	113.7	K150 P246 Y280 T287	K150-T152 WeakPolarHBondContact CD-OG1 3.38Å; K150-T152 WeakPolarHBondContact CG-OG1 3.34Å; K150-T152 PolarHBondContact O-N 3.08Å; T152-P246 HydrophobicContact CG2-CB 4.37Å; T152-P246 HydrophobicContact CG2-CG 4.27Å; T152-Y280 HydrophobicContact CG2-CE2 4.26Å; T152-T287 HydrophobicContact CG2-CG2 3.62Å
153	D	80	Confident	88.1	Confident	44 Å²	44	53.8 Å²	53.8	24%	0.235	27%	0.273	C	S	.	.	S	Bend	trans	-86.3	141.2	177.8	-69.7	-25.5	0	0	0	112.4	K150 N155 W156	K150-D153 WeakPolarHBondContact CE-OD1 2.82Å; K150-D153 HydrophobicContact CG-CB 4.37Å; K150-D153 WeakPolarHBondContact CG-OD1 3.32Å; K150-D153 VanDerWaalsContact CG-OD2 3.27Å; K150-D153 WeakPolarHBondContact CG-OD2 3.36Å; K150-D153 IonicContact NZ-OD1 3.59Å; K150-D153 PolarHBondContact O-N 3.41Å; K150-D153 VanDerWaalsContact O-N 3.15Å; D153-N155 VanDerWaalsContact CB-OD1 3.26Å; D153-N155 WeakPolarHBondContact CB-OD1 3.47Å; D153-N155 PolarHBondContact O-N 2.71Å; D153-W156 WeakPolarHBondContact O-CB 3.39Å; D153-W156 PolarHBondContact O-N 3.08Å
154	N	76.2	Confident	88.1	Confident	177 Å²	177	55 Å²	55	95%	0.947	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.2	177.2	-67.1	-13.2	0	0	0	114.5
155	N	78.8	Confident	88	Confident	83 Å²	83	58 Å²	58	44%	0.444	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5	-179.6	68.9	-4.5	0	0	0	113.3	D153 K188	D153-N155 VanDerWaalsContact CB-OD1 3.26Å; D153-N155 WeakPolarHBondContact CB-OD1 3.47Å; D153-N155 PolarHBondContact O-N 2.71Å; N155-K188 PolarHBondContact O-NZ 2.97Å
156	W	86	Confident	88	Confident	79 Å²	79	58 Å²	58	30%	0.299	29%	0.294	S	S	.	.			trans	-71.3	146.8	174.2	-177.4	96.4	0	0	0	110.9	E146 I147 D153 Q158	E146-W156 HydrophobicContact CB-CZ2 4.19Å; E146-W156 HydrophobicContact CG-CZ2 3.65Å; E146-W156 PolarHBondContact OE2-NE1 2.9Å; E146-W156 VanDerWaalsContact OE2-NE1 3.15Å; I147-W156 VanDerWaalsContact O-CA 3.29Å; I147-W156 WeakPolarHBondContact O-CA 3.18Å; D153-W156 WeakPolarHBondContact O-CB 3.39Å; D153-W156 PolarHBondContact O-N 3.08Å; W156-Q158 HydrophobicContact CH2-CG 3.51Å; W156-Q158 HydrophobicContact CZ2-CG 3.73Å; W156-Q158 HydrophobicContact CZ3-CG 4.21Å
157	G	87.8	Confident	88	Confident	28 Å²	28	56.7 Å²	56.7	29%	0.289	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	172.3	169.8	0	0	0	0	0	110.6	I147	I147-G157 PolarHBondContact N-O 3.1Å; I147-G157 PolarHBondContact O-N 2.92Å; I147-G157 VanDerWaalsContact O-N 3.09Å
158	Q	90.7	Very high	88.1	Confident	125 Å²	125	59 Å²	59	58%	0.584	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.8	175.4	-71.1	178.6	-9.4	0	0	110.9	I145 E146 W156	I145-Q158 CarbonylContact O-C 3.58Å; I145-Q158 WeakPolarHBondContact O-CA 3.45Å; E146-Q158 HydrophobicContact CG-CG 4.27Å; W156-Q158 HydrophobicContact CH2-CG 3.51Å; W156-Q158 HydrophobicContact CZ2-CG 3.73Å; W156-Q158 HydrophobicContact CZ3-CG 4.21Å
159	K	93.6	Very high	88.4	Confident	126 Å²	126	65.2 Å²	65.2	55%	0.548	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.5	174.3	-173.7	175.8	177.3	-179.6	0	110.1	I145 I147 M161	I145-K159 PolarHBondContact N-O 2.95Å; I145-K159 PolarHBondContact O-N 2.71Å; I147-K159 HydrophobicContact CD1-CB 3.46Å; I147-K159 VanDerWaalsContact CD1-CB 3.46Å; I147-K159 HydrophobicContact CD1-CD 4.08Å; I147-K159 HydrophobicContact CD1-CG 4.4Å; I147-K159 HydrophobicContact CG1-CB 4.47Å; K159-M161 HydrophobicContact CB-CE 4.12Å; K159-M161 HydrophobicContact CD-CE 3.94Å; K159-M161 HydrophobicContact CG-CE 4.1Å
160	L	96.1	Very high	89.1	Confident	121 Å²	121	61.8 Å²	61.8	63%	0.634	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.9	168.1	-69.7	171.7	0	0	0	109.9	V143 P144	V143-L160 WeakPolarHBondContact O-CA 3.27Å; P144-L160 HydrophobicContact CB-CD2 4.11Å
161	M	96.7	Very high	89.6	Confident	18 Å²	18	60.2 Å²	60.2	9%	0.089	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	166.2	171.1	64	-175.1	76.5	0	0	110.9	L142 V143 I145 I147 K159 N165 F166 Y170	L142-M161 WeakPolarHBondContact CA-O 3.49Å; V143-M161 PolarHBondContact N-O 3.15Å; V143-M161 PolarHBondContact O-N 2.82Å; V143-M161 VanDerWaalsContact O-N 3.12Å; I145-M161 HydrophobicContact CB-CE 4.08Å; I145-M161 HydrophobicContact CB-CG 4.45Å; I145-M161 HydrophobicContact CB-SD 4.45Å; I145-M161 HydrophobicContact CG1-CE 4.21Å; I145-M161 HydrophobicContact CG1-CG 3.61Å; I145-M161 HydrophobicContact CG1-SD 3.97Å; I145-M161 HydrophobicContact CG2-CE 4.41Å; I147-M161 HydrophobicContact CD1-CE 4.2Å; K159-M161 HydrophobicContact CB-CE 4.12Å; K159-M161 HydrophobicContact CD-CE 3.94Å; K159-M161 HydrophobicContact CG-CE 4.1Å; M161-N165 HydrophobicContact CB-CB 4.29Å; M161-F166 HydrophobicContact CG-CB 4.11Å; M161-F166 HydrophobicContact SD-CB 3.95Å; M161-Y170 HydrophobicContact CE-CE2 3.77Å; M161-Y170 HydrophobicContact SD-CD2 4.44Å; M161-Y170 HydrophobicContact SD-CE2 3.79Å
162	T	97.7	Very high	89.4	Confident	28 Å²	28	61.3 Å²	61.3	17%	0.172	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	152.3	173.9	61.5	0	0	0	0	110.7	G139 R141 L142 N164 N165 F166	G139-T162 WeakPolarHBondContact O-CB 3.19Å; R141-T162 CarbonylContact O-C 3.6Å; R141-T162 VanDerWaalsContact O-CA 3.28Å; R141-T162 WeakPolarHBondContact O-CA 3.46Å; L142-T162 HydrophobicContact CD2-CG2 3.72Å; T162-N164 PolarHBondContact O-N 3.23Å; T162-N165 PolarHBondContact O-N 3.33Å; T162-N165 VanDerWaalsContact O-N 3.12Å; T162-N165 WeakPolarHBondContact OG1-CB 3.35Å; T162-N165 PolarHBondContact OG1-N 2.73Å; T162-N165 VanDerWaalsContact OG1-N 3.15Å; T162-N165 PolarHBondContact OG1-ND2 2.76Å; T162-F166 PolarHBondContact O-N 3.17Å
163	I	97	Very high	89.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-56.3	-37.2	173.5	-67.8	178.6	0	0	0	111.1	W134 G139 R141 V143 F166 I167 F238	W134-I163 HydrophobicContact CB-CG2 4.46Å; W134-I163 HydrophobicContact CE3-CD1 3.87Å; W134-I163 HydrophobicContact CE3-CG2 4.42Å; W134-I163 HydrophobicContact CZ3-CD1 3.94Å; G139-I163 PolarHBondContact O-N 2.91Å; R141-I163 HydrophobicContact CB-CD1 4.24Å; R141-I163 PolarHBondContact O-N 3.19Å; V143-I163 HydrophobicContact CB-CG1 4.48Å; V143-I163 HydrophobicContact CG1-CD1 3.98Å; V143-I163 HydrophobicContact CG1-CG1 3.8Å; V143-I163 HydrophobicContact CG2-CG1 3.79Å; I163-F166 WeakPolarHBondContact O-CB 3.35Å; I163-F166 PolarHBondContact O-N 3.15Å; I163-I167 HydrophobicContact CG2-CD1 3.67Å; I163-I167 HydrophobicContact CG2-CG1 4.31Å; I163-I167 WeakPolarHBondContact O-CB 3.3Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.22Å; I163-I167 PolarHBondContact O-N 3.01Å; I163-F238 HydrophobicContact CG2-CE1 4.41Å
164	N	96.8	Very high	88.2	Confident	25 Å²	25	60.6 Å²	60.6	13%	0.134	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-50.3	173.9	-83.5	-22.5	0	0	0	112.1	K135 G139 T162 F166 I167 D168	K135-N164 WeakPolarHBondContact CA-OD1 3.4Å; K135-N164 WeakPolarHBondContact CB-OD1 3.48Å; K135-N164 WeakPolarHBondContact CG-OD1 3.34Å; K135-N164 PolarHBondContact O-OD1 3.15Å; G139-N164 VanDerWaalsContact CA-CG 3.46Å; G139-N164 WeakPolarHBondContact CA-OD1 2.98Å; G139-N164 WeakPolarHBondContact O-CB 3.42Å; G139-N164 PolarHBondContact O-N 3.29Å; T162-N164 PolarHBondContact O-N 3.23Å; N164-F166 VanDerWaalsContact C-N 3.29Å; N164-F166 PolarHBondContact O-N 2.99Å; N164-I167 PolarHBondContact O-N 3.1Å; N164-D168 VanDerWaalsContact O-CB 3.32Å; N164-D168 WeakPolarHBondContact O-CB 3.18Å; N164-D168 VanDerWaalsContact O-CG 3.31Å; N164-D168 PolarHBondContact O-N 3.4Å
165	N	95.8	Very high	87.3	Confident	95 Å²	95	56.6 Å²	56.6	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-37.9	178.6	-72.6	-7.3	0	0	0	111.7	M161 T162 Y169	M161-N165 HydrophobicContact CB-CB 4.29Å; T162-N165 PolarHBondContact O-N 3.33Å; T162-N165 VanDerWaalsContact O-N 3.12Å; T162-N165 WeakPolarHBondContact OG1-CB 3.35Å; T162-N165 PolarHBondContact OG1-N 2.73Å; T162-N165 VanDerWaalsContact OG1-N 3.15Å; T162-N165 PolarHBondContact OG1-ND2 2.76Å; N165-Y169 VanDerWaalsContact O-CB 3.22Å; N165-Y169 WeakPolarHBondContact O-CB 3.35Å; N165-Y169 PolarHBondContact O-N 3.01Å; N165-Y169 VanDerWaalsContact O-N 3.07Å
166	F	95.9	Very high	86.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-50.3	174.3	170.4	-124.6	0	0	0	111.5	I145 M161 T162 I163 N164 Y170 F171 L192 F238	I145-F166 HydrophobicContact CB-CD2 4.38Å; I145-F166 HydrophobicContact CD1-CB 4.05Å; I145-F166 HydrophobicContact CD1-CD1 3.88Å; I145-F166 HydrophobicContact CD1-CD2 3.47Å; I145-F166 VanDerWaalsContact CD1-CD2 3.47Å; I145-F166 HydrophobicContact CD1-CE1 4.15Å; I145-F166 HydrophobicContact CD1-CE2 3.82Å; I145-F166 HydrophobicContact CD1-CG 3.52Å; I145-F166 HydrophobicContact CD1-CZ 4.13Å; I145-F166 HydrophobicContact CG1-CB 4.11Å; I145-F166 HydrophobicContact CG1-CD2 3.71Å; I145-F166 HydrophobicContact CG1-CE2 4.35Å; I145-F166 HydrophobicContact CG1-CG 3.97Å; I145-F166 HydrophobicContact CG2-CD2 3.72Å; I145-F166 HydrophobicContact CG2-CE2 3.8Å; M161-F166 HydrophobicContact CG-CB 4.11Å; M161-F166 HydrophobicContact SD-CB 3.95Å; T162-F166 PolarHBondContact O-N 3.17Å; I163-F166 WeakPolarHBondContact O-CB 3.35Å; I163-F166 PolarHBondContact O-N 3.15Å; N164-F166 VanDerWaalsContact C-N 3.29Å; N164-F166 PolarHBondContact O-N 2.99Å; F166-Y170 AromaticContact CD2-CD2 3.58Å; F166-Y170 HydrophobicContact CD2-CD2 3.58Å; F166-Y170 HydrophobicContact CD2-CE2 4.24Å; F166-Y170 HydrophobicContact CD2-CG 4.38Å; F166-Y170 HydrophobicContact CE2-CD2 4.05Å; F166-Y170 HydrophobicContact CE2-CG 4.46Å; F166-Y170 WeakPolarHBondContact O-CD2 3.27Å; F166-Y170 PolarHBondContact O-N 3.12Å; F166-Y170 VanDerWaalsContact O-N 3.08Å; F166-F171 HydrophobicContact CD1-CE2 4.05Å; F166-F171 AromaticContact CE1-CE2 3.51Å; F166-F171 HydrophobicContact CE1-CE2 3.51Å; F166-F171 AromaticContact CE1-CZ 3.98Å; F166-F171 HydrophobicContact CE1-CZ 3.98Å; F166-F171 HydrophobicContact CE2-CE2 4.06Å; F166-F171 AromaticContact CZ-CE2 3.51Å; F166-F171 HydrophobicContact CZ-CE2 3.51Å; F166-F171 HydrophobicContact CZ-CZ 4.01Å; F166-L192 HydrophobicContact CE1-CB 4.12Å; F166-L192 HydrophobicContact CZ-CB 4.31Å; F166-F238 HydrophobicContact CD1-CD1 4.19Å; F166-F238 AromaticContact CD1-CE1 3.91Å; F166-F238 HydrophobicContact CD1-CE1 3.91Å; F166-F238 HydrophobicContact CD1-CZ 4.46Å; F166-F238 AromaticContact CE1-CD1 3.66Å; F166-F238 HydrophobicContact CE1-CD1 3.66Å; F166-F238 HydrophobicContact CE1-CD2 4.43Å; F166-F238 AromaticContact CE1-CE1 3.69Å; F166-F238 HydrophobicContact CE1-CE1 3.69Å; F166-F238 HydrophobicContact CE1-CE2 4.45Å; F166-F238 HydrophobicContact CE1-CG 4.03Å; F166-F238 HydrophobicContact CE1-CZ 4.09Å; F166-F238 WeakPolarHBondContact CZ-O 3.4Å
167	I	95.2	Very high	84.8	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	29%	0.286	C	S	.	.	I	π-helix	trans	-65	-50.6	-179.7	-66.9	170.9	0	0	0	110.8	L131 W134 K135 I163 N164 Y169 F171 F238	L131-I167 HydrophobicContact CB-CG2 4.44Å; L131-I167 HydrophobicContact CD2-CD1 4.36Å; L131-I167 HydrophobicContact CD2-CG1 4.36Å; L131-I167 HydrophobicContact CD2-CG2 4.3Å; W134-I167 HydrophobicContact CB-CD1 4.21Å; K135-I167 HydrophobicContact CD-CB 4.4Å; K135-I167 HydrophobicContact CD-CD1 4.49Å; K135-I167 HydrophobicContact CD-CG2 3.84Å; K135-I167 HydrophobicContact CG-CB 4.29Å; K135-I167 HydrophobicContact CG-CD1 3.59Å; K135-I167 HydrophobicContact CG-CG2 4.11Å; I163-I167 HydrophobicContact CG2-CD1 3.67Å; I163-I167 HydrophobicContact CG2-CG1 4.31Å; I163-I167 WeakPolarHBondContact O-CB 3.3Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.22Å; I163-I167 PolarHBondContact O-N 3.01Å; N164-I167 PolarHBondContact O-N 3.1Å; I167-Y169 VanDerWaalsContact C-N 3.3Å; I167-Y169 PolarHBondContact O-N 3.16Å; I167-F171 HydrophobicContact CB-CD2 4.37Å; I167-F171 HydrophobicContact CG1-CD2 4.37Å; I167-F171 HydrophobicContact CG1-CE2 4.32Å; I167-F171 HydrophobicContact CG2-CD2 4.44Å; I167-F171 WeakPolarHBondContact O-CB 3.47Å; I167-F171 PolarHBondContact O-N 2.75Å; I167-F171 VanDerWaalsContact O-N 3.13Å; I167-F238 HydrophobicContact CD1-CE1 4Å; I167-F238 HydrophobicContact CD1-CZ 3.77Å; I167-F238 HydrophobicContact CG1-CE1 4.03Å; I167-F238 HydrophobicContact CG1-CZ 3.71Å
168	D	93.1	Very high	83.1	Confident	70 Å²	70	58.9 Å²	58.9	37%	0.374	29%	0.293	S	S	.	.	I	π-helix	trans	-64.9	-33.1	-174.2	-72.6	-24.9	0	0	0	113.1	K135 N164 N172	K135-D168 IonicContact NZ-OD1 2.71Å; K135-D168 PolarHBondContact NZ-OD1 2.81Å; K135-D168 IonicContact NZ-OD2 2.61Å; K135-D168 PolarHBondContact NZ-OD2 2.87Å; N164-D168 VanDerWaalsContact O-CB 3.32Å; N164-D168 WeakPolarHBondContact O-CB 3.18Å; N164-D168 VanDerWaalsContact O-CG 3.31Å; N164-D168 PolarHBondContact O-N 3.4Å; D168-N172 WeakPolarHBondContact O-CB 3.45Å; D168-N172 PolarHBondContact O-ND2 3.4Å
169	Y	91.2	Very high	81.3	Confident	137 Å²	137	58.8 Å²	58.8	54%	0.537	30%	0.297	S	S	.	.	I	π-helix	trans	-84.8	-55.4	-179.9	-166.5	-100.6	0	0	0	112.1	N165 I167 Q173	N165-Y169 VanDerWaalsContact O-CB 3.22Å; N165-Y169 WeakPolarHBondContact O-CB 3.35Å; N165-Y169 PolarHBondContact O-N 3.01Å; N165-Y169 VanDerWaalsContact O-N 3.07Å; I167-Y169 VanDerWaalsContact C-N 3.3Å; I167-Y169 PolarHBondContact O-N 3.16Å; Y169-Q173 VanDerWaalsContact CD1-NE2 3.33Å; Y169-Q173 VanDerWaalsContact CE2-NE2 3.26Å; Y169-Q173 WeakPolarHBondContact O-CB 3.41Å; Y169-Q173 WeakPolarHBondContact O-CG 3.42Å; Y169-Q173 PolarHBondContact O-N 3.29Å; Y169-Q173 PolarHBondContact O-NE2 3.06Å
170	Y	91.4	Very high	79.2	Confident	16 Å²	16	57.6 Å²	57.6	6%	0.063	30%	0.296	C	S	.	.	I	π-helix	trans	-87.8	-27.6	-167.1	-64.9	-75	0	0	0	114.4	I145 I147 M161 F166 S174 K188	I145-Y170 HydrophobicContact CG2-CE2 4.18Å; I147-Y170 WeakPolarHBondContact CD1-OH 3.27Å; I147-Y170 WeakPolarHBondContact CG1-OH 3.44Å; I147-Y170 HydrophobicContact CG2-CE1 4.44Å; M161-Y170 HydrophobicContact CE-CE2 3.77Å; M161-Y170 HydrophobicContact SD-CD2 4.44Å; M161-Y170 HydrophobicContact SD-CE2 3.79Å; F166-Y170 AromaticContact CD2-CD2 3.58Å; F166-Y170 HydrophobicContact CD2-CD2 3.58Å; F166-Y170 HydrophobicContact CD2-CE2 4.24Å; F166-Y170 HydrophobicContact CD2-CG 4.38Å; F166-Y170 HydrophobicContact CE2-CD2 4.05Å; F166-Y170 HydrophobicContact CE2-CG 4.46Å; F166-Y170 WeakPolarHBondContact O-CD2 3.27Å; F166-Y170 PolarHBondContact O-N 3.12Å; F166-Y170 VanDerWaalsContact O-N 3.08Å; Y170-S174 PolarHBondContact O-N 3.02Å; Y170-K188 WeakPolarHBondContact CD1-O 3.33Å; Y170-K188 WeakPolarHBondContact CE1-O 3.15Å
171	F	88.8	Confident	76.8	Confident	5 Å²	5	57.2 Å²	57.2	2%	0.022	30%	0.295	C	S	.	.	I	π-helix	trans	-81.4	-39.1	179.4	-69.2	-108.6	0	0	0	110.9	L131 F166 I167 Q173 S174 I175 F238 G239 P240 C334	L131-F171 HydrophobicContact CD1-CB 4.43Å; L131-F171 HydrophobicContact CD1-CD1 3.87Å; L131-F171 HydrophobicContact CD1-CG 4.35Å; L131-F171 HydrophobicContact CD2-CD1 3.69Å; L131-F171 HydrophobicContact CD2-CE1 3.65Å; L131-F171 HydrophobicContact CD2-CG 4.27Å; L131-F171 HydrophobicContact CD2-CZ 4.17Å; L131-F171 HydrophobicContact CG-CD1 4.44Å; F166-F171 HydrophobicContact CD1-CE2 4.05Å; F166-F171 AromaticContact CE1-CE2 3.51Å; F166-F171 HydrophobicContact CE1-CE2 3.51Å; F166-F171 AromaticContact CE1-CZ 3.98Å; F166-F171 HydrophobicContact CE1-CZ 3.98Å; F166-F171 HydrophobicContact CE2-CE2 4.06Å; F166-F171 AromaticContact CZ-CE2 3.51Å; F166-F171 HydrophobicContact CZ-CE2 3.51Å; F166-F171 HydrophobicContact CZ-CZ 4.01Å; I167-F171 HydrophobicContact CB-CD2 4.37Å; I167-F171 HydrophobicContact CG1-CD2 4.37Å; I167-F171 HydrophobicContact CG1-CE2 4.32Å; I167-F171 HydrophobicContact CG2-CD2 4.44Å; I167-F171 WeakPolarHBondContact O-CB 3.47Å; I167-F171 PolarHBondContact O-N 2.75Å; I167-F171 VanDerWaalsContact O-N 3.13Å; F171-Q173 VanDerWaalsContact C-N 3.33Å; F171-Q173 PolarHBondContact O-N 3.22Å; F171-S174 PolarHBondContact O-N 3.22Å; F171-S174 PolarHBondContact O-OG 3.27Å; F171-I175 WeakPolarHBondContact O-CG1 3.36Å; F171-I175 PolarHBondContact O-N 3.12Å; F171-F238 HydrophobicContact CE1-CD2 4.36Å; F171-F238 AromaticContact CE1-CE2 3.61Å; F171-F238 HydrophobicContact CE1-CE2 3.61Å; F171-F238 HydrophobicContact CE1-CZ 4.3Å; F171-F238 AromaticContact CE2-CE2 4Å; F171-F238 HydrophobicContact CE2-CE2 4Å; F171-F238 HydrophobicContact CE2-CZ 4.05Å; F171-F238 AromaticContact CZ-CD2 3.74Å; F171-F238 HydrophobicContact CZ-CD2 3.74Å; F171-F238 AromaticContact CZ-CE2 3.13Å; F171-F238 HydrophobicContact CZ-CE2 3.13Å; F171-F238 AromaticContact CZ-CZ 3.64Å; F171-F238 HydrophobicContact CZ-CZ 3.64Å; F171-G239 VanDerWaalsContact CE1-C 3.48Å; F171-P240 HydrophobicContact CD1-CB 3.98Å; F171-P240 HydrophobicContact CE1-CB 4.07Å; F171-P240 HydrophobicContact CG-CB 4.24Å; F171-P240 HydrophobicContact CZ-CB 4.44Å; F171-C334 HydrophobicContact CD1-CB 4.47Å; F171-C334 HydrophobicContact CE1-CB 4.39Å; F171-C334 WeakPolarHBondContact CE1-SG 3.32Å
172	N	75	Confident	74.4	Confident	77 Å²	77	63.4 Å²	63.4	41%	0.412	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-37.6	174.5	-68.8	-30.4	0	0	0	111.9	D168 S174 I175 I176	D168-N172 WeakPolarHBondContact O-CB 3.45Å; D168-N172 PolarHBondContact O-ND2 3.4Å; N172-S174 VanDerWaalsContact C-N 3.32Å; N172-S174 PolarHBondContact O-N 3.04Å; N172-I175 WeakPolarHBondContact O-CB 3.46Å; N172-I175 PolarHBondContact O-N 3.17Å; N172-I175 VanDerWaalsContact O-N 3.13Å; N172-I176 WeakPolarHBondContact O-CG1 3.28Å; N172-I176 PolarHBondContact O-N 3.41Å
173	Q	70.1	Confident	72.1	Confident	33 Å²	33	66.5 Å²	66.5	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-42.7	172.2	-79.3	168.6	19.3	0	0	112	Y169 F171 I175 I176 D177 I187	Y169-Q173 VanDerWaalsContact CD1-NE2 3.33Å; Y169-Q173 VanDerWaalsContact CE2-NE2 3.26Å; Y169-Q173 WeakPolarHBondContact O-CB 3.41Å; Y169-Q173 WeakPolarHBondContact O-CG 3.42Å; Y169-Q173 PolarHBondContact O-N 3.29Å; Y169-Q173 PolarHBondContact O-NE2 3.06Å; F171-Q173 VanDerWaalsContact C-N 3.33Å; F171-Q173 PolarHBondContact O-N 3.22Å; Q173-I175 PolarHBondContact O-N 3.41Å; Q173-I176 PolarHBondContact O-N 2.97Å; Q173-I176 VanDerWaalsContact O-N 3.12Å; Q173-D177 PolarHBondContact O-N 2.92Å; Q173-I187 HydrophobicContact CB-CG2 4.12Å; Q173-I187 HydrophobicContact CG-CG2 4.38Å
174	S	57.7	Low	69.7	Low	23 Å²	23	71.7 Å²	71.7	16%	0.161	37%	0.366	C	S	.	.	H	α-helix	trans	-63.7	-26	177.3	79	0	0	0	0	113.5	Y170 F171 N172 N178	Y170-S174 PolarHBondContact O-N 3.02Å; F171-S174 PolarHBondContact O-N 3.22Å; F171-S174 PolarHBondContact O-OG 3.27Å; N172-S174 VanDerWaalsContact C-N 3.32Å; N172-S174 PolarHBondContact O-N 3.04Å; S174-N178 PolarHBondContact O-ND2 2.82Å
175	I	58.6	Low	67.6	Low	93 Å²	93	76.8 Å²	76.8	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-75.9	-44.6	173.7	-63.4	167.5	0	0	0	110	F171 N172 Q173 D177 N178 N179	F171-I175 WeakPolarHBondContact O-CG1 3.36Å; F171-I175 PolarHBondContact O-N 3.12Å; N172-I175 WeakPolarHBondContact O-CB 3.46Å; N172-I175 PolarHBondContact O-N 3.17Å; N172-I175 VanDerWaalsContact O-N 3.13Å; Q173-I175 PolarHBondContact O-N 3.41Å; I175-D177 VanDerWaalsContact C-N 3.31Å; I175-D177 PolarHBondContact O-N 2.87Å; I175-N178 PolarHBondContact O-N 3.3Å; I175-N179 PolarHBondContact O-N 2.69Å
176	I	56.5	Low	65.7	Low	90 Å²	90	79.5 Å²	79.5	46%	0.462	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-41.8	177.7	-64.6	165.3	0	0	0	110.5	N172 Q173 N178 N179 N180	N172-I176 WeakPolarHBondContact O-CG1 3.28Å; N172-I176 PolarHBondContact O-N 3.41Å; Q173-I176 PolarHBondContact O-N 2.97Å; Q173-I176 VanDerWaalsContact O-N 3.12Å; I176-N178 VanDerWaalsContact C-N 3.27Å; I176-N178 PolarHBondContact O-N 3Å; I176-N179 PolarHBondContact O-N 2.86Å; I176-N179 VanDerWaalsContact O-N 3.09Å; I176-N180 PolarHBondContact O-N 2.94Å
177	D	55	Low	64.3	Low	65 Å²	65	81.6 Å²	81.6	35%	0.348	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-28.2	178.3	-74.1	-10.2	0	0	0	113.4	Q173 I175 I187	Q173-D177 PolarHBondContact O-N 2.92Å; I175-D177 VanDerWaalsContact C-N 3.31Å; I175-D177 PolarHBondContact O-N 2.87Å; D177-I187 WeakPolarHBondContact OD1-CD1 3.26Å
178	N	52.8	Low	63.6	Low	84 Å²	84	85.7 Å²	85.7	45%	0.449	43%	0.43	S	S	.	.	H	α-helix	trans	-76.9	-27	174.3	-73.5	-55.2	0	0	0	112.5	S174 I175 I176 K241	S174-N178 PolarHBondContact O-ND2 2.82Å; I175-N178 PolarHBondContact O-N 3.3Å; I176-N178 VanDerWaalsContact C-N 3.27Å; I176-N178 PolarHBondContact O-N 3Å; N178-K241 PolarHBondContact OD1-NZ 2.79Å
179	N	52.3	Low	63.2	Low	123 Å²	123	84.9 Å²	84.9	66%	0.658	42%	0.423	S	S	*	.	H	α-helix	trans	-94	-34.4	-176	-71.3	-15.9	0	0	0	112.5	I175 I176	I175-N179 PolarHBondContact O-N 2.69Å; I176-N179 PolarHBondContact O-N 2.86Å; I176-N179 VanDerWaalsContact O-N 3.09Å
180	N	48.5	Very low	63.3	Low	101 Å²	101	78.3 Å²	78.3	54%	0.54	40%	0.397	S	S	.	.			trans	-97.9	98.1	176.4	-73.7	-24.5	0	0	0	108.8	I176 Q182	I176-N180 PolarHBondContact O-N 2.94Å; N180-Q182 PolarHBondContact O-N 2.85Å
181	N	47.3	Very low	63.6	Low	112 Å²	112	78.1 Å²	78.1	60%	0.599	40%	0.397	S	S	*	.			trans	-54.8	18	168.3	-95.4	-0.4	0	0	0	115.2	L26	L26-N181 HydrophobicContact CD1-CB 3.36Å; L26-N181 WeakPolarHBondContact CD1-ND2 3.39Å; L26-N181 WeakPolarHBondContact CD1-O 3.11Å; L26-N181 VanDerWaalsContact CD1-OD1 3.28Å; L26-N181 WeakPolarHBondContact CD1-OD1 3.46Å; L26-N181 HydrophobicContact CD2-CB 4.32Å; L26-N181 VanDerWaalsContact CD2-O 3.32Å; L26-N181 WeakPolarHBondContact CD2-O 3.43Å; L26-N181 HydrophobicContact CG-CB 4.35Å; L26-N181 WeakPolarHBondContact CG-O 3.2Å
182	Q	45.5	Very low	64	Low	149 Å²	149	77.9 Å²	77.9	70%	0.696	40%	0.396	S	S	*	.	S	Bend	trans	-106.1	99.9	166.1	-74.6	-176.7	-10.2	0	0	108.4	N180 N184	N180-Q182 PolarHBondContact O-N 2.85Å; Q182-N184 VanDerWaalsContact C-N 3.27Å; Q182-N184 PolarHBondContact O-N 2.84Å
183	L	49.5	Very low	64.9	Low	93 Å²	93	74.8 Å²	74.8	49%	0.487	38%	0.38	S	S	.	.			trans	-52.9	89	166.5	-84.2	141.3	0	0	0	110	L26 L30 K185	L26-L183 HydrophobicContact CD2-CD1 3.9Å; L26-L183 HydrophobicContact CD2-CG 4.19Å; L30-L183 HydrophobicContact CD1-CD1 4.3Å; L183-K185 HydrophobicContact CB-CG 4.44Å; L183-K185 PolarHBondContact O-N 2.99Å
184	N	47.4	Very low	66.1	Low	108 Å²	108	78.1 Å²	78.1	58%	0.578	40%	0.396	S	S	*	.			trans	-70	84.3	160.4	-93.5	-20.1	0	0	0	106.8	Q182 N186 I187	Q182-N184 VanDerWaalsContact C-N 3.27Å; Q182-N184 PolarHBondContact O-N 2.84Å; N184-N186 PolarHBondContact O-N 2.69Å; N184-I187 HydrophobicContact CB-CD1 3.59Å; N184-I187 HydrophobicContact CB-CG1 3.88Å; N184-I187 PolarHBondContact O-N 2.98Å
185	K	52.5	Low	68	Low	132 Å²	132	79.8 Å²	79.8	57%	0.574	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-10.5	178.3	-77.8	-176.8	175.6	178.7	0	114.2	L183	L183-K185 HydrophobicContact CB-CG 4.44Å; L183-K185 PolarHBondContact O-N 2.99Å
186	N	55.7	Low	69.8	Low	153 Å²	153	78.4 Å²	78.4	82%	0.818	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.2	178.5	-71.8	-9.4	0	0	0	114.5	N184 K188	N184-N186 PolarHBondContact O-N 2.69Å; N186-K188 PolarHBondContact O-N 2.82Å; N186-K188 VanDerWaalsContact O-N 3.15Å
187	I	66.3	Low	71.7	Confident	43 Å²	43	74.1 Å²	74.1	22%	0.221	37%	0.371	C	S	.	.			trans	-74.9	109.7	177.1	-65.5	169	0	0	0	108.5	Q173 D177 N184	Q173-I187 HydrophobicContact CB-CG2 4.12Å; Q173-I187 HydrophobicContact CG-CG2 4.38Å; D177-I187 WeakPolarHBondContact OD1-CD1 3.26Å; N184-I187 HydrophobicContact CB-CD1 3.59Å; N184-I187 HydrophobicContact CB-CG1 3.88Å; N184-I187 PolarHBondContact O-N 2.98Å
188	K	80.1	Confident	73.6	Confident	93 Å²	93	71.1 Å²	71.1	40%	0.404	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-74.4	137.2	175.1	-58.3	-164.3	-179	-165.4	0	108.9	I147 N155 Y170 N186	I147-K188 HydrophobicContact CG2-CB 3.56Å; I147-K188 HydrophobicContact CG2-CD 3.49Å; I147-K188 VanDerWaalsContact CG2-CD 3.49Å; I147-K188 HydrophobicContact CG2-CG 4.18Å; N155-K188 PolarHBondContact O-NZ 2.97Å; Y170-K188 WeakPolarHBondContact CD1-O 3.33Å; Y170-K188 WeakPolarHBondContact CE1-O 3.15Å; N186-K188 PolarHBondContact O-N 2.82Å; N186-K188 VanDerWaalsContact O-N 3.15Å
189	K	85.8	Confident	75.6	Confident	52 Å²	52	71.1 Å²	71.1	23%	0.226	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	146.4	171.9	-60	172.3	-176.2	161.8	0	108.8	I147 G148 N242	I147-K189 WeakPolarHBondContact CA-O 3.28Å; G148-K189 PolarHBondContact N-O 3.34Å; G148-K189 WeakPolarHBondContact O-CB 3.35Å; G148-K189 PolarHBondContact O-N 3.42Å; K189-N242 VanDerWaalsContact CD-O 3.32Å; K189-N242 WeakPolarHBondContact CD-O 3.44Å; K189-N242 WeakPolarHBondContact CE-O 3.49Å; K189-N242 VanDerWaalsContact NZ-CB 3.33Å; K189-N242 PolarHBondContact NZ-O 3.02Å
190	G	93.1	Very high	77.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.9	170.4	0	0	0	0	0	109.4	E146 P240	E146-G190 CarbonylContact O-C 3.54Å; E146-G190 VanDerWaalsContact O-CA 3.26Å; E146-G190 WeakPolarHBondContact O-CA 3.41Å; G190-P240 WeakPolarHBondContact O-CD 3.4Å
191	Y	96.1	Very high	79.9	Confident	12 Å²	12	63 Å²	63	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	123.1	175	-167.2	-158.7	0	0	0	110.5	E146 A193 W237 F238 T243 K264	E146-Y191 WeakPolarHBondContact CB-O 3.42Å; E146-Y191 PolarHBondContact N-O 3.45Å; E146-Y191 PolarHBondContact O-N 3.25Å; Y191-A193 HydrophobicContact CD1-CB 3.58Å; Y191-A193 HydrophobicContact CD2-CB 4.5Å; Y191-A193 HydrophobicContact CE1-CB 3.75Å; Y191-A193 HydrophobicContact CG-CB 3.98Å; Y191-A193 PolarHBondContact O-N 3.2Å; Y191-W237 HydrophobicContact CE1-CE3 4.08Å; Y191-W237 HydrophobicContact CE2-CB 4.39Å; Y191-W237 AromaticContact CZ-CE3 3.85Å; Y191-F238 WeakPolarHBondContact CD2-O 3.32Å; Y191-T243 HydrophobicContact CD2-CG2 3.92Å; Y191-T243 HydrophobicContact CG-CG2 3.91Å; Y191-K264 PolarHBondContact OH-NZ 3.13Å
192	L	97	Very high	82.2	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	94	165	178.8	58	0	0	0	106.9	V143 P144 I145 F166 Y195 L236 W237 F238	V143-L192 HydrophobicContact CB-CD1 3.8Å; V143-L192 HydrophobicContact CB-CD2 4.21Å; V143-L192 HydrophobicContact CG1-CD1 4.45Å; V143-L192 HydrophobicContact CG1-CD2 4.21Å; V143-L192 HydrophobicContact CG2-CD1 4.27Å; V143-L192 HydrophobicContact CG2-CD2 4.27Å; P144-L192 WeakPolarHBondContact O-CD1 3.46Å; I145-L192 HydrophobicContact CD1-CB 3.71Å; I145-L192 HydrophobicContact CD1-CD1 4.15Å; I145-L192 HydrophobicContact CD1-CG 4.43Å; F166-L192 HydrophobicContact CE1-CB 4.12Å; F166-L192 HydrophobicContact CZ-CB 4.31Å; L192-Y195 HydrophobicContact CD1-CD1 4.05Å; L192-Y195 HydrophobicContact CD1-CG 4.04Å; L192-L236 HydrophobicContact CD2-CD2 3.69Å; L192-L236 HydrophobicContact CG-CD2 4.44Å; L192-W237 CarbonylContact O-C 3.58Å; L192-W237 WeakPolarHBondContact O-CA 3.5Å; L192-F238 HydrophobicContact CB-CB 4.16Å; L192-F238 WeakPolarHBondContact CB-O 3.41Å; L192-F238 HydrophobicContact CD2-CB 4.32Å; L192-F238 HydrophobicContact CD2-CD1 4.19Å; L192-F238 PolarHBondContact N-O 2.92Å; L192-F238 PolarHBondContact O-N 3.31Å
193	A	96	Very high	84.6	Confident	11 Å²	11	58.3 Å²	58.3	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.8	-172.4	0	0	0	0	0	110.4	E146 Y191 Y195 W237	E146-A193 HydrophobicContact CG-CB 4.32Å; Y191-A193 HydrophobicContact CD1-CB 3.58Å; Y191-A193 HydrophobicContact CD2-CB 4.5Å; Y191-A193 HydrophobicContact CE1-CB 3.75Å; Y191-A193 HydrophobicContact CG-CB 3.98Å; Y191-A193 PolarHBondContact O-N 3.2Å; A193-Y195 VanDerWaalsContact C-N 3.25Å; A193-Y195 PolarHBondContact O-N 2.98Å; A193-Y195 VanDerWaalsContact O-N 3.13Å; A193-W237 HydrophobicContact CB-CE3 3.88Å; A193-W237 HydrophobicContact CB-CZ3 3.87Å
194	Q	94.8	Very high	86.9	Confident	104 Å²	104	53.9 Å²	53.9	49%	0.486	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.4	44.8	171	-158.7	-178.2	-37.8	0	0	113.9	L236 W237 W341	Q194-L236 PolarHBondContact N-O 2.97Å; Q194-W237 HydrophobicContact CB-CH2 3.62Å; Q194-W237 HydrophobicContact CB-CZ2 3.94Å; Q194-W237 HydrophobicContact CB-CZ3 4.03Å; Q194-W237 HydrophobicContact CG-CH2 4.09Å; Q194-W237 HydrophobicContact CG-CZ2 4.13Å; Q194-W341 HydrophobicContact CG-CH2 3.82Å; Q194-W341 HydrophobicContact CG-CZ3 4.36Å
195	Y	96.8	Very high	89.1	Confident	57 Å²	57	54.2 Å²	54.2	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.2	-179.6	-171.5	-117	0	0	0	110.7	V143 P144 L192 A193 I197 N235 L236	V143-Y195 HydrophobicContact CG1-CD1 4.47Å; V143-Y195 HydrophobicContact CG1-CE1 4.13Å; P144-Y195 HydrophobicContact CG-CD2 3.41Å; P144-Y195 VanDerWaalsContact CG-CD2 3.41Å; P144-Y195 HydrophobicContact CG-CE2 3.64Å; P144-Y195 HydrophobicContact CG-CG 4Å; L192-Y195 HydrophobicContact CD1-CD1 4.05Å; L192-Y195 HydrophobicContact CD1-CG 4.04Å; A193-Y195 VanDerWaalsContact C-N 3.25Å; A193-Y195 PolarHBondContact O-N 2.98Å; A193-Y195 VanDerWaalsContact O-N 3.13Å; Y195-I197 HydrophobicContact CD1-CB 4.08Å; Y195-I197 HydrophobicContact CD1-CD1 3.77Å; Y195-I197 HydrophobicContact CE1-CD1 3.68Å; Y195-I197 PolarHBondContact O-N 3.31Å; Y195-N235 WeakPolarHBondContact O-CA 3.3Å; Y195-L236 PolarHBondContact N-O 2.87Å; Y195-L236 PolarHBondContact O-N 3.08Å
196	D	95.8	Very high	91.2	Very high	64 Å²	64	53 Å²	53	34%	0.342	27%	0.271	S	S	.	.			trans	-69.9	79.3	168.4	175.5	15.7	0	0	0	109.4	F198 S199	D196-F198 PolarHBondContact O-N 2.82Å; D196-F198 PolarHBondContact OD1-N 3.3Å; D196-S199 PolarHBondContact O-OG 3.41Å; D196-S199 VanDerWaalsContact O-OG 3.14Å; D196-S199 PolarHBondContact OD1-N 3.41Å; D196-S199 VanDerWaalsContact OD1-N 3.11Å; D196-S199 WeakPolarHBondContact OD2-CB 3.33Å; D196-S199 PolarHBondContact OD2-OG 2.83Å
197	I	96.4	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.1	-23.3	179.1	-164.8	62	0	0	0	111.5	W134 V143 Y195 Q200 I201 L204 L236	W134-I197 HydrophobicContact CH2-CG1 4.18Å; W134-I197 HydrophobicContact CZ3-CG1 4.24Å; V143-I197 HydrophobicContact CG1-CD1 3.94Å; Y195-I197 HydrophobicContact CD1-CB 4.08Å; Y195-I197 HydrophobicContact CD1-CD1 3.77Å; Y195-I197 HydrophobicContact CE1-CD1 3.68Å; Y195-I197 PolarHBondContact O-N 3.31Å; I197-Q200 PolarHBondContact O-N 3.13Å; I197-I201 HydrophobicContact CD1-CD1 3.71Å; I197-I201 HydrophobicContact CD1-CG1 4.21Å; I197-I201 HydrophobicContact CG1-CD1 3.96Å; I197-I201 HydrophobicContact CG1-CG1 4.37Å; I197-I201 PolarHBondContact O-N 2.83Å; I197-L204 HydrophobicContact CB-CD1 4.49Å; I197-L204 HydrophobicContact CG1-CD1 3.73Å; I197-L204 HydrophobicContact CG2-CD1 3.95Å; I197-L236 HydrophobicContact CB-CB 3.96Å; I197-L236 HydrophobicContact CB-CD2 3.97Å; I197-L236 HydrophobicContact CG1-CD2 3.99Å; I197-L236 HydrophobicContact CG2-CB 3.58Å; I197-L236 HydrophobicContact CG2-CD2 3.95Å; I197-L236 HydrophobicContact CG2-CG 4.24Å
198	F	95.8	Very high	94.6	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-76.4	-35.6	-171.1	-58.6	-77.9	0	0	0	110.8	W129 D196 Q200 I201 P202 L204 E205 I208 T234 V338	W129-F198 HydrophobicContact CH2-CZ 4.37Å; D196-F198 PolarHBondContact O-N 2.82Å; D196-F198 PolarHBondContact OD1-N 3.3Å; F198-Q200 VanDerWaalsContact C-N 3.26Å; F198-Q200 PolarHBondContact O-N 3.26Å; F198-I201 CarbonylContact O-C 3.54Å; F198-I201 VanDerWaalsContact O-C 3.24Å; F198-I201 PolarHBondContact O-N 3.06Å; F198-P202 WeakPolarHBondContact O-CA 3.12Å; F198-P202 VanDerWaalsContact O-N 3.13Å; F198-L204 HydrophobicContact CD1-CB 3.81Å; F198-L204 HydrophobicContact CE1-CB 3.82Å; F198-E205 HydrophobicContact CB-CG 4.19Å; F198-E205 HydrophobicContact CD1-CG 4.12Å; F198-I208 HydrophobicContact CD1-CD1 4.18Å; F198-I208 HydrophobicContact CE1-CD1 3.28Å; F198-I208 HydrophobicContact CE1-CG1 3.77Å; F198-I208 HydrophobicContact CE2-CD1 3.98Å; F198-I208 HydrophobicContact CZ-CD1 3.18Å; F198-I208 HydrophobicContact CZ-CG1 4.14Å; F198-T234 WeakPolarHBondContact CD2-OG1 3.35Å; F198-V338 HydrophobicContact CE2-CG1 3.84Å; F198-V338 HydrophobicContact CE2-CG2 4.44Å; F198-V338 HydrophobicContact CZ-CG1 3.94Å; F198-V338 HydrophobicContact CZ-CG2 3.92Å
199	S	94.8	Very high	95.4	Very high	84 Å²	84	44.9 Å²	44.9	59%	0.587	23%	0.225	S	C	*	.	H	α-helix	trans	-64.8	-29.7	169.5	62.5	0	0	0	0	113.3	D196	D196-S199 PolarHBondContact O-OG 3.41Å; D196-S199 VanDerWaalsContact O-OG 3.14Å; D196-S199 PolarHBondContact OD1-N 3.41Å; D196-S199 VanDerWaalsContact OD1-N 3.11Å; D196-S199 WeakPolarHBondContact OD2-CB 3.33Å; D196-S199 PolarHBondContact OD2-OG 2.83Å
200	Q	96.1	Very high	95.9	Very high	53 Å²	53	45.5 Å²	45.5	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-81.7	-33.4	175.7	-171.3	-174.7	45.8	0	0	113.2	R141 L142 I197 F198	R141-Q200 PolarHBondContact NH2-O 3.17Å; L142-Q200 PolarHBondContact O-NE2 2.73Å; I197-Q200 PolarHBondContact O-N 3.13Å; F198-Q200 VanDerWaalsContact C-N 3.26Å; F198-Q200 PolarHBondContact O-N 3.26Å
201	I	96	Very high	96.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.			trans	-135	76.2	-174.3	-45.4	179.2	0	0	0	108.8	Y138 R141 I197 F198 E203 L204	Y138-I201 HydrophobicContact CD1-CD1 4Å; Y138-I201 HydrophobicContact CD1-CG2 3.45Å; Y138-I201 VanDerWaalsContact CD1-CG2 3.45Å; Y138-I201 HydrophobicContact CE1-CG2 3.26Å; Y138-I201 HydrophobicContact CG-CD1 4.07Å; Y138-I201 HydrophobicContact CG-CG2 4.32Å; R141-I201 HydrophobicContact CB-CD1 4.11Å; R141-I201 HydrophobicContact CG-CD1 3.75Å; R141-I201 HydrophobicContact CG-CG1 4.17Å; I197-I201 HydrophobicContact CD1-CD1 3.71Å; I197-I201 HydrophobicContact CD1-CG1 4.21Å; I197-I201 HydrophobicContact CG1-CD1 3.96Å; I197-I201 HydrophobicContact CG1-CG1 4.37Å; I197-I201 PolarHBondContact O-N 2.83Å; F198-I201 CarbonylContact O-C 3.54Å; F198-I201 VanDerWaalsContact O-C 3.24Å; F198-I201 PolarHBondContact O-N 3.06Å; I201-E203 WeakPolarHBondContact CG2-OE2 3.5Å; I201-E203 PolarHBondContact O-N 3.07Å; I201-E203 VanDerWaalsContact O-N 3.07Å; I201-L204 HydrophobicContact CB-CD1 3.91Å; I201-L204 HydrophobicContact CB-CG 4.18Å; I201-L204 HydrophobicContact CD1-CD1 4.18Å; I201-L204 HydrophobicContact CG2-CD1 4.05Å; I201-L204 HydrophobicContact CG2-CG 3.85Å; I201-L204 WeakPolarHBondContact O-CB 3.31Å; I201-L204 PolarHBondContact O-N 3.38Å
202	P	95.8	Very high	96	Very high	70 Å²	70	50.2 Å²	50.2	46%	0.455	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-59.8	-23.1	-177.7	-25	35.5	0	0	0	113.2	F198 L204 E205	F198-P202 WeakPolarHBondContact O-CA 3.12Å; F198-P202 VanDerWaalsContact O-N 3.13Å; P202-L204 PolarHBondContact O-N 2.69Å; P202-L204 VanDerWaalsContact O-N 3.17Å; P202-E205 VanDerWaalsContact O-CB 3.3Å; P202-E205 WeakPolarHBondContact O-CB 3.44Å; P202-E205 WeakPolarHBondContact O-CG 3.41Å; P202-E205 PolarHBondContact O-N 3.47Å
203	E	95.7	Very high	96	Very high	92 Å²	92	51 Å²	51	43%	0.43	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.1	177.3	-57.3	93.9	150.1	0	0	112.9	R141 I201 E205 N206	R141-E203 IonicContact NH2-OE2 4Å; I201-E203 WeakPolarHBondContact CG2-OE2 3.5Å; I201-E203 PolarHBondContact O-N 3.07Å; I201-E203 VanDerWaalsContact O-N 3.07Å; E203-E205 PolarHBondContact O-N 2.69Å; E203-N206 WeakPolarHBondContact O-CB 3.39Å; E203-N206 PolarHBondContact O-N 3.14Å; E203-N206 PolarHBondContact O-ND2 3.37Å
204	L	96.2	Very high	95.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-67.6	-18.8	176.2	-72.8	173.8	0	0	0	113.1	W129 W134 Y138 I197 F198 I201 P202 N206 D207	W129-L204 HydrophobicContact CZ2-CD2 3.9Å; W134-L204 HydrophobicContact CH2-CD1 3.57Å; W134-L204 HydrophobicContact CH2-CD2 4.23Å; W134-L204 HydrophobicContact CZ2-CD1 4.26Å; W134-L204 HydrophobicContact CZ2-CD2 4.17Å; W134-L204 HydrophobicContact CZ3-CD1 4.14Å; Y138-L204 HydrophobicContact CD2-CD2 4.02Å; Y138-L204 HydrophobicContact CE2-CD2 3.32Å; Y138-L204 HydrophobicContact CE2-CG 4.05Å; I197-L204 HydrophobicContact CB-CD1 4.49Å; I197-L204 HydrophobicContact CG1-CD1 3.73Å; I197-L204 HydrophobicContact CG2-CD1 3.95Å; F198-L204 HydrophobicContact CD1-CB 3.81Å; F198-L204 HydrophobicContact CE1-CB 3.82Å; I201-L204 HydrophobicContact CB-CD1 3.91Å; I201-L204 HydrophobicContact CB-CG 4.18Å; I201-L204 HydrophobicContact CD1-CD1 4.18Å; I201-L204 HydrophobicContact CG2-CD1 4.05Å; I201-L204 HydrophobicContact CG2-CG 3.85Å; I201-L204 WeakPolarHBondContact O-CB 3.31Å; I201-L204 PolarHBondContact O-N 3.38Å; P202-L204 PolarHBondContact O-N 2.69Å; P202-L204 VanDerWaalsContact O-N 3.17Å; L204-N206 PolarHBondContact O-N 3.11Å; L204-D207 WeakPolarHBondContact O-CB 3.31Å; L204-D207 PolarHBondContact O-N 2.75Å
205	E	94.5	Very high	95.8	Very high	115 Å²	115	52.1 Å²	52.1	54%	0.537	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-66.5	-16.9	174	-62.1	-176.2	164.3	0	0	112.1	F198 P202 E203 D207	F198-E205 HydrophobicContact CB-CG 4.19Å; F198-E205 HydrophobicContact CD1-CG 4.12Å; P202-E205 VanDerWaalsContact O-CB 3.3Å; P202-E205 WeakPolarHBondContact O-CB 3.44Å; P202-E205 WeakPolarHBondContact O-CG 3.41Å; P202-E205 PolarHBondContact O-N 3.47Å; E203-E205 PolarHBondContact O-N 2.69Å; E205-D207 PolarHBondContact O-N 2.68Å
206	N	95.9	Very high	95.6	Very high	107 Å²	107	50.9 Å²	50.9	57%	0.572	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-75.5	-11.1	171.2	-59.5	-64.3	0	0	0	112.7	E203 L204	E203-N206 WeakPolarHBondContact O-CB 3.39Å; E203-N206 PolarHBondContact O-N 3.14Å; E203-N206 PolarHBondContact O-ND2 3.37Å; L204-N206 PolarHBondContact O-N 3.11Å
207	D	97.4	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-19.3	-171.3	-63.8	-7.4	0	0	0	114.4	P119 S120 N127 W129 Y133 L204 E205	P119-D207 WeakPolarHBondContact CD-O 3.35Å; S120-D207 VanDerWaalsContact CB-O 3.26Å; S120-D207 WeakPolarHBondContact CB-O 3.16Å; S120-D207 PolarHBondContact N-O 3.5Å; S120-D207 PolarHBondContact OG-O 3.46Å; N127-D207 WeakPolarHBondContact CB-OD1 3.29Å; N127-D207 VanDerWaalsContact CG-OD1 3.27Å; N127-D207 PolarHBondContact ND2-OD1 2.79Å; W129-D207 HydrophobicContact CZ2-CB 4.33Å; W129-D207 PolarHBondContact NE1-OD2 2.75Å; Y133-D207 PolarHBondContact OH-OD2 2.98Å; Y133-D207 VanDerWaalsContact OH-OD2 3.08Å; L204-D207 WeakPolarHBondContact O-CB 3.31Å; L204-D207 PolarHBondContact O-N 2.75Å; E205-D207 PolarHBondContact O-N 2.68Å
208	I	97	Very high	94.6	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.051	25%	0.248	C	C	.	.			trans	-137	160.4	-176.8	62.9	157.8	0	0	0	108.7	W118 S120 W129 F198 I260 V338 F340	W118-I208 HydrophobicContact CD2-CB 4.32Å; W118-I208 HydrophobicContact CE3-CB 3.75Å; W118-I208 HydrophobicContact CE3-CG2 3.64Å; W118-I208 HydrophobicContact CH2-CB 4.35Å; W118-I208 HydrophobicContact CZ3-CB 3.76Å; W118-I208 HydrophobicContact CZ3-CG2 3.82Å; S120-I208 WeakPolarHBondContact OG-CG2 3.16Å; W129-I208 HydrophobicContact CH2-CG2 4.34Å; W129-I208 HydrophobicContact CZ2-CG2 4.16Å; F198-I208 HydrophobicContact CD1-CD1 4.18Å; F198-I208 HydrophobicContact CE1-CD1 3.28Å; F198-I208 HydrophobicContact CE1-CG1 3.77Å; F198-I208 HydrophobicContact CE2-CD1 3.98Å; F198-I208 HydrophobicContact CZ-CD1 3.18Å; F198-I208 HydrophobicContact CZ-CG1 4.14Å; I208-I260 HydrophobicContact CG2-CD1 4.25Å; I208-V338 HydrophobicContact CD1-CB 4.44Å; I208-V338 HydrophobicContact CD1-CG1 3.82Å; I208-V338 HydrophobicContact CD1-CG2 4.28Å; I208-F340 HydrophobicContact CD1-CZ 4.14Å
209	Y	96.3	Very high	93.5	Very high	108 Å²	108	50.1 Å²	50.1	42%	0.424	26%	0.262	S	S	.	.			trans	-126.8	154.7	174.9	-56.1	-77.8	0	0	0	109.2	Y117 W118 P211	Y117-Y209 HydrophobicContact CD2-CD2 4.18Å; Y117-Y209 HydrophobicContact CD2-CE2 4.07Å; Y117-Y209 AromaticContact CE2-CD2 3.54Å; Y117-Y209 HydrophobicContact CE2-CD2 3.54Å; Y117-Y209 AromaticContact CE2-CE2 3.84Å; Y117-Y209 HydrophobicContact CE2-CE2 3.84Å; Y117-Y209 HydrophobicContact CE2-CG 4.41Å; W118-Y209 AromaticContact CD1-CD2 3.52Å; W118-Y209 HydrophobicContact CG-CD2 4.16Å; W118-Y209 WeakPolarHBondContact CH2-O 3.28Å; W118-Y209 WeakPolarHBondContact CZ2-O 3.27Å; W118-Y209 AromaticContact NE1-CD2 3.67Å; Y209-P211 VanDerWaalsContact O-CD 3.25Å; Y209-P211 WeakPolarHBondContact O-CD 3.36Å
210	I	96.3	Very high	92.1	Very high	66 Å²	66	51.6 Å²	51.6	34%	0.338	27%	0.272	S	S	.	.			trans	-68.3	122.4	168	-64	175.3	0	0	0	107.5	D212 C214 Y215 I232 F340	I210-D212 PolarHBondContact O-N 2.83Å; I210-C214 HydrophobicContact CG2-CB 4.06Å; I210-Y215 HydrophobicContact CG2-CE2 4.03Å; I210-I232 HydrophobicContact CG2-CD1 3.62Å; I210-I232 HydrophobicContact CG2-CG2 4.34Å; I210-F340 HydrophobicContact CB-CE1 4.41Å; I210-F340 HydrophobicContact CG1-CD1 4.32Å; I210-F340 HydrophobicContact CG1-CE1 4.03Å; I210-F340 HydrophobicContact CG2-CD1 4.46Å
211	P	96.9	Very high	90.1	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.026	28%	0.284	C	S	.	.			trans	-62.9	133.6	177	-23.6	35	0	0	0	111.1	W118 Y209 Y213 C214 L256 T258 M318 F340	W118-P211 HydrophobicContact CH2-CG 4.18Å; W118-P211 HydrophobicContact CZ2-CG 3.95Å; Y209-P211 VanDerWaalsContact O-CD 3.25Å; Y209-P211 WeakPolarHBondContact O-CD 3.36Å; P211-Y213 HydrophobicContact CB-CD2 4.25Å; P211-Y213 PolarHBondContact O-N 2.86Å; P211-C214 WeakPolarHBondContact O-CB 3.31Å; P211-C214 PolarHBondContact O-N 2.97Å; P211-C214 PolarHBondContact O-SG 3.24Å; P211-C214 VanDerWaalsContact O-SG 3.35Å; P211-L256 HydrophobicContact CB-CD2 3.7Å; P211-L256 HydrophobicContact CG-CD2 3.49Å; P211-L256 VanDerWaalsContact CG-CD2 3.49Å; P211-T258 HydrophobicContact CG-CG2 4.47Å; P211-M318 HydrophobicContact CB-SD 4.27Å; P211-M318 HydrophobicContact CG-SD 4.03Å; P211-F340 HydrophobicContact CG-CD2 4.21Å; P211-F340 HydrophobicContact CG-CE2 4.14Å; P211-F340 HydrophobicContact CG-CZ 4.47Å
212	D	95	Very high	88	Confident	107 Å²	107	60.9 Å²	60.9	57%	0.572	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-52.7	-28.6	-179.9	-65.1	-27.7	0	0	0	113.1	I96 I210 C214 Y215	I96-D212 HydrophobicContact CD1-CB 4.06Å; I210-D212 PolarHBondContact O-N 2.83Å; D212-C214 PolarHBondContact O-N 2.98Å; D212-Y215 PolarHBondContact O-N 2.87Å; D212-Y215 VanDerWaalsContact O-N 3.12Å
213	Y	96.4	Very high	85.9	Confident	16 Å²	16	60.8 Å²	60.8	6%	0.063	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-56.4	-28.2	174.8	-58.3	-54.8	0	0	0	114.4	P94 I96 F99 I111 S114 P211 Y215 I216 M318	P94-Y213 WeakPolarHBondContact CD-OH 3.46Å; P94-Y213 HydrophobicContact CG-CE1 4.22Å; P94-Y213 WeakPolarHBondContact O-CE1 3.41Å; P94-Y213 PolarHBondContact O-OH 3.04Å; I96-Y213 HydrophobicContact CD1-CD1 3.86Å; I96-Y213 HydrophobicContact CD1-CE1 4.05Å; F99-Y213 HydrophobicContact CB-CD1 3.64Å; F99-Y213 HydrophobicContact CB-CE1 3.78Å; F99-Y213 AromaticContact CD1-CD1 3.72Å; F99-Y213 HydrophobicContact CD1-CD1 3.72Å; F99-Y213 HydrophobicContact CD1-CG 4.25Å; F99-Y213 AromaticContact CD2-CD1 3.57Å; F99-Y213 HydrophobicContact CD2-CD1 3.57Å; F99-Y213 HydrophobicContact CD2-CE1 4.08Å; F99-Y213 AromaticContact CD2-CG 3.92Å; F99-Y213 HydrophobicContact CD2-CG 3.92Å; F99-Y213 HydrophobicContact CE1-CD1 4.28Å; F99-Y213 HydrophobicContact CE1-CG 4.36Å; F99-Y213 WeakPolarHBondContact CE1-O 3.32Å; F99-Y213 HydrophobicContact CE2-CD1 4.16Å; F99-Y213 HydrophobicContact CE2-CG 4.04Å; F99-Y213 AromaticContact CG-CD1 3.33Å; F99-Y213 HydrophobicContact CG-CD1 3.33Å; F99-Y213 AromaticContact CG-CE1 3.93Å; F99-Y213 HydrophobicContact CG-CE1 3.93Å; F99-Y213 HydrophobicContact CG-CG 4.03Å; F99-Y213 HydrophobicContact CZ-CD1 4.48Å; F99-Y213 HydrophobicContact CZ-CG 4.27Å; I111-Y213 HydrophobicContact CD1-CD2 4Å; I111-Y213 HydrophobicContact CD1-CE2 3.97Å; I111-Y213 HydrophobicContact CG2-CE2 4.27Å; S114-Y213 PolarHBondContact OG-OH 2.88Å; P211-Y213 HydrophobicContact CB-CD2 4.25Å; P211-Y213 PolarHBondContact O-N 2.86Å; Y213-Y215 PolarHBondContact O-N 2.97Å; Y213-I216 WeakPolarHBondContact O-CB 3.43Å; Y213-I216 PolarHBondContact O-N 2.96Å; Y213-I216 VanDerWaalsContact O-N 3.14Å; Y213-M318 HydrophobicContact CD2-CE 3.75Å; Y213-M318 HydrophobicContact CE2-CE 3.64Å
214	C	95	Very high	83.8	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.027	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-71	-14.7	-179.7	-54.6	0	0	0	0	112.7	I210 P211 D212 I216 I232 W342	I210-C214 HydrophobicContact CG2-CB 4.06Å; P211-C214 WeakPolarHBondContact O-CB 3.31Å; P211-C214 PolarHBondContact O-N 2.97Å; P211-C214 PolarHBondContact O-SG 3.24Å; P211-C214 VanDerWaalsContact O-SG 3.35Å; D212-C214 PolarHBondContact O-N 2.98Å; C214-I216 VanDerWaalsContact C-N 3.29Å; C214-I232 HydrophobicContact CB-CD1 3.67Å; C214-I232 HydrophobicContact CB-CG1 4.35Å; C214-W342 HydrophobicContact CB-CD2 4.24Å; C214-W342 HydrophobicContact CB-CE3 4.32Å; C214-W342 HydrophobicContact CB-CG 4.43Å
215	Y	92.3	Very high	81.6	Confident	135 Å²	135	62.4 Å²	62.4	53%	0.529	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-86.3	-1	173.9	-60.5	-74.7	0	0	0	112.9	I210 D212 Y213 I232	I210-Y215 HydrophobicContact CG2-CE2 4.03Å; D212-Y215 PolarHBondContact O-N 2.87Å; D212-Y215 VanDerWaalsContact O-N 3.12Å; Y213-Y215 PolarHBondContact O-N 2.97Å; Y215-I232 HydrophobicContact CD1-CD1 4.25Å; Y215-I232 HydrophobicContact CE1-CD1 3.87Å
216	I	92	Very high	79.4	Confident	31 Å²	31	63.6 Å²	63.6	16%	0.159	34%	0.341	C	S	.	.			trans	-93.7	110.8	178.5	-50.8	-53.5	0	0	0	109.5	I96 F99 N100 I103 Y213 C214 W342 L344	I96-I216 HydrophobicContact CD1-CG1 4.4Å; I96-I216 HydrophobicContact CG2-CD1 3.33Å; I96-I216 HydrophobicContact CG2-CG1 3.95Å; F99-I216 HydrophobicContact CD1-CB 4.09Å; F99-I216 HydrophobicContact CD1-CG1 4.13Å; F99-I216 HydrophobicContact CD1-CG2 4.28Å; F99-I216 HydrophobicContact CE1-CB 4.11Å; F99-I216 HydrophobicContact CE1-CG1 4.49Å; N100-I216 HydrophobicContact CB-CG2 3.86Å; I103-I216 HydrophobicContact CD1-CG2 3.92Å; Y213-I216 WeakPolarHBondContact O-CB 3.43Å; Y213-I216 PolarHBondContact O-N 2.96Å; Y213-I216 VanDerWaalsContact O-N 3.14Å; C214-I216 VanDerWaalsContact C-N 3.29Å; I216-W342 PolarHBondContact O-NE1 3.2Å; I216-L344 VanDerWaalsContact O-CD2 3.32Å; I216-L344 WeakPolarHBondContact O-CD2 3.21Å
217	T	88.9	Confident	76.9	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.055	34%	0.339	C	S	.	.			trans	-95.9	-14.5	-178.3	64.2	0	0	0	0	112.7	G219 I224 L344 S345	T217-G219 VanDerWaalsContact C-N 3.25Å; T217-G219 PolarHBondContact O-N 2.9Å; T217-I224 HydrophobicContact CG2-CG2 3.89Å; T217-L344 CarbonylContact O-C 3.59Å; T217-L344 WeakPolarHBondContact O-CA 3.41Å; T217-S345 PolarHBondContact O-N 3.16Å
218	G	82.1	Confident	74.5	Confident	12 Å²	12	70.9 Å²	70.9	12%	0.124	38%	0.38	C	S	.	.	S	Bend	trans	73.9	6.6	177.6	0	0	0	0	0	116	N100 Q104	N100-G218 WeakPolarHBondContact OD1-CA 3.43Å; Q104-G218 PolarHBondContact NE2-O 3.26Å
219	G	73.9	Confident	72.4	Confident	29 Å²	29	76 Å²	76	30%	0.299	41%	0.407	S	S	.	.			trans	-106.4	156.3	168.4	0	0	0	0	0	111.7	T217 D221	T217-G219 VanDerWaalsContact C-N 3.25Å; T217-G219 PolarHBondContact O-N 2.9Å; G219-D221 VanDerWaalsContact C-N 3.26Å
220	S	64.1	Low	70.7	Confident	115 Å²	115	73.5 Å²	73.5	80%	0.804	40%	0.401	S	S	*	.	S	Bend	trans	-80.4	-9.7	165.5	50.1	0	0	0	0	112.8	E222	S220-E222 PolarHBondContact O-N 3.32Å
221	D	55.1	Low	70	Confident	92 Å²	92	74.2 Å²	74.2	49%	0.492	41%	0.409	S	S	.	.			trans	-76.7	107.3	-172.7	-68.9	-13.4	0	0	0	110.6	G219 S223 I224	G219-D221 VanDerWaalsContact C-N 3.26Å; D221-S223 PolarHBondContact O-N 2.97Å; D221-I224 PolarHBondContact O-N 3.09Å
222	E	51.5	Low	69.8	Low	156 Å²	156	75.7 Å²	75.7	73%	0.729	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-54.1	-21.8	170.4	-67.4	-180	161.1	0	0	112.2	S220 I224 N225 D226	S220-E222 PolarHBondContact O-N 3.32Å; E222-I224 PolarHBondContact O-N 3.03Å; E222-I224 VanDerWaalsContact O-N 3.16Å; E222-N225 PolarHBondContact O-N 3Å; E222-D226 PolarHBondContact O-N 3.45Å
223	S	50.9	Low	69.8	Low	69 Å²	69	74.6 Å²	74.6	48%	0.483	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-63.2	-19.5	178.7	68.8	0	0	0	0	114.5	D221 N227	D221-S223 PolarHBondContact O-N 2.97Å; S223-N227 PolarHBondContact O-ND2 2.8Å
224	I	52.9	Low	69.8	Low	26 Å²	26	75.1 Å²	75.1	13%	0.133	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-78.6	-29.1	174.6	-58.9	168.6	0	0	0	110.5	T217 D221 E222 N230	T217-I224 HydrophobicContact CG2-CG2 3.89Å; D221-I224 PolarHBondContact O-N 3.09Å; E222-I224 PolarHBondContact O-N 3.03Å; E222-I224 VanDerWaalsContact O-N 3.16Å; I224-N230 PolarHBondContact O-ND2 3.03Å
225	N	49.3	Very low	69.9	Low	100 Å²	100	75.6 Å²	75.6	54%	0.535	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-26.4	-178.1	-69.8	-17.8	0	0	0	113	E222	E222-N225 PolarHBondContact O-N 3Å
226	D	47.5	Very low	70.2	Confident	140 Å²	140	69.1 Å²	69.1	75%	0.749	39%	0.39	S	S	*	.	S	Bend	trans	-88.8	-11.1	-178.2	-85.3	-13.4	0	0	0	114.9	E222	E222-D226 PolarHBondContact O-N 3.45Å
227	N	44.7	Very low	70.5	Confident	100 Å²	100	68.6 Å²	68.6	54%	0.535	39%	0.386	S	S	.	.	S	Bend	trans	-83.9	124.4	172.1	-73.2	-46.6	0	0	0	108.8	S223 N229 N230	S223-N227 PolarHBondContact O-ND2 2.8Å; N227-N229 PolarHBondContact O-N 2.68Å; N227-N230 PolarHBondContact O-N 3.25Å
228	N	47.1	Very low	70.9	Confident	159 Å²	159	68.2 Å²	68.2	85%	0.85	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	8.8	171	-78.8	-23.5	0	0	0	115.7
229	N	51.6	Low	71.6	Confident	118 Å²	118	67.6 Å²	67.6	63%	0.631	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.4	-178.7	-68.5	-9.5	0	0	0	113.8	N227 T231 N343	N227-N229 PolarHBondContact O-N 2.68Å; N229-T231 PolarHBondContact O-N 3.39Å; N229-N343 PolarHBondContact O-ND2 2.83Å
230	N	60.6	Low	72.5	Confident	55 Å²	55	66.3 Å²	66.3	29%	0.294	36%	0.363	S	S	.	.			trans	-82.2	43.4	174.4	-106.7	9.6	0	0	0	112.5	I224 N227 I232	I224-N230 PolarHBondContact O-ND2 3.03Å; N227-N230 PolarHBondContact O-N 3.25Å; N230-I232 PolarHBondContact O-N 2.57Å
231	T	82.6	Confident	73.7	Confident	81 Å²	81	64.4 Å²	64.4	50%	0.497	34%	0.34	S	S	.	.			trans	-75.3	111.4	177.9	52.3	0	0	0	0	109.8	N229 E233 R253	N229-T231 PolarHBondContact O-N 3.39Å; T231-E233 PolarHBondContact O-N 3.11Å; T231-R253 PolarHBondContact O-NH2 3.34Å
232	I	93.2	Very high	75.3	Confident	35 Å²	35	62.5 Å²	62.5	18%	0.179	33%	0.33	C	S	.	.			trans	-71.1	116	171.7	-60.6	170.1	0	0	0	107.4	I210 C214 Y215 N230 F340 W341 W342	I210-I232 HydrophobicContact CG2-CD1 3.62Å; I210-I232 HydrophobicContact CG2-CG2 4.34Å; C214-I232 HydrophobicContact CB-CD1 3.67Å; C214-I232 HydrophobicContact CB-CG1 4.35Å; Y215-I232 HydrophobicContact CD1-CD1 4.25Å; Y215-I232 HydrophobicContact CE1-CD1 3.87Å; N230-I232 PolarHBondContact O-N 2.57Å; I232-F340 HydrophobicContact CG2-CB 4.12Å; I232-F340 HydrophobicContact CG2-CD1 4.07Å; I232-W341 WeakPolarHBondContact CA-O 3.38Å; I232-W342 HydrophobicContact CG1-CB 4.12Å
233	E	94.6	Very high	77.1	Confident	84 Å²	84	55.2 Å²	55.2	39%	0.393	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.9	177.2	-81.6	170.6	-139.9	0	0	110.2	T231 R253 F340 W341	T231-E233 PolarHBondContact O-N 3.11Å; E233-R253 IonicContact OE1-CZ 2.8Å; E233-R253 IonicContact OE1-NH1 3.86Å; E233-R253 PolarHBondContact OE1-NH1 2.74Å; E233-R253 IonicContact OE1-NH2 2.68Å; E233-R253 IonicContact OE2-NH1 3.67Å; E233-R253 PolarHBondContact OE2-NH1 3.09Å; E233-F340 CarbonylContact O-C 3.58Å; E233-F340 WeakPolarHBondContact O-CA 3.17Å; E233-W341 HydrophobicContact CB-CB 4.29Å; E233-W341 HydrophobicContact CB-CE3 4.39Å; E233-W341 PolarHBondContact N-O 2.74Å; E233-W341 PolarHBondContact O-N 3.27Å
234	T	95.7	Very high	79.1	Confident	27 Å²	27	52.9 Å²	52.9	17%	0.166	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.9	-177.1	53.6	0	0	0	0	110.3	F198 N339 F340	F198-T234 WeakPolarHBondContact CD2-OG1 3.35Å; T234-N339 WeakPolarHBondContact CA-O 3.48Å; T234-F340 HydrophobicContact CG2-CD1 3.44Å; T234-F340 VanDerWaalsContact CG2-CD1 3.44Å; T234-F340 HydrophobicContact CG2-CE1 3.54Å; T234-F340 HydrophobicContact CG2-CG 4.41Å
235	N	97.3	Very high	81.1	Confident	14 Å²	14	52 Å²	52	8%	0.075	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.1	174.4	-47	-90.6	0	0	0	112.1	Y195 V338 N339 W341	Y195-N235 WeakPolarHBondContact O-CA 3.3Å; N235-V338 WeakPolarHBondContact O-CA 3.22Å; N235-N339 WeakPolarHBondContact CB-OD1 3.47Å; N235-N339 PolarHBondContact N-O 3.36Å; N235-N339 VanDerWaalsContact N-O 3.11Å; N235-N339 PolarHBondContact N-OD1 3.11Å; N235-N339 PolarHBondContact ND2-OD1 2.86Å; N235-N339 PolarHBondContact O-N 3.02Å; N235-N339 PolarHBondContact O-OD1 3.35Å; N235-W341 WeakPolarHBondContact ND2-CZ3 3.48Å
236	L	98.1	Very high	83.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	140.7	172.1	-177.3	72.4	0	0	0	111.1	W129 W134 L192 Q194 Y195 I197 F238 V338	W129-L236 HydrophobicContact CH2-CD1 3.89Å; W129-L236 HydrophobicContact CZ3-CD1 3.54Å; W134-L236 HydrophobicContact CH2-CD1 4.28Å; W134-L236 HydrophobicContact CH2-CD2 3.45Å; W134-L236 VanDerWaalsContact CH2-CD2 3.45Å; W134-L236 HydrophobicContact CZ2-CD1 4.28Å; W134-L236 HydrophobicContact CZ2-CD2 4.18Å; W134-L236 HydrophobicContact CZ3-CD2 3.96Å; L192-L236 HydrophobicContact CD2-CD2 3.69Å; L192-L236 HydrophobicContact CG-CD2 4.44Å; Q194-L236 PolarHBondContact N-O 2.97Å; Y195-L236 PolarHBondContact N-O 2.87Å; Y195-L236 PolarHBondContact O-N 3.08Å; I197-L236 HydrophobicContact CB-CB 3.96Å; I197-L236 HydrophobicContact CB-CD2 3.97Å; I197-L236 HydrophobicContact CG1-CD2 3.99Å; I197-L236 HydrophobicContact CG2-CB 3.58Å; I197-L236 HydrophobicContact CG2-CD2 3.95Å; I197-L236 HydrophobicContact CG2-CG 4.24Å; L236-F238 HydrophobicContact CD2-CB 4.07Å; L236-F238 HydrophobicContact CG-CB 4.14Å; L236-V338 HydrophobicContact CD1-CG2 4.14Å
237	W	98.2	Very high	85.6	Confident	20 Å²	20	41 Å²	41	8%	0.076	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	103	171.1	-54	82.3	0	0	0	109	Y191 L192 A193 Q194 F336 S337 N339	Y191-W237 HydrophobicContact CE1-CE3 4.08Å; Y191-W237 HydrophobicContact CE2-CB 4.39Å; Y191-W237 AromaticContact CZ-CE3 3.85Å; L192-W237 CarbonylContact O-C 3.58Å; L192-W237 WeakPolarHBondContact O-CA 3.5Å; A193-W237 HydrophobicContact CB-CE3 3.88Å; A193-W237 HydrophobicContact CB-CZ3 3.87Å; Q194-W237 HydrophobicContact CB-CH2 3.62Å; Q194-W237 HydrophobicContact CB-CZ2 3.94Å; Q194-W237 HydrophobicContact CB-CZ3 4.03Å; Q194-W237 HydrophobicContact CG-CH2 4.09Å; Q194-W237 HydrophobicContact CG-CZ2 4.13Å; W237-F336 CarbonylContact O-C 3.5Å; W237-F336 WeakPolarHBondContact O-CA 3.23Å; W237-S337 PolarHBondContact N-O 3Å; W237-S337 PolarHBondContact O-N 3.31Å; W237-N339 VanDerWaalsContact NE1-CG 3.31Å; W237-N339 PolarHBondContact NE1-OD1 3.11Å
238	F	97.5	Very high	88.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.9	-174.1	172	-151.9	0	0	0	110.7	L131 I163 F166 I167 F171 Y191 L192 L236 F336	L131-F238 HydrophobicContact CD2-CE2 3.6Å; L131-F238 HydrophobicContact CD2-CZ 3.6Å; I163-F238 HydrophobicContact CG2-CE1 4.41Å; F166-F238 HydrophobicContact CD1-CD1 4.19Å; F166-F238 AromaticContact CD1-CE1 3.91Å; F166-F238 HydrophobicContact CD1-CE1 3.91Å; F166-F238 HydrophobicContact CD1-CZ 4.46Å; F166-F238 AromaticContact CE1-CD1 3.66Å; F166-F238 HydrophobicContact CE1-CD1 3.66Å; F166-F238 HydrophobicContact CE1-CD2 4.43Å; F166-F238 AromaticContact CE1-CE1 3.69Å; F166-F238 HydrophobicContact CE1-CE1 3.69Å; F166-F238 HydrophobicContact CE1-CE2 4.45Å; F166-F238 HydrophobicContact CE1-CG 4.03Å; F166-F238 HydrophobicContact CE1-CZ 4.09Å; F166-F238 WeakPolarHBondContact CZ-O 3.4Å; I167-F238 HydrophobicContact CD1-CE1 4Å; I167-F238 HydrophobicContact CD1-CZ 3.77Å; I167-F238 HydrophobicContact CG1-CE1 4.03Å; I167-F238 HydrophobicContact CG1-CZ 3.71Å; F171-F238 HydrophobicContact CE1-CD2 4.36Å; F171-F238 AromaticContact CE1-CE2 3.61Å; F171-F238 HydrophobicContact CE1-CE2 3.61Å; F171-F238 HydrophobicContact CE1-CZ 4.3Å; F171-F238 AromaticContact CE2-CE2 4Å; F171-F238 HydrophobicContact CE2-CE2 4Å; F171-F238 HydrophobicContact CE2-CZ 4.05Å; F171-F238 AromaticContact CZ-CD2 3.74Å; F171-F238 HydrophobicContact CZ-CD2 3.74Å; F171-F238 AromaticContact CZ-CE2 3.13Å; F171-F238 HydrophobicContact CZ-CE2 3.13Å; F171-F238 AromaticContact CZ-CZ 3.64Å; F171-F238 HydrophobicContact CZ-CZ 3.64Å; Y191-F238 WeakPolarHBondContact CD2-O 3.32Å; L192-F238 HydrophobicContact CB-CB 4.16Å; L192-F238 WeakPolarHBondContact CB-O 3.41Å; L192-F238 HydrophobicContact CD2-CB 4.32Å; L192-F238 HydrophobicContact CD2-CD1 4.19Å; L192-F238 PolarHBondContact N-O 2.92Å; L192-F238 PolarHBondContact O-N 3.31Å; L236-F238 HydrophobicContact CD2-CB 4.07Å; L236-F238 HydrophobicContact CG-CB 4.14Å; F238-F336 HydrophobicContact CB-CD1 4.13Å; F238-F336 HydrophobicContact CB-CE1 4.44Å; F238-F336 HydrophobicContact CD1-CD1 4.37Å; F238-F336 AromaticContact CD1-CE1 3.87Å; F238-F336 HydrophobicContact CD1-CE1 3.87Å; F238-F336 AromaticContact CD2-CD1 3.51Å; F238-F336 HydrophobicContact CD2-CD1 3.51Å; F238-F336 HydrophobicContact CD2-CD2 4.35Å; F238-F336 AromaticContact CD2-CE1 3.24Å; F238-F336 HydrophobicContact CD2-CE1 3.24Å; F238-F336 HydrophobicContact CD2-CE2 4.16Å; F238-F336 HydrophobicContact CD2-CG 4.08Å; F238-F336 AromaticContact CD2-CZ 3.63Å; F238-F336 HydrophobicContact CD2-CZ 3.63Å; F238-F336 AromaticContact CE1-CE1 3.84Å; F238-F336 HydrophobicContact CE1-CE1 3.84Å; F238-F336 HydrophobicContact CE1-CZ 4.31Å; F238-F336 AromaticContact CE2-CD1 3.97Å; F238-F336 HydrophobicContact CE2-CD1 3.97Å; F238-F336 HydrophobicContact CE2-CD2 4.45Å; F238-F336 AromaticContact CE2-CE1 3.23Å; F238-F336 HydrophobicContact CE2-CE1 3.23Å; F238-F336 AromaticContact CE2-CE2 3.82Å; F238-F336 HydrophobicContact CE2-CE2 3.82Å; F238-F336 AromaticContact CE2-CZ 3.16Å; F238-F336 HydrophobicContact CE2-CZ 3.16Å; F238-F336 AromaticContact CG-CD1 3.76Å; F238-F336 HydrophobicContact CG-CD1 3.76Å; F238-F336 AromaticContact CG-CE1 3.6Å; F238-F336 HydrophobicContact CG-CE1 3.6Å; F238-F336 HydrophobicContact CG-CZ 4.39Å; F238-F336 AromaticContact CZ-CE1 3.54Å; F238-F336 HydrophobicContact CZ-CE1 3.54Å; F238-F336 AromaticContact CZ-CZ 3.56Å; F238-F336 HydrophobicContact CZ-CZ 3.56Å
239	G	96.4	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	163.1	-177.6	0	0	0	0	0	115.3	F171 S335	F171-G239 VanDerWaalsContact CE1-C 3.48Å; G239-S335 PolarHBondContact N-O 3.08Å; G239-S335 VanDerWaalsContact N-O 3.1Å; G239-S335 PolarHBondContact O-N 3.02Å
240	P	93.4	Very high	92.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.13	C	C	.	.			trans	-69.1	178.5	174.5	30.8	-36.4	0	0	0	111.7	F171 G190 T243	F171-P240 HydrophobicContact CD1-CB 3.98Å; F171-P240 HydrophobicContact CE1-CB 4.07Å; F171-P240 HydrophobicContact CG-CB 4.24Å; F171-P240 HydrophobicContact CZ-CB 4.44Å; G190-P240 WeakPolarHBondContact O-CD 3.4Å; P240-T243 HydrophobicContact CG-CG2 3.97Å; P240-T243 PolarHBondContact O-OG1 3.37Å
241	K	89.5	Confident	93.5	Very high	75 Å²	75	26.9 Å²	26.9	33%	0.326	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	145.5	169.9	179.1	175.1	177.6	-164.8	0	110.4	N178 T243 L332	N178-K241 PolarHBondContact OD1-NZ 2.79Å; K241-T243 VanDerWaalsContact C-N 3.31Å; K241-T243 PolarHBondContact O-N 2.99Å; K241-L332 VanDerWaalsContact CD-O 3.3Å; K241-L332 WeakPolarHBondContact CD-O 3.38Å; K241-L332 WeakPolarHBondContact CE-O 3.4Å; K241-L332 VanDerWaalsContact CG-O 3.29Å; K241-L332 WeakPolarHBondContact CG-O 3.29Å
242	N	87.8	Confident	94	Very high	52 Å²	52	26 Å²	26	28%	0.278	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	17.3	179	-54.4	-36.8	0	0	0	115.7	K189 S331	K189-N242 VanDerWaalsContact CD-O 3.32Å; K189-N242 WeakPolarHBondContact CD-O 3.44Å; K189-N242 WeakPolarHBondContact CE-O 3.49Å; K189-N242 VanDerWaalsContact NZ-CB 3.33Å; K189-N242 PolarHBondContact NZ-O 3.02Å; N242-S331 WeakPolarHBondContact CA-O 3.37Å; N242-S331 PolarHBondContact N-O 3.41Å
243	T	91.1	Very high	94.1	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.025	13%	0.131	C	C	.	.			trans	-64.7	141.9	161.6	56.1	0	0	0	0	109.9	Y191 P240 K241 R330 S331	Y191-T243 HydrophobicContact CD2-CG2 3.92Å; Y191-T243 HydrophobicContact CG-CG2 3.91Å; P240-T243 HydrophobicContact CG-CG2 3.97Å; P240-T243 PolarHBondContact O-OG1 3.37Å; K241-T243 VanDerWaalsContact C-N 3.31Å; K241-T243 PolarHBondContact O-N 2.99Å; T243-R330 WeakPolarHBondContact O-CA 3.34Å; T243-S331 PolarHBondContact O-N 2.92Å; T243-S331 WeakPolarHBondContact OG1-CB 3.44Å; T243-S331 PolarHBondContact OG1-OG 3.24Å
244	I	91	Very high	94.1	Very high	19 Å²	19	22.3 Å²	22.3	10%	0.097	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.3	-173.4	-66.6	155.7	0	0	0	108.6	P246 D293 Y328 V329 R330	I244-P246 WeakPolarHBondContact O-CD 3.47Å; I244-D293 WeakPolarHBondContact CD1-OD2 3.27Å; I244-Y328 HydrophobicContact CG2-CD2 4.32Å; I244-Y328 HydrophobicContact CG2-CE2 3.54Å; I244-V329 CarbonylContact C-O 3.59Å; I244-V329 WeakPolarHBondContact CA-O 3.34Å; I244-R330 HydrophobicContact CG1-CB 4.27Å; I244-R330 HydrophobicContact CG1-CG 3.95Å
245	S	95.2	Very high	94.2	Very high	8 Å²	8	21.3 Å²	21.3	6%	0.056	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109.8	157.3	-58.1	0	0	0	0	106.9	V329	S245-V329 PolarHBondContact N-O 2.91Å; S245-V329 PolarHBondContact O-N 2.64Å; S245-V329 VanDerWaalsContact O-N 3.09Å
246	P	94.8	Very high	94.3	Very high	7 Å²	7	20.6 Å²	20.6	5%	0.045	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-44.2	161.2	172	-33.7	34.6	0	0	0	114	K150 Y151 T152 I244 H248 T287	K150-P246 HydrophobicContact CB-CG 3.52Å; K150-P246 HydrophobicContact CD-CG 4.38Å; K150-P246 HydrophobicContact CG-CG 4.44Å; Y151-P246 HydrophobicContact CD1-CG 4.03Å; Y151-P246 HydrophobicContact CE1-CB 4.08Å; Y151-P246 HydrophobicContact CE1-CG 3.72Å; T152-P246 HydrophobicContact CG2-CB 4.37Å; T152-P246 HydrophobicContact CG2-CG 4.27Å; I244-P246 WeakPolarHBondContact O-CD 3.47Å; P246-H248 PolarHBondContact O-N 3.48Å; P246-H248 VanDerWaalsContact O-N 3.11Å; P246-H248 PolarHBondContact O-ND1 2.93Å; P246-T287 HydrophobicContact CB-CG2 4.3Å
247	L	96.8	Very high	94.3	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	114.8	178	-179.1	65.4	0	0	0	110.1	Y269 L277 S288 L292 W326 H327	L247-Y269 HydrophobicContact CD1-CD2 4.03Å; L247-Y269 HydrophobicContact CD1-CE2 4.4Å; L247-Y269 HydrophobicContact CD2-CD2 4.18Å; L247-Y269 HydrophobicContact CD2-CE2 4.19Å; L247-L277 HydrophobicContact CD2-CD1 4.45Å; L247-L277 HydrophobicContact CD2-CD2 4.04Å; L247-S288 WeakPolarHBondContact O-CB 3.38Å; L247-S288 PolarHBondContact O-N 3.3Å; L247-L292 HydrophobicContact CB-CD1 4.19Å; L247-L292 HydrophobicContact CD1-CD1 4.41Å; L247-L292 HydrophobicContact CD2-CD1 4.26Å; L247-W326 HydrophobicContact CD1-CB 3.91Å; L247-W326 HydrophobicContact CG-CB 4.42Å; L247-W326 HydrophobicContact CG-CE3 4.15Å; L247-H327 WeakPolarHBondContact CA-O 3.3Å
248	H	97.3	Very high	94.3	Very high	13 Å²	13	20.1 Å²	20.1	6%	0.06	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	174.2	-177.8	67.6	-69.1	0	0	0	111.4	Y151 P246 D250 N286 W326 H327	Y151-H248 WeakPolarHBondContact OH-CB 3.35Å; P246-H248 PolarHBondContact O-N 3.48Å; P246-H248 VanDerWaalsContact O-N 3.11Å; P246-H248 PolarHBondContact O-ND1 2.93Å; H248-D250 IonicContact CD2-OD1 3.65Å; H248-D250 IonicContact NE2-OD1 3.93Å; H248-N286 CarbonylContact C-O 3.58Å; H248-N286 WeakPolarHBondContact CA-O 3.3Å; H248-N286 VanDerWaalsContact CB-O 3.22Å; H248-N286 WeakPolarHBondContact CB-O 3.34Å; H248-W326 CarbonylContact O-C 3.56Å; H248-W326 WeakPolarHBondContact O-CA 3.43Å; H248-H327 AromaticContact CD2-NE2 3.91Å; H248-H327 AromaticContact CE1-CD2 3.65Å; H248-H327 AromaticContact CE1-NE2 3.32Å; H248-H327 PolarHBondContact CE1-NE2 2.8Å; H248-H327 VanDerWaalsContact CE1-NE2 3.32Å; H248-H327 PolarHBondContact N-O 3.14Å; H248-H327 VanDerWaalsContact N-O 3.08Å; H248-H327 PolarHBondContact ND1-O 3.3Å; H248-H327 AromaticContact NE2-CD2 3.99Å; H248-H327 AromaticContact NE2-CE1 3.75Å; H248-H327 AromaticContact NE2-NE2 3.19Å; H248-H327 PolarHBondContact NE2-NE2 2.68Å; H248-H327 VanDerWaalsContact NE2-NE2 3.19Å; H248-H327 PolarHBondContact O-N 3.06Å; H248-H327 PolarHBondContact O-ND1 3.12Å
249	H	96.6	Very high	94.4	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.037	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.2	171	66.6	77.1	0	0	0	113.2	N251 N286 W326 W352	H249-N251 PolarHBondContact ND1-N 3Å; H249-N251 PolarHBondContact O-N 2.79Å; H249-N286 VanDerWaalsContact CE1-CB 3.42Å; H249-N286 WeakPolarHBondContact CE1-CB 3.44Å; H249-N286 PolarHBondContact N-O 2.92Å; H249-N286 VanDerWaalsContact NE2-CA 3.29Å; H249-N286 WeakPolarHBondContact NE2-CA 3.35Å; H249-N286 PolarHBondContact O-ND2 3.02Å; H249-W326 HydrophobicContact CB-CD2 4.37Å; H249-W326 HydrophobicContact CB-CG 4.42Å; H249-W326 AromaticContact CD2-CD2 3.86Å; H249-W326 AromaticContact CD2-CE2 3.47Å; H249-W326 VanDerWaalsContact CD2-CE2 3.47Å; H249-W326 AromaticContact CD2-CH2 3.56Å; H249-W326 AromaticContact CD2-CZ2 3.32Å; H249-W326 WeakPolarHBondContact CD2-CZ2 3.47Å; H249-W326 AromaticContact CD2-CZ3 3.93Å; H249-W326 AromaticContact NE2-CZ2 3.82Å; H249-W352 AromaticContact CD2-CH2 3.94Å; H249-W352 AromaticContact CE1-CH2 3.23Å; H249-W352 WeakPolarHBondContact CE1-CH2 3.33Å; H249-W352 AromaticContact CE1-CZ2 3.69Å; H249-W352 AromaticContact ND1-CH2 3.62Å; H249-W352 AromaticContact NE2-CH2 3.39Å; H249-W352 WeakPolarHBondContact NE2-CH2 3.4Å
250	D	90.3	Very high	94.5	Very high	22 Å²	22	20.1 Å²	20.1	12%	0.118	10%	0.101	C	C	.	.			trans	-95.7	65.4	179	-64	-22.4	0	0	0	110.7	H248 D252 R253 N255 H327 W341	H248-D250 IonicContact CD2-OD1 3.65Å; H248-D250 IonicContact NE2-OD1 3.93Å; D250-D252 PolarHBondContact O-N 2.9Å; D250-R253 PolarHBondContact O-N 3.05Å; D250-N255 PolarHBondContact OD2-ND2 3.43Å; D250-H327 IonicContact OD1-CE1 3.72Å; D250-H327 IonicContact OD1-NE2 3.78Å; D250-H327 IonicContact OD2-CE1 3.7Å; D250-H327 PolarHBondContact OD2-CE1 2.89Å; D250-H327 IonicContact OD2-NE2 2.69Å; D250-W341 HydrophobicContact CB-CZ2 4.45Å; D250-W341 PolarHBondContact OD2-NE1 2.78Å
251	N	86.1	Confident	94.6	Very high	93 Å²	93	21.9 Å²	21.9	50%	0.497	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	29.1	-122	175.9	-65.2	-29.8	0	0	0	115.1	H249 R324	H249-N251 PolarHBondContact ND1-N 3Å; H249-N251 PolarHBondContact O-N 2.79Å; N251-R324 WeakPolarHBondContact O-CA 3.35Å; N251-R324 WeakPolarHBondContact O-CG 3.34Å; N251-R324 PolarHBondContact O-N 2.79Å
252	D	93.1	Very high	94.9	Very high	64 Å²	64	19 Å²	19	34%	0.342	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	15.6	-166.1	-75.2	11.5	0	0	0	113.4	D250 R324 I349	D250-D252 PolarHBondContact O-N 2.9Å; D252-R324 IonicContact OD1-CZ 3.91Å; D252-R324 IonicContact OD1-NE 3Å; D252-R324 PolarHBondContact OD1-NE 3.25Å; D252-R324 IonicContact OD1-NH2 3.61Å; D252-R324 PolarHBondContact OD1-NH2 3.05Å; D252-R324 IonicContact OD2-CZ 3.63Å; D252-R324 IonicContact OD2-NH2 3.41Å; D252-R324 PolarHBondContact OD2-NH2 2.99Å; D252-I349 HydrophobicContact CB-CD1 4.06Å; D252-I349 HydrophobicContact CB-CG2 4.22Å
253	R	94.2	Very high	95.2	Very high	41 Å²	41	17.6 Å²	17.6	16%	0.155	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	147.8	-174.7	-60.4	-171.6	73.4	169.2	6.3	112	T231 E233 D250 P323 W341	T231-R253 PolarHBondContact O-NH2 3.34Å; E233-R253 IonicContact OE1-CZ 2.8Å; E233-R253 IonicContact OE1-NH1 3.86Å; E233-R253 PolarHBondContact OE1-NH1 2.74Å; E233-R253 IonicContact OE1-NH2 2.68Å; E233-R253 IonicContact OE2-NH1 3.67Å; E233-R253 PolarHBondContact OE2-NH1 3.09Å; D250-R253 PolarHBondContact O-N 3.05Å; R253-P323 WeakPolarHBondContact O-CA 3.01Å; R253-W341 HydrophobicContact CB-CB 4.5Å; R253-W341 PolarHBondContact NH2-O 3Å
254	A	96.2	Very high	95.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	149.4	165.3	0	0	0	0	0	109.8	Y320 W341 W342 L344	A254-Y320 HydrophobicContact CB-CE2 3.99Å; A254-W341 VanDerWaalsContact O-CA 3.3Å; A254-W341 WeakPolarHBondContact O-CA 3.18Å; A254-W342 HydrophobicContact CB-CD2 3.83Å; A254-W342 HydrophobicContact CB-CE3 3.96Å; A254-W342 HydrophobicContact CB-CH2 3.7Å; A254-W342 HydrophobicContact CB-CZ2 3.55Å; A254-W342 HydrophobicContact CB-CZ3 3.88Å; A254-W342 PolarHBondContact N-O 3.33Å; A254-W342 PolarHBondContact O-N 2.98Å; A254-W342 VanDerWaalsContact O-N 3.14Å; A254-L344 HydrophobicContact CB-CD1 3.78Å; A254-L344 HydrophobicContact CB-CD2 4.26Å; A254-L344 HydrophobicContact CB-CG 3.78Å
255	N	98.1	Very high	95.6	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.027	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.2	178.7	-172.3	0.1	0	0	0	110.3	D250 I321 N339 F340 W341	D250-N255 PolarHBondContact OD2-ND2 3.43Å; N255-I321 HydrophobicContact CB-CB 4.11Å; N255-I321 PolarHBondContact N-O 3.14Å; N255-I321 PolarHBondContact O-N 3.32Å; N255-N339 PolarHBondContact ND2-ND2 2.85Å; N255-N339 VanDerWaalsContact OD1-CB 3.3Å; N255-N339 WeakPolarHBondContact OD1-CB 3.29Å; N255-N339 PolarHBondContact OD1-ND2 2.78Å; N255-F340 WeakPolarHBondContact CA-O 3.32Å; N255-W341 VanDerWaalsContact CB-CD1 3.4Å; N255-W341 PolarHBondContact ND2-NE1 3.44Å
256	L	98.2	Very high	95.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	99.2	171.6	-157.9	91.9	0	0	0	108.2	I111 P211 T258 M318 L319 N339 F340 W342	I111-L256 HydrophobicContact CD1-CD1 4.26Å; P211-L256 HydrophobicContact CB-CD2 3.7Å; P211-L256 HydrophobicContact CG-CD2 3.49Å; P211-L256 VanDerWaalsContact CG-CD2 3.49Å; L256-T258 HydrophobicContact CD2-CG2 4.12Å; L256-T258 PolarHBondContact O-N 2.91Å; L256-M318 HydrophobicContact CD1-CB 4.47Å; L256-M318 HydrophobicContact CD2-CB 4.15Å; L256-M318 HydrophobicContact CD2-CE 4.02Å; L256-M318 HydrophobicContact CD2-CG 4.3Å; L256-M318 HydrophobicContact CD2-SD 3.36Å; L256-M318 WeakPolarHBondContact CD2-SD 3.36Å; L256-M318 HydrophobicContact CG-CB 4.11Å; L256-M318 HydrophobicContact CG-SD 4.32Å; L256-L319 CarbonylContact C-O 3.6Å; L256-L319 WeakPolarHBondContact CA-O 3.16Å; L256-N339 VanDerWaalsContact O-CA 3.3Å; L256-N339 WeakPolarHBondContact O-CA 3.48Å; L256-F340 HydrophobicContact CB-CB 4.4Å; L256-F340 PolarHBondContact N-O 2.87Å; L256-F340 PolarHBondContact O-N 3.18Å; L256-W342 HydrophobicContact CB-CH2 4.1Å; L256-W342 HydrophobicContact CB-CZ3 3.7Å; L256-W342 HydrophobicContact CD1-CH2 4.36Å
257	L	98.7	Very high	95.7	Very high	9 Å²	9	18.3 Å²	18.3	5%	0.047	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.1	178.5	179.8	66.8	0	0	0	109.7	I266 I313 M318 L319 N339	L257-I266 HydrophobicContact CD2-CD1 4.34Å; L257-I313 HydrophobicContact CD2-CD1 3.66Å; L257-I313 HydrophobicContact CG-CD1 4.08Å; L257-M318 CarbonylContact O-C 3.41Å; L257-M318 WeakPolarHBondContact O-CA 3.25Å; L257-L319 HydrophobicContact CB-CB 4.38Å; L257-L319 PolarHBondContact N-O 3.42Å; L257-L319 PolarHBondContact O-N 2.98Å; L257-N339 HydrophobicContact CD1-CB 3.81Å
258	T	98.6	Very high	95.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.5	178.8	71.6	0	0	0	0	110.8	I115 W118 P211 L256 M318 S337 V338 F340	I115-T258 HydrophobicContact CD1-CG2 4.31Å; W118-T258 HydrophobicContact CH2-CG2 3.95Å; W118-T258 HydrophobicContact CZ3-CG2 4.36Å; P211-T258 HydrophobicContact CG-CG2 4.47Å; L256-T258 HydrophobicContact CD2-CG2 4.12Å; L256-T258 PolarHBondContact O-N 2.91Å; T258-M318 HydrophobicContact CG2-CB 4.28Å; T258-M318 HydrophobicContact CG2-CG 3.67Å; T258-M318 HydrophobicContact CG2-SD 3.73Å; T258-S337 CarbonylContact O-C 3.56Å; T258-S337 WeakPolarHBondContact O-CA 3.33Å; T258-S337 WeakPolarHBondContact O-CB 3.43Å; T258-V338 WeakPolarHBondContact CA-O 3.33Å; T258-V338 WeakPolarHBondContact CB-O 3.33Å; T258-V338 PolarHBondContact N-O 2.83Å; T258-V338 PolarHBondContact O-N 2.76Å; T258-V338 PolarHBondContact OG1-O 2.91Å; T258-F340 HydrophobicContact CG2-CD2 3.97Å; T258-F340 HydrophobicContact CG2-CE2 3.66Å
259	Q	98.4	Very high	95.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	104.2	179.5	-167	65.3	32.8	0	0	110.1	N261 I313 K314 K315 G316 E317 F336 S337	Q259-N261 PolarHBondContact NE2-O 3.11Å; Q259-I313 HydrophobicContact CB-CD1 4.27Å; Q259-I313 HydrophobicContact CB-CG1 4.39Å; Q259-I313 HydrophobicContact CG-CG1 4.45Å; Q259-K314 WeakPolarHBondContact CB-O 3.46Å; Q259-K315 CarbonylContact O-C 3.45Å; Q259-K315 WeakPolarHBondContact O-CA 3.14Å; Q259-G316 PolarHBondContact O-N 3.35Å; Q259-E317 PolarHBondContact N-O 3.19Å; Q259-F336 PolarHBondContact NE2-O 2.9Å; Q259-S337 PolarHBondContact NE2-OG 3.18Å; Q259-S337 PolarHBondContact OE1-OG 3.42Å
260	I	98.2	Very high	95.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-43.6	-177.4	-52.7	-54.4	0	0	0	111.2	W118 I121 W129 I208 K315 F336 V338	W118-I260 HydrophobicContact CE3-CD1 3.64Å; W118-I260 HydrophobicContact CZ3-CD1 3.63Å; I121-I260 HydrophobicContact CD1-CD1 4.09Å; I121-I260 HydrophobicContact CG1-CD1 4.26Å; I121-I260 HydrophobicContact CG1-CG2 4.02Å; W129-I260 HydrophobicContact CB-CG2 3.94Å; W129-I260 HydrophobicContact CD2-CG2 3.92Å; W129-I260 HydrophobicContact CE3-CB 4.09Å; W129-I260 HydrophobicContact CE3-CG1 4.14Å; W129-I260 HydrophobicContact CE3-CG2 3.65Å; W129-I260 HydrophobicContact CG-CG2 4.09Å; W129-I260 HydrophobicContact CZ3-CB 4.46Å; W129-I260 HydrophobicContact CZ3-CG1 4.03Å; W129-I260 HydrophobicContact CZ3-CG2 4.37Å; I208-I260 HydrophobicContact CG2-CD1 4.25Å; I260-K315 WeakPolarHBondContact O-CG 3.38Å; I260-F336 HydrophobicContact CB-CB 4.11Å; I260-F336 PolarHBondContact N-O 3.17Å; I260-V338 HydrophobicContact CD1-CG2 4.48Å; I260-V338 HydrophobicContact CG1-CG2 4.11Å
261	N	96.2	Very high	95.9	Very high	39 Å²	39	17.1 Å²	17.1	21%	0.209	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.3	178.7	-166.9	-8.9	0	0	0	110.2	W129 Q259 S335 F336	W129-N261 PolarHBondContact O-ND2 2.81Å; Q259-N261 PolarHBondContact NE2-O 3.11Å; N261-S335 WeakPolarHBondContact O-CA 3.32Å; N261-F336 HydrophobicContact CB-CB 4.44Å; N261-F336 HydrophobicContact CB-CD2 3.97Å; N261-F336 PolarHBondContact N-O 2.97Å; N261-F336 PolarHBondContact O-N 2.84Å
262	G	95.2	Very high	96.4	Very high	14 Å²	14	15.9 Å²	15.9	14%	0.144	9%	0.087	C	C	.	.	S	Bend	trans	81.5	-164	-176.1	0	0	0	0	0	114.5	K315 T333 C334	G262-K315 PolarHBondContact O-N 2.88Å; G262-K315 VanDerWaalsContact O-N 3.12Å; G262-T333 WeakPolarHBondContact CA-OG1 3.19Å; G262-C334 VanDerWaalsContact CA-O 3.32Å; G262-C334 WeakPolarHBondContact CA-O 3.48Å
263	S	94.7	Very high	96.5	Very high	22 Å²	22	13.6 Å²	13.6	15%	0.154	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.2	177	56	0	0	0	0	112.1	I313 L332 T333	S263-I313 CarbonylContact C-O 3.57Å; S263-I313 WeakPolarHBondContact CA-O 3.37Å; S263-I313 WeakPolarHBondContact CB-O 3.31Å; S263-L332 PolarHBondContact O-N 3.49Å; S263-T333 PolarHBondContact N-OG1 3.43Å
264	K	96.5	Very high	96.6	Very high	1 Å²	1	12.6 Å²	12.6	0%	0.004	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.6	179.2	-70.3	176.6	167.1	179.2	0	110.2	Y191 I266 I312 I313 V329 R330 S331 S335 S337	Y191-K264 PolarHBondContact OH-NZ 3.13Å; K264-I266 HydrophobicContact CB-CD1 4.1Å; K264-I312 CarbonylContact O-C 3.55Å; K264-I312 VanDerWaalsContact O-CA 3.31Å; K264-I312 WeakPolarHBondContact O-CA 3.45Å; K264-I313 HydrophobicContact CB-CD1 4.14Å; K264-I313 HydrophobicContact CB-CG1 3.8Å; K264-I313 HydrophobicContact CD-CD1 4.48Å; K264-I313 PolarHBondContact N-O 2.84Å; K264-I313 PolarHBondContact O-N 3.03Å; K264-V329 HydrophobicContact CB-CG1 4.09Å; K264-V329 HydrophobicContact CD-CG1 3.65Å; K264-V329 HydrophobicContact CG-CG1 4.19Å; K264-R330 CarbonylContact C-O 3.46Å; K264-R330 VanDerWaalsContact CA-O 3.3Å; K264-R330 WeakPolarHBondContact CA-O 3.24Å; K264-S331 WeakPolarHBondContact CE-OG 3.42Å; K264-S335 WeakPolarHBondContact CE-OG 3.45Å; K264-S337 VanDerWaalsContact CE-OG 3.28Å; K264-S337 WeakPolarHBondContact CE-OG 3.43Å; K264-S337 PolarHBondContact NZ-OG 3.04Å
265	L	95	Very high	96.5	Very high	33 Å²	33	18.4 Å²	18.4	17%	0.173	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.7	165.1	170.9	67.1	0	0	0	108.2	I312 V329 R330 L332	L265-I312 HydrophobicContact CD1-CG1 4.4Å; L265-V329 WeakPolarHBondContact O-CA 2.91Å; L265-R330 PolarHBondContact N-O 3.4Å; L265-R330 PolarHBondContact O-N 3.09Å; L265-L332 HydrophobicContact CB-CD1 4.27Å; L265-L332 HydrophobicContact CB-CD2 3.98Å; L265-L332 HydrophobicContact CB-CG 4.18Å
266	I	95.2	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.1	177.3	-44.4	-69.3	0	0	0	109.3	L257 K264 L268 Y310 G311 I313 L319 Y328 V329	L257-I266 HydrophobicContact CD2-CD1 4.34Å; K264-I266 HydrophobicContact CB-CD1 4.1Å; I266-L268 HydrophobicContact CB-CD1 4.29Å; I266-L268 HydrophobicContact CG2-CD1 3.43Å; I266-L268 VanDerWaalsContact CG2-CD1 3.43Å; I266-L268 HydrophobicContact CG2-CD2 4.34Å; I266-L268 HydrophobicContact CG2-CG 3.76Å; I266-Y310 VanDerWaalsContact O-CA 3.31Å; I266-Y310 WeakPolarHBondContact O-CA 3.45Å; I266-G311 PolarHBondContact N-O 3.3Å; I266-G311 PolarHBondContact O-N 3.18Å; I266-I313 HydrophobicContact CD1-CD1 4.03Å; I266-I313 HydrophobicContact CD1-CG1 4.27Å; I266-I313 HydrophobicContact CG1-CD1 4.31Å; I266-I313 HydrophobicContact CG1-CG1 4.17Å; I266-I313 HydrophobicContact CG1-CG2 4.15Å; I266-L319 HydrophobicContact CB-CD2 4.32Å; I266-L319 HydrophobicContact CD1-CD2 4.33Å; I266-L319 HydrophobicContact CG1-CD2 4Å; I266-L319 HydrophobicContact CG2-CD2 3.74Å; I266-Y328 WeakPolarHBondContact CA-O 3.33Å; I266-V329 HydrophobicContact CD1-CB 4.08Å; I266-V329 HydrophobicContact CD1-CG1 3.69Å; I266-V329 HydrophobicContact CD1-CG2 3.67Å
267	I	95.9	Very high	96.3	Very high	19 Å²	19	19 Å²	19	10%	0.097	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.6	167.9	-60.3	172.7	0	0	0	106.9	L85 Y269 L292 Y309 H327 Y328	L85-I267 HydrophobicContact CD1-CG2 4.03Å; L85-I267 HydrophobicContact CD2-CG2 4.12Å; I267-Y269 HydrophobicContact CG2-CD2 4.31Å; I267-Y269 HydrophobicContact CG2-CE2 3.55Å; I267-L292 HydrophobicContact CB-CD1 4.35Å; I267-L292 HydrophobicContact CD1-CD1 4.16Å; I267-L292 HydrophobicContact CG2-CD1 4.27Å; I267-Y309 CarbonylContact C-O 3.6Å; I267-Y309 WeakPolarHBondContact CA-O 3.24Å; I267-H327 CarbonylContact O-C 3.1Å; I267-H327 WeakPolarHBondContact O-CA 3.07Å; I267-Y328 HydrophobicContact CB-CD1 4.34Å; I267-Y328 HydrophobicContact CD1-CD1 4.16Å; I267-Y328 HydrophobicContact CG1-CD1 4.31Å; I267-Y328 PolarHBondContact N-O 3.26Å; I267-Y328 PolarHBondContact O-N 3.47Å
268	L	98	Very high	96.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.7	-179.5	-52.5	100.5	0	0	0	112	L88 P108 I266 G308 Y309 L319 I321 W326 H327	L88-L268 HydrophobicContact CD1-CD1 3.84Å; L88-L268 HydrophobicContact CD2-CD1 4.09Å; L88-L268 HydrophobicContact CG-CD1 4.33Å; P108-L268 HydrophobicContact CB-CD1 4.36Å; P108-L268 HydrophobicContact CB-CD2 3.83Å; P108-L268 HydrophobicContact CG-CB 4.26Å; P108-L268 HydrophobicContact CG-CD1 4.37Å; P108-L268 HydrophobicContact CG-CD2 4.2Å; I266-L268 HydrophobicContact CB-CD1 4.29Å; I266-L268 HydrophobicContact CG2-CD1 3.43Å; I266-L268 VanDerWaalsContact CG2-CD1 3.43Å; I266-L268 HydrophobicContact CG2-CD2 4.34Å; I266-L268 HydrophobicContact CG2-CG 3.76Å; L268-G308 CarbonylContact O-C 3.41Å; L268-G308 WeakPolarHBondContact O-CA 3.22Å; L268-Y309 PolarHBondContact N-O 3.09Å; L268-Y309 PolarHBondContact O-N 3.32Å; L268-L319 HydrophobicContact CD2-CD2 4.45Å; L268-I321 HydrophobicContact CD2-CB 4.47Å; L268-I321 HydrophobicContact CD2-CG1 4.04Å; L268-I321 HydrophobicContact CD2-CG2 4.04Å; L268-W326 CarbonylContact C-O 3.42Å; L268-W326 WeakPolarHBondContact CA-O 3.4Å; L268-W326 WeakPolarHBondContact CB-O 3.22Å; L268-H327 HydrophobicContact CD2-CB 3.92Å; L268-H327 HydrophobicContact CG-CB 4.09Å
269	Y	97	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.4	170.4	-60.6	-93.2	0	0	0	109.1	L85 L247 I267 L277 L303 A306 Y307 C325 W326	L85-Y269 HydrophobicContact CD2-CE1 3.78Å; L247-Y269 HydrophobicContact CD1-CD2 4.03Å; L247-Y269 HydrophobicContact CD1-CE2 4.4Å; L247-Y269 HydrophobicContact CD2-CD2 4.18Å; L247-Y269 HydrophobicContact CD2-CE2 4.19Å; I267-Y269 HydrophobicContact CG2-CD2 4.31Å; I267-Y269 HydrophobicContact CG2-CE2 3.55Å; Y269-L277 HydrophobicContact CD1-CD2 4.13Å; Y269-L277 HydrophobicContact CD2-CD1 4.32Å; Y269-L277 HydrophobicContact CD2-CD2 3.96Å; Y269-L277 HydrophobicContact CE1-CD2 4.42Å; Y269-L277 HydrophobicContact CE2-CD2 4.24Å; Y269-L277 HydrophobicContact CG-CD1 4.08Å; Y269-L277 HydrophobicContact CG-CD2 3.9Å; Y269-L303 HydrophobicContact CE1-CD1 4.48Å; Y269-A306 HydrophobicContact CD1-CB 3.83Å; Y269-A306 HydrophobicContact CE1-CB 3.76Å; Y269-Y307 WeakPolarHBondContact CD1-O 3.39Å; Y269-C325 PolarHBondContact O-SG 3.19Å; Y269-W326 PolarHBondContact N-O 3.02Å; Y269-W326 WeakPolarHBondContact O-CB 3.43Å; Y269-W326 PolarHBondContact O-N 2.96Å
270	P	96.1	Very high	95.8	Very high	11 Å²	11	25.5 Å²	25.5	7%	0.071	13%	0.13	C	C	.	.			trans	-66	158.9	177.3	26	-28.2	0	0	0	111	I272 E273 Y307 Y309	P270-I272 HydrophobicContact CB-CG2 4.17Å; P270-I272 HydrophobicContact CG-CG2 3.92Å; P270-I272 PolarHBondContact O-N 3.32Å; P270-I272 VanDerWaalsContact O-N 3.09Å; P270-E273 HydrophobicContact CG-CG 4.14Å; P270-E273 WeakPolarHBondContact O-CB 3.38Å; P270-E273 PolarHBondContact O-N 3.41Å; P270-Y307 WeakPolarHBondContact CD-O 3.39Å; P270-Y307 HydrophobicContact CG-CD2 4.21Å; P270-Y307 HydrophobicContact CG-CE1 4.16Å; P270-Y307 HydrophobicContact CG-CE2 3.38Å; P270-Y307 VanDerWaalsContact CG-OH 3.24Å; P270-Y307 WeakPolarHBondContact CG-OH 3.37Å; P270-Y309 HydrophobicContact CG-CE2 4.45Å
271	S	95.4	Very high	95.4	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.063	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-56.7	-30.2	-174.5	61.4	0	0	0	0	114.3	E273 T274 P350	S271-E273 PolarHBondContact O-N 3Å; S271-E273 VanDerWaalsContact O-N 3.09Å; S271-T274 VanDerWaalsContact O-CB 3.29Å; S271-T274 WeakPolarHBondContact O-CB 3.34Å; S271-T274 PolarHBondContact O-N 2.74Å; S271-T274 PolarHBondContact O-OG1 3.04Å; S271-P350 WeakPolarHBondContact OG-CB 3.46Å; S271-P350 VanDerWaalsContact OG-CG 3.23Å; S271-P350 WeakPolarHBondContact OG-CG 3.48Å
272	I	95.3	Very high	95	Very high	66 Å²	66	35.9 Å²	35.9	34%	0.338	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-58.3	-21	175.5	-170.6	64.7	0	0	0	113.3	P270 Y307 T353	P270-I272 HydrophobicContact CB-CG2 4.17Å; P270-I272 HydrophobicContact CG-CG2 3.92Å; P270-I272 PolarHBondContact O-N 3.32Å; P270-I272 VanDerWaalsContact O-N 3.09Å; I272-Y307 HydrophobicContact CG2-CE1 3.81Å; I272-Y307 WeakPolarHBondContact CG2-OH 3.45Å; I272-T353 WeakPolarHBondContact CA-OG1 3.49Å; I272-T353 HydrophobicContact CD1-CG2 3.67Å; I272-T353 WeakPolarHBondContact CD1-OG1 3.41Å
273	E	95.7	Very high	94.7	Very high	16 Å²	16	43.4 Å²	43.4	8%	0.075	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-87	-3.5	178.8	-65.7	-55.2	137.9	0	0	114	P270 S271 K275 N276 L277 A306 Y307	P270-E273 HydrophobicContact CG-CG 4.14Å; P270-E273 WeakPolarHBondContact O-CB 3.38Å; P270-E273 PolarHBondContact O-N 3.41Å; S271-E273 PolarHBondContact O-N 3Å; S271-E273 VanDerWaalsContact O-N 3.09Å; E273-K275 PolarHBondContact O-N 3.29Å; E273-N276 WeakPolarHBondContact O-CA 3.42Å; E273-N276 WeakPolarHBondContact O-CB 3.39Å; E273-N276 PolarHBondContact O-N 2.9Å; E273-N276 PolarHBondContact OE2-ND2 2.95Å; E273-L277 HydrophobicContact CB-CD1 4.3Å; E273-L277 HydrophobicContact CB-CG 4.5Å; E273-L277 WeakPolarHBondContact O-CG 3.38Å; E273-L277 PolarHBondContact O-N 3.05Å; E273-A306 WeakPolarHBondContact OE2-CA 3.29Å; E273-Y307 HydrophobicContact CG-CD1 3.99Å; E273-Y307 HydrophobicContact CG-CE1 4Å; E273-Y307 WeakPolarHBondContact CG-O 3.23Å; E273-Y307 WeakPolarHBondContact OE1-CD1 3.42Å; E273-Y307 WeakPolarHBondContact OE1-CE1 3.31Å
274	T	95.4	Very high	94.3	Very high	20 Å²	20	45.2 Å²	45.2	12%	0.123	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-45.9	-44.6	-176.4	-64.2	0	0	0	0	113.2	S271 N276 L277 P279 W326	S271-T274 VanDerWaalsContact O-CB 3.29Å; S271-T274 WeakPolarHBondContact O-CB 3.34Å; S271-T274 PolarHBondContact O-N 2.74Å; S271-T274 PolarHBondContact O-OG1 3.04Å; T274-N276 PolarHBondContact O-N 3.34Å; T274-N276 VanDerWaalsContact O-N 3.11Å; T274-L277 PolarHBondContact O-N 3.03Å; T274-P279 HydrophobicContact CG2-CG 3.88Å; T274-W326 HydrophobicContact CG2-CZ2 3.87Å; T274-W326 PolarHBondContact OG1-NE1 2.98Å
275	K	94.3	Very high	94.1	Very high	122 Å²	122	48.4 Å²	48.4	53%	0.53	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-61	-19.7	178.3	69.5	-173.8	176.6	-169.7	0	115.4	E273	E273-K275 PolarHBondContact O-N 3.29Å
276	N	96	Very high	94.1	Very high	19 Å²	19	49 Å²	49	10%	0.102	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-97.7	-7.5	178.9	-64.1	-34.6	0	0	0	112.6	E273 T274 Y278 K302 A306	E273-N276 WeakPolarHBondContact O-CA 3.42Å; E273-N276 WeakPolarHBondContact O-CB 3.39Å; E273-N276 PolarHBondContact O-N 2.9Å; E273-N276 PolarHBondContact OE2-ND2 2.95Å; T274-N276 PolarHBondContact O-N 3.34Å; T274-N276 VanDerWaalsContact O-N 3.11Å; N276-Y278 WeakPolarHBondContact O-CD2 3.42Å; N276-Y278 WeakPolarHBondContact O-CE2 3.3Å; N276-K302 HydrophobicContact CB-CB 4.19Å; N276-A306 HydrophobicContact CB-CB 3.9Å
277	L	96.2	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-105.4	1.9	-172.9	-56.9	176.3	0	0	0	113.9	L247 Y269 E273 T274 S288 L303 A306 W326	L247-L277 HydrophobicContact CD2-CD1 4.45Å; L247-L277 HydrophobicContact CD2-CD2 4.04Å; Y269-L277 HydrophobicContact CD1-CD2 4.13Å; Y269-L277 HydrophobicContact CD2-CD1 4.32Å; Y269-L277 HydrophobicContact CD2-CD2 3.96Å; Y269-L277 HydrophobicContact CE1-CD2 4.42Å; Y269-L277 HydrophobicContact CE2-CD2 4.24Å; Y269-L277 HydrophobicContact CG-CD1 4.08Å; Y269-L277 HydrophobicContact CG-CD2 3.9Å; E273-L277 HydrophobicContact CB-CD1 4.3Å; E273-L277 HydrophobicContact CB-CG 4.5Å; E273-L277 WeakPolarHBondContact O-CG 3.38Å; E273-L277 PolarHBondContact O-N 3.05Å; T274-L277 PolarHBondContact O-N 3.03Å; L277-S288 WeakPolarHBondContact O-CB 3.36Å; L277-S288 PolarHBondContact O-OG 3Å; L277-L303 HydrophobicContact CD2-CD1 4Å; L277-A306 HydrophobicContact CD2-CB 4.27Å; L277-W326 HydrophobicContact CD1-CB 3.72Å; L277-W326 VanDerWaalsContact CD1-CD1 3.46Å; L277-W326 HydrophobicContact CD1-CD2 3.67Å; L277-W326 HydrophobicContact CD1-CE3 4.41Å; L277-W326 HydrophobicContact CD1-CG 3.32Å
278	Y	96.4	Very high	94.2	Very high	50 Å²	50	48.2 Å²	48.2	20%	0.196	25%	0.251	C	S	.	.			trans	46.9	65.1	173.6	-57.9	-99.9	0	0	0	113.5	N276 Q289 I290 F300 P301 K302	N276-Y278 WeakPolarHBondContact O-CD2 3.42Å; N276-Y278 WeakPolarHBondContact O-CE2 3.3Å; Y278-Q289 WeakPolarHBondContact O-CB 3.27Å; Y278-Q289 WeakPolarHBondContact O-CG 3.21Å; Y278-Q289 PolarHBondContact O-N 2.71Å; Y278-I290 HydrophobicContact CD2-CD1 4.03Å; Y278-I290 HydrophobicContact CD2-CG1 4.36Å; Y278-F300 AromaticContact CD1-CD1 3.9Å; Y278-F300 HydrophobicContact CD1-CD1 3.9Å; Y278-F300 HydrophobicContact CD1-CE1 4.48Å; Y278-F300 HydrophobicContact CD2-CB 4.02Å; Y278-F300 AromaticContact CD2-CD1 3.8Å; Y278-F300 HydrophobicContact CD2-CD1 3.8Å; Y278-F300 HydrophobicContact CD2-CG 4.32Å; Y278-F300 HydrophobicContact CE1-CD1 4.27Å; Y278-F300 HydrophobicContact CE2-CB 3.78Å; Y278-F300 HydrophobicContact CE2-CD1 4.18Å; Y278-F300 HydrophobicContact CE2-CG 4.48Å; Y278-F300 AromaticContact CG-CD1 3.63Å; Y278-F300 HydrophobicContact CG-CD1 3.63Å; Y278-F300 HydrophobicContact CG-CE1 4.26Å; Y278-P301 VanDerWaalsContact OH-CD 3.25Å; Y278-P301 WeakPolarHBondContact OH-CD 3.35Å; Y278-K302 HydrophobicContact CE2-CB 3.78Å; Y278-K302 HydrophobicContact CE2-CG 4.45Å; Y278-K302 WeakPolarHBondContact OH-CB 3.25Å; Y278-K302 VanDerWaalsContact OH-CG 3.27Å; Y278-K302 WeakPolarHBondContact OH-CG 3.36Å; Y278-K302 PolarHBondContact OH-N 2.84Å
279	P	95.8	Very high	94.1	Very high	30 Å²	30	51.3 Å²	51.3	20%	0.195	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-55.9	157.6	173.2	-20.9	33.2	0	0	0	112.1	T274 S285 T287 Q289 W326	T274-P279 HydrophobicContact CG2-CG 3.88Å; P279-S285 WeakPolarHBondContact CB-O 3.43Å; P279-T287 CarbonylContact C-O 3.52Å; P279-T287 WeakPolarHBondContact CA-O 3.13Å; P279-Q289 PolarHBondContact O-NE2 3.5Å; P279-W326 HydrophobicContact CB-CH2 3.84Å; P279-W326 HydrophobicContact CB-CZ2 4.32Å; P279-W326 HydrophobicContact CG-CH2 3.65Å; P279-W326 HydrophobicContact CG-CZ2 3.67Å
280	Y	94.1	Very high	93.9	Very high	64 Å²	64	51.6 Å²	51.6	25%	0.251	27%	0.267	S	S	.	.			trans	-67.4	161.1	163.5	-72.5	-94.1	0	0	0	110.4	T152 D282 L284 S285 T287 Q289	T152-Y280 HydrophobicContact CG2-CE2 4.26Å; Y280-D282 WeakPolarHBondContact CB-OD1 3.26Å; Y280-L284 WeakPolarHBondContact CB-O 3.07Å; Y280-L284 HydrophobicContact CD2-CB 4.1Å; Y280-L284 HydrophobicContact CG-CB 4.1Å; Y280-S285 VanDerWaalsContact O-CA 3.29Å; Y280-S285 WeakPolarHBondContact O-CA 3.42Å; Y280-T287 HydrophobicContact CD2-CG2 4.42Å; Y280-T287 WeakPolarHBondContact CD2-O 3.32Å; Y280-T287 HydrophobicContact CE2-CG2 4.36Å; Y280-T287 PolarHBondContact N-O 2.85Å; Y280-Q289 HydrophobicContact CD1-CG 3.9Å; Y280-Q289 HydrophobicContact CD2-CG 3.81Å; Y280-Q289 HydrophobicContact CE1-CG 3.84Å; Y280-Q289 HydrophobicContact CE2-CB 4.28Å; Y280-Q289 HydrophobicContact CE2-CG 3.73Å; Y280-Q289 HydrophobicContact CG-CG 3.89Å
281	N	88.9	Confident	93.5	Very high	164 Å²	164	53 Å²	53	88%	0.877	27%	0.274	S	S	*	.	S	Bend	trans	-103.8	9.2	-179.5	-67.3	-18.8	0	0	0	112.9
282	D	89	Confident	93.1	Very high	94 Å²	94	53.6 Å²	53.6	50%	0.503	28%	0.276	S	S	.	.	S	Bend	trans	-118.6	-151.8	-174.6	59.7	19.1	0	0	0	110.9	Y280 L284 S285	Y280-D282 WeakPolarHBondContact CB-OD1 3.26Å; D282-L284 PolarHBondContact O-N 3.47Å; D282-L284 WeakPolarHBondContact OD1-CB 3.27Å; D282-L284 PolarHBondContact OD1-N 2.93Å; D282-S285 WeakPolarHBondContact O-CB 3.36Å; D282-S285 PolarHBondContact O-N 3.38Å
283	L	87.3	Confident	92.3	Very high	172 Å²	172	53.3 Å²	53.3	90%	0.901	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.4	177.2	-65.3	173.4	0	0	0	113.5	S285	L283-S285 VanDerWaalsContact C-N 3.35Å
284	L	87.9	Confident	91.6	Very high	59 Å²	59	58.3 Å²	58.3	31%	0.309	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	25	175.5	-61.4	177	0	0	0	112.4	Y280 D282 N286 T287	Y280-L284 WeakPolarHBondContact CB-O 3.07Å; Y280-L284 HydrophobicContact CD2-CB 4.1Å; Y280-L284 HydrophobicContact CG-CB 4.1Å; D282-L284 PolarHBondContact O-N 3.47Å; D282-L284 WeakPolarHBondContact OD1-CB 3.27Å; D282-L284 PolarHBondContact OD1-N 2.93Å; L284-N286 PolarHBondContact O-N 3.34Å; L284-T287 WeakPolarHBondContact O-CA 3.38Å; L284-T287 WeakPolarHBondContact O-CB 3.1Å; L284-T287 PolarHBondContact O-N 3.15Å
285	S	92.1	Very high	91	Very high	69 Å²	69	58.9 Å²	58.9	48%	0.483	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.7	-178.5	66.7	0	0	0	0	114.7	P279 Y280 D282 L283 T287	P279-S285 WeakPolarHBondContact CB-O 3.43Å; Y280-S285 VanDerWaalsContact O-CA 3.29Å; Y280-S285 WeakPolarHBondContact O-CA 3.42Å; D282-S285 WeakPolarHBondContact O-CB 3.36Å; D282-S285 PolarHBondContact O-N 3.38Å; L283-S285 VanDerWaalsContact C-N 3.35Å; S285-T287 VanDerWaalsContact C-N 3.35Å
286	N	94.1	Very high	90.5	Very high	44 Å²	44	56.4 Å²	56.4	24%	0.235	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.8	172.7	71.9	-31.2	0	0	0	114.4	H248 H249 L284 W326	H248-N286 CarbonylContact C-O 3.58Å; H248-N286 WeakPolarHBondContact CA-O 3.3Å; H248-N286 VanDerWaalsContact CB-O 3.22Å; H248-N286 WeakPolarHBondContact CB-O 3.34Å; H249-N286 VanDerWaalsContact CE1-CB 3.42Å; H249-N286 WeakPolarHBondContact CE1-CB 3.44Å; H249-N286 PolarHBondContact N-O 2.92Å; H249-N286 VanDerWaalsContact NE2-CA 3.29Å; H249-N286 WeakPolarHBondContact NE2-CA 3.35Å; H249-N286 PolarHBondContact O-ND2 3.02Å; L284-N286 PolarHBondContact O-N 3.34Å; N286-W326 WeakPolarHBondContact O-CZ3 3.38Å
287	T	96.7	Very high	89.8	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.012	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-117.4	141.7	-179.8	-60.5	0	0	0	0	110.3	Y151 T152 P246 P279 Y280 L284 S285	Y151-T287 HydrophobicContact CE2-CG2 3.79Å; Y151-T287 VanDerWaalsContact OH-CG2 3.31Å; Y151-T287 WeakPolarHBondContact OH-CG2 3.47Å; Y151-T287 PolarHBondContact OH-OG1 2.97Å; T152-T287 HydrophobicContact CG2-CG2 3.62Å; P246-T287 HydrophobicContact CB-CG2 4.3Å; P279-T287 CarbonylContact C-O 3.52Å; P279-T287 WeakPolarHBondContact CA-O 3.13Å; Y280-T287 HydrophobicContact CD2-CG2 4.42Å; Y280-T287 WeakPolarHBondContact CD2-O 3.32Å; Y280-T287 HydrophobicContact CE2-CG2 4.36Å; Y280-T287 PolarHBondContact N-O 2.85Å; L284-T287 WeakPolarHBondContact O-CA 3.38Å; L284-T287 WeakPolarHBondContact O-CB 3.1Å; L284-T287 PolarHBondContact O-N 3.15Å; S285-T287 VanDerWaalsContact C-N 3.35Å
288	S	96.5	Very high	89.3	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.014	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-83.7	144	178.4	175.9	0	0	0	0	111	L247 L277 I290	L247-S288 WeakPolarHBondContact O-CB 3.38Å; L247-S288 PolarHBondContact O-N 3.3Å; L277-S288 WeakPolarHBondContact O-CB 3.36Å; L277-S288 PolarHBondContact O-OG 3Å; S288-I290 PolarHBondContact O-N 2.86Å; S288-I290 WeakPolarHBondContact OG-CB 3.35Å; S288-I290 WeakPolarHBondContact OG-CG1 3.25Å; S288-I290 PolarHBondContact OG-N 3.48Å
289	Q	95.7	Very high	89	Confident	64 Å²	64	68.7 Å²	68.7	30%	0.299	36%	0.355	S	S	.	.	S	Bend	trans	-73.3	-10.8	170.3	-64.8	178	53.8	0	0	113.2	Y278 P279 Y280 F300	Y278-Q289 WeakPolarHBondContact O-CB 3.27Å; Y278-Q289 WeakPolarHBondContact O-CG 3.21Å; Y278-Q289 PolarHBondContact O-N 2.71Å; P279-Q289 PolarHBondContact O-NE2 3.5Å; Y280-Q289 HydrophobicContact CD1-CG 3.9Å; Y280-Q289 HydrophobicContact CD2-CG 3.81Å; Y280-Q289 HydrophobicContact CE1-CG 3.84Å; Y280-Q289 HydrophobicContact CE2-CB 4.28Å; Y280-Q289 HydrophobicContact CE2-CG 3.73Å; Y280-Q289 HydrophobicContact CG-CG 3.89Å; Q289-F300 HydrophobicContact CB-CE1 3.8Å; Q289-F300 HydrophobicContact CB-CZ 3.8Å; Q289-F300 VanDerWaalsContact O-CZ 3.32Å; Q289-F300 WeakPolarHBondContact O-CZ 2.84Å
290	I	92.6	Very high	88.8	Confident	7 Å²	7	67.8 Å²	67.8	4%	0.036	35%	0.348	C	S	.	.			trans	-78.2	125	-175.9	-57.8	172.1	0	0	0	109.7	Y278 S288 L292 F300 L303	Y278-I290 HydrophobicContact CD2-CD1 4.03Å; Y278-I290 HydrophobicContact CD2-CG1 4.36Å; S288-I290 PolarHBondContact O-N 2.86Å; S288-I290 WeakPolarHBondContact OG-CB 3.35Å; S288-I290 WeakPolarHBondContact OG-CG1 3.25Å; S288-I290 PolarHBondContact OG-N 3.48Å; I290-L292 HydrophobicContact CG2-CD2 3.85Å; I290-L292 HydrophobicContact CG2-CG 4.36Å; I290-F300 HydrophobicContact CB-CD2 4.48Å; I290-F300 HydrophobicContact CD1-CB 4.37Å; I290-F300 HydrophobicContact CG1-CB 4.08Å; I290-F300 HydrophobicContact CG1-CD1 4.1Å; I290-F300 HydrophobicContact CG1-CD2 3.97Å; I290-F300 HydrophobicContact CG1-CE1 4.5Å; I290-F300 HydrophobicContact CG1-CE2 4.38Å; I290-F300 HydrophobicContact CG1-CG 3.79Å; I290-L303 HydrophobicContact CD1-CB 4.12Å; I290-L303 HydrophobicContact CD1-CD1 3.87Å; I290-L303 HydrophobicContact CD1-CD2 4.15Å; I290-L303 HydrophobicContact CD1-CG 4.24Å; I290-L303 HydrophobicContact CG2-CD2 3.87Å
291	D	88.8	Confident	88.7	Confident	41 Å²	41	67.5 Å²	67.5	22%	0.219	35%	0.354	C	S	.	.			trans	-85.6	106.3	164.3	-171.2	-15.8	0	0	0	109.6	K150 D293 H294 I295	K150-D291 VanDerWaalsContact NZ-CG 3.27Å; K150-D291 IonicContact NZ-OD2 3.77Å; K150-D291 PolarHBondContact NZ-OD2 2.88Å; D291-D293 VanDerWaalsContact C-N 3.27Å; D291-D293 PolarHBondContact O-N 3.48Å; D291-D293 PolarHBondContact OD1-N 2.83Å; D291-H294 CarbonylContact O-C 3.48Å; D291-H294 PolarHBondContact O-N 3.15Å; D291-H294 VanDerWaalsContact O-N 3.17Å; D291-H294 PolarHBondContact OD1-N 2.87Å; D291-H294 IonicContact OD2-ND1 3.47Å; D291-I295 WeakPolarHBondContact O-CA 3.39Å; D291-I295 PolarHBondContact O-N 2.75Å; D291-I295 VanDerWaalsContact O-N 3.12Å
292	L	86.9	Confident	88.9	Confident	20 Å²	20	64.6 Å²	64.6	11%	0.105	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.6	-179.8	-70.8	-179.8	0	0	0	113.8	L247 I267 I290 H294 I295 L303 Y328	L247-L292 HydrophobicContact CB-CD1 4.19Å; L247-L292 HydrophobicContact CD1-CD1 4.41Å; L247-L292 HydrophobicContact CD2-CD1 4.26Å; I267-L292 HydrophobicContact CB-CD1 4.35Å; I267-L292 HydrophobicContact CD1-CD1 4.16Å; I267-L292 HydrophobicContact CG2-CD1 4.27Å; I290-L292 HydrophobicContact CG2-CD2 3.85Å; I290-L292 HydrophobicContact CG2-CG 4.36Å; L292-H294 VanDerWaalsContact C-N 3.35Å; L292-I295 HydrophobicContact CD2-CD1 4.16Å; L292-I295 HydrophobicContact CD2-CG1 4.32Å; L292-L303 HydrophobicContact CD2-CD2 4.29Å; L292-Y328 HydrophobicContact CB-CD2 4.12Å; L292-Y328 HydrophobicContact CB-CE2 4.13Å; L292-Y328 HydrophobicContact CB-CG 4.4Å; L292-Y328 HydrophobicContact CD1-CD1 4.17Å; L292-Y328 HydrophobicContact CD1-CD2 3.99Å; L292-Y328 HydrophobicContact CD1-CG 3.65Å; L292-Y328 HydrophobicContact CG-CD2 4.48Å
293	D	78.1	Confident	89.1	Confident	61 Å²	61	60.1 Å²	60.1	33%	0.326	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.9	171.4	-74.8	-43.7	0	0	0	111.6	I244 D291 Y328 R330	I244-D293 WeakPolarHBondContact CD1-OD2 3.27Å; D291-D293 VanDerWaalsContact C-N 3.27Å; D291-D293 PolarHBondContact O-N 3.48Å; D291-D293 PolarHBondContact OD1-N 2.83Å; D293-Y328 PolarHBondContact OD1-OH 3.37Å; D293-Y328 PolarHBondContact OD2-OH 2.86Å; D293-R330 IonicContact OD1-NE 2.71Å; D293-R330 PolarHBondContact OD1-NE 2.82Å
294	H	81.3	Confident	89.1	Confident	120 Å²	120	57.9 Å²	57.9	56%	0.556	29%	0.292	S	S	*	.	S	Bend	trans	-141.4	66.7	-179.2	-55.7	96.6	0	0	0	111.8	D291 L292 D296	D291-H294 CarbonylContact O-C 3.48Å; D291-H294 PolarHBondContact O-N 3.15Å; D291-H294 VanDerWaalsContact O-N 3.17Å; D291-H294 PolarHBondContact OD1-N 2.87Å; D291-H294 IonicContact OD2-ND1 3.47Å; L292-H294 VanDerWaalsContact C-N 3.35Å; H294-D296 PolarHBondContact O-N 2.92Å
295	I	82.1	Confident	89.2	Confident	32 Å²	32	59.7 Å²	59.7	16%	0.164	30%	0.302	C	S	.	.			trans	-63	123.1	-175	-59.7	173.2	0	0	0	111.3	I81 L83 D291 L292 L297 L303	I81-I295 HydrophobicContact CD1-CB 4.28Å; I81-I295 HydrophobicContact CD1-CG2 4.42Å; I81-I295 HydrophobicContact CG2-CD1 4.39Å; L83-I295 HydrophobicContact CD1-CD1 3.97Å; L83-I295 HydrophobicContact CD2-CD1 4.28Å; L83-I295 HydrophobicContact CG-CD1 4.48Å; D291-I295 WeakPolarHBondContact O-CA 3.39Å; D291-I295 PolarHBondContact O-N 2.75Å; D291-I295 VanDerWaalsContact O-N 3.12Å; L292-I295 HydrophobicContact CD2-CD1 4.16Å; L292-I295 HydrophobicContact CD2-CG1 4.32Å; I295-L297 HydrophobicContact CG2-CD2 3.69Å; I295-L297 HydrophobicContact CG2-CG 3.82Å; I295-L303 HydrophobicContact CD1-CD2 4.04Å; I295-L303 HydrophobicContact CG1-CD2 4.3Å; I295-L303 HydrophobicContact CG2-CD2 3.66Å
296	D	84.9	Confident	89.4	Confident	71 Å²	71	56.4 Å²	56.4	38%	0.38	28%	0.279	S	S	.	.			trans	-101.9	91	169.3	-175.6	-13.2	0	0	0	109.9	H294 I298 K299 F300	H294-D296 PolarHBondContact O-N 2.92Å; D296-I298 PolarHBondContact O-N 2.93Å; D296-I298 WeakPolarHBondContact OD1-CA 3.41Å; D296-I298 VanDerWaalsContact OD1-CB 3.28Å; D296-I298 WeakPolarHBondContact OD1-CB 3.45Å; D296-I298 PolarHBondContact OD1-N 3.43Å; D296-K299 HydrophobicContact CB-CB 4.11Å; D296-K299 PolarHBondContact O-N 3.2Å; D296-K299 PolarHBondContact OD1-N 2.88Å; D296-F300 HydrophobicContact CB-CD2 4.4Å; D296-F300 WeakPolarHBondContact O-CD2 3.33Å; D296-F300 PolarHBondContact O-N 3.49Å
297	L	81.5	Confident	89.4	Confident	56 Å²	56	58.6 Å²	58.6	29%	0.293	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.6	177.7	-69.1	179.4	0	0	0	113.6	I81 I295 P301 L303	I81-L297 HydrophobicContact CD1-CD1 4.04Å; I81-L297 HydrophobicContact CD1-CG 4.39Å; I81-L297 HydrophobicContact CG1-CD1 3.98Å; I81-L297 HydrophobicContact CG2-CD1 4.05Å; I295-L297 HydrophobicContact CG2-CD2 3.69Å; I295-L297 HydrophobicContact CG2-CG 3.82Å; L297-P301 WeakPolarHBondContact O-CA 3.46Å; L297-P301 WeakPolarHBondContact O-CB 3.19Å; L297-L303 HydrophobicContact CD2-CB 4.33Å; L297-L303 HydrophobicContact CD2-CD2 4.45Å
298	I	85.3	Confident	89.4	Confident	150 Å²	150	58.5 Å²	58.5	77%	0.769	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-44.7	172.4	-58.4	173.9	0	0	0	108.3	D296	D296-I298 PolarHBondContact O-N 2.93Å; D296-I298 WeakPolarHBondContact OD1-CA 3.41Å; D296-I298 VanDerWaalsContact OD1-CB 3.28Å; D296-I298 WeakPolarHBondContact OD1-CB 3.45Å; D296-I298 PolarHBondContact OD1-N 3.43Å
299	K	89.2	Confident	89.4	Confident	121 Å²	121	59.1 Å²	59.1	53%	0.526	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-36.7	176.7	-169.9	177.4	174.6	-172.1	0	112.8	D296 P301	D296-K299 HydrophobicContact CB-CB 4.11Å; D296-K299 PolarHBondContact O-N 3.2Å; D296-K299 PolarHBondContact OD1-N 2.88Å; K299-P301 VanDerWaalsContact O-CD 3.29Å; K299-P301 WeakPolarHBondContact O-CD 3.39Å
300	F	92.1	Very high	89.4	Confident	11 Å²	11	60.7 Å²	60.7	5%	0.048	29%	0.291	C	S	.	.			trans	-122.2	56.7	-173.8	-50.6	-63	0	0	0	113.3	Y278 Q289 I290 D296 K302 L303	Y278-F300 AromaticContact CD1-CD1 3.9Å; Y278-F300 HydrophobicContact CD1-CD1 3.9Å; Y278-F300 HydrophobicContact CD1-CE1 4.48Å; Y278-F300 HydrophobicContact CD2-CB 4.02Å; Y278-F300 AromaticContact CD2-CD1 3.8Å; Y278-F300 HydrophobicContact CD2-CD1 3.8Å; Y278-F300 HydrophobicContact CD2-CG 4.32Å; Y278-F300 HydrophobicContact CE1-CD1 4.27Å; Y278-F300 HydrophobicContact CE2-CB 3.78Å; Y278-F300 HydrophobicContact CE2-CD1 4.18Å; Y278-F300 HydrophobicContact CE2-CG 4.48Å; Y278-F300 AromaticContact CG-CD1 3.63Å; Y278-F300 HydrophobicContact CG-CD1 3.63Å; Y278-F300 HydrophobicContact CG-CE1 4.26Å; Q289-F300 HydrophobicContact CB-CE1 3.8Å; Q289-F300 HydrophobicContact CB-CZ 3.8Å; Q289-F300 VanDerWaalsContact O-CZ 3.32Å; Q289-F300 WeakPolarHBondContact O-CZ 2.84Å; I290-F300 HydrophobicContact CB-CD2 4.48Å; I290-F300 HydrophobicContact CD1-CB 4.37Å; I290-F300 HydrophobicContact CG1-CB 4.08Å; I290-F300 HydrophobicContact CG1-CD1 4.1Å; I290-F300 HydrophobicContact CG1-CD2 3.97Å; I290-F300 HydrophobicContact CG1-CE1 4.5Å; I290-F300 HydrophobicContact CG1-CE2 4.38Å; I290-F300 HydrophobicContact CG1-CG 3.79Å; D296-F300 HydrophobicContact CB-CD2 4.4Å; D296-F300 WeakPolarHBondContact O-CD2 3.33Å; D296-F300 PolarHBondContact O-N 3.49Å; F300-K302 PolarHBondContact O-N 3.45Å; F300-K302 VanDerWaalsContact O-N 3.13Å; F300-L303 WeakPolarHBondContact O-CB 3.33Å; F300-L303 PolarHBondContact O-N 2.95Å
301	P	91.2	Very high	89.3	Confident	58 Å²	58	60.7 Å²	60.7	38%	0.377	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-64.6	-21.3	-171.6	25.6	-36.7	0	0	0	114.6	Y278 L297 K299 L303 K304	Y278-P301 VanDerWaalsContact OH-CD 3.25Å; Y278-P301 WeakPolarHBondContact OH-CD 3.35Å; L297-P301 WeakPolarHBondContact O-CA 3.46Å; L297-P301 WeakPolarHBondContact O-CB 3.19Å; K299-P301 VanDerWaalsContact O-CD 3.29Å; K299-P301 WeakPolarHBondContact O-CD 3.39Å; P301-L303 VanDerWaalsContact C-N 3.31Å; P301-K304 WeakPolarHBondContact O-CD 3.29Å; P301-K304 WeakPolarHBondContact O-CE 3.39Å; P301-K304 VanDerWaalsContact O-CG 3.27Å; P301-K304 WeakPolarHBondContact O-CG 3.3Å
302	K	94.1	Very high	89.6	Confident	102 Å²	102	62.3 Å²	62.3	44%	0.443	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-73.4	-20.5	179.2	-66.2	175.6	-178.2	179	0	113.2	N276 Y278 F300 K304 N305	N276-K302 HydrophobicContact CB-CB 4.19Å; Y278-K302 HydrophobicContact CE2-CB 3.78Å; Y278-K302 HydrophobicContact CE2-CG 4.45Å; Y278-K302 WeakPolarHBondContact OH-CB 3.25Å; Y278-K302 VanDerWaalsContact OH-CG 3.27Å; Y278-K302 WeakPolarHBondContact OH-CG 3.36Å; Y278-K302 PolarHBondContact OH-N 2.84Å; F300-K302 PolarHBondContact O-N 3.45Å; F300-K302 VanDerWaalsContact O-N 3.13Å; K302-K304 PolarHBondContact O-N 2.79Å; K302-N305 WeakPolarHBondContact O-CB 3.42Å; K302-N305 PolarHBondContact O-N 3.03Å
303	L	91.9	Very high	90.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-56.6	-36	-179.1	177.3	63.5	0	0	0	112.1	L83 Y269 L277 I290 L292 I295 L297 F300 P301 N305 A306	L83-L303 HydrophobicContact CD2-CD1 4.44Å; L83-L303 HydrophobicContact CD2-CD2 3.97Å; L83-L303 HydrophobicContact CD2-CG 3.86Å; Y269-L303 HydrophobicContact CE1-CD1 4.48Å; L277-L303 HydrophobicContact CD2-CD1 4Å; I290-L303 HydrophobicContact CD1-CB 4.12Å; I290-L303 HydrophobicContact CD1-CD1 3.87Å; I290-L303 HydrophobicContact CD1-CD2 4.15Å; I290-L303 HydrophobicContact CD1-CG 4.24Å; I290-L303 HydrophobicContact CG2-CD2 3.87Å; L292-L303 HydrophobicContact CD2-CD2 4.29Å; I295-L303 HydrophobicContact CD1-CD2 4.04Å; I295-L303 HydrophobicContact CG1-CD2 4.3Å; I295-L303 HydrophobicContact CG2-CD2 3.66Å; L297-L303 HydrophobicContact CD2-CB 4.33Å; L297-L303 HydrophobicContact CD2-CD2 4.45Å; F300-L303 WeakPolarHBondContact O-CB 3.33Å; F300-L303 PolarHBondContact O-N 2.95Å; P301-L303 VanDerWaalsContact C-N 3.31Å; L303-N305 PolarHBondContact O-N 2.71Å; L303-N305 VanDerWaalsContact O-N 3.11Å; L303-A306 HydrophobicContact CD1-CB 4.44Å; L303-A306 WeakPolarHBondContact O-CB 3.32Å; L303-A306 PolarHBondContact O-N 3.11Å
304	K	88.4	Confident	91	Very high	125 Å²	125	64.2 Å²	64.2	54%	0.543	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.1	178.1	77.7	-167.8	177.7	171.6	0	113.8	P301 K302	P301-K304 WeakPolarHBondContact O-CD 3.29Å; P301-K304 WeakPolarHBondContact O-CE 3.39Å; P301-K304 VanDerWaalsContact O-CG 3.27Å; P301-K304 WeakPolarHBondContact O-CG 3.3Å; K302-K304 PolarHBondContact O-N 2.79Å
305	N	90.8	Very high	91.8	Very high	97 Å²	97	61.9 Å²	61.9	52%	0.519	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-91	-13.3	179	-55.8	-30.4	0	0	0	111.8	K302 L303 Y307	K302-N305 WeakPolarHBondContact O-CB 3.42Å; K302-N305 PolarHBondContact O-N 3.03Å; L303-N305 PolarHBondContact O-N 2.71Å; L303-N305 VanDerWaalsContact O-N 3.11Å; N305-Y307 PolarHBondContact O-N 3.03Å
306	A	94.5	Very high	92.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.			trans	-74.3	127.2	-176.2	0	0	0	0	0	110.7	N84 Y269 E273 N276 L277 L303	N84-A306 WeakPolarHBondContact CB-O 3.44Å; Y269-A306 HydrophobicContact CD1-CB 3.83Å; Y269-A306 HydrophobicContact CE1-CB 3.76Å; E273-A306 WeakPolarHBondContact OE2-CA 3.29Å; N276-A306 HydrophobicContact CB-CB 3.9Å; L277-A306 HydrophobicContact CD2-CB 4.27Å; L303-A306 HydrophobicContact CD1-CB 4.44Å; L303-A306 WeakPolarHBondContact O-CB 3.32Å; L303-A306 PolarHBondContact O-N 3.11Å
307	Y	95.1	Very high	93.2	Very high	90 Å²	90	58.5 Å²	58.5	35%	0.353	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.7	171.9	82	-91.6	0	0	0	110.6	N84 Y269 P270 I272 E273 N305	N84-Y307 WeakPolarHBondContact ND2-CB 3.33Å; N84-Y307 CarbonylContact O-C 3.24Å; N84-Y307 VanDerWaalsContact O-CA 3.24Å; N84-Y307 WeakPolarHBondContact O-CA 3.39Å; Y269-Y307 WeakPolarHBondContact CD1-O 3.39Å; P270-Y307 WeakPolarHBondContact CD-O 3.39Å; P270-Y307 HydrophobicContact CG-CD2 4.21Å; P270-Y307 HydrophobicContact CG-CE1 4.16Å; P270-Y307 HydrophobicContact CG-CE2 3.38Å; P270-Y307 VanDerWaalsContact CG-OH 3.24Å; P270-Y307 WeakPolarHBondContact CG-OH 3.37Å; I272-Y307 HydrophobicContact CG2-CE1 3.81Å; I272-Y307 WeakPolarHBondContact CG2-OH 3.45Å; E273-Y307 HydrophobicContact CG-CD1 3.99Å; E273-Y307 HydrophobicContact CG-CE1 4Å; E273-Y307 WeakPolarHBondContact CG-O 3.23Å; E273-Y307 WeakPolarHBondContact OE1-CD1 3.42Å; E273-Y307 WeakPolarHBondContact OE1-CE1 3.31Å; N305-Y307 PolarHBondContact O-N 3.03Å
308	G	96.3	Very high	94	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	-170	-176.5	0	0	0	0	0	113.3	N84 L85 I86 L268	N84-G308 PolarHBondContact O-N 3.45Å; L85-G308 WeakPolarHBondContact CA-O 3.37Å; I86-G308 WeakPolarHBondContact CG1-O 3.38Å; I86-G308 PolarHBondContact N-O 2.84Å; L268-G308 CarbonylContact O-C 3.41Å; L268-G308 WeakPolarHBondContact O-CA 3.22Å
309	Y	97.1	Very high	94.6	Very high	16 Å²	16	48.7 Å²	48.7	6%	0.063	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.7	-179.7	-54	-95.7	0	0	0	109.6	I86 L88 K107 P108 I267 L268 P270	I86-Y309 HydrophobicContact CD1-CD1 3.96Å; I86-Y309 HydrophobicContact CD1-CE1 3.65Å; I86-Y309 HydrophobicContact CG1-CD1 3.69Å; I86-Y309 HydrophobicContact CG1-CE1 3.9Å; I86-Y309 HydrophobicContact CG1-CG 4.46Å; I86-Y309 CarbonylContact O-C 3.58Å; I86-Y309 WeakPolarHBondContact O-CA 3.46Å; L88-Y309 HydrophobicContact CD2-CD1 4.35Å; L88-Y309 HydrophobicContact CD2-CG 4.25Å; K107-Y309 WeakPolarHBondContact CD-OH 3.37Å; K107-Y309 WeakPolarHBondContact CG-OH 3.48Å; P108-Y309 HydrophobicContact CG-CD1 4.15Å; P108-Y309 HydrophobicContact CG-CD2 3.45Å; P108-Y309 VanDerWaalsContact CG-CD2 3.45Å; P108-Y309 HydrophobicContact CG-CE2 3.91Å; P108-Y309 HydrophobicContact CG-CG 3.6Å; I267-Y309 CarbonylContact C-O 3.6Å; I267-Y309 WeakPolarHBondContact CA-O 3.24Å; L268-Y309 PolarHBondContact N-O 3.09Å; L268-Y309 PolarHBondContact O-N 3.32Å; P270-Y309 HydrophobicContact CG-CE2 4.45Å
310	Y	95	Very high	95.1	Very high	97 Å²	97	43 Å²	43	38%	0.38	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.4	170.9	78.2	-77.8	0	0	0	111.6	L85 I86 Q87 L88 I266	L85-Y310 HydrophobicContact CB-CD1 3.67Å; L85-Y310 HydrophobicContact CB-CE1 4.43Å; L85-Y310 HydrophobicContact CB-CG 4.38Å; I86-Y310 WeakPolarHBondContact O-CD1 3.18Å; I86-Y310 PolarHBondContact O-N 2.94Å; Q87-Y310 CarbonylContact C-O 3.52Å; Q87-Y310 WeakPolarHBondContact CA-O 3.27Å; Q87-Y310 HydrophobicContact CB-CE1 4.05Å; L88-Y310 PolarHBondContact N-O 3.45Å; I266-Y310 VanDerWaalsContact O-CA 3.31Å; I266-Y310 WeakPolarHBondContact O-CA 3.45Å
311	G	89.9	Confident	95.4	Very high	6 Å²	6	42.6 Å²	42.6	6%	0.062	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	175.5	173.1	0	0	0	0	0	112.1	I266	I266-G311 PolarHBondContact N-O 3.3Å; I266-G311 PolarHBondContact O-N 3.18Å
312	I	95.6	Very high	95.7	Very high	75 Å²	75	39.9 Å²	39.9	39%	0.385	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.8	171.9	-62.8	173.6	0	0	0	106.6	K264 L265 K314 L332	K264-I312 CarbonylContact O-C 3.55Å; K264-I312 VanDerWaalsContact O-CA 3.31Å; K264-I312 WeakPolarHBondContact O-CA 3.45Å; L265-I312 HydrophobicContact CD1-CG1 4.4Å; I312-K314 HydrophobicContact CG2-CG 4.22Å; I312-L332 HydrophobicContact CD1-CD1 3.82Å; I312-L332 HydrophobicContact CG1-CD1 4.02Å; I312-L332 HydrophobicContact CG2-CD1 3.87Å
313	I	97	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.2	169.4	62.4	175.3	0	0	0	109.2	I110 L257 Q259 S263 K264 I266 E317 L319	I110-I313 HydrophobicContact CD1-CG2 3.94Å; I110-I313 HydrophobicContact CG1-CG2 4.19Å; L257-I313 HydrophobicContact CD2-CD1 3.66Å; L257-I313 HydrophobicContact CG-CD1 4.08Å; Q259-I313 HydrophobicContact CB-CD1 4.27Å; Q259-I313 HydrophobicContact CB-CG1 4.39Å; Q259-I313 HydrophobicContact CG-CG1 4.45Å; S263-I313 CarbonylContact C-O 3.57Å; S263-I313 WeakPolarHBondContact CA-O 3.37Å; S263-I313 WeakPolarHBondContact CB-O 3.31Å; K264-I313 HydrophobicContact CB-CD1 4.14Å; K264-I313 HydrophobicContact CB-CG1 3.8Å; K264-I313 HydrophobicContact CD-CD1 4.48Å; K264-I313 PolarHBondContact N-O 2.84Å; K264-I313 PolarHBondContact O-N 3.03Å; I266-I313 HydrophobicContact CD1-CD1 4.03Å; I266-I313 HydrophobicContact CD1-CG1 4.27Å; I266-I313 HydrophobicContact CG1-CD1 4.31Å; I266-I313 HydrophobicContact CG1-CG1 4.17Å; I266-I313 HydrophobicContact CG1-CG2 4.15Å; I313-E317 WeakPolarHBondContact CA-OE2 3.35Å; I313-L319 HydrophobicContact CG2-CB 3.92Å
314	K	97.3	Very high	96	Very high	122 Å²	122	36.5 Å²	36.5	53%	0.53	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	162.9	-178.6	-60.3	175.3	-176.2	172.1	0	110.2	Q259 I312 G316 E317	Q259-K314 WeakPolarHBondContact CB-O 3.46Å; I312-K314 HydrophobicContact CG2-CG 4.22Å; K314-G316 PolarHBondContact O-N 3.14Å; K314-E317 PolarHBondContact N-OE2 2.88Å; K314-E317 VanDerWaalsContact O-CB 3.29Å; K314-E317 WeakPolarHBondContact O-CB 3.48Å; K314-E317 PolarHBondContact O-N 3.48Å
315	K	97.8	Very high	96.4	Very high	70 Å²	70	30.8 Å²	30.8	30%	0.304	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40.6	125.6	171.9	171.9	171.7	-178.9	-166.6	0	112.1	I121 Y128 Q259 I260 G262	I121-K315 HydrophobicContact CG2-CG 4.26Å; I121-K315 WeakPolarHBondContact O-CE 3.45Å; I121-K315 PolarHBondContact O-NZ 3.01Å; Y128-K315 VanDerWaalsContact CZ-NZ 3.26Å; Y128-K315 PolarHBondContact OH-NZ 3.23Å; Q259-K315 CarbonylContact O-C 3.45Å; Q259-K315 WeakPolarHBondContact O-CA 3.14Å; I260-K315 WeakPolarHBondContact O-CG 3.38Å; G262-K315 PolarHBondContact O-N 2.88Å; G262-K315 VanDerWaalsContact O-N 3.12Å
316	G	97.9	Very high	96.8	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.031	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-5.5	179.6	0	0	0	0	0	115.2	I115 N116 Q259 K314	I115-G316 VanDerWaalsContact CG1-O 3.26Å; I115-G316 WeakPolarHBondContact CG1-O 3.39Å; N116-G316 PolarHBondContact OD1-O 3.4Å; Q259-G316 PolarHBondContact O-N 3.35Å; K314-G316 PolarHBondContact O-N 3.14Å
317	E	98.5	Very high	97	Very high	29 Å²	29	26.4 Å²	26.4	14%	0.136	12%	0.117	C	C	.	.			trans	-98.5	155.1	178.2	-59.3	-180	151.8	0	0	111.7	H90 I110 I111 N112 Q259 I313 K314	H90-E317 IonicContact CE1-OE1 3.4Å; H90-E317 IonicContact ND1-OE1 3.47Å; I110-E317 HydrophobicContact CG2-CB 3.9Å; I110-E317 HydrophobicContact CG2-CG 4.29Å; I111-E317 WeakPolarHBondContact O-CA 3.21Å; N112-E317 PolarHBondContact OD1-OE1 2.88Å; Q259-E317 PolarHBondContact N-O 3.19Å; I313-E317 WeakPolarHBondContact CA-OE2 3.35Å; K314-E317 PolarHBondContact N-OE2 2.88Å; K314-E317 VanDerWaalsContact O-CB 3.29Å; K314-E317 WeakPolarHBondContact O-CB 3.48Å; K314-E317 PolarHBondContact O-N 3.48Å
318	M	98.6	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.7	172.7	-50	-174.2	-66.2	0	0	109.9	I110 I111 S114 I115 P211 Y213 L256 L257 T258	I110-M318 CarbonylContact C-O 3.53Å; I110-M318 VanDerWaalsContact CA-O 3.3Å; I110-M318 WeakPolarHBondContact CA-O 3.39Å; I111-M318 HydrophobicContact CB-CB 4.31Å; I111-M318 HydrophobicContact CB-CE 3.91Å; I111-M318 HydrophobicContact CD1-CE 3.97Å; I111-M318 HydrophobicContact CG2-CE 3.71Å; I111-M318 PolarHBondContact N-O 2.8Å; I111-M318 PolarHBondContact O-N 2.62Å; S114-M318 VanDerWaalsContact CB-CE 3.48Å; I115-M318 HydrophobicContact CB-SD 4.44Å; I115-M318 HydrophobicContact CD1-CG 3.68Å; I115-M318 HydrophobicContact CD1-SD 4.31Å; I115-M318 HydrophobicContact CG1-CG 4.09Å; I115-M318 HydrophobicContact CG1-SD 4.44Å; I115-M318 HydrophobicContact CG2-CE 4.16Å; I115-M318 HydrophobicContact CG2-CG 4.04Å; I115-M318 HydrophobicContact CG2-SD 3.27Å; I115-M318 WeakPolarHBondContact CG2-SD 3.44Å; P211-M318 HydrophobicContact CB-SD 4.27Å; P211-M318 HydrophobicContact CG-SD 4.03Å; Y213-M318 HydrophobicContact CD2-CE 3.75Å; Y213-M318 HydrophobicContact CE2-CE 3.64Å; L256-M318 HydrophobicContact CD1-CB 4.47Å; L256-M318 HydrophobicContact CD2-CB 4.15Å; L256-M318 HydrophobicContact CD2-CE 4.02Å; L256-M318 HydrophobicContact CD2-CG 4.3Å; L256-M318 HydrophobicContact CD2-SD 3.36Å; L256-M318 WeakPolarHBondContact CD2-SD 3.36Å; L256-M318 HydrophobicContact CG-CB 4.11Å; L256-M318 HydrophobicContact CG-SD 4.32Å; L257-M318 CarbonylContact O-C 3.41Å; L257-M318 WeakPolarHBondContact O-CA 3.25Å; T258-M318 HydrophobicContact CG2-CB 4.28Å; T258-M318 HydrophobicContact CG2-CG 3.67Å; T258-M318 HydrophobicContact CG2-SD 3.73Å
319	L	98.7	Very high	97.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.6	172.1	170	70	0	0	0	109.6	L88 I110 L256 L257 I266 L268 I313 I321	L88-L319 HydrophobicContact CD1-CD1 3.82Å; L88-L319 HydrophobicContact CD2-CD1 4.43Å; I110-L319 HydrophobicContact CG1-CD1 4.12Å; L256-L319 CarbonylContact C-O 3.6Å; L256-L319 WeakPolarHBondContact CA-O 3.16Å; L257-L319 HydrophobicContact CB-CB 4.38Å; L257-L319 PolarHBondContact N-O 3.42Å; L257-L319 PolarHBondContact O-N 2.98Å; I266-L319 HydrophobicContact CB-CD2 4.32Å; I266-L319 HydrophobicContact CD1-CD2 4.33Å; I266-L319 HydrophobicContact CG1-CD2 4Å; I266-L319 HydrophobicContact CG2-CD2 3.74Å; L268-L319 HydrophobicContact CD2-CD2 4.45Å; I313-L319 HydrophobicContact CG2-CB 3.92Å; L319-I321 HydrophobicContact CD2-CD1 3.89Å; L319-I321 HydrophobicContact CD2-CG1 3.73Å; L319-I321 HydrophobicContact CG-CD1 4.39Å; L319-I321 HydrophobicContact CG-CG1 3.75Å
320	Y	98.6	Very high	96.9	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124	165.1	176	-107	0	0	0	109.8	F99 I103 P108 F109 A254 P322 W342 L344	F99-Y320 HydrophobicContact CE2-CD2 4.46Å; F99-Y320 HydrophobicContact CZ-CD2 4.18Å; F99-Y320 HydrophobicContact CZ-CE2 4.43Å; I103-Y320 HydrophobicContact CB-CE1 4.31Å; I103-Y320 HydrophobicContact CG2-CD2 4.33Å; I103-Y320 HydrophobicContact CG2-CE1 3.93Å; I103-Y320 HydrophobicContact CG2-CE2 3.74Å; P108-Y320 VanDerWaalsContact CA-O 3.25Å; P108-Y320 WeakPolarHBondContact CA-O 3.38Å; P108-Y320 WeakPolarHBondContact CB-O 3.44Å; F109-Y320 AromaticContact CD1-CD1 3.75Å; F109-Y320 HydrophobicContact CD1-CD1 3.75Å; F109-Y320 HydrophobicContact CD1-CG 4.37Å; F109-Y320 AromaticContact CE1-CD1 3.24Å; F109-Y320 HydrophobicContact CE1-CD1 3.24Å; F109-Y320 AromaticContact CE1-CE1 3.94Å; F109-Y320 HydrophobicContact CE1-CE1 3.94Å; F109-Y320 AromaticContact CE1-CG 3.77Å; F109-Y320 HydrophobicContact CE1-CG 3.77Å; F109-Y320 AromaticContact CZ-CD1 3.83Å; F109-Y320 HydrophobicContact CZ-CD1 3.83Å; F109-Y320 AromaticContact CZ-CG 3.86Å; F109-Y320 HydrophobicContact CZ-CG 3.86Å; F109-Y320 PolarHBondContact N-O 2.91Å; F109-Y320 PolarHBondContact O-N 2.9Å; A254-Y320 HydrophobicContact CB-CE2 3.99Å; Y320-P322 HydrophobicContact CD1-CG 4.24Å; Y320-P322 HydrophobicContact CE1-CB 4.16Å; Y320-P322 HydrophobicContact CE1-CG 3.72Å; Y320-W342 AromaticContact CD2-CH2 3.88Å; Y320-W342 HydrophobicContact CD2-CH2 3.88Å; Y320-W342 HydrophobicContact CD2-CZ2 4.37Å; Y320-W342 AromaticContact CE2-CH2 3.85Å; Y320-W342 HydrophobicContact CE2-CH2 3.85Å; Y320-W342 AromaticContact CE2-CZ2 3.96Å; Y320-W342 HydrophobicContact CE2-CZ2 3.96Å; Y320-L344 WeakPolarHBondContact OH-CD1 3.29Å
321	I	98.5	Very high	96.7	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.015	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.8	173.6	-49.6	177.4	0	0	0	107.1	N255 L268 L319 C325 H327	N255-I321 HydrophobicContact CB-CB 4.11Å; N255-I321 PolarHBondContact N-O 3.14Å; N255-I321 PolarHBondContact O-N 3.32Å; L268-I321 HydrophobicContact CD2-CB 4.47Å; L268-I321 HydrophobicContact CD2-CG1 4.04Å; L268-I321 HydrophobicContact CD2-CG2 4.04Å; L319-I321 HydrophobicContact CD2-CD1 3.89Å; L319-I321 HydrophobicContact CD2-CG1 3.73Å; L319-I321 HydrophobicContact CG-CD1 4.39Å; L319-I321 HydrophobicContact CG-CG1 3.75Å; I321-C325 HydrophobicContact CG2-CB 3.76Å; I321-H327 HydrophobicContact CD1-CB 4.38Å
322	P	97.3	Very high	96.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.013	10%	0.102	C	C	.	.			trans	-64.2	159.7	177.2	-17.5	27.3	0	0	0	112.7	N106 Y320 R324 C325	N106-P322 WeakPolarHBondContact OD1-CB 3.44Å; Y320-P322 HydrophobicContact CD1-CG 4.24Å; Y320-P322 HydrophobicContact CE1-CB 4.16Å; Y320-P322 HydrophobicContact CE1-CG 3.72Å; P322-R324 PolarHBondContact O-N 2.84Å; P322-C325 HydrophobicContact CB-CB 4.41Å; P322-C325 HydrophobicContact CG-CB 4.49Å; P322-C325 WeakPolarHBondContact O-CB 3.34Å; P322-C325 PolarHBondContact O-N 2.7Å; P322-C325 VanDerWaalsContact O-N 3.14Å
323	P	96.5	Very high	96.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	139.5	171.1	-25.9	33.9	0	0	0	112.6	R253 C325 L344 I349	R253-P323 WeakPolarHBondContact O-CA 3.01Å; P323-C325 PolarHBondContact O-N 3.35Å; P323-L344 HydrophobicContact CG-CD1 3.87Å; P323-I349 HydrophobicContact CB-CG1 4.46Å; P323-I349 HydrophobicContact CB-CG2 4.44Å
324	R	96.5	Very high	96.2	Very high	30 Å²	30	23.3 Å²	23.3	11%	0.113	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	9.5	-179.9	-55.1	177.8	177.6	176.5	-1.5	115.1	N251 D252 P322 W326 P350 W352	N251-R324 WeakPolarHBondContact O-CA 3.35Å; N251-R324 WeakPolarHBondContact O-CG 3.34Å; N251-R324 PolarHBondContact O-N 2.79Å; D252-R324 IonicContact OD1-CZ 3.91Å; D252-R324 IonicContact OD1-NE 3Å; D252-R324 PolarHBondContact OD1-NE 3.25Å; D252-R324 IonicContact OD1-NH2 3.61Å; D252-R324 PolarHBondContact OD1-NH2 3.05Å; D252-R324 IonicContact OD2-CZ 3.63Å; D252-R324 IonicContact OD2-NH2 3.41Å; D252-R324 PolarHBondContact OD2-NH2 2.99Å; P322-R324 PolarHBondContact O-N 2.84Å; R324-W326 PolarHBondContact O-N 3.09Å; R324-P350 HydrophobicContact CB-CG 4.18Å; R324-P350 VanDerWaalsContact CD-O 3.22Å; R324-P350 WeakPolarHBondContact CD-O 3.42Å; R324-P350 PolarHBondContact NH1-O 3.06Å; R324-W352 HydrophobicContact CB-CH2 3.77Å; R324-W352 HydrophobicContact CB-CZ2 4.26Å; R324-W352 HydrophobicContact CB-CZ3 4.22Å; R324-W352 VanDerWaalsContact CD-CZ2 3.47Å; R324-W352 HydrophobicContact CG-CH2 3.7Å; R324-W352 HydrophobicContact CG-CZ2 3.65Å; R324-W352 HydrophobicContact CG-CZ3 4.45Å; R324-W352 VanDerWaalsContact CZ-NE1 3.3Å
325	C	97.6	Very high	96.1	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.027	9%	0.088	C	C	.	.			trans	-72.8	121.2	175.9	-167	0	0	0	0	109.4	Y269 I321 P322 P323 H327	Y269-C325 PolarHBondContact O-SG 3.19Å; I321-C325 HydrophobicContact CG2-CB 3.76Å; P322-C325 HydrophobicContact CB-CB 4.41Å; P322-C325 HydrophobicContact CG-CB 4.49Å; P322-C325 WeakPolarHBondContact O-CB 3.34Å; P322-C325 PolarHBondContact O-N 2.7Å; P322-C325 VanDerWaalsContact O-N 3.14Å; P323-C325 PolarHBondContact O-N 3.35Å; C325-H327 PolarHBondContact O-ND1 2.68Å
326	W	97.9	Very high	96.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135	172.5	-66.2	82.9	0	0	0	109.3	L247 H248 H249 L268 Y269 T274 L277 P279 N286 R324	L247-W326 HydrophobicContact CD1-CB 3.91Å; L247-W326 HydrophobicContact CG-CB 4.42Å; L247-W326 HydrophobicContact CG-CE3 4.15Å; H248-W326 CarbonylContact O-C 3.56Å; H248-W326 WeakPolarHBondContact O-CA 3.43Å; H249-W326 HydrophobicContact CB-CD2 4.37Å; H249-W326 HydrophobicContact CB-CG 4.42Å; H249-W326 AromaticContact CD2-CD2 3.86Å; H249-W326 AromaticContact CD2-CE2 3.47Å; H249-W326 VanDerWaalsContact CD2-CE2 3.47Å; H249-W326 AromaticContact CD2-CH2 3.56Å; H249-W326 AromaticContact CD2-CZ2 3.32Å; H249-W326 WeakPolarHBondContact CD2-CZ2 3.47Å; H249-W326 AromaticContact CD2-CZ3 3.93Å; H249-W326 AromaticContact NE2-CZ2 3.82Å; L268-W326 CarbonylContact C-O 3.42Å; L268-W326 WeakPolarHBondContact CA-O 3.4Å; L268-W326 WeakPolarHBondContact CB-O 3.22Å; Y269-W326 PolarHBondContact N-O 3.02Å; Y269-W326 WeakPolarHBondContact O-CB 3.43Å; Y269-W326 PolarHBondContact O-N 2.96Å; T274-W326 HydrophobicContact CG2-CZ2 3.87Å; T274-W326 PolarHBondContact OG1-NE1 2.98Å; L277-W326 HydrophobicContact CD1-CB 3.72Å; L277-W326 VanDerWaalsContact CD1-CD1 3.46Å; L277-W326 HydrophobicContact CD1-CD2 3.67Å; L277-W326 HydrophobicContact CD1-CE3 4.41Å; L277-W326 HydrophobicContact CD1-CG 3.32Å; P279-W326 HydrophobicContact CB-CH2 3.84Å; P279-W326 HydrophobicContact CB-CZ2 4.32Å; P279-W326 HydrophobicContact CG-CH2 3.65Å; P279-W326 HydrophobicContact CG-CZ2 3.67Å; N286-W326 WeakPolarHBondContact O-CZ3 3.38Å; R324-W326 PolarHBondContact O-N 3.09Å
327	H	98.3	Very high	96.2	Very high	6 Å²	6	14 Å²	14	3%	0.028	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	137.1	-179.2	57.2	-81.1	0	0	0	111.4	L247 H248 D250 I267 L268 I321 C325	L247-H327 WeakPolarHBondContact CA-O 3.3Å; H248-H327 AromaticContact CD2-NE2 3.91Å; H248-H327 AromaticContact CE1-CD2 3.65Å; H248-H327 AromaticContact CE1-NE2 3.32Å; H248-H327 PolarHBondContact CE1-NE2 2.8Å; H248-H327 VanDerWaalsContact CE1-NE2 3.32Å; H248-H327 PolarHBondContact N-O 3.14Å; H248-H327 VanDerWaalsContact N-O 3.08Å; H248-H327 PolarHBondContact ND1-O 3.3Å; H248-H327 AromaticContact NE2-CD2 3.99Å; H248-H327 AromaticContact NE2-CE1 3.75Å; H248-H327 AromaticContact NE2-NE2 3.19Å; H248-H327 PolarHBondContact NE2-NE2 2.68Å; H248-H327 VanDerWaalsContact NE2-NE2 3.19Å; H248-H327 PolarHBondContact O-N 3.06Å; H248-H327 PolarHBondContact O-ND1 3.12Å; D250-H327 IonicContact OD1-CE1 3.72Å; D250-H327 IonicContact OD1-NE2 3.78Å; D250-H327 IonicContact OD2-CE1 3.7Å; D250-H327 PolarHBondContact OD2-CE1 2.89Å; D250-H327 IonicContact OD2-NE2 2.69Å; I267-H327 CarbonylContact O-C 3.1Å; I267-H327 WeakPolarHBondContact O-CA 3.07Å; L268-H327 HydrophobicContact CD2-CB 3.92Å; L268-H327 HydrophobicContact CG-CB 4.09Å; I321-H327 HydrophobicContact CD1-CB 4.38Å; C325-H327 PolarHBondContact O-ND1 2.68Å
328	Y	96.9	Very high	96.2	Very high	5 Å²	5	12.7 Å²	12.7	2%	0.02	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.1	172.4	163	-85.5	0	0	0	108.1	I244 I266 I267 L292 D293 R330	I244-Y328 HydrophobicContact CG2-CD2 4.32Å; I244-Y328 HydrophobicContact CG2-CE2 3.54Å; I266-Y328 WeakPolarHBondContact CA-O 3.33Å; I267-Y328 HydrophobicContact CB-CD1 4.34Å; I267-Y328 HydrophobicContact CD1-CD1 4.16Å; I267-Y328 HydrophobicContact CG1-CD1 4.31Å; I267-Y328 PolarHBondContact N-O 3.26Å; I267-Y328 PolarHBondContact O-N 3.47Å; L292-Y328 HydrophobicContact CB-CD2 4.12Å; L292-Y328 HydrophobicContact CB-CE2 4.13Å; L292-Y328 HydrophobicContact CB-CG 4.4Å; L292-Y328 HydrophobicContact CD1-CD1 4.17Å; L292-Y328 HydrophobicContact CD1-CD2 3.99Å; L292-Y328 HydrophobicContact CD1-CG 3.65Å; L292-Y328 HydrophobicContact CG-CD2 4.48Å; D293-Y328 PolarHBondContact OD1-OH 3.37Å; D293-Y328 PolarHBondContact OD2-OH 2.86Å; Y328-R330 HydrophobicContact CE1-CB 3.81Å; Y328-R330 WeakPolarHBondContact OH-CB 2.95Å; Y328-R330 WeakPolarHBondContact OH-CD 3.2Å
329	V	96.8	Very high	96.1	Very high	9 Å²	9	12.7 Å²	12.7	6%	0.055	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.4	-174.4	-178	0	0	0	0	109.8	I244 S245 K264 L265 I266	I244-V329 CarbonylContact C-O 3.59Å; I244-V329 WeakPolarHBondContact CA-O 3.34Å; S245-V329 PolarHBondContact N-O 2.91Å; S245-V329 PolarHBondContact O-N 2.64Å; S245-V329 VanDerWaalsContact O-N 3.09Å; K264-V329 HydrophobicContact CB-CG1 4.09Å; K264-V329 HydrophobicContact CD-CG1 3.65Å; K264-V329 HydrophobicContact CG-CG1 4.19Å; L265-V329 WeakPolarHBondContact O-CA 2.91Å; I266-V329 HydrophobicContact CD1-CB 4.08Å; I266-V329 HydrophobicContact CD1-CG1 3.69Å; I266-V329 HydrophobicContact CD1-CG2 3.67Å
330	R	93	Very high	96.1	Very high	64 Å²	64	12.7 Å²	12.7	24%	0.242	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.7	172.3	-179.9	165.6	61.5	93.5	-1.3	111.7	T243 I244 K264 L265 D293 Y328 L332	T243-R330 WeakPolarHBondContact O-CA 3.34Å; I244-R330 HydrophobicContact CG1-CB 4.27Å; I244-R330 HydrophobicContact CG1-CG 3.95Å; K264-R330 CarbonylContact C-O 3.46Å; K264-R330 VanDerWaalsContact CA-O 3.3Å; K264-R330 WeakPolarHBondContact CA-O 3.24Å; L265-R330 PolarHBondContact N-O 3.4Å; L265-R330 PolarHBondContact O-N 3.09Å; D293-R330 IonicContact OD1-NE 2.71Å; D293-R330 PolarHBondContact OD1-NE 2.82Å; Y328-R330 HydrophobicContact CE1-CB 3.81Å; Y328-R330 WeakPolarHBondContact OH-CB 2.95Å; Y328-R330 WeakPolarHBondContact OH-CD 3.2Å; R330-L332 PolarHBondContact O-N 2.64Å
331	S	92.5	Very high	96	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	119.4	175.8	-56.5	0	0	0	0	111	N242 T243 K264 T333 S335	N242-S331 WeakPolarHBondContact CA-O 3.37Å; N242-S331 PolarHBondContact N-O 3.41Å; T243-S331 PolarHBondContact O-N 2.92Å; T243-S331 WeakPolarHBondContact OG1-CB 3.44Å; T243-S331 PolarHBondContact OG1-OG 3.24Å; K264-S331 WeakPolarHBondContact CE-OG 3.42Å; S331-T333 WeakPolarHBondContact CB-O 3.5Å; S331-S335 PolarHBondContact OG-OG 3.14Å; S331-S335 VanDerWaalsContact OG-OG 3.04Å
332	L	88.9	Confident	95.8	Very high	43 Å²	43	13.8 Å²	13.8	23%	0.225	7%	0.069	C	C	.	.	S	Bend	trans	-85.1	-21.7	177.3	-59.6	179.9	0	0	0	112	K241 S263 L265 I312 R330	K241-L332 VanDerWaalsContact CD-O 3.3Å; K241-L332 WeakPolarHBondContact CD-O 3.38Å; K241-L332 WeakPolarHBondContact CE-O 3.4Å; K241-L332 VanDerWaalsContact CG-O 3.29Å; K241-L332 WeakPolarHBondContact CG-O 3.29Å; S263-L332 PolarHBondContact O-N 3.49Å; L265-L332 HydrophobicContact CB-CD1 4.27Å; L265-L332 HydrophobicContact CB-CD2 3.98Å; L265-L332 HydrophobicContact CB-CG 4.18Å; I312-L332 HydrophobicContact CD1-CD1 3.82Å; I312-L332 HydrophobicContact CG1-CD1 4.02Å; I312-L332 HydrophobicContact CG2-CD1 3.87Å; R330-L332 PolarHBondContact O-N 2.64Å
333	T	90.3	Very high	95.6	Very high	56 Å²	56	16 Å²	16	34%	0.344	8%	0.082	S	C	.	.	S	Bend	trans	-136.3	175.5	174.9	64.4	0	0	0	0	109.8	G262 S263 S331 S335	G262-T333 WeakPolarHBondContact CA-OG1 3.19Å; S263-T333 PolarHBondContact N-OG1 3.43Å; S331-T333 WeakPolarHBondContact CB-O 3.5Å; T333-S335 PolarHBondContact O-N 3.3Å
334	C	92.7	Very high	95.3	Very high	42 Å²	42	16.4 Å²	16.4	28%	0.284	8%	0.083	S	C	.	.	S	Bend	trans	-48	130	157.5	171.2	0	0	0	0	108.7	F171 G262	F171-C334 HydrophobicContact CD1-CB 4.47Å; F171-C334 HydrophobicContact CE1-CB 4.39Å; F171-C334 WeakPolarHBondContact CE1-SG 3.32Å; G262-C334 VanDerWaalsContact CA-O 3.32Å; G262-C334 WeakPolarHBondContact CA-O 3.48Å
335	S	95	Very high	95.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143	-169.1	71.8	0	0	0	0	113.3	G239 N261 K264 S331 T333	G239-S335 PolarHBondContact N-O 3.08Å; G239-S335 VanDerWaalsContact N-O 3.1Å; G239-S335 PolarHBondContact O-N 3.02Å; N261-S335 WeakPolarHBondContact O-CA 3.32Å; K264-S335 WeakPolarHBondContact CE-OG 3.45Å; S331-S335 PolarHBondContact OG-OG 3.14Å; S331-S335 VanDerWaalsContact OG-OG 3.04Å; T333-S335 PolarHBondContact O-N 3.3Å
336	F	98	Very high	94.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.9	167.2	-62.8	-99.8	0	0	0	107.1	W129 L131 W134 W237 F238 Q259 I260 N261	W129-F336 HydrophobicContact CE3-CB 3.91Å; W129-F336 AromaticContact CE3-CD1 3.91Å; W129-F336 HydrophobicContact CE3-CD1 3.91Å; W129-F336 HydrophobicContact CE3-CG 4.15Å; W129-F336 HydrophobicContact CZ3-CB 4.35Å; W129-F336 HydrophobicContact CZ3-CD1 4.44Å; L131-F336 HydrophobicContact CD2-CE2 4.28Å; L131-F336 HydrophobicContact CD2-CZ 3.99Å; W134-F336 AromaticContact CD1-CE1 3.42Å; W134-F336 VanDerWaalsContact CD1-CE1 3.42Å; W134-F336 AromaticContact CD1-CZ 3.72Å; W134-F336 AromaticContact CD2-CE1 3.97Å; W134-F336 HydrophobicContact CD2-CE1 3.97Å; W134-F336 AromaticContact CE2-CE1 3.68Å; W134-F336 AromaticContact CG-CE1 3.83Å; W134-F336 HydrophobicContact CG-CE1 3.83Å; W134-F336 HydrophobicContact CG-CZ 4.24Å; W134-F336 HydrophobicContact CZ2-CD1 4.39Å; W134-F336 HydrophobicContact CZ2-CE1 4.41Å; W134-F336 AromaticContact NE1-CD1 3.77Å; W134-F336 AromaticContact NE1-CE1 3.32Å; W134-F336 VanDerWaalsContact NE1-CE1 3.32Å; W237-F336 CarbonylContact O-C 3.5Å; W237-F336 WeakPolarHBondContact O-CA 3.23Å; F238-F336 HydrophobicContact CB-CD1 4.13Å; F238-F336 HydrophobicContact CB-CE1 4.44Å; F238-F336 HydrophobicContact CD1-CD1 4.37Å; F238-F336 AromaticContact CD1-CE1 3.87Å; F238-F336 HydrophobicContact CD1-CE1 3.87Å; F238-F336 AromaticContact CD2-CD1 3.51Å; F238-F336 HydrophobicContact CD2-CD1 3.51Å; F238-F336 HydrophobicContact CD2-CD2 4.35Å; F238-F336 AromaticContact CD2-CE1 3.24Å; F238-F336 HydrophobicContact CD2-CE1 3.24Å; F238-F336 HydrophobicContact CD2-CE2 4.16Å; F238-F336 HydrophobicContact CD2-CG 4.08Å; F238-F336 AromaticContact CD2-CZ 3.63Å; F238-F336 HydrophobicContact CD2-CZ 3.63Å; F238-F336 AromaticContact CE1-CE1 3.84Å; F238-F336 HydrophobicContact CE1-CE1 3.84Å; F238-F336 HydrophobicContact CE1-CZ 4.31Å; F238-F336 AromaticContact CE2-CD1 3.97Å; F238-F336 HydrophobicContact CE2-CD1 3.97Å; F238-F336 HydrophobicContact CE2-CD2 4.45Å; F238-F336 AromaticContact CE2-CE1 3.23Å; F238-F336 HydrophobicContact CE2-CE1 3.23Å; F238-F336 AromaticContact CE2-CE2 3.82Å; F238-F336 HydrophobicContact CE2-CE2 3.82Å; F238-F336 AromaticContact CE2-CZ 3.16Å; F238-F336 HydrophobicContact CE2-CZ 3.16Å; F238-F336 AromaticContact CG-CD1 3.76Å; F238-F336 HydrophobicContact CG-CD1 3.76Å; F238-F336 AromaticContact CG-CE1 3.6Å; F238-F336 HydrophobicContact CG-CE1 3.6Å; F238-F336 HydrophobicContact CG-CZ 4.39Å; F238-F336 AromaticContact CZ-CE1 3.54Å; F238-F336 HydrophobicContact CZ-CE1 3.54Å; F238-F336 AromaticContact CZ-CZ 3.56Å; F238-F336 HydrophobicContact CZ-CZ 3.56Å; Q259-F336 PolarHBondContact NE2-O 2.9Å; I260-F336 HydrophobicContact CB-CB 4.11Å; I260-F336 PolarHBondContact N-O 3.17Å; N261-F336 HydrophobicContact CB-CB 4.44Å; N261-F336 HydrophobicContact CB-CD2 3.97Å; N261-F336 PolarHBondContact N-O 2.97Å; N261-F336 PolarHBondContact O-N 2.84Å
337	S	98.6	Very high	94.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.7	172	-41.2	0	0	0	0	109.5	W237 T258 Q259 K264	W237-S337 PolarHBondContact N-O 3Å; W237-S337 PolarHBondContact O-N 3.31Å; T258-S337 CarbonylContact O-C 3.56Å; T258-S337 WeakPolarHBondContact O-CA 3.33Å; T258-S337 WeakPolarHBondContact O-CB 3.43Å; Q259-S337 PolarHBondContact NE2-OG 3.18Å; Q259-S337 PolarHBondContact OE1-OG 3.42Å; K264-S337 VanDerWaalsContact CE-OG 3.28Å; K264-S337 WeakPolarHBondContact CE-OG 3.43Å; K264-S337 PolarHBondContact NZ-OG 3.04Å
338	V	98.5	Very high	94.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.5	169.7	179.4	0	0	0	0	107.4	W129 F198 I208 N235 L236 T258 I260 F340	W129-V338 HydrophobicContact CH2-CG2 3.81Å; W129-V338 HydrophobicContact CZ3-CG2 3.91Å; F198-V338 HydrophobicContact CE2-CG1 3.84Å; F198-V338 HydrophobicContact CE2-CG2 4.44Å; F198-V338 HydrophobicContact CZ-CG1 3.94Å; F198-V338 HydrophobicContact CZ-CG2 3.92Å; I208-V338 HydrophobicContact CD1-CB 4.44Å; I208-V338 HydrophobicContact CD1-CG1 3.82Å; I208-V338 HydrophobicContact CD1-CG2 4.28Å; N235-V338 WeakPolarHBondContact O-CA 3.22Å; L236-V338 HydrophobicContact CD1-CG2 4.14Å; T258-V338 WeakPolarHBondContact CA-O 3.33Å; T258-V338 WeakPolarHBondContact CB-O 3.33Å; T258-V338 PolarHBondContact N-O 2.83Å; T258-V338 PolarHBondContact O-N 2.76Å; T258-V338 PolarHBondContact OG1-O 2.91Å; I260-V338 HydrophobicContact CD1-CG2 4.48Å; I260-V338 HydrophobicContact CG1-CG2 4.11Å; V338-F340 HydrophobicContact CB-CE2 4.35Å; V338-F340 HydrophobicContact CG1-CE2 3.83Å; V338-F340 HydrophobicContact CG1-CZ 3.83Å
339	N	98.2	Very high	94	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.4	176.4	90.4	-62.1	0	0	0	111.1	T234 N235 W237 N255 L256 L257 W341	T234-N339 WeakPolarHBondContact CA-O 3.48Å; N235-N339 WeakPolarHBondContact CB-OD1 3.47Å; N235-N339 PolarHBondContact N-O 3.36Å; N235-N339 VanDerWaalsContact N-O 3.11Å; N235-N339 PolarHBondContact N-OD1 3.11Å; N235-N339 PolarHBondContact ND2-OD1 2.86Å; N235-N339 PolarHBondContact O-N 3.02Å; N235-N339 PolarHBondContact O-OD1 3.35Å; W237-N339 VanDerWaalsContact NE1-CG 3.31Å; W237-N339 PolarHBondContact NE1-OD1 3.11Å; N255-N339 PolarHBondContact ND2-ND2 2.85Å; N255-N339 VanDerWaalsContact OD1-CB 3.3Å; N255-N339 WeakPolarHBondContact OD1-CB 3.29Å; N255-N339 PolarHBondContact OD1-ND2 2.78Å; L256-N339 VanDerWaalsContact O-CA 3.3Å; L256-N339 WeakPolarHBondContact O-CA 3.48Å; L257-N339 HydrophobicContact CD1-CB 3.81Å; N339-W341 PolarHBondContact ND2-NE1 3.33Å; N339-W341 VanDerWaalsContact ND2-NE1 3.15Å
340	F	97.6	Very high	93.8	Very high	1 Å²	1	27 Å²	27	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.9	179	-58.6	-98.1	0	0	0	108	W118 I208 I210 P211 I232 E233 T234 N255 L256 T258 V338 W342	W118-F340 AromaticContact CH2-CE2 3.79Å; W118-F340 HydrophobicContact CH2-CE2 3.79Å; W118-F340 AromaticContact CH2-CZ 3.78Å; W118-F340 HydrophobicContact CH2-CZ 3.78Å; W118-F340 HydrophobicContact CZ3-CE2 4.49Å; W118-F340 HydrophobicContact CZ3-CZ 4.48Å; I208-F340 HydrophobicContact CD1-CZ 4.14Å; I210-F340 HydrophobicContact CB-CE1 4.41Å; I210-F340 HydrophobicContact CG1-CD1 4.32Å; I210-F340 HydrophobicContact CG1-CE1 4.03Å; I210-F340 HydrophobicContact CG2-CD1 4.46Å; P211-F340 HydrophobicContact CG-CD2 4.21Å; P211-F340 HydrophobicContact CG-CE2 4.14Å; P211-F340 HydrophobicContact CG-CZ 4.47Å; I232-F340 HydrophobicContact CG2-CB 4.12Å; I232-F340 HydrophobicContact CG2-CD1 4.07Å; E233-F340 CarbonylContact O-C 3.58Å; E233-F340 WeakPolarHBondContact O-CA 3.17Å; T234-F340 HydrophobicContact CG2-CD1 3.44Å; T234-F340 VanDerWaalsContact CG2-CD1 3.44Å; T234-F340 HydrophobicContact CG2-CE1 3.54Å; T234-F340 HydrophobicContact CG2-CG 4.41Å; N255-F340 WeakPolarHBondContact CA-O 3.32Å; L256-F340 HydrophobicContact CB-CB 4.4Å; L256-F340 PolarHBondContact N-O 2.87Å; L256-F340 PolarHBondContact O-N 3.18Å; T258-F340 HydrophobicContact CG2-CD2 3.97Å; T258-F340 HydrophobicContact CG2-CE2 3.66Å; V338-F340 HydrophobicContact CB-CE2 4.35Å; V338-F340 HydrophobicContact CG1-CE2 3.83Å; V338-F340 HydrophobicContact CG1-CZ 3.83Å; F340-W342 WeakPolarHBondContact O-CZ3 3.16Å
341	W	96.7	Very high	93.6	Very high	22 Å²	22	28 Å²	28	8%	0.083	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.9	172.6	-70.9	-39.4	0	0	0	110.5	Q194 I232 E233 N235 D250 R253 A254 N255 N339	Q194-W341 HydrophobicContact CG-CH2 3.82Å; Q194-W341 HydrophobicContact CG-CZ3 4.36Å; I232-W341 WeakPolarHBondContact CA-O 3.38Å; E233-W341 HydrophobicContact CB-CB 4.29Å; E233-W341 HydrophobicContact CB-CE3 4.39Å; E233-W341 PolarHBondContact N-O 2.74Å; E233-W341 PolarHBondContact O-N 3.27Å; N235-W341 WeakPolarHBondContact ND2-CZ3 3.48Å; D250-W341 HydrophobicContact CB-CZ2 4.45Å; D250-W341 PolarHBondContact OD2-NE1 2.78Å; R253-W341 HydrophobicContact CB-CB 4.5Å; R253-W341 PolarHBondContact NH2-O 3Å; A254-W341 VanDerWaalsContact O-CA 3.3Å; A254-W341 WeakPolarHBondContact O-CA 3.18Å; N255-W341 VanDerWaalsContact CB-CD1 3.4Å; N255-W341 PolarHBondContact ND2-NE1 3.44Å; N339-W341 PolarHBondContact ND2-NE1 3.33Å; N339-W341 VanDerWaalsContact ND2-NE1 3.15Å
342	W	94.6	Very high	93.1	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.5	175	77.3	104.9	0	0	0	111.1	F99 C214 I216 I232 A254 L256 Y320 F340 L344	F99-W342 HydrophobicContact CZ-CZ2 4.25Å; C214-W342 HydrophobicContact CB-CD2 4.24Å; C214-W342 HydrophobicContact CB-CE3 4.32Å; C214-W342 HydrophobicContact CB-CG 4.43Å; I216-W342 PolarHBondContact O-NE1 3.2Å; I232-W342 HydrophobicContact CG1-CB 4.12Å; A254-W342 HydrophobicContact CB-CD2 3.83Å; A254-W342 HydrophobicContact CB-CE3 3.96Å; A254-W342 HydrophobicContact CB-CH2 3.7Å; A254-W342 HydrophobicContact CB-CZ2 3.55Å; A254-W342 HydrophobicContact CB-CZ3 3.88Å; A254-W342 PolarHBondContact N-O 3.33Å; A254-W342 PolarHBondContact O-N 2.98Å; A254-W342 VanDerWaalsContact O-N 3.14Å; L256-W342 HydrophobicContact CB-CH2 4.1Å; L256-W342 HydrophobicContact CB-CZ3 3.7Å; L256-W342 HydrophobicContact CD1-CH2 4.36Å; Y320-W342 AromaticContact CD2-CH2 3.88Å; Y320-W342 HydrophobicContact CD2-CH2 3.88Å; Y320-W342 HydrophobicContact CD2-CZ2 4.37Å; Y320-W342 AromaticContact CE2-CH2 3.85Å; Y320-W342 HydrophobicContact CE2-CH2 3.85Å; Y320-W342 AromaticContact CE2-CZ2 3.96Å; Y320-W342 HydrophobicContact CE2-CZ2 3.96Å; F340-W342 WeakPolarHBondContact O-CZ3 3.16Å; W342-L344 HydrophobicContact CZ2-CD2 4.48Å; W342-L344 VanDerWaalsContact NE1-CD2 3.35Å
343	N	92.2	Very high	92	Very high	50 Å²	50	36 Å²	36	27%	0.267	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139.2	-179.1	-62	-32.8	0	0	0	110.4	N229	N229-N343 PolarHBondContact O-ND2 2.83Å
344	L	91.7	Very high	92.1	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.042	21%	0.205	C	C	.	.			trans	-104.2	166.5	168.5	-65.2	-177.2	0	0	0	110	I103 I216 T217 A254 Y320 P323 W342 L348	I103-L344 HydrophobicContact CD1-CD2 4.08Å; I216-L344 VanDerWaalsContact O-CD2 3.32Å; I216-L344 WeakPolarHBondContact O-CD2 3.21Å; T217-L344 CarbonylContact O-C 3.59Å; T217-L344 WeakPolarHBondContact O-CA 3.41Å; A254-L344 HydrophobicContact CB-CD1 3.78Å; A254-L344 HydrophobicContact CB-CD2 4.26Å; A254-L344 HydrophobicContact CB-CG 3.78Å; Y320-L344 WeakPolarHBondContact OH-CD1 3.29Å; P323-L344 HydrophobicContact CG-CD1 3.87Å; W342-L344 HydrophobicContact CZ2-CD2 4.48Å; W342-L344 VanDerWaalsContact NE1-CD2 3.35Å; L344-L348 HydrophobicContact CB-CB 4.11Å; L344-L348 HydrophobicContact CB-CD1 4.21Å; L344-L348 HydrophobicContact CD1-CB 4.17Å; L344-L348 HydrophobicContact CD1-CD1 4.08Å
345	S	90.8	Very high	92	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.063	20%	0.201	C	C	.	.			trans	-53.2	138.7	168.5	-177.6	0	0	0	0	110.2	T217 S347 L348	T217-S345 PolarHBondContact O-N 3.16Å; S345-S347 PolarHBondContact O-N 3.29Å; S345-S347 PolarHBondContact OG-OG 2.85Å; S345-S347 VanDerWaalsContact OG-OG 3.14Å; S345-L348 WeakPolarHBondContact O-CB 3.48Å; S345-L348 PolarHBondContact O-N 2.86Å
346	P	90.4	Very high	91.9	Very high	98 Å²	98	36.6 Å²	36.6	64%	0.636	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-52.9	-27.4	178.1	-29.1	35.7	0	0	0	114.2	L348 I349	P346-L348 PolarHBondContact O-N 3.14Å; P346-I349 PolarHBondContact O-N 3.2Å
347	S	91.1	Very high	91.5	Very high	93 Å²	93	38.8 Å²	38.8	65%	0.65	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-63.7	-21.6	175.7	62.6	0	0	0	0	114	S345	S345-S347 PolarHBondContact O-N 3.29Å; S345-S347 PolarHBondContact OG-OG 2.85Å; S345-S347 VanDerWaalsContact OG-OG 3.14Å
348	L	92.5	Very high	91.1	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-92.9	-7	177.7	-67.4	-178.6	0	0	0	113.7	I103 N106 L344 S345 P346 P350	I103-L348 HydrophobicContact CD1-CD1 4.03Å; I103-L348 HydrophobicContact CG1-CD1 4.34Å; N106-L348 PolarHBondContact ND2-O 3.03Å; L344-L348 HydrophobicContact CB-CB 4.11Å; L344-L348 HydrophobicContact CB-CD1 4.21Å; L344-L348 HydrophobicContact CD1-CB 4.17Å; L344-L348 HydrophobicContact CD1-CD1 4.08Å; S345-L348 WeakPolarHBondContact O-CB 3.48Å; S345-L348 PolarHBondContact O-N 2.86Å; P346-L348 PolarHBondContact O-N 3.14Å; L348-P350 WeakPolarHBondContact O-CD 3.45Å
349	I	93.7	Very high	90.6	Very high	41 Å²	41	43.9 Å²	43.9	21%	0.21	26%	0.255	C	S	.	.	S	Bend	trans	-87.1	112.8	178.3	-55.5	174	0	0	0	107.8	D252 P323 P346	D252-I349 HydrophobicContact CB-CD1 4.06Å; D252-I349 HydrophobicContact CB-CG2 4.22Å; P323-I349 HydrophobicContact CB-CG1 4.46Å; P323-I349 HydrophobicContact CB-CG2 4.44Å; P346-I349 PolarHBondContact O-N 3.2Å
350	P	92.6	Very high	90	Very high	25 Å²	25	47.1 Å²	47.1	16%	0.162	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-70	140.3	-175.3	29.1	-32	0	0	0	110.2	S271 R324 L348	S271-P350 WeakPolarHBondContact OG-CB 3.46Å; S271-P350 VanDerWaalsContact OG-CG 3.23Å; S271-P350 WeakPolarHBondContact OG-CG 3.48Å; R324-P350 HydrophobicContact CB-CG 4.18Å; R324-P350 VanDerWaalsContact CD-O 3.22Å; R324-P350 WeakPolarHBondContact CD-O 3.42Å; R324-P350 PolarHBondContact NH1-O 3.06Å; L348-P350 WeakPolarHBondContact O-CD 3.45Å
351	S	88.2	Confident	89.4	Confident	86 Å²	86	50.6 Å²	50.6	60%	0.601	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-63	149.4	175.2	60.1	0	0	0	0	111.6
352	W	82.7	Confident	88.8	Confident	113 Å²	113	53 Å²	53	43%	0.428	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-65.1	139	166.7	-66.6	115.3	0	0	0	109.5	H249 R324	H249-W352 AromaticContact CD2-CH2 3.94Å; H249-W352 AromaticContact CE1-CH2 3.23Å; H249-W352 WeakPolarHBondContact CE1-CH2 3.33Å; H249-W352 AromaticContact CE1-CZ2 3.69Å; H249-W352 AromaticContact ND1-CH2 3.62Å; H249-W352 AromaticContact NE2-CH2 3.39Å; H249-W352 WeakPolarHBondContact NE2-CH2 3.4Å; R324-W352 HydrophobicContact CB-CH2 3.77Å; R324-W352 HydrophobicContact CB-CZ2 4.26Å; R324-W352 HydrophobicContact CB-CZ3 4.22Å; R324-W352 VanDerWaalsContact CD-CZ2 3.47Å; R324-W352 HydrophobicContact CG-CH2 3.7Å; R324-W352 HydrophobicContact CG-CZ2 3.65Å; R324-W352 HydrophobicContact CG-CZ3 4.45Å; R324-W352 VanDerWaalsContact CZ-NE1 3.3Å
353	T	65.4	Low	88.3	Confident	99 Å²	99	57.5 Å²	57.5	61%	0.607	34%	0.338	S	S	*	.			trans	-132.3	0	-178.3	57.8	0	0	0	0	112.6	I272	I272-T353 WeakPolarHBondContact CA-OG1 3.49Å; I272-T353 HydrophobicContact CD1-CG2 3.67Å; I272-T353 WeakPolarHBondContact CD1-OG1 3.41Å

Retrieved 353 of 353 residues in 603.6 ms (Link to these results)

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