A0A3Q0KKR6_SCHMA Loading...

GpcrRhopsn4 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKR6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 694 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	39.3	Very low	42.2	Very low	214 Å²	214	118 Å²	118	100%	1.054	60%	0.601	S	S	*	*				0	-31.8	0	-83.4	173.1	165.4	0	0	114.3	S3	M1-S3 PolarHBondContact O-N 3.18Å
2	G	45.3	Very low	43.4	Very low	55 Å²	55	114.3 Å²	114.3	57%	0.567	59%	0.594	S	S	*	*	H	α-helix	trans	-67.9	-26.2	178	0	0	0	0	0	116.5
3	S	41.5	Very low	44	Very low	90 Å²	90	108.8 Å²	108.8	63%	0.629	56%	0.563	S	S	*	*	H	α-helix	trans	-72.1	-41.2	179.1	109.5	0	0	0	0	112.4	M1 W5 N6 D7	M1-S3 PolarHBondContact O-N 3.18Å; S3-W5 PolarHBondContact O-N 3.46Å; S3-N6 PolarHBondContact O-N 3.13Å; S3-D7 PolarHBondContact O-N 3.49Å
4	R	37.7	Very low	44.7	Very low	198 Å²	198	110.7 Å²	110.7	75%	0.747	56%	0.559	S	S	*	*	H	α-helix	trans	-62.3	-29.7	176.5	-102.7	-176.5	-179.8	178.8	0.6	113	L8	R4-L8 VanDerWaalsContact O-CD1 3.29Å; R4-L8 WeakPolarHBondContact O-CD1 3.28Å; R4-L8 PolarHBondContact O-N 3.13Å; R4-L8 VanDerWaalsContact O-N 3.16Å
5	W	34.8	Very low	45.6	Very low	182 Å²	182	113.6 Å²	113.6	69%	0.689	56%	0.56	S	S	*	*	H	α-helix	trans	-72.8	-30.6	179.1	-94.1	82.3	0	0	0	113.3	S3 K9	S3-W5 PolarHBondContact O-N 3.46Å; W5-K9 PolarHBondContact O-N 2.96Å
6	N	41.9	Very low	46.1	Very low	108 Å²	108	113 Å²	113	58%	0.578	56%	0.557	S	S	*	*	H	α-helix	trans	-76.2	-36.2	176.7	-71.7	-16.6	0	0	0	111.7	S3 K9 S10	S3-N6 PolarHBondContact O-N 3.13Å; N6-K9 PolarHBondContact O-N 3.16Å; N6-S10 PolarHBondContact O-N 3.03Å; N6-S10 VanDerWaalsContact O-N 3.12Å
7	D	42.5	Very low	46.5	Very low	101 Å²	101	109.4 Å²	109.4	54%	0.54	54%	0.541	S	S	.	.	H	α-helix	trans	-67	-38.3	173.9	-72.4	-33.4	0	0	0	112.4	S3 K9 S10 V11	S3-D7 PolarHBondContact O-N 3.49Å; D7-K9 PolarHBondContact O-N 2.78Å; D7-S10 WeakPolarHBondContact O-CB 3.49Å; D7-S10 PolarHBondContact O-N 3.11Å; D7-V11 WeakPolarHBondContact O-CG2 3.5Å; D7-V11 PolarHBondContact O-N 3Å
8	L	37.8	Very low	47	Very low	120 Å²	120	111.5 Å²	111.5	63%	0.628	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-37.5	174.7	-101.7	114	0	0	0	112.9	R4 S12	R4-L8 VanDerWaalsContact O-CD1 3.29Å; R4-L8 WeakPolarHBondContact O-CD1 3.28Å; R4-L8 PolarHBondContact O-N 3.13Å; R4-L8 VanDerWaalsContact O-N 3.16Å; L8-S12 WeakPolarHBondContact O-CB 3.28Å; L8-S12 PolarHBondContact O-N 2.64Å
9	K	46	Very low	47.6	Very low	139 Å²	139	112.9 Å²	112.9	60%	0.604	55%	0.546	S	S	*	.	H	α-helix	trans	-65.9	-39.5	174	-76.5	-179.5	178.4	179.1	0	112	W5 N6 D7 F13	W5-K9 PolarHBondContact O-N 2.96Å; N6-K9 PolarHBondContact O-N 3.16Å; D7-K9 PolarHBondContact O-N 2.78Å; K9-F13 WeakPolarHBondContact O-CB 3.43Å; K9-F13 PolarHBondContact O-N 3.24Å
10	S	48.5	Very low	48	Very low	24 Å²	24	112.1 Å²	112.1	17%	0.168	54%	0.544	C	S	.	.	H	α-helix	trans	-65	-43.6	179	144.8	0	0	0	0	113.1	N6 D7 R14 Y341	N6-S10 PolarHBondContact O-N 3.03Å; N6-S10 VanDerWaalsContact O-N 3.12Å; D7-S10 WeakPolarHBondContact O-CB 3.49Å; D7-S10 PolarHBondContact O-N 3.11Å; S10-R14 PolarHBondContact O-N 3.14Å; S10-R14 PolarHBondContact OG-NH2 3.48Å; S10-R14 VanDerWaalsContact OG-NH2 3.16Å; S10-Y341 WeakPolarHBondContact CA-OH 3.11Å; S10-Y341 VanDerWaalsContact CB-OH 3.23Å; S10-Y341 WeakPolarHBondContact CB-OH 3.47Å; S10-Y341 PolarHBondContact O-OH 3.35Å; S10-Y341 PolarHBondContact OG-OH 2.71Å
11	V	49.5	Very low	48.4	Very low	67 Å²	67	112.1 Å²	112.1	41%	0.406	54%	0.542	S	S	.	.	H	α-helix	trans	-77.8	-39.8	-179.4	176.7	0	0	0	0	111.3	D7 R15	D7-V11 WeakPolarHBondContact O-CG2 3.5Å; D7-V11 PolarHBondContact O-N 3Å; V11-R15 WeakPolarHBondContact O-CB 3.45Å; V11-R15 WeakPolarHBondContact O-CG 3.35Å; V11-R15 PolarHBondContact O-N 3.16Å; V11-R15 VanDerWaalsContact O-N 3.09Å
12	S	56.3	Low	49.4	Very low	74 Å²	74	106.4 Å²	106.4	52%	0.517	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-43	175.7	179.3	0	0	0	0	111.8	L8 R15 M16	L8-S12 WeakPolarHBondContact O-CB 3.28Å; L8-S12 PolarHBondContact O-N 2.64Å; S12-R15 PolarHBondContact O-N 3.08Å; S12-M16 VanDerWaalsContact O-CB 3.31Å; S12-M16 WeakPolarHBondContact O-CB 3.45Å; S12-M16 PolarHBondContact O-N 2.97Å
13	F	50.9	Low	50	Low	42 Å²	42	108.1 Å²	108.1	18%	0.184	51%	0.51	C	S	.	.	H	α-helix	trans	-67.6	-42.3	-179.8	-172.1	-103.1	0	0	0	113.1	K9 R15 M16 L17 L337 L346	K9-F13 WeakPolarHBondContact O-CB 3.43Å; K9-F13 PolarHBondContact O-N 3.24Å; F13-R15 VanDerWaalsContact C-N 3.32Å; F13-R15 PolarHBondContact O-N 3.36Å; F13-M16 PolarHBondContact O-N 3.18Å; F13-L17 WeakPolarHBondContact O-CB 3.29Å; F13-L17 PolarHBondContact O-N 3.14Å; F13-L337 HydrophobicContact CE1-CD2 4.38Å; F13-L337 HydrophobicContact CZ-CD2 4.39Å; F13-L346 HydrophobicContact CE1-CD2 4.37Å; F13-L346 HydrophobicContact CZ-CD2 4.31Å
14	R	54.5	Low	50.6	Low	136 Å²	136	104.9 Å²	104.9	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-37.5	175	-86.3	-173	-94.5	-152	-3.6	112.4	S10 K18 Y341	S10-R14 PolarHBondContact O-N 3.14Å; S10-R14 PolarHBondContact OG-NH2 3.48Å; S10-R14 VanDerWaalsContact OG-NH2 3.16Å; R14-K18 WeakPolarHBondContact O-CB 3.05Å; R14-K18 VanDerWaalsContact O-CG 3.29Å; R14-K18 WeakPolarHBondContact O-CG 3.48Å; R14-K18 PolarHBondContact O-N 2.76Å; R14-K18 VanDerWaalsContact O-N 3.17Å; R14-Y341 VanDerWaalsContact CZ-OH 3.23Å; R14-Y341 PolarHBondContact NE-OH 2.79Å; R14-Y341 VanDerWaalsContact NE-OH 3.16Å; R14-Y341 PolarHBondContact NH2-OH 3.23Å
15	R	57	Low	51.4	Low	154 Å²	154	101.2 Å²	101.2	58%	0.581	48%	0.477	S	S	*	.	H	α-helix	trans	-65.5	-50.2	172.3	-79.5	-178.5	-171.9	-176.7	2.4	110.3	V11 S12 F13 L17 K18 Y19	V11-R15 WeakPolarHBondContact O-CB 3.45Å; V11-R15 WeakPolarHBondContact O-CG 3.35Å; V11-R15 PolarHBondContact O-N 3.16Å; V11-R15 VanDerWaalsContact O-N 3.09Å; S12-R15 PolarHBondContact O-N 3.08Å; F13-R15 VanDerWaalsContact C-N 3.32Å; F13-R15 PolarHBondContact O-N 3.36Å; R15-L17 VanDerWaalsContact C-N 3.35Å; R15-L17 PolarHBondContact O-N 3.46Å; R15-K18 PolarHBondContact O-N 3.22Å; R15-Y19 VanDerWaalsContact C-CD2 3.42Å; R15-Y19 HydrophobicContact CB-CD2 3.94Å; R15-Y19 HydrophobicContact CB-CE2 3.74Å; R15-Y19 HydrophobicContact CG-CE2 4.16Å; R15-Y19 WeakPolarHBondContact O-CB 3.47Å; R15-Y19 WeakPolarHBondContact O-CD2 3.46Å; R15-Y19 PolarHBondContact O-N 3.5Å
16	M	53.9	Low	52.5	Low	104 Å²	104	95.8 Å²	95.8	51%	0.512	46%	0.463	S	S	.	.	H	α-helix	trans	-59.5	-42.4	-178.5	-166.5	-177.1	115.5	0	0	112.4	S12 F13 Y19 L20	S12-M16 VanDerWaalsContact O-CB 3.31Å; S12-M16 WeakPolarHBondContact O-CB 3.45Å; S12-M16 PolarHBondContact O-N 2.97Å; F13-M16 PolarHBondContact O-N 3.18Å; M16-Y19 PolarHBondContact O-N 3.13Å; M16-L20 HydrophobicContact CE-CD1 3.84Å; M16-L20 HydrophobicContact CG-CD1 4.1Å; M16-L20 VanDerWaalsContact O-CB 3.29Å; M16-L20 WeakPolarHBondContact O-CB 3.41Å; M16-L20 VanDerWaalsContact O-CG 3.24Å; M16-L20 WeakPolarHBondContact O-CG 3.41Å; M16-L20 PolarHBondContact O-N 3.44Å
17	L	53.9	Low	53.1	Low	52 Å²	52	92.8 Å²	92.8	27%	0.272	45%	0.449	S	S	.	.	H	α-helix	trans	-69.6	-40.7	178.3	-158.7	77.2	0	0	0	112.2	F13 R15 L20 F21 Y354	F13-L17 WeakPolarHBondContact O-CB 3.29Å; F13-L17 PolarHBondContact O-N 3.14Å; R15-L17 VanDerWaalsContact C-N 3.35Å; R15-L17 PolarHBondContact O-N 3.46Å; L17-L20 PolarHBondContact O-N 3.03Å; L17-F21 WeakPolarHBondContact O-CB 3.47Å; L17-F21 PolarHBondContact O-N 2.9Å; L17-Y354 HydrophobicContact CD1-CE1 3.71Å
18	K	55.5	Low	53.6	Low	147 Å²	147	89.2 Å²	89.2	64%	0.639	43%	0.432	S	S	*	.	H	α-helix	trans	-63.5	-44.5	172.6	-76.7	-177.4	176.7	-169	0	111.5	R14 R15 F21 I22	R14-K18 WeakPolarHBondContact O-CB 3.05Å; R14-K18 VanDerWaalsContact O-CG 3.29Å; R14-K18 WeakPolarHBondContact O-CG 3.48Å; R14-K18 PolarHBondContact O-N 2.76Å; R14-K18 VanDerWaalsContact O-N 3.17Å; R15-K18 PolarHBondContact O-N 3.22Å; K18-F21 PolarHBondContact O-N 3.16Å; K18-I22 HydrophobicContact CB-CD1 4.49Å; K18-I22 VanDerWaalsContact O-CB 3.28Å; K18-I22 WeakPolarHBondContact O-CB 3.45Å; K18-I22 WeakPolarHBondContact O-CD1 3.34Å; K18-I22 WeakPolarHBondContact O-CG1 3.3Å; K18-I22 PolarHBondContact O-N 3.38Å
19	Y	58.6	Low	54.4	Low	138 Å²	138	87.9 Å²	87.9	54%	0.541	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-41.1	176.6	-73.4	-60.4	0	0	0	111	R15 M16 F21 I22 I23	R15-Y19 VanDerWaalsContact C-CD2 3.42Å; R15-Y19 HydrophobicContact CB-CD2 3.94Å; R15-Y19 HydrophobicContact CB-CE2 3.74Å; R15-Y19 HydrophobicContact CG-CE2 4.16Å; R15-Y19 WeakPolarHBondContact O-CB 3.47Å; R15-Y19 WeakPolarHBondContact O-CD2 3.46Å; R15-Y19 PolarHBondContact O-N 3.5Å; M16-Y19 PolarHBondContact O-N 3.13Å; Y19-F21 VanDerWaalsContact C-N 3.35Å; Y19-F21 PolarHBondContact O-N 2.88Å; Y19-I22 PolarHBondContact O-N 3.24Å; Y19-I23 WeakPolarHBondContact O-CA 3.4Å; Y19-I23 WeakPolarHBondContact O-CB 3.43Å; Y19-I23 VanDerWaalsContact O-CD1 3.28Å; Y19-I23 WeakPolarHBondContact O-CD1 3.32Å; Y19-I23 WeakPolarHBondContact O-CG1 3.19Å; Y19-I23 PolarHBondContact O-N 3.2Å
20	L	55.7	Low	54.8	Low	96 Å²	96	85.1 Å²	85.1	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-62.5	-41.5	175.2	-79.3	165.5	0	0	0	111.9	M16 L17 S24	M16-L20 HydrophobicContact CE-CD1 3.84Å; M16-L20 HydrophobicContact CG-CD1 4.1Å; M16-L20 VanDerWaalsContact O-CB 3.29Å; M16-L20 WeakPolarHBondContact O-CB 3.41Å; M16-L20 VanDerWaalsContact O-CG 3.24Å; M16-L20 WeakPolarHBondContact O-CG 3.41Å; M16-L20 PolarHBondContact O-N 3.44Å; L17-L20 PolarHBondContact O-N 3.03Å; L20-S24 WeakPolarHBondContact O-CA 3.46Å; L20-S24 WeakPolarHBondContact O-CB 3.21Å; L20-S24 PolarHBondContact O-N 3.22Å
21	F	54.6	Low	54.8	Low	114 Å²	114	86.2 Å²	86.2	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-71.2	-42.3	178	-148.7	-90.4	0	0	0	112.3	L17 K18 Y19 F25 F330	L17-F21 WeakPolarHBondContact O-CB 3.47Å; L17-F21 PolarHBondContact O-N 2.9Å; K18-F21 PolarHBondContact O-N 3.16Å; Y19-F21 VanDerWaalsContact C-N 3.35Å; Y19-F21 PolarHBondContact O-N 2.88Å; F21-F25 WeakPolarHBondContact O-CB 3.42Å; F21-F25 PolarHBondContact O-N 3.45Å; F21-F330 AromaticContact CE2-CE1 3.81Å; F21-F330 HydrophobicContact CE2-CE1 3.81Å; F21-F330 AromaticContact CE2-CZ 3.89Å; F21-F330 HydrophobicContact CE2-CZ 3.89Å; F21-F330 HydrophobicContact CZ-CE1 4.5Å
22	I	60.6	Low	54.6	Low	93 Å²	93	87 Å²	87	48%	0.477	43%	0.427	S	S	.	.	H	α-helix	trans	-66.5	-48.6	176.2	-67.6	164.5	0	0	0	109.7	K18 Y19 S24 F25 T26	K18-I22 HydrophobicContact CB-CD1 4.49Å; K18-I22 VanDerWaalsContact O-CB 3.28Å; K18-I22 WeakPolarHBondContact O-CB 3.45Å; K18-I22 WeakPolarHBondContact O-CD1 3.34Å; K18-I22 WeakPolarHBondContact O-CG1 3.3Å; K18-I22 PolarHBondContact O-N 3.38Å; Y19-I22 PolarHBondContact O-N 3.24Å; I22-S24 PolarHBondContact O-N 3.28Å; I22-F25 PolarHBondContact O-N 3.41Å; I22-T26 HydrophobicContact CG2-CG2 3.98Å; I22-T26 WeakPolarHBondContact O-CB 3.45Å; I22-T26 VanDerWaalsContact O-CG2 3.24Å; I22-T26 WeakPolarHBondContact O-CG2 3.36Å; I22-T26 PolarHBondContact O-N 3.48Å; I22-T26 PolarHBondContact O-OG1 2.98Å
23	I	57.4	Low	54	Low	92 Å²	92	90.7 Å²	90.7	47%	0.472	44%	0.441	S	S	.	.	H	α-helix	trans	-60.5	-46.2	176.9	-67.7	164	0	0	0	109.6	Y19 F25 T26 V27	Y19-I23 WeakPolarHBondContact O-CA 3.4Å; Y19-I23 WeakPolarHBondContact O-CB 3.43Å; Y19-I23 VanDerWaalsContact O-CD1 3.28Å; Y19-I23 WeakPolarHBondContact O-CD1 3.32Å; Y19-I23 WeakPolarHBondContact O-CG1 3.19Å; Y19-I23 PolarHBondContact O-N 3.2Å; I23-F25 PolarHBondContact O-N 2.7Å; I23-T26 WeakPolarHBondContact CA-OG1 3.34Å; I23-T26 PolarHBondContact O-N 2.74Å; I23-T26 PolarHBondContact O-OG1 3.27Å; I23-V27 HydrophobicContact CG2-CG2 3.77Å; I23-V27 WeakPolarHBondContact O-CA 3.19Å; I23-V27 WeakPolarHBondContact O-CB 3.23Å; I23-V27 WeakPolarHBondContact O-CG2 3.45Å; I23-V27 PolarHBondContact O-N 3.47Å
24	S	54.3	Low	53.3	Low	21 Å²	21	92 Å²	92	15%	0.147	45%	0.45	C	S	.	.	H	α-helix	trans	-57.5	-47.9	175.4	163.1	0	0	0	0	112.2	L20 I22 S28 L362	L20-S24 WeakPolarHBondContact O-CA 3.46Å; L20-S24 WeakPolarHBondContact O-CB 3.21Å; L20-S24 PolarHBondContact O-N 3.22Å; I22-S24 PolarHBondContact O-N 3.28Å; S24-S28 VanDerWaalsContact O-CB 3.28Å; S24-S28 WeakPolarHBondContact O-CB 3.39Å; S24-S28 PolarHBondContact O-N 3.16Å; S24-S28 PolarHBondContact O-OG 3.36Å; S24-L362 WeakPolarHBondContact OG-CD1 3.37Å; S24-L362 VanDerWaalsContact OG-CD2 3.3Å; S24-L362 WeakPolarHBondContact OG-CD2 3.43Å
25	F	56	Low	52.2	Low	122 Å²	122	88.6 Å²	88.6	54%	0.535	45%	0.446	S	S	.	.	H	α-helix	trans	-68.6	-43.2	179.4	-170.9	-106	0	0	0	112	F21 I22 I23 S28 L29	F21-F25 WeakPolarHBondContact O-CB 3.42Å; F21-F25 PolarHBondContact O-N 3.45Å; I22-F25 PolarHBondContact O-N 3.41Å; I23-F25 PolarHBondContact O-N 2.7Å; F25-S28 PolarHBondContact O-N 2.69Å; F25-L29 HydrophobicContact CD1-CD1 3.56Å; F25-L29 HydrophobicContact CE1-CD1 3.25Å; F25-L29 HydrophobicContact CE2-CD1 4.26Å; F25-L29 HydrophobicContact CG-CD1 4.19Å; F25-L29 HydrophobicContact CZ-CD1 3.64Å; F25-L29 WeakPolarHBondContact O-CB 3.41Å; F25-L29 PolarHBondContact O-N 3.33Å
26	T	56.7	Low	51.2	Low	67 Å²	67	85 Å²	85	41%	0.411	44%	0.441	S	S	.	.	H	α-helix	trans	-71.3	-35.9	178.2	58.5	0	0	0	0	112.1	I22 I23 L29 S30	I22-T26 HydrophobicContact CG2-CG2 3.98Å; I22-T26 WeakPolarHBondContact O-CB 3.45Å; I22-T26 VanDerWaalsContact O-CG2 3.24Å; I22-T26 WeakPolarHBondContact O-CG2 3.36Å; I22-T26 PolarHBondContact O-N 3.48Å; I22-T26 PolarHBondContact O-OG1 2.98Å; I23-T26 WeakPolarHBondContact CA-OG1 3.34Å; I23-T26 PolarHBondContact O-N 2.74Å; I23-T26 PolarHBondContact O-OG1 3.27Å; T26-L29 CarbonylContact O-C 3.55Å; T26-L29 PolarHBondContact O-N 3.24Å; T26-S30 WeakPolarHBondContact O-CA 3.09Å; T26-S30 WeakPolarHBondContact O-CB 3.42Å; T26-S30 PolarHBondContact O-N 3.06Å; T26-S30 PolarHBondContact O-OG 3.45Å
27	V	55.3	Low	50.3	Low	45 Å²	45	81.5 Å²	81.5	27%	0.273	43%	0.427	S	S	.	.	H	α-helix	trans	-69.1	-37.5	174.7	169.4	0	0	0	0	110.2	I23 L29 S30 H31 L387	I23-V27 HydrophobicContact CG2-CG2 3.77Å; I23-V27 WeakPolarHBondContact O-CA 3.19Å; I23-V27 WeakPolarHBondContact O-CB 3.23Å; I23-V27 WeakPolarHBondContact O-CG2 3.45Å; I23-V27 PolarHBondContact O-N 3.47Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-S30 WeakPolarHBondContact CA-OG 3.25Å; V27-H31 PolarHBondContact O-CD2 2.85Å; V27-H31 PolarHBondContact O-N 2.88Å; V27-L387 HydrophobicContact CG1-CD2 4.35Å
28	S	51.7	Low	50.1	Low	26 Å²	26	80.1 Å²	80.1	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-67.3	-34.9	174	-55.5	0	0	0	0	112	S24 F25	S24-S28 VanDerWaalsContact O-CB 3.28Å; S24-S28 WeakPolarHBondContact O-CB 3.39Å; S24-S28 PolarHBondContact O-N 3.16Å; S24-S28 PolarHBondContact O-OG 3.36Å; F25-S28 PolarHBondContact O-N 2.69Å
29	L	54.6	Low	50.3	Low	92 Å²	92	73.8 Å²	73.8	48%	0.482	39%	0.392	S	S	.	.	H	α-helix	trans	-80.2	-33.6	174.8	-81.9	156.9	0	0	0	113.4	F25 T26 V27 H31 L32	F25-L29 HydrophobicContact CD1-CD1 3.56Å; F25-L29 HydrophobicContact CE1-CD1 3.25Å; F25-L29 HydrophobicContact CE2-CD1 4.26Å; F25-L29 HydrophobicContact CG-CD1 4.19Å; F25-L29 HydrophobicContact CZ-CD1 3.64Å; F25-L29 WeakPolarHBondContact O-CB 3.41Å; F25-L29 PolarHBondContact O-N 3.33Å; T26-L29 CarbonylContact O-C 3.55Å; T26-L29 PolarHBondContact O-N 3.24Å; V27-L29 VanDerWaalsContact C-N 3.34Å; L29-H31 VanDerWaalsContact C-N 3.33Å; L29-H31 PolarHBondContact O-N 3.47Å; L29-L32 HydrophobicContact CD2-CD1 4.05Å; L29-L32 WeakPolarHBondContact O-CD1 3.49Å
30	S	54.8	Low	50.6	Low	81 Å²	81	69.4 Å²	69.4	57%	0.566	38%	0.376	S	S	*	.	H	α-helix	trans	-83.7	-7.3	-175.6	69.1	0	0	0	0	113.8	T26 V27	T26-S30 WeakPolarHBondContact O-CA 3.09Å; T26-S30 WeakPolarHBondContact O-CB 3.42Å; T26-S30 PolarHBondContact O-N 3.06Å; T26-S30 PolarHBondContact O-OG 3.45Å; V27-S30 WeakPolarHBondContact CA-OG 3.25Å
31	H	49.3	Very low	51.4	Low	47 Å²	47	67 Å²	67	22%	0.218	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	21.2	174.8	-77.9	-60.2	0	0	0	113.8	V27 L29 D33 F383 N384	V27-H31 PolarHBondContact O-CD2 2.85Å; V27-H31 PolarHBondContact O-N 2.88Å; L29-H31 VanDerWaalsContact C-N 3.33Å; L29-H31 PolarHBondContact O-N 3.47Å; H31-D33 PolarHBondContact O-N 3.26Å; H31-F383 AromaticContact CD2-CE1 3.94Å; H31-F383 AromaticContact CE1-CE1 3.68Å; H31-F383 AromaticContact CG-CE1 3.86Å; H31-F383 AromaticContact ND1-CE1 3.69Å; H31-F383 AromaticContact NE2-CE1 3.84Å; H31-N384 PolarHBondContact O-ND2 3.43Å
32	L	45.5	Very low	52.3	Low	85 Å²	85	62.4 Å²	62.4	45%	0.445	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.2	170.9	-82	160.6	0	0	0	113.4	L29 T369	L29-L32 HydrophobicContact CD2-CD1 4.05Å; L29-L32 WeakPolarHBondContact O-CD1 3.49Å; L32-T369 HydrophobicContact CD2-CG2 4.34Å
33	D	42.5	Very low	53	Low	151 Å²	151	60.9 Å²	60.9	81%	0.807	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	9.6	-171.2	-72.7	-22.5	0	0	0	116.8	H31 C35	H31-D33 PolarHBondContact O-N 3.26Å; D33-C35 PolarHBondContact O-N 3.41Å
34	N	37.7	Very low	53.9	Low	69 Å²	69	57.2 Å²	57.2	37%	0.369	33%	0.327	S	S	.	.			trans	-102.2	62.3	174.8	-86.7	-9.1	0	0	0	112.9	T36 N381	N34-T36 PolarHBondContact O-N 3.49Å; N34-T36 VanDerWaalsContact O-N 3.17Å; N34-N381 WeakPolarHBondContact O-CB 3.49Å; N34-N381 PolarHBondContact O-ND2 3.19Å; N34-N381 PolarHBondContact O-OD1 2.74Å; N34-N381 VanDerWaalsContact O-OD1 3.06Å
35	C	31.4	Very low	54.8	Low	65 Å²	65	59 Å²	59	44%	0.439	34%	0.335	S	S	.	.			trans	-71.5	105.8	171.6	-72.5	0	0	0	0	111.1	D33	D33-C35 PolarHBondContact O-N 3.41Å
36	T	36.1	Very low	55.6	Low	78 Å²	78	53.7 Å²	53.7	48%	0.479	31%	0.312	S	S	.	.			trans	-106	125.4	161.5	44.2	0	0	0	0	108.3	N34 F380 N381 S382	N34-T36 PolarHBondContact O-N 3.49Å; N34-T36 VanDerWaalsContact O-N 3.17Å; T36-F380 CarbonylContact O-C 3.5Å; T36-F380 VanDerWaalsContact O-C 3.27Å; T36-F380 VanDerWaalsContact O-CA 3.26Å; T36-F380 WeakPolarHBondContact O-CA 3.45Å; T36-F380 WeakPolarHBondContact O-CB 3.42Å; T36-F380 PolarHBondContact O-N 3.39Å; T36-N381 PolarHBondContact O-N 2.9Å; T36-S382 PolarHBondContact OG1-N 3.4Å; T36-S382 VanDerWaalsContact OG1-N 3.1Å
37	S	34.1	Very low	55.7	Low	31 Å²	31	52.8 Å²	52.8	22%	0.217	31%	0.305	C	S	.	.			trans	-68.6	149.4	-159.8	61.5	0	0	0	0	116.8	I39 S41 Y379 F380	S37-I39 VanDerWaalsContact C-N 3.28Å; S37-I39 CarbonylContact C-O 3.54Å; S37-I39 WeakPolarHBondContact CB-O 3.28Å; S37-I39 PolarHBondContact OG-O 3.44Å; S37-S41 PolarHBondContact OG-OG 3.49Å; S37-Y379 VanDerWaalsContact CA-CD1 3.45Å; S37-F380 VanDerWaalsContact C-N 3.27Å
38	E	49.8	Very low	55.8	Low	23 Å²	23	56.2 Å²	56.2	11%	0.107	32%	0.318	C	S	.	.	S	Bend	trans	-104.3	31.4	150.1	-127.2	176	132.1	0	0	109.8	F374 G378 F380 R447	E38-F374 HydrophobicContact CB-CD2 3.7Å; E38-F374 HydrophobicContact CB-CE2 3.09Å; E38-F374 HydrophobicContact CB-CZ 3.72Å; E38-F374 HydrophobicContact CG-CE2 3.96Å; E38-F374 HydrophobicContact CG-CZ 4.1Å; E38-F374 WeakPolarHBondContact OE2-CZ 3.2Å; E38-G378 CarbonylContact C-O 3.49Å; E38-G378 WeakPolarHBondContact CA-O 3.34Å; E38-G378 WeakPolarHBondContact CB-O 3.37Å; E38-G378 PolarHBondContact N-O 2.8Å; E38-F380 HydrophobicContact CB-CB 3.64Å; E38-F380 HydrophobicContact CG-CB 3.91Å; E38-F380 HydrophobicContact CG-CG 4.35Å; E38-F380 WeakPolarHBondContact OE2-CD2 3.5Å; E38-R447 IonicContact OE1-NH2 2.65Å; E38-R447 PolarHBondContact OE1-NH2 3.01Å; E38-R447 IonicContact OE2-CZ 3.36Å; E38-R447 IonicContact OE2-NH2 2.7Å; E38-R447 PolarHBondContact OE2-NH2 2.85Å
39	I	59.6	Low	55.9	Low	14 Å²	14	58.3 Å²	58.3	7%	0.072	33%	0.325	C	S	.	.	S	Bend	trans	-81.7	123	134.2	-52.4	179.2	0	0	0	103.5	S37 S41 R292 T294 G378 Y379	S37-I39 VanDerWaalsContact C-N 3.28Å; S37-I39 CarbonylContact C-O 3.54Å; S37-I39 WeakPolarHBondContact CB-O 3.28Å; S37-I39 PolarHBondContact OG-O 3.44Å; I39-S41 VanDerWaalsContact C-N 3.34Å; I39-S41 PolarHBondContact O-N 2.87Å; I39-R292 HydrophobicContact CB-CG 4.38Å; I39-R292 VanDerWaalsContact CD1-NH2 3.33Å; I39-R292 HydrophobicContact CG2-CB 4.39Å; I39-R292 HydrophobicContact CG2-CG 3.17Å; I39-T294 HydrophobicContact CB-CG2 4.22Å; I39-T294 HydrophobicContact CD1-CG2 3.98Å; I39-T294 HydrophobicContact CG1-CG2 3.89Å; I39-T294 HydrophobicContact CG2-CG2 3.44Å; I39-T294 VanDerWaalsContact CG2-CG2 3.44Å; I39-G378 PolarHBondContact N-O 3.16Å; I39-G378 VanDerWaalsContact N-O 3.07Å; I39-Y379 HydrophobicContact CD1-CE1 4.05Å; I39-Y379 HydrophobicContact CD1-CE2 4.15Å
40	F	64.5	Low	56	Low	46 Å²	46	56.2 Å²	56.2	20%	0.202	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	102.1	176.6	-70.5	-89.5	0	0	0	106.8	A54 K55 F56 Y291 R292 L293 L295	F40-A54 HydrophobicContact CB-CB 4.08Å; F40-A54 HydrophobicContact CD1-CB 3.71Å; F40-A54 HydrophobicContact CD2-CB 4.13Å; F40-A54 HydrophobicContact CE1-CB 4.14Å; F40-A54 HydrophobicContact CG-CB 3.7Å; F40-K55 WeakPolarHBondContact CZ-O 3.17Å; F40-F56 HydrophobicContact CE2-CD2 4.47Å; F40-Y291 HydrophobicContact CB-CE2 4.18Å; F40-Y291 WeakPolarHBondContact O-CD2 3.43Å; F40-Y291 WeakPolarHBondContact O-CE2 3.25Å; F40-R292 CarbonylContact O-C 3.49Å; F40-R292 VanDerWaalsContact O-CA 3.26Å; F40-R292 WeakPolarHBondContact O-CA 3.37Å; F40-L293 HydrophobicContact CB-CB 4.16Å; F40-L293 PolarHBondContact N-O 3.37Å; F40-L293 PolarHBondContact O-N 3.41Å; F40-L295 HydrophobicContact CD2-CD1 3.86Å; F40-L295 HydrophobicContact CD2-CG 4.46Å; F40-L295 HydrophobicContact CE2-CD1 3.73Å
41	S	71.9	Confident	56.3	Low	46 Å²	46	56.3 Å²	56.3	32%	0.322	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.9	-179	74.9	0	0	0	0	109.7	S37 I39 Y291	S37-S41 PolarHBondContact OG-OG 3.49Å; I39-S41 VanDerWaalsContact C-N 3.34Å; I39-S41 PolarHBondContact O-N 2.87Å; S41-Y291 VanDerWaalsContact CA-O 3.23Å; S41-Y291 WeakPolarHBondContact CA-O 3.44Å
42	G	74	Confident	57.4	Low	17 Å²	17	56.5 Å²	56.5	18%	0.175	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-171.8	-176	0	0	0	0	0	111.7	A290 Y291	G42-A290 WeakPolarHBondContact O-CA 3.48Å; G42-Y291 PolarHBondContact N-O 3.38Å; G42-Y291 VanDerWaalsContact N-O 3.15Å; G42-Y291 WeakPolarHBondContact O-CD1 3.37Å; G42-Y291 WeakPolarHBondContact O-CE1 3.1Å; G42-Y291 PolarHBondContact O-N 2.94Å
43	I	76.7	Confident	58.8	Low	61 Å²	61	54 Å²	54	31%	0.313	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.1	179.4	-61.8	155.6	0	0	0	107	M219 Y223 K288 I289	I43-M219 HydrophobicContact CD1-CG 4.28Å; I43-M219 HydrophobicContact CG1-CG 4.2Å; I43-M219 HydrophobicContact CG1-SD 4.28Å; I43-Y223 HydrophobicContact CD1-CD2 3.76Å; I43-Y223 HydrophobicContact CD1-CG 3.71Å; I43-Y223 HydrophobicContact CG2-CD1 4.31Å; I43-Y223 HydrophobicContact CG2-CG 4.36Å; I43-K288 HydrophobicContact CG2-CB 3.75Å; I43-K288 HydrophobicContact CG2-CD 3.6Å; I43-K288 HydrophobicContact CG2-CG 4.31Å; I43-I289 CarbonylContact C-O 3.53Å; I43-I289 WeakPolarHBondContact CA-O 3.44Å
44	A	75.6	Confident	60.4	Low	14 Å²	14	47 Å²	47	12%	0.116	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	144.5	177.5	0	0	0	0	0	110.4	F262 K288 I289 Y291	A44-F262 HydrophobicContact CB-CD2 3.8Å; A44-F262 HydrophobicContact CB-CE2 3.73Å; A44-K288 WeakPolarHBondContact O-CA 3.35Å; A44-I289 PolarHBondContact N-O 3.48Å; A44-I289 PolarHBondContact O-N 2.83Å; A44-Y291 HydrophobicContact CB-CD1 3.87Å; A44-Y291 HydrophobicContact CB-CE1 3.82Å
45	D	73.2	Confident	62.3	Low	58 Å²	58	44.7 Å²	44.7	31%	0.31	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.8	170.3	-162.4	-34.9	0	0	0	109.2	N47	D45-N47 PolarHBondContact O-N 3.12Å; D45-N47 WeakPolarHBondContact OD1-CB 3.3Å; D45-N47 PolarHBondContact OD1-N 3.35Å; D45-N47 PolarHBondContact OD1-ND2 3.16Å
46	L	71.6	Confident	64.7	Low	11 Å²	11	41.9 Å²	41.9	6%	0.058	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.3	177.6	-83.7	135.8	0	0	0	113.1	H48 A75 V78 F262 N287 I289	L46-H48 VanDerWaalsContact C-N 3.26Å; L46-H48 PolarHBondContact O-N 3.12Å; L46-A75 HydrophobicContact CD1-CB 3.96Å; L46-V78 HydrophobicContact CD2-CG1 4.01Å; L46-V78 HydrophobicContact CD2-CG2 3.87Å; L46-F262 HydrophobicContact CD2-CB 4.41Å; L46-N287 HydrophobicContact CB-CB 4.03Å; L46-N287 WeakPolarHBondContact CB-O 3.27Å; L46-N287 HydrophobicContact CD1-CB 4.02Å; L46-N287 VanDerWaalsContact CD1-O 3.29Å; L46-N287 WeakPolarHBondContact CD1-O 3.47Å; L46-N287 PolarHBondContact N-O 3.32Å; L46-I289 HydrophobicContact CD1-CD1 3.54Å; L46-I289 HydrophobicContact CD1-CG1 3.46Å; L46-I289 VanDerWaalsContact CD1-CG1 3.46Å; L46-I289 HydrophobicContact CD2-CD1 3.72Å; L46-I289 HydrophobicContact CG-CD1 3.59Å; L46-I289 HydrophobicContact CG-CG1 3.97Å
47	N	59.3	Low	66.8	Low	48 Å²	48	38.3 Å²	38.3	26%	0.257	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.3	-174.8	-60.9	-45.1	0	0	0	112.5	D45 E49 F284 N287	D45-N47 PolarHBondContact O-N 3.12Å; D45-N47 WeakPolarHBondContact OD1-CB 3.3Å; D45-N47 PolarHBondContact OD1-N 3.35Å; D45-N47 PolarHBondContact OD1-ND2 3.16Å; N47-E49 PolarHBondContact O-N 2.99Å; N47-F284 PolarHBondContact ND2-O 3.26Å; N47-N287 PolarHBondContact OD1-ND2 3.33Å
48	H	58.3	Low	69.2	Low	117 Å²	117	36.8 Å²	36.8	54%	0.542	20%	0.195	S	C	.	.			trans	-92.6	73.9	173	-79.1	-82.2	0	0	0	110.5	L46 S50 D51	L46-H48 VanDerWaalsContact C-N 3.26Å; L46-H48 PolarHBondContact O-N 3.12Å; H48-S50 PolarHBondContact O-N 3.03Å; H48-D51 PolarHBondContact O-N 3.38Å
49	E	54.2	Low	70.4	Confident	70 Å²	70	37.5 Å²	37.5	33%	0.327	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-2.4	-175.7	-71.3	-177.3	177.8	0	0	116.2	N47 R104	N47-E49 PolarHBondContact O-N 2.99Å; E49-R104 PolarHBondContact O-NH1 3.28Å; E49-R104 PolarHBondContact O-NH2 2.8Å; E49-R104 VanDerWaalsContact O-NH2 3.1Å
50	S	55.1	Low	70.9	Confident	49 Å²	49	38.4 Å²	38.4	34%	0.343	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-6.3	-172.8	62.4	0	0	0	0	115.2	H48	H48-S50 PolarHBondContact O-N 3.03Å
51	D	62.8	Low	71.1	Confident	83 Å²	83	39.9 Å²	39.9	44%	0.444	22%	0.222	S	C	.	.			trans	-104.7	120.9	-172.5	-60.4	-8.9	0	0	0	108.6	H48 T261	H48-D51 PolarHBondContact O-N 3.38Å; D51-T261 PolarHBondContact O-OG1 3.02Å
52	Y	70.7	Confident	71.6	Confident	50 Å²	50	40.9 Å²	40.9	20%	0.196	22%	0.224	C	C	.	.			trans	-75.1	139.8	171.4	57.4	-89	0	0	0	108.5	K55 F259 F260 Y448 V450	Y52-K55 HydrophobicContact CD2-CB 4.5Å; Y52-K55 HydrophobicContact CE2-CB 4.48Å; Y52-K55 HydrophobicContact CE2-CD 4.39Å; Y52-F259 HydrophobicContact CD1-CD1 4.35Å; Y52-F259 HydrophobicContact CD2-CD1 4.2Å; Y52-F259 HydrophobicContact CE1-CD1 4.5Å; Y52-F259 HydrophobicContact CE2-CD1 4.35Å; Y52-F259 HydrophobicContact CG-CD1 4.19Å; Y52-F260 CarbonylContact C-O 3.52Å; Y52-F260 VanDerWaalsContact CA-O 3.24Å; Y52-F260 WeakPolarHBondContact CA-O 3.45Å; Y52-F260 VanDerWaalsContact CB-O 3.29Å; Y52-F260 WeakPolarHBondContact CB-O 3.12Å; Y52-Y448 PolarHBondContact OH-O 3.42Å; Y52-V450 WeakPolarHBondContact OH-CA 3.31Å; Y52-V450 PolarHBondContact OH-N 3.48Å
53	F	75	Confident	72.1	Confident	34 Å²	34	40.1 Å²	40.1	15%	0.149	22%	0.216	C	C	.	.	S	Bend	trans	-96.6	-17.9	-179.1	64	-98.4	0	0	0	112.3	L80 F260 F262 Y291 L293	F53-L80 HydrophobicContact CE1-CD1 3.9Å; F53-L80 HydrophobicContact CZ-CD1 3.66Å; F53-F260 WeakPolarHBondContact CD1-O 3.31Å; F53-F260 HydrophobicContact CE1-CB 4.06Å; F53-F260 HydrophobicContact CE2-CB 4.06Å; F53-F260 HydrophobicContact CZ-CB 3.69Å; F53-F260 PolarHBondContact N-O 3.03Å; F53-F262 AromaticContact CD1-CD2 3.67Å; F53-F262 HydrophobicContact CD1-CD2 3.67Å; F53-F262 AromaticContact CD1-CE2 3.53Å; F53-F262 HydrophobicContact CD1-CE2 3.53Å; F53-F262 HydrophobicContact CD1-CZ 4.3Å; F53-F262 HydrophobicContact CE1-CD1 4.38Å; F53-F262 AromaticContact CE1-CD2 3.58Å; F53-F262 HydrophobicContact CE1-CD2 3.58Å; F53-F262 HydrophobicContact CE1-CE1 4.15Å; F53-F262 AromaticContact CE1-CE2 3.29Å; F53-F262 HydrophobicContact CE1-CE2 3.29Å; F53-F262 HydrophobicContact CE1-CG 4.12Å; F53-F262 AromaticContact CE1-CZ 3.61Å; F53-F262 HydrophobicContact CE1-CZ 3.61Å; F53-F262 HydrophobicContact CG-CE2 4.26Å; F53-F262 HydrophobicContact CZ-CE1 4.41Å; F53-F262 AromaticContact CZ-CE2 3.86Å; F53-F262 HydrophobicContact CZ-CE2 3.86Å; F53-F262 AromaticContact CZ-CZ 3.79Å; F53-F262 HydrophobicContact CZ-CZ 3.79Å; F53-Y291 HydrophobicContact CB-CE1 4.24Å; F53-Y291 HydrophobicContact CD2-CD1 4.48Å; F53-Y291 AromaticContact CD2-CD2 3.72Å; F53-Y291 HydrophobicContact CD2-CD2 3.72Å; F53-Y291 HydrophobicContact CD2-CE1 4.26Å; F53-Y291 AromaticContact CD2-CE2 3.46Å; F53-Y291 HydrophobicContact CD2-CE2 3.46Å; F53-Y291 VanDerWaalsContact CD2-CE2 3.46Å; F53-Y291 HydrophobicContact CD2-CG 4.24Å; F53-Y291 AromaticContact CD2-CZ 3.75Å; F53-Y291 AromaticContact CE2-CD2 3.79Å; F53-Y291 HydrophobicContact CE2-CD2 3.79Å; F53-Y291 AromaticContact CE2-CE2 4Å; F53-Y291 HydrophobicContact CE2-CE2 4Å; F53-Y291 HydrophobicContact CE2-CG 4.28Å; F53-Y291 HydrophobicContact CG-CE1 4.38Å; F53-Y291 HydrophobicContact CG-CE2 4.32Å; F53-L293 HydrophobicContact CE2-CB 4.42Å; F53-L293 HydrophobicContact CE2-CD2 3.87Å; F53-L293 HydrophobicContact CZ-CD2 4.44Å
54	A	76.4	Confident	72.5	Confident	3 Å²	3	37.9 Å²	37.9	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.1	177.2	0	0	0	0	0	111.2	F40 F260 L293	F40-A54 HydrophobicContact CB-CB 4.08Å; F40-A54 HydrophobicContact CD1-CB 3.71Å; F40-A54 HydrophobicContact CD2-CB 4.13Å; F40-A54 HydrophobicContact CE1-CB 4.14Å; F40-A54 HydrophobicContact CG-CB 3.7Å; A54-F260 HydrophobicContact CB-CB 4.33Å; A54-F260 HydrophobicContact CB-CD2 4.23Å; A54-F260 PolarHBondContact O-N 3.29Å; A54-L293 HydrophobicContact CB-CD2 3.67Å
55	K	78.7	Confident	73.1	Confident	21 Å²	21	37.6 Å²	37.6	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147	169	70	172.5	-169.8	170.9	0	110.3	F40 Y52 W257 W258 F259 Y448	F40-K55 WeakPolarHBondContact CZ-O 3.17Å; Y52-K55 HydrophobicContact CD2-CB 4.5Å; Y52-K55 HydrophobicContact CE2-CB 4.48Å; Y52-K55 HydrophobicContact CE2-CD 4.39Å; K55-W257 HydrophobicContact CD-CE3 4.34Å; K55-W257 HydrophobicContact CD-CZ3 4Å; K55-W257 HydrophobicContact CG-CE3 4.5Å; K55-W257 HydrophobicContact CG-CZ3 4.11Å; K55-W258 CarbonylContact C-O 3.44Å; K55-W258 WeakPolarHBondContact CA-O 3.23Å; K55-F259 HydrophobicContact CB-CD1 3.8Å; K55-F259 HydrophobicContact CB-CE1 4.03Å; K55-F259 HydrophobicContact CD-CE1 4.18Å; K55-Y448 VanDerWaalsContact CE-CG 3.47Å
56	F	81.3	Confident	73.8	Confident	5 Å²	5	36.7 Å²	36.7	2%	0.022	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	140.8	179.1	-167.8	-97.1	0	0	0	110.6	F40 F58 W258 L295 N297 F308	F40-F56 HydrophobicContact CE2-CD2 4.47Å; F56-F58 HydrophobicContact CB-CE2 4.31Å; F56-F58 AromaticContact CD1-CD1 3.58Å; F56-F58 HydrophobicContact CD1-CD1 3.58Å; F56-F58 AromaticContact CD1-CD2 3.93Å; F56-F58 HydrophobicContact CD1-CD2 3.93Å; F56-F58 AromaticContact CD1-CE1 3.45Å; F56-F58 HydrophobicContact CD1-CE1 3.45Å; F56-F58 VanDerWaalsContact CD1-CE1 3.45Å; F56-F58 AromaticContact CD1-CE2 3.81Å; F56-F58 HydrophobicContact CD1-CE2 3.81Å; F56-F58 AromaticContact CD1-CG 3.86Å; F56-F58 HydrophobicContact CD1-CG 3.86Å; F56-F58 AromaticContact CD1-CZ 3.57Å; F56-F58 HydrophobicContact CD1-CZ 3.57Å; F56-F58 AromaticContact CE1-CD1 3.59Å; F56-F58 HydrophobicContact CE1-CD1 3.59Å; F56-F58 AromaticContact CE1-CE1 3.57Å; F56-F58 HydrophobicContact CE1-CE1 3.57Å; F56-F58 HydrophobicContact CE1-CG 4.23Å; F56-F58 HydrophobicContact CE1-CZ 4.16Å; F56-F58 HydrophobicContact CG-CZ 4.38Å; F56-W258 PolarHBondContact N-O 3.43Å; F56-W258 PolarHBondContact O-N 3.38Å; F56-L295 HydrophobicContact CB-CB 4.19Å; F56-L295 HydrophobicContact CB-CD1 3.37Å; F56-L295 HydrophobicContact CB-CG 4.34Å; F56-L295 HydrophobicContact CD1-CB 3.92Å; F56-L295 HydrophobicContact CD2-CB 3.85Å; F56-L295 HydrophobicContact CD2-CD1 4.21Å; F56-L295 HydrophobicContact CE1-CB 4.17Å; F56-L295 HydrophobicContact CE2-CB 4.12Å; F56-L295 HydrophobicContact CG-CB 3.74Å; F56-L295 HydrophobicContact CG-CD1 3.88Å; F56-L295 HydrophobicContact CG-CG 4.42Å; F56-L295 HydrophobicContact CZ-CB 4.27Å; F56-N297 VanDerWaalsContact CE1-ND2 3.26Å; F56-N297 WeakPolarHBondContact CE1-ND2 3.38Å; F56-F308 WeakPolarHBondContact CZ-O 3.13Å
57	C	80.7	Confident	74.7	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.02	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.6	177	-161.1	0	0	0	0	109.1	S256 W257 N297 S309 S310	C57-S256 WeakPolarHBondContact CA-O 3.4Å; C57-W257 HydrophobicContact CB-CD2 3.71Å; C57-W257 HydrophobicContact CB-CE3 3.78Å; C57-W257 HydrophobicContact CB-CG 4.32Å; C57-W257 HydrophobicContact CB-CH2 4.08Å; C57-W257 HydrophobicContact CB-CZ2 3.99Å; C57-W257 HydrophobicContact CB-CZ3 3.96Å; C57-N297 PolarHBondContact O-ND2 2.75Å; C57-S309 WeakPolarHBondContact CB-OG 3.47Å; C57-S309 PolarHBondContact N-OG 3.35Å; C57-S310 WeakPolarHBondContact CB-OG 3.38Å; C57-S310 WeakPolarHBondContact O-CB 3.09Å; C57-S310 PolarHBondContact O-N 2.97Å; C57-S310 PolarHBondContact O-OG 3.41Å; C57-S310 PolarHBondContact SG-OG 3.46Å
58	F	83	Confident	76.2	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.8	179.7	-70.2	-77.7	0	0	0	111	F56 I65 L250 V252 P255 S256 W258 F260 L295 R296 N297	F56-F58 HydrophobicContact CB-CE2 4.31Å; F56-F58 AromaticContact CD1-CD1 3.58Å; F56-F58 HydrophobicContact CD1-CD1 3.58Å; F56-F58 AromaticContact CD1-CD2 3.93Å; F56-F58 HydrophobicContact CD1-CD2 3.93Å; F56-F58 AromaticContact CD1-CE1 3.45Å; F56-F58 HydrophobicContact CD1-CE1 3.45Å; F56-F58 VanDerWaalsContact CD1-CE1 3.45Å; F56-F58 AromaticContact CD1-CE2 3.81Å; F56-F58 HydrophobicContact CD1-CE2 3.81Å; F56-F58 AromaticContact CD1-CG 3.86Å; F56-F58 HydrophobicContact CD1-CG 3.86Å; F56-F58 AromaticContact CD1-CZ 3.57Å; F56-F58 HydrophobicContact CD1-CZ 3.57Å; F56-F58 AromaticContact CE1-CD1 3.59Å; F56-F58 HydrophobicContact CE1-CD1 3.59Å; F56-F58 AromaticContact CE1-CE1 3.57Å; F56-F58 HydrophobicContact CE1-CE1 3.57Å; F56-F58 HydrophobicContact CE1-CG 4.23Å; F56-F58 HydrophobicContact CE1-CZ 4.16Å; F56-F58 HydrophobicContact CG-CZ 4.38Å; F58-I65 HydrophobicContact CE1-CG1 4.18Å; F58-I65 HydrophobicContact CE2-CD1 4.11Å; F58-I65 HydrophobicContact CE2-CG1 4.32Å; F58-I65 HydrophobicContact CZ-CD1 3.89Å; F58-I65 HydrophobicContact CZ-CG1 3.58Å; F58-L250 HydrophobicContact CB-CD2 3.82Å; F58-L250 HydrophobicContact CD1-CD2 3.76Å; F58-L250 HydrophobicContact CD2-CD2 3.42Å; F58-L250 VanDerWaalsContact CD2-CD2 3.42Å; F58-L250 HydrophobicContact CE1-CD2 4.1Å; F58-L250 HydrophobicContact CE2-CD2 3.79Å; F58-L250 HydrophobicContact CG-CD2 3.37Å; F58-L250 HydrophobicContact CZ-CD2 4.1Å; F58-V252 HydrophobicContact CB-CB 4.44Å; F58-V252 HydrophobicContact CB-CG2 3.79Å; F58-P255 WeakPolarHBondContact O-CA 3.41Å; F58-S256 PolarHBondContact N-O 3.46Å; F58-S256 PolarHBondContact O-N 2.93Å; F58-W258 HydrophobicContact CD2-CB 3.99Å; F58-W258 AromaticContact CD2-CD1 3.42Å; F58-W258 VanDerWaalsContact CD2-CD1 3.42Å; F58-W258 AromaticContact CD2-CG 3.72Å; F58-W258 HydrophobicContact CD2-CG 3.72Å; F58-W258 HydrophobicContact CE2-CB 3.9Å; F58-W258 AromaticContact CE2-CG 3.97Å; F58-W258 HydrophobicContact CE2-CG 3.97Å; F58-F260 HydrophobicContact CE2-CZ 4.28Å; F58-L295 HydrophobicContact CE1-CB 4.3Å; F58-L295 HydrophobicContact CZ-CB 3.99Å; F58-L295 HydrophobicContact CZ-CD2 3.82Å; F58-L295 HydrophobicContact CZ-CG 4.37Å; F58-R296 WeakPolarHBondContact CE1-O 3.27Å; F58-N297 WeakPolarHBondContact CA-OD1 3.42Å; F58-N297 WeakPolarHBondContact CD1-OD1 3.35Å
59	L	75.9	Confident	77.7	Confident	38 Å²	38	29.4 Å²	29.4	20%	0.199	16%	0.161	C	C	.	.			trans	-154.8	75.6	177.4	-178.7	63.2	0	0	0	109.8	P255 N297 F313 W521	L59-P255 HydrophobicContact CB-CB 4.44Å; L59-P255 HydrophobicContact CD1-CB 3.96Å; L59-P255 HydrophobicContact CD1-CG 4.21Å; L59-P255 HydrophobicContact CD2-CB 4.41Å; L59-N297 PolarHBondContact N-OD1 3.09Å; L59-F313 HydrophobicContact CB-CE2 3.86Å; L59-F313 HydrophobicContact CB-CZ 4.32Å; L59-F313 HydrophobicContact CD2-CD2 3.96Å; L59-F313 HydrophobicContact CD2-CE2 3.8Å; L59-F313 HydrophobicContact CG-CE2 3.99Å; L59-F313 WeakPolarHBondContact O-CE2 3.42Å; L59-W521 HydrophobicContact CD2-CB 4.32Å; L59-W521 HydrophobicContact CD2-CD2 3.47Å; L59-W521 VanDerWaalsContact CD2-CD2 3.47Å; L59-W521 HydrophobicContact CD2-CE3 3.3Å; L59-W521 HydrophobicContact CD2-CG 3.93Å; L59-W521 HydrophobicContact CD2-CH2 4.42Å; L59-W521 HydrophobicContact CD2-CZ3 3.83Å
60	S	69.6	Low	79.4	Confident	32 Å²	32	26.1 Å²	26.1	22%	0.224	15%	0.145	C	C	.	.			trans	-172.6	157.7	171.2	-171.6	0	0	0	0	110.5	N62 S63 V252 N297	S60-N62 PolarHBondContact OG-N 3.34Å; S60-S63 WeakPolarHBondContact CB-OG 3.14Å; S60-S63 PolarHBondContact N-OG 3.16Å; S60-S63 PolarHBondContact O-OG 3.22Å; S60-V252 PolarHBondContact O-N 3.2Å; S60-N297 WeakPolarHBondContact CB-O 3.46Å; S60-N297 PolarHBondContact OG-O 3.33Å
61	S	70	Confident	80.9	Confident	77 Å²	77	23.8 Å²	23.8	54%	0.538	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.5	162.9	55.1	0	0	0	0	112.3	I251	S61-I251 VanDerWaalsContact O-CG1 3.25Å; S61-I251 WeakPolarHBondContact O-CG1 3.49Å
62	N	81	Confident	81.9	Confident	67 Å²	67	20 Å²	20	36%	0.358	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	13.4	-172.3	-61.5	-7.2	0	0	0	112.3	S60 N297 E299	S60-N62 PolarHBondContact OG-N 3.34Å; N62-N297 CarbonylContact C-O 3.27Å; N62-E299 HydrophobicContact CB-CG 3.85Å; N62-E299 VanDerWaalsContact ND2-CG 3.27Å; N62-E299 WeakPolarHBondContact ND2-CG 3.26Å; N62-E299 PolarHBondContact ND2-OE1 3.38Å
63	S	84.5	Confident	82.5	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.007	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	148.7	177.2	-57.8	0	0	0	0	110.9	S60 L250 R296 N297	S60-S63 WeakPolarHBondContact CB-OG 3.14Å; S60-S63 PolarHBondContact N-OG 3.16Å; S60-S63 PolarHBondContact O-OG 3.22Å; S63-L250 VanDerWaalsContact CB-O 3.29Å; S63-L250 WeakPolarHBondContact CB-O 3.29Å; S63-L250 PolarHBondContact O-N 3.07Å; S63-R296 CarbonylContact C-O 3.54Å; S63-R296 WeakPolarHBondContact CA-O 3.49Å; S63-R296 VanDerWaalsContact CB-O 3.27Å; S63-R296 WeakPolarHBondContact CB-O 3.42Å; S63-N297 PolarHBondContact OG-OD1 3.21Å
64	S	86.1	Confident	82.6	Confident	15 Å²	15	22.2 Å²	22.2	11%	0.105	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.9	178.4	60.6	0	0	0	0	112.4	I248 R296	S64-I248 CarbonylContact C-O 3.57Å; S64-I248 VanDerWaalsContact CA-O 3.29Å; S64-I248 WeakPolarHBondContact CA-O 3.29Å; S64-R296 PolarHBondContact N-O 2.88Å; S64-R296 PolarHBondContact O-N 3.15Å
65	I	87.6	Confident	82.7	Confident	8 Å²	8	22.3 Å²	22.3	4%	0.041	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.6	176.9	-60.3	174.1	0	0	0	107.7	F58 I248 L250 F260 L293 L295	F58-I65 HydrophobicContact CE1-CG1 4.18Å; F58-I65 HydrophobicContact CE2-CD1 4.11Å; F58-I65 HydrophobicContact CE2-CG1 4.32Å; F58-I65 HydrophobicContact CZ-CD1 3.89Å; F58-I65 HydrophobicContact CZ-CG1 3.58Å; I65-I248 PolarHBondContact N-O 3.23Å; I65-I248 WeakPolarHBondContact O-CB 3.25Å; I65-I248 PolarHBondContact O-N 3.21Å; I65-L250 HydrophobicContact CD1-CD1 3.88Å; I65-L250 HydrophobicContact CD1-CD2 4.27Å; I65-L250 HydrophobicContact CD1-CG 4.46Å; I65-F260 HydrophobicContact CD1-CE1 4.21Å; I65-F260 HydrophobicContact CD1-CZ 3.95Å; I65-L293 HydrophobicContact CG2-CD1 4.09Å; I65-L295 HydrophobicContact CB-CD2 4.35Å; I65-L295 HydrophobicContact CG1-CD2 3.95Å; I65-L295 HydrophobicContact CG2-CD2 3.91Å
66	Q	88.6	Confident	82.8	Confident	39 Å²	39	22.9 Å²	22.9	18%	0.182	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.4	168.6	160.2	-179	54.3	0	0	108.6	N247 T294	Q66-N247 VanDerWaalsContact CB-OD1 3.3Å; Q66-N247 WeakPolarHBondContact CB-OD1 3.26Å; Q66-N247 VanDerWaalsContact CD-OD1 3.24Å; Q66-N247 PolarHBondContact OE1-OD1 3.24Å; Q66-N247 VanDerWaalsContact OE1-OD1 3.14Å; Q66-T294 WeakPolarHBondContact CB-OG1 3.48Å; Q66-T294 WeakPolarHBondContact CG-OG1 3.4Å; Q66-T294 PolarHBondContact N-O 3.48Å; Q66-T294 PolarHBondContact O-N 3.45Å; Q66-T294 PolarHBondContact O-OG1 2.92Å
67	F	89.8	Confident	82.8	Confident	1 Å²	1	24.9 Å²	24.9	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.1	-177.9	59.9	-105.2	0	0	0	111.8	F69 L80 F117 L119 W126 Q244 S245 I248 R292 L293	F67-F69 HydrophobicContact CB-CE1 4.25Å; F67-F69 HydrophobicContact CB-CE2 3.73Å; F67-F69 HydrophobicContact CB-CZ 3.56Å; F67-F69 HydrophobicContact CD1-CE2 4.37Å; F67-F69 AromaticContact CD2-CD2 3.5Å; F67-F69 HydrophobicContact CD2-CD2 3.5Å; F67-F69 VanDerWaalsContact CD2-CD2 3.5Å; F67-F69 AromaticContact CD2-CE2 3.1Å; F67-F69 HydrophobicContact CD2-CE2 3.1Å; F67-F69 AromaticContact CD2-CZ 3.9Å; F67-F69 HydrophobicContact CD2-CZ 3.9Å; F67-F69 HydrophobicContact CE2-CD2 4.01Å; F67-F69 AromaticContact CE2-CE2 3.7Å; F67-F69 HydrophobicContact CE2-CE2 3.7Å; F67-F69 HydrophobicContact CG-CD2 4.28Å; F67-F69 AromaticContact CG-CE2 3.49Å; F67-F69 HydrophobicContact CG-CE2 3.49Å; F67-F69 VanDerWaalsContact CG-CE2 3.49Å; F67-F69 AromaticContact CG-CZ 3.83Å; F67-F69 HydrophobicContact CG-CZ 3.83Å; F67-L80 HydrophobicContact CD1-CD2 3.97Å; F67-L80 HydrophobicContact CE1-CD2 4.14Å; F67-L80 HydrophobicContact CG-CD2 4.36Å; F67-F117 HydrophobicContact CE1-CD1 4.3Å; F67-F117 HydrophobicContact CE1-CG 4.24Å; F67-F117 HydrophobicContact CZ-CB 4.31Å; F67-F117 HydrophobicContact CZ-CD1 4.46Å; F67-F117 HydrophobicContact CZ-CG 4.36Å; F67-L119 HydrophobicContact CE2-CD2 4.09Å; F67-W126 HydrophobicContact CE1-CE3 4.46Å; F67-W126 HydrophobicContact CE1-CZ3 4.22Å; F67-W126 HydrophobicContact CE2-CE3 4.34Å; F67-W126 AromaticContact CZ-CE3 3.66Å; F67-W126 HydrophobicContact CZ-CE3 3.66Å; F67-W126 AromaticContact CZ-CZ3 3.81Å; F67-W126 HydrophobicContact CZ-CZ3 3.81Å; F67-Q244 WeakPolarHBondContact O-CA 3.46Å; F67-S245 WeakPolarHBondContact CD1-OG 3.29Å; F67-S245 WeakPolarHBondContact CD2-OG 3.19Å; F67-S245 VanDerWaalsContact CE1-OG 3.3Å; F67-S245 WeakPolarHBondContact CE1-OG 3.32Å; F67-S245 WeakPolarHBondContact CG-OG 3.45Å; F67-S245 VanDerWaalsContact CZ-CB 3.45Å; F67-S245 PolarHBondContact N-OG 3.41Å; F67-S245 PolarHBondContact O-N 3.02Å; F67-S245 PolarHBondContact O-OG 3.24Å; F67-I248 HydrophobicContact CE1-CD1 3.98Å; F67-R292 CarbonylContact C-O 3.58Å; F67-R292 WeakPolarHBondContact CA-O 3.38Å; F67-L293 HydrophobicContact CB-CD1 3.77Å
68	E	90.5	Very high	83	Confident	21 Å²	21	24.8 Å²	24.8	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.2	171.9	-66.6	172.8	179.8	0	0	108.5	V216 C243 Q244 Y291 R292	E68-V216 HydrophobicContact CB-CG2 3.71Å; E68-C243 CarbonylContact C-O 3.51Å; E68-C243 VanDerWaalsContact CA-O 3.23Å; E68-C243 WeakPolarHBondContact CA-O 2.92Å; E68-Q244 HydrophobicContact CG-CB 4.29Å; E68-Q244 HydrophobicContact CG-CG 3.92Å; E68-Q244 PolarHBondContact OE1-NE2 2.98Å; E68-Y291 CarbonylContact O-C 3.57Å; E68-Y291 WeakPolarHBondContact O-CA 3.35Å; E68-R292 HydrophobicContact CB-CB 4.18Å; E68-R292 PolarHBondContact N-O 3.16Å; E68-R292 PolarHBondContact O-N 3.47Å; E68-R292 VanDerWaalsContact OE2-CD 3.32Å; E68-R292 WeakPolarHBondContact OE2-CD 3.49Å; E68-R292 IonicContact OE2-NH1 3.31Å; E68-R292 PolarHBondContact OE2-NH1 2.96Å
69	F	91.1	Very high	83.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.6	-179.7	-55.1	-57.1	0	0	0	110.5	F67 F71 L80 L119 Y242 C243 F262 I289 A290 Y291	F67-F69 HydrophobicContact CB-CE1 4.25Å; F67-F69 HydrophobicContact CB-CE2 3.73Å; F67-F69 HydrophobicContact CB-CZ 3.56Å; F67-F69 HydrophobicContact CD1-CE2 4.37Å; F67-F69 AromaticContact CD2-CD2 3.5Å; F67-F69 HydrophobicContact CD2-CD2 3.5Å; F67-F69 VanDerWaalsContact CD2-CD2 3.5Å; F67-F69 AromaticContact CD2-CE2 3.1Å; F67-F69 HydrophobicContact CD2-CE2 3.1Å; F67-F69 AromaticContact CD2-CZ 3.9Å; F67-F69 HydrophobicContact CD2-CZ 3.9Å; F67-F69 HydrophobicContact CE2-CD2 4.01Å; F67-F69 AromaticContact CE2-CE2 3.7Å; F67-F69 HydrophobicContact CE2-CE2 3.7Å; F67-F69 HydrophobicContact CG-CD2 4.28Å; F67-F69 AromaticContact CG-CE2 3.49Å; F67-F69 HydrophobicContact CG-CE2 3.49Å; F67-F69 VanDerWaalsContact CG-CE2 3.49Å; F67-F69 AromaticContact CG-CZ 3.83Å; F67-F69 HydrophobicContact CG-CZ 3.83Å; F69-F71 HydrophobicContact CB-CD1 4.5Å; F69-L80 HydrophobicContact CE2-CB 4.35Å; F69-L80 HydrophobicContact CE2-CD2 3.9Å; F69-L80 HydrophobicContact CE2-CG 4.49Å; F69-L80 HydrophobicContact CZ-CD1 3.98Å; F69-L80 HydrophobicContact CZ-CD2 3.79Å; F69-L80 HydrophobicContact CZ-CG 4.33Å; F69-L119 HydrophobicContact CD2-CD1 3.51Å; F69-L119 HydrophobicContact CD2-CD2 3.64Å; F69-L119 HydrophobicContact CD2-CG 4.24Å; F69-L119 HydrophobicContact CE2-CD1 3.85Å; F69-L119 HydrophobicContact CE2-CD2 3.83Å; F69-L119 HydrophobicContact CG-CD1 4.12Å; F69-Y242 WeakPolarHBondContact O-CA 3.45Å; F69-Y242 WeakPolarHBondContact O-CD2 3.22Å; F69-C243 HydrophobicContact CB-CB 4.36Å; F69-C243 HydrophobicContact CD2-CB 4.42Å; F69-C243 PolarHBondContact N-O 2.92Å; F69-C243 PolarHBondContact O-N 3.28Å; F69-F262 HydrophobicContact CD1-CE1 4.03Å; F69-F262 AromaticContact CD1-CZ 3.75Å; F69-F262 HydrophobicContact CD1-CZ 3.75Å; F69-F262 AromaticContact CE1-CE1 3.81Å; F69-F262 HydrophobicContact CE1-CE1 3.81Å; F69-F262 AromaticContact CE1-CZ 3.51Å; F69-F262 HydrophobicContact CE1-CZ 3.51Å; F69-F262 HydrophobicContact CE2-CE1 4.37Å; F69-F262 HydrophobicContact CG-CE1 4.45Å; F69-F262 AromaticContact CZ-CE1 3.98Å; F69-F262 HydrophobicContact CZ-CE1 3.98Å; F69-F262 HydrophobicContact CZ-CZ 4.12Å; F69-I289 HydrophobicContact CB-CG2 4.27Å; F69-I289 HydrophobicContact CD1-CG2 4.42Å; F69-A290 CarbonylContact C-O 3.57Å; F69-A290 WeakPolarHBondContact CA-O 3.37Å; F69-Y291 VanDerWaalsContact CD1-CB 3.45Å
70	A	88	Confident	83.8	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.2	171.4	0	0	0	0	0	110.6	V216 I217 A220 W240 I241 Y242 A290	A70-V216 HydrophobicContact CB-CB 4.48Å; A70-V216 HydrophobicContact CB-CG1 3.79Å; A70-I217 HydrophobicContact CB-CG1 4.19Å; A70-A220 HydrophobicContact CB-CB 4.19Å; A70-W240 HydrophobicContact CB-CE3 4.48Å; A70-W240 HydrophobicContact CB-CZ3 4.49Å; A70-I241 WeakPolarHBondContact CA-O 3.31Å; A70-Y242 HydrophobicContact CB-CD2 4.47Å; A70-A290 PolarHBondContact N-O 3.31Å; A70-A290 PolarHBondContact O-N 2.98Å
71	F	86.9	Confident	84.5	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	168.7	-179.2	59.4	-85.8	0	0	0	111.7	F69 A75 L76 V78 L119 W240 I241 I289	F69-F71 HydrophobicContact CB-CD1 4.5Å; F71-A75 HydrophobicContact CD2-CB 3.99Å; F71-L76 HydrophobicContact CE2-CD2 4.11Å; F71-L76 HydrophobicContact CE2-CG 4.41Å; F71-L76 HydrophobicContact CZ-CD2 4.31Å; F71-V78 HydrophobicContact CD2-CG2 4.43Å; F71-V78 HydrophobicContact CE2-CB 4.4Å; F71-V78 HydrophobicContact CE2-CG2 3.94Å; F71-V78 HydrophobicContact CZ-CB 4.29Å; F71-V78 HydrophobicContact CZ-CG2 4.32Å; F71-L119 HydrophobicContact CE1-CB 4.19Å; F71-L119 HydrophobicContact CZ-CB 4.11Å; F71-L119 WeakPolarHBondContact CZ-O 3.43Å; F71-W240 WeakPolarHBondContact O-CA 3.49Å; F71-I241 HydrophobicContact CD2-CB 4.31Å; F71-I241 HydrophobicContact CE1-CB 4.15Å; F71-I241 HydrophobicContact CE1-CG2 3.86Å; F71-I241 HydrophobicContact CE2-CB 3.93Å; F71-I241 HydrophobicContact CE2-CD1 3.71Å; F71-I241 HydrophobicContact CE2-CG1 4.35Å; F71-I241 HydrophobicContact CE2-CG2 4.21Å; F71-I241 HydrophobicContact CZ-CB 3.84Å; F71-I241 HydrophobicContact CZ-CD1 4.06Å; F71-I241 HydrophobicContact CZ-CG2 3.61Å; F71-I241 PolarHBondContact N-O 3.41Å; F71-I241 PolarHBondContact O-N 3.25Å; F71-I289 HydrophobicContact CB-CB 4.29Å; F71-I289 HydrophobicContact CB-CG1 3.79Å; F71-I289 HydrophobicContact CB-CG2 4.35Å; F71-I289 HydrophobicContact CD1-CG1 4.29Å; F71-I289 HydrophobicContact CD1-CG2 4.16Å; F71-I289 HydrophobicContact CG-CG1 4.08Å
72	L	84	Confident	85.1	Confident	5 Å²	5	19.8 Å²	19.8	3%	0.026	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141	178.1	-72.9	169.6	0	0	0	111.5	N74 A75 F224 L237 W240	L72-N74 PolarHBondContact O-N 3.21Å; L72-A75 WeakPolarHBondContact O-CB 3.37Å; L72-A75 PolarHBondContact O-N 3.17Å; L72-F224 HydrophobicContact CD1-CD1 3.92Å; L72-F224 HydrophobicContact CD1-CE1 3.46Å; L72-F224 VanDerWaalsContact CD1-CE1 3.46Å; L72-F224 HydrophobicContact CD1-CZ 3.82Å; L72-F224 HydrophobicContact CG-CE1 4.2Å; L72-F224 HydrophobicContact CG-CE2 4.45Å; L72-F224 HydrophobicContact CG-CZ 4.06Å; L72-L237 HydrophobicContact CD1-CD2 4.08Å; L72-L237 HydrophobicContact CD2-CD2 4.01Å; L72-L237 HydrophobicContact CD2-CG 4.49Å; L72-W240 HydrophobicContact CD2-CD2 4.32Å; L72-W240 HydrophobicContact CD2-CZ2 4.47Å
73	E	83	Confident	85	Confident	35 Å²	35	16.9 Å²	16.9	16%	0.164	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-54.5	-32.7	-179.6	-177.2	169.6	170.1	0	0	112.9	A75 L76 R129 Q239 I241	E73-A75 PolarHBondContact O-N 3.37Å; E73-L76 HydrophobicContact CG-CD1 4.34Å; E73-L76 PolarHBondContact O-N 3.45Å; E73-L76 VanDerWaalsContact O-N 3.1Å; E73-R129 IonicContact OE1-CZ 3.94Å; E73-R129 IonicContact OE1-NE 3.66Å; E73-R129 IonicContact OE1-NH1 3.18Å; E73-R129 PolarHBondContact OE1-NH1 2.81Å; E73-R129 IonicContact OE1-NH2 3.56Å; E73-R129 PolarHBondContact OE1-NH2 2.99Å; E73-R129 IonicContact OE2-CZ 2.85Å; E73-R129 IonicContact OE2-NH1 2.92Å; E73-R129 PolarHBondContact OE2-NH1 3.46Å; E73-Q239 HydrophobicContact CB-CB 4.1Å; E73-Q239 PolarHBondContact N-O 2.94Å; E73-Q239 VanDerWaalsContact N-O 3.14Å; E73-I241 HydrophobicContact CB-CD1 4.24Å; E73-I241 HydrophobicContact CB-CG1 4.25Å; E73-I241 HydrophobicContact CG-CD1 4.19Å
74	N	77.3	Confident	84.7	Confident	94 Å²	94	18.3 Å²	18.3	50%	0.503	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-59.2	-16.2	177.6	-60.5	-10.9	0	0	0	114.7	L72	L72-N74 PolarHBondContact O-N 3.21Å
75	A	78.9	Confident	83.9	Confident	5 Å²	5	19.1 Å²	19.1	4%	0.041	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-83.4	-9.3	179.2	0	0	0	0	0	113.6	L46 F71 L72 E73 V78	L46-A75 HydrophobicContact CD1-CB 3.96Å; F71-A75 HydrophobicContact CD2-CB 3.99Å; L72-A75 WeakPolarHBondContact O-CB 3.37Å; L72-A75 PolarHBondContact O-N 3.17Å; E73-A75 PolarHBondContact O-N 3.37Å; A75-V78 HydrophobicContact CB-CG2 4.22Å; A75-V78 WeakPolarHBondContact O-CG2 3.34Å
76	L	80.5	Confident	83.1	Confident	34 Å²	34	19.8 Å²	19.8	18%	0.178	11%	0.105	C	C	.	.			trans	-61	149	176.2	-74.1	178	0	0	0	112.1	F71 E73 L119 D120 I241	F71-L76 HydrophobicContact CE2-CD2 4.11Å; F71-L76 HydrophobicContact CE2-CG 4.41Å; F71-L76 HydrophobicContact CZ-CD2 4.31Å; E73-L76 HydrophobicContact CG-CD1 4.34Å; E73-L76 PolarHBondContact O-N 3.45Å; E73-L76 VanDerWaalsContact O-N 3.1Å; L76-L119 WeakPolarHBondContact CD2-O 3.24Å; L76-D120 HydrophobicContact CD2-CB 4.21Å; L76-I241 HydrophobicContact CD1-CD1 3.35Å; L76-I241 HydrophobicContact CD2-CD1 3.76Å; L76-I241 HydrophobicContact CG-CD1 3.43Å; L76-I241 VanDerWaalsContact CG-CD1 3.43Å
77	P	81.9	Confident	82	Confident	46 Å²	46	22.7 Å²	22.7	30%	0.299	13%	0.127	S	C	.	.	S	Bend	cis	-80.7	136.2	-3.4	32.7	-31.4	0	0	0	111.6	S264 N266	P77-S264 WeakPolarHBondContact O-CA 3.43Å; P77-S264 WeakPolarHBondContact O-CB 3.35Å; P77-S264 PolarHBondContact O-OG 3.05Å; P77-N266 WeakPolarHBondContact CD-OD1 3.47Å
78	V	85.7	Confident	81	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.012	16%	0.156	C	C	.	.			trans	-121.4	138.6	175.9	-178.8	0	0	0	0	109.6	L46 F71 A75 L119 F262 I289	L46-V78 HydrophobicContact CD2-CG1 4.01Å; L46-V78 HydrophobicContact CD2-CG2 3.87Å; F71-V78 HydrophobicContact CD2-CG2 4.43Å; F71-V78 HydrophobicContact CE2-CB 4.4Å; F71-V78 HydrophobicContact CE2-CG2 3.94Å; F71-V78 HydrophobicContact CZ-CB 4.29Å; F71-V78 HydrophobicContact CZ-CG2 4.32Å; A75-V78 HydrophobicContact CB-CG2 4.22Å; A75-V78 WeakPolarHBondContact O-CG2 3.34Å; V78-L119 HydrophobicContact CB-CB 4.33Å; V78-L119 HydrophobicContact CG1-CB 4.4Å; V78-L119 HydrophobicContact CG1-CD1 3.95Å; V78-L119 WeakPolarHBondContact O-CB 3.22Å; V78-L119 PolarHBondContact O-N 3.44Å; V78-F262 HydrophobicContact CG1-CD1 4.23Å; V78-I289 HydrophobicContact CG1-CD1 3.56Å; V78-I289 HydrophobicContact CG2-CD1 4.37Å
79	K	87	Confident	79.9	Confident	36 Å²	36	29.6 Å²	29.6	16%	0.157	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.7	172.9	-51.4	-174.7	-168.4	175.1	0	110.8	L116 F117 H118 F262 D263	K79-L116 HydrophobicContact CB-CD1 3.59Å; K79-L116 HydrophobicContact CB-CG 3.98Å; K79-L116 HydrophobicContact CD-CD1 3.87Å; K79-L116 HydrophobicContact CD-CD2 3.44Å; K79-L116 VanDerWaalsContact CD-CD2 3.44Å; K79-L116 HydrophobicContact CD-CG 3.63Å; K79-L116 HydrophobicContact CG-CD1 4.38Å; K79-L116 HydrophobicContact CG-CG 4.39Å; K79-F117 CarbonylContact C-O 3.5Å; K79-F117 VanDerWaalsContact CA-O 3.3Å; K79-F117 WeakPolarHBondContact CA-O 3.28Å; K79-H118 VanDerWaalsContact CE-CE1 3.43Å; K79-H118 WeakPolarHBondContact CE-CE1 3Å; K79-F262 WeakPolarHBondContact O-CA 3.17Å; K79-D263 PolarHBondContact N-O 3.35Å; K79-D263 PolarHBondContact O-N 3.33Å
80	L	86.9	Confident	78.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.6	167.1	174.5	70.7	0	0	0	108.2	F53 F67 F69 L116 F117 L119 F260 F262	F53-L80 HydrophobicContact CE1-CD1 3.9Å; F53-L80 HydrophobicContact CZ-CD1 3.66Å; F67-L80 HydrophobicContact CD1-CD2 3.97Å; F67-L80 HydrophobicContact CE1-CD2 4.14Å; F67-L80 HydrophobicContact CG-CD2 4.36Å; F69-L80 HydrophobicContact CE2-CB 4.35Å; F69-L80 HydrophobicContact CE2-CD2 3.9Å; F69-L80 HydrophobicContact CE2-CG 4.49Å; F69-L80 HydrophobicContact CZ-CD1 3.98Å; F69-L80 HydrophobicContact CZ-CD2 3.79Å; F69-L80 HydrophobicContact CZ-CG 4.33Å; L80-L116 WeakPolarHBondContact O-CA 3.06Å; L80-F117 HydrophobicContact CB-CB 4.2Å; L80-F117 HydrophobicContact CB-CD2 4.33Å; L80-F117 HydrophobicContact CD2-CD2 3.81Å; L80-F117 HydrophobicContact CD2-CE2 4.43Å; L80-F117 HydrophobicContact CD2-CG 4.49Å; L80-F117 HydrophobicContact CG-CD2 4.18Å; L80-F117 PolarHBondContact N-O 3.33Å; L80-F117 PolarHBondContact O-N 3.41Å; L80-L119 HydrophobicContact CB-CD1 4.3Å; L80-L119 HydrophobicContact CB-CD2 4.46Å; L80-L119 HydrophobicContact CB-CG 4.43Å; L80-F260 HydrophobicContact CD1-CB 4.43Å; L80-F262 HydrophobicContact CD1-CD1 4.36Å; L80-F262 HydrophobicContact CD1-CE1 4.06Å
81	K	84.6	Confident	77.5	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.8	177.9	-172.8	179.3	73.6	162.2	0	108.9	F83 A93 L108 L116 F260 T261	K81-F83 HydrophobicContact CG-CD1 4.49Å; K81-A93 PolarHBondContact NZ-O 3.01Å; K81-L108 HydrophobicContact CD-CD1 3.4Å; K81-L108 HydrophobicContact CG-CD1 3.74Å; K81-L116 HydrophobicContact CB-CD1 4.26Å; K81-F260 WeakPolarHBondContact O-CA 3.33Å; K81-T261 HydrophobicContact CB-CG2 3.89Å; K81-T261 HydrophobicContact CD-CG2 4.13Å; K81-T261 HydrophobicContact CG-CG2 4.29Å; K81-T261 PolarHBondContact N-O 3.04Å; K81-T261 PolarHBondContact O-N 3.5Å
82	S	84.1	Confident	76.4	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.2	172	65.2	0	0	0	0	109.7	Q115 F259	S82-Q115 PolarHBondContact N-O 2.89Å; S82-Q115 WeakPolarHBondContact O-CB 3.33Å; S82-Q115 WeakPolarHBondContact O-CG 3.4Å; S82-Q115 PolarHBondContact O-NE2 3.08Å; S82-Q115 PolarHBondContact OG-O 2.89Å; S82-F259 WeakPolarHBondContact CA-O 3.31Å
83	F	79	Confident	75.4	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.4	178.1	61.9	-85.1	0	0	0	110.4	K81 M89 W90 A93 L108 W258 F259 T261	K81-F83 HydrophobicContact CG-CD1 4.49Å; F83-M89 HydrophobicContact CB-CE 3.98Å; F83-W90 AromaticContact CE2-CE3 3.98Å; F83-W90 HydrophobicContact CE2-CE3 3.98Å; F83-W90 AromaticContact CE2-CZ3 3.95Å; F83-W90 HydrophobicContact CE2-CZ3 3.95Å; F83-A93 HydrophobicContact CB-CB 4.17Å; F83-A93 HydrophobicContact CD1-CB 3.81Å; F83-A93 HydrophobicContact CD2-CB 3.52Å; F83-A93 HydrophobicContact CE1-CB 4Å; F83-A93 HydrophobicContact CE2-CB 3.72Å; F83-A93 HydrophobicContact CG-CB 3.56Å; F83-A93 HydrophobicContact CZ-CB 3.94Å; F83-L108 HydrophobicContact CB-CD2 4.03Å; F83-W258 CarbonylContact O-C 3.52Å; F83-W258 WeakPolarHBondContact O-CA 3.42Å; F83-F259 HydrophobicContact CD1-CB 4.14Å; F83-F259 HydrophobicContact CD2-CB 3.98Å; F83-F259 AromaticContact CD2-CD2 4Å; F83-F259 HydrophobicContact CD2-CD2 4Å; F83-F259 HydrophobicContact CD2-CG 4.33Å; F83-F259 HydrophobicContact CE1-CB 3.69Å; F83-F259 HydrophobicContact CE2-CB 3.51Å; F83-F259 AromaticContact CE2-CD2 3.75Å; F83-F259 HydrophobicContact CE2-CD2 3.75Å; F83-F259 AromaticContact CE2-CG 3.77Å; F83-F259 HydrophobicContact CE2-CG 3.77Å; F83-F259 HydrophobicContact CG-CB 4.28Å; F83-F259 HydrophobicContact CZ-CB 3.36Å; F83-F259 HydrophobicContact CZ-CD2 4.44Å; F83-F259 HydrophobicContact CZ-CG 4.01Å; F83-F259 PolarHBondContact N-O 3.04Å; F83-F259 PolarHBondContact O-N 3.08Å; F83-T261 HydrophobicContact CE1-CG2 3.91Å
84	W	77.3	Confident	74.3	Confident	31 Å²	31	37.4 Å²	37.4	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	168.6	179.7	69.7	84	0	0	0	113.3	A86 M89 S112 Q115 W257 W258	W84-A86 PolarHBondContact O-N 2.83Å; W84-M89 HydrophobicContact CD2-CE 4.34Å; W84-M89 HydrophobicContact CD2-CG 4.41Å; W84-M89 HydrophobicContact CE3-CE 4.24Å; W84-M89 HydrophobicContact CH2-CE 4.04Å; W84-M89 HydrophobicContact CH2-SD 4.21Å; W84-M89 HydrophobicContact CZ2-CE 4.17Å; W84-M89 HydrophobicContact CZ2-CG 3.81Å; W84-M89 HydrophobicContact CZ2-SD 3.97Å; W84-M89 HydrophobicContact CZ3-CE 4.15Å; W84-M89 WeakPolarHBondContact O-CB 3.46Å; W84-S112 WeakPolarHBondContact CH2-OG 3.46Å; W84-S112 WeakPolarHBondContact CZ3-OG 3.42Å; W84-Q115 HydrophobicContact CZ3-CG 4.47Å; W84-W257 CarbonylContact C-O 3.49Å; W84-W257 WeakPolarHBondContact CA-O 3.39Å; W84-W257 VanDerWaalsContact CB-O 3.29Å; W84-W257 WeakPolarHBondContact CB-O 3.16Å; W84-W258 HydrophobicContact CB-CD2 4.23Å; W84-W258 HydrophobicContact CB-CG 4.4Å; W84-W258 AromaticContact CE3-CH2 3.88Å; W84-W258 HydrophobicContact CE3-CH2 3.88Å; W84-W258 HydrophobicContact CE3-CZ2 4.11Å; W84-W258 HydrophobicContact CE3-CZ3 4.27Å; W84-W258 HydrophobicContact CZ3-CH2 4.4Å
85	D	70.1	Confident	73.3	Confident	33 Å²	33	36.2 Å²	36.2	18%	0.176	18%	0.184	C	C	.	.	S	Bend	trans	-70	42.4	-178.8	64.1	-23.3	0	0	0	116.1	W257 F259	D85-W257 HydrophobicContact CB-CB 3.8Å; D85-W257 PolarHBondContact N-O 3.12Å; D85-W257 PolarHBondContact OD1-N 2.98Å; D85-W257 VanDerWaalsContact OD1-N 3.17Å; D85-F259 HydrophobicContact CB-CE2 4.09Å
86	A	70	Confident	72.2	Confident	22 Å²	22	44.3 Å²	44.3	18%	0.182	21%	0.214	C	C	.	.			trans	-85.7	137.3	165	0	0	0	0	0	110.3	W84 R88 M89 W90	W84-A86 PolarHBondContact O-N 2.83Å; A86-R88 PolarHBondContact O-N 3.41Å; A86-R88 VanDerWaalsContact O-N 3.11Å; A86-M89 HydrophobicContact CB-CB 3.94Å; A86-M89 HydrophobicContact CB-CG 3.66Å; A86-M89 CarbonylContact O-C 2.86Å; A86-M89 WeakPolarHBondContact O-CA 3.45Å; A86-M89 WeakPolarHBondContact O-CB 3.4Å; A86-M89 PolarHBondContact O-N 3.43Å; A86-W90 PolarHBondContact O-N 2.93Å
87	P	66.4	Low	71	Confident	99 Å²	99	48.8 Å²	48.8	64%	0.643	25%	0.245	S	C	*	.	H	α-helix	trans	-52.1	-40.3	-179.7	-29.3	34.6	0	0	0	114	L91	P87-L91 WeakPolarHBondContact O-CD1 3.39Å; P87-L91 VanDerWaalsContact O-CG 3.22Å; P87-L91 WeakPolarHBondContact O-CG 3.38Å; P87-L91 PolarHBondContact O-N 2.82Å
88	R	66.9	Low	69.9	Low	166 Å²	166	52.8 Å²	52.8	63%	0.626	26%	0.263	S	S	*	.	H	α-helix	trans	-69.8	-37.3	176	-67.3	-174.6	-178.9	-177.5	2.9	113	A86 L91 A92	A86-R88 PolarHBondContact O-N 3.41Å; A86-R88 VanDerWaalsContact O-N 3.11Å; R88-L91 PolarHBondContact O-N 2.89Å; R88-A92 WeakPolarHBondContact O-CB 3.13Å; R88-A92 PolarHBondContact O-N 3.31Å
89	M	67.9	Low	68.9	Low	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-68	-40.4	175.8	-68	-67.6	-67.9	0	0	111.3	F83 W84 A86 A92 A93 L108 L111 Q115	F83-M89 HydrophobicContact CB-CE 3.98Å; W84-M89 HydrophobicContact CD2-CE 4.34Å; W84-M89 HydrophobicContact CD2-CG 4.41Å; W84-M89 HydrophobicContact CE3-CE 4.24Å; W84-M89 HydrophobicContact CH2-CE 4.04Å; W84-M89 HydrophobicContact CH2-SD 4.21Å; W84-M89 HydrophobicContact CZ2-CE 4.17Å; W84-M89 HydrophobicContact CZ2-CG 3.81Å; W84-M89 HydrophobicContact CZ2-SD 3.97Å; W84-M89 HydrophobicContact CZ3-CE 4.15Å; W84-M89 WeakPolarHBondContact O-CB 3.46Å; A86-M89 HydrophobicContact CB-CB 3.94Å; A86-M89 HydrophobicContact CB-CG 3.66Å; A86-M89 CarbonylContact O-C 2.86Å; A86-M89 WeakPolarHBondContact O-CA 3.45Å; A86-M89 WeakPolarHBondContact O-CB 3.4Å; A86-M89 PolarHBondContact O-N 3.43Å; M89-A92 WeakPolarHBondContact O-CB 3.23Å; M89-A92 PolarHBondContact O-N 2.78Å; M89-A93 WeakPolarHBondContact O-CB 3.31Å; M89-A93 PolarHBondContact O-N 3.46Å; M89-L108 HydrophobicContact CE-CD2 3.42Å; M89-L108 VanDerWaalsContact CE-CD2 3.42Å; M89-L108 HydrophobicContact SD-CD2 4.23Å; M89-L111 HydrophobicContact CE-CB 4.48Å; M89-L111 HydrophobicContact CG-CD1 4.35Å; M89-L111 HydrophobicContact SD-CB 3.31Å; M89-L111 WeakPolarHBondContact SD-CB 3.2Å; M89-L111 HydrophobicContact SD-CD1 3.26Å; M89-L111 WeakPolarHBondContact SD-CD1 3.14Å; M89-L111 HydrophobicContact SD-CD2 4.43Å; M89-L111 HydrophobicContact SD-CG 3.79Å; M89-Q115 VanDerWaalsContact CE-OE1 3.27Å
90	W	66.1	Low	68.2	Low	73 Å²	73	57.4 Å²	57.4	28%	0.277	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-45.5	175.8	-169	-95.7	0	0	0	110.9	F83 A86 A92 A93 S94 F259	F83-W90 AromaticContact CE2-CE3 3.98Å; F83-W90 HydrophobicContact CE2-CE3 3.98Å; F83-W90 AromaticContact CE2-CZ3 3.95Å; F83-W90 HydrophobicContact CE2-CZ3 3.95Å; A86-W90 PolarHBondContact O-N 2.93Å; W90-A92 VanDerWaalsContact C-N 3.29Å; W90-A92 PolarHBondContact O-N 2.88Å; W90-A93 PolarHBondContact O-N 3.47Å; W90-S94 PolarHBondContact NE1-OG 3.29Å; W90-S94 WeakPolarHBondContact O-CA 3.42Å; W90-S94 WeakPolarHBondContact O-CB 3.43Å; W90-S94 PolarHBondContact O-N 3.18Å; W90-F259 HydrophobicContact CE3-CD2 4.45Å; W90-F259 HydrophobicContact CE3-CE2 4.13Å; W90-F259 HydrophobicContact CE3-CZ 4.41Å; W90-F259 HydrophobicContact CH2-CE1 4.23Å; W90-F259 HydrophobicContact CH2-CZ 4.29Å; W90-F259 HydrophobicContact CZ3-CD1 4.11Å; W90-F259 AromaticContact CZ3-CD2 3.94Å; W90-F259 HydrophobicContact CZ3-CD2 3.94Å; W90-F259 AromaticContact CZ3-CE1 3.81Å; W90-F259 HydrophobicContact CZ3-CE1 3.81Å; W90-F259 AromaticContact CZ3-CE2 3.64Å; W90-F259 HydrophobicContact CZ3-CE2 3.64Å; W90-F259 HydrophobicContact CZ3-CG 4.17Å; W90-F259 AromaticContact CZ3-CZ 3.57Å; W90-F259 HydrophobicContact CZ3-CZ 3.57Å
91	L	63.9	Low	67.6	Low	85 Å²	85	58.4 Å²	58.4	45%	0.445	30%	0.299	S	S	.	.	H	α-helix	trans	-59.8	-40.2	173.2	-70.3	165.4	0	0	0	112	P87 R88 Q95	P87-L91 WeakPolarHBondContact O-CD1 3.39Å; P87-L91 VanDerWaalsContact O-CG 3.22Å; P87-L91 WeakPolarHBondContact O-CG 3.38Å; P87-L91 PolarHBondContact O-N 2.82Å; R88-L91 PolarHBondContact O-N 2.89Å; L91-Q95 HydrophobicContact CD2-CG 4.36Å
92	A	63.4	Low	67.3	Low	2 Å²	2	62.5 Å²	62.5	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-68.7	-37.8	178	0	0	0	0	0	113.8	R88 M89 W90 L107 L111	R88-A92 WeakPolarHBondContact O-CB 3.13Å; R88-A92 PolarHBondContact O-N 3.31Å; M89-A92 WeakPolarHBondContact O-CB 3.23Å; M89-A92 PolarHBondContact O-N 2.78Å; W90-A92 VanDerWaalsContact C-N 3.29Å; W90-A92 PolarHBondContact O-N 2.88Å; A92-L107 HydrophobicContact CB-CB 4.39Å; A92-L107 HydrophobicContact CB-CD2 3.24Å; A92-L107 HydrophobicContact CB-CG 3.62Å; A92-L111 HydrophobicContact CB-CD1 4.15Å
93	A	62	Low	67	Low	3 Å²	3	68 Å²	68	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-99.7	-34.4	-169.2	0	0	0	0	0	114	K81 F83 M89 W90 L108	K81-A93 PolarHBondContact NZ-O 3.01Å; F83-A93 HydrophobicContact CB-CB 4.17Å; F83-A93 HydrophobicContact CD1-CB 3.81Å; F83-A93 HydrophobicContact CD2-CB 3.52Å; F83-A93 HydrophobicContact CE1-CB 4Å; F83-A93 HydrophobicContact CE2-CB 3.72Å; F83-A93 HydrophobicContact CG-CB 3.56Å; F83-A93 HydrophobicContact CZ-CB 3.94Å; M89-A93 WeakPolarHBondContact O-CB 3.31Å; M89-A93 PolarHBondContact O-N 3.46Å; W90-A93 PolarHBondContact O-N 3.47Å; A93-L108 HydrophobicContact CB-CD2 4.28Å
94	S	60.2	Low	66.9	Low	41 Å²	41	68.4 Å²	68.4	29%	0.287	34%	0.342	S	S	.	.	H	α-helix	trans	-101	-13.1	-167.9	124.3	0	0	0	0	114	W90 R96	W90-S94 PolarHBondContact NE1-OG 3.29Å; W90-S94 WeakPolarHBondContact O-CA 3.42Å; W90-S94 WeakPolarHBondContact O-CB 3.43Å; W90-S94 PolarHBondContact O-N 3.18Å; S94-R96 PolarHBondContact O-N 2.94Å
95	Q	57.1	Low	67	Low	70 Å²	70	67.3 Å²	67.3	33%	0.327	34%	0.338	S	S	.	.			trans	-79.4	117.4	-176.6	-72.8	-164.5	-23	0	0	112.4	L91	L91-Q95 HydrophobicContact CD2-CG 4.36Å
96	R	55.3	Low	67.4	Low	175 Å²	175	68.6 Å²	68.6	66%	0.66	35%	0.353	S	S	*	.	S	Bend	trans	-58.9	164.6	161.7	-59.2	-176.6	175.7	-176.4	-2.4	109.9	S94 L98	S94-R96 PolarHBondContact O-N 2.94Å; R96-L98 PolarHBondContact O-N 3.21Å
97	P	55.3	Low	67.7	Low	128 Å²	128	70.4 Å²	70.4	83%	0.831	36%	0.36	S	S	*	.	S	Bend		-64.5	24.1	-104	40.1	-35.8	0	0	0	117.4	F99	P97-F99 PolarHBondContact O-N 3.2Å; P97-F99 VanDerWaalsContact O-N 3.14Å
98	L	58.7	Low	68.1	Low	129 Å²	129	65.9 Å²	65.9	68%	0.675	33%	0.33	S	S	*	.	S	Bend	trans	-65.1	-18.1	-173.1	-76.1	160.2	0	0	0	115	R96	R96-L98 PolarHBondContact O-N 3.21Å
99	F	64.9	Low	68.7	Low	64 Å²	64	61.6 Å²	61.6	28%	0.281	32%	0.319	S	S	.	.	S	Bend	trans	-126.7	135.6	-179.4	-64	-72	0	0	0	110.6	P97 K103 R104	P97-F99 PolarHBondContact O-N 3.2Å; P97-F99 VanDerWaalsContact O-N 3.14Å; F99-K103 HydrophobicContact CB-CB 4.48Å; F99-K103 HydrophobicContact CD1-CD 3.72Å; F99-K103 HydrophobicContact CD1-CG 3.93Å; F99-K103 HydrophobicContact CE1-CD 4.4Å; F99-R104 HydrophobicContact CB-CG 3.79Å
100	S	71.1	Confident	69	Low	72 Å²	72	65.6 Å²	65.6	50%	0.503	35%	0.348	S	S	.	.			trans	-60.4	152.6	169.6	63.4	0	0	0	0	110.7	F102 K103 R104	S100-F102 VanDerWaalsContact C-N 3.27Å; S100-F102 PolarHBondContact O-N 3.15Å; S100-K103 WeakPolarHBondContact O-CA 3.26Å; S100-K103 WeakPolarHBondContact O-CB 3.49Å; S100-K103 PolarHBondContact O-N 3.24Å; S100-K103 VanDerWaalsContact OG-CB 3.26Å; S100-K103 WeakPolarHBondContact OG-CB 3.19Å; S100-K103 PolarHBondContact OG-N 3.17Å; S100-R104 PolarHBondContact O-N 3.36Å
101	C	76.1	Confident	69.3	Low	20 Å²	20	65.4 Å²	65.4	14%	0.135	35%	0.351	C	S	.	.	H	α-helix	trans	-50.1	-47.5	178.7	-173.5	0	0	0	0	111.7	K103 R104 Q105 C265	C101-K103 PolarHBondContact O-N 2.76Å; C101-R104 WeakPolarHBondContact O-CB 3.38Å; C101-R104 PolarHBondContact O-N 2.9Å; C101-Q105 WeakPolarHBondContact O-CG 3.42Å; C101-Q105 PolarHBondContact O-N 3.34Å; C101-C265 HydrophobicContact CB-CB 3.88Å; C101-C265 WeakPolarHBondContact CB-SG 3.25Å; C101-C265 WeakPolarHBondContact SG-CA 3.5Å; C101-C265 WeakPolarHBondContact SG-CB 3.2Å; C101-C265 CovalentContact SG-SG 2.02Å; C101-C265 PolarHBondContact SG-SG 3.43Å
102	F	78.5	Confident	69.7	Low	88 Å²	88	62.7 Å²	62.7	39%	0.386	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-39.7	175.5	-67.9	-74.7	0	0	0	113.7	S100 Q105 A106 C265 E267	S100-F102 VanDerWaalsContact C-N 3.27Å; S100-F102 PolarHBondContact O-N 3.15Å; F102-Q105 PolarHBondContact O-N 3.09Å; F102-A106 WeakPolarHBondContact O-CB 3.4Å; F102-A106 PolarHBondContact O-N 2.85Å; F102-C265 HydrophobicContact CD1-CB 4.19Å; F102-C265 HydrophobicContact CD2-CB 4.32Å; F102-C265 HydrophobicContact CE1-CB 3.75Å; F102-C265 HydrophobicContact CE2-CB 3.89Å; F102-C265 HydrophobicContact CG-CB 4.45Å; F102-C265 HydrophobicContact CZ-CB 3.57Å; F102-E267 HydrophobicContact CE1-CG 4.48Å; F102-E267 HydrophobicContact CE2-CG 3.67Å; F102-E267 HydrophobicContact CZ-CG 3.43Å; F102-E267 VanDerWaalsContact CZ-CG 3.43Å
103	K	77.8	Confident	70	Confident	120 Å²	120	66 Å²	66	52%	0.522	37%	0.367	S	S	.	.	H	α-helix	trans	-69	-35.5	178.6	-171	164.9	175.6	-173.2	0	111.6	F99 S100 C101 L107	F99-K103 HydrophobicContact CB-CB 4.48Å; F99-K103 HydrophobicContact CD1-CD 3.72Å; F99-K103 HydrophobicContact CD1-CG 3.93Å; F99-K103 HydrophobicContact CE1-CD 4.4Å; S100-K103 WeakPolarHBondContact O-CA 3.26Å; S100-K103 WeakPolarHBondContact O-CB 3.49Å; S100-K103 PolarHBondContact O-N 3.24Å; S100-K103 VanDerWaalsContact OG-CB 3.26Å; S100-K103 WeakPolarHBondContact OG-CB 3.19Å; S100-K103 PolarHBondContact OG-N 3.17Å; C101-K103 PolarHBondContact O-N 2.76Å; K103-L107 VanDerWaalsContact O-CB 3.27Å; K103-L107 WeakPolarHBondContact O-CB 3.4Å; K103-L107 PolarHBondContact O-N 3.06Å
104	R	76.1	Confident	70.4	Confident	13 Å²	13	70.1 Å²	70.1	5%	0.049	39%	0.389	C	S	.	.	H	α-helix	trans	-61.4	-48.9	170.5	-73.6	171.2	26.6	160.7	-12.5	111.2	E49 F99 S100 C101 L107 L108 D263	E49-R104 PolarHBondContact O-NH1 3.28Å; E49-R104 PolarHBondContact O-NH2 2.8Å; E49-R104 VanDerWaalsContact O-NH2 3.1Å; F99-R104 HydrophobicContact CB-CG 3.79Å; S100-R104 PolarHBondContact O-N 3.36Å; C101-R104 WeakPolarHBondContact O-CB 3.38Å; C101-R104 PolarHBondContact O-N 2.9Å; R104-L107 PolarHBondContact O-N 3.36Å; R104-L108 WeakPolarHBondContact O-CG 3.4Å; R104-L108 PolarHBondContact O-N 3.5Å; R104-D263 IonicContact CZ-OD1 3.34Å; R104-D263 IonicContact NH2-OD1 2.63Å; R104-D263 PolarHBondContact NH2-OD1 3.46Å
105	Q	78.5	Confident	71.3	Confident	9 Å²	9	68.4 Å²	68.4	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-44.6	178.6	-70.1	-172.7	0.8	0	0	112.1	C101 F102 L107 L108 N109 L116 D263 C265	C101-Q105 WeakPolarHBondContact O-CG 3.42Å; C101-Q105 PolarHBondContact O-N 3.34Å; F102-Q105 PolarHBondContact O-N 3.09Å; Q105-L107 VanDerWaalsContact C-N 3.32Å; Q105-L107 PolarHBondContact O-N 3.48Å; Q105-L108 PolarHBondContact O-N 3.26Å; Q105-N109 WeakPolarHBondContact O-CB 3.49Å; Q105-N109 PolarHBondContact O-N 2.84Å; Q105-L116 HydrophobicContact CB-CD2 4.48Å; Q105-L116 HydrophobicContact CG-CD2 4.37Å; Q105-D263 VanDerWaalsContact CG-OD2 3.28Å; Q105-D263 WeakPolarHBondContact CG-OD2 3.46Å; Q105-D263 PolarHBondContact NE2-OD2 3.49Å; Q105-C265 PolarHBondContact NE2-SG 3.42Å
106	A	78.4	Confident	72.5	Confident	60 Å²	60	66 Å²	66	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-42	176.8	0	0	0	0	0	111.8	F102 S110	F102-A106 WeakPolarHBondContact O-CB 3.4Å; F102-A106 PolarHBondContact O-N 2.85Å; A106-S110 WeakPolarHBondContact O-CB 3.33Å; A106-S110 PolarHBondContact O-N 3.24Å
107	L	76.6	Confident	73.9	Confident	60 Å²	60	59.2 Å²	59.2	31%	0.314	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-42.2	178.5	-173.6	60.2	0	0	0	111.7	A92 K103 R104 Q105 S110 L111	A92-L107 HydrophobicContact CB-CB 4.39Å; A92-L107 HydrophobicContact CB-CD2 3.24Å; A92-L107 HydrophobicContact CB-CG 3.62Å; K103-L107 VanDerWaalsContact O-CB 3.27Å; K103-L107 WeakPolarHBondContact O-CB 3.4Å; K103-L107 PolarHBondContact O-N 3.06Å; R104-L107 PolarHBondContact O-N 3.36Å; Q105-L107 VanDerWaalsContact C-N 3.32Å; Q105-L107 PolarHBondContact O-N 3.48Å; L107-S110 PolarHBondContact O-N 3.43Å; L107-S110 PolarHBondContact O-OG 3.43Å; L107-L111 HydrophobicContact CD1-CD1 4.38Å; L107-L111 HydrophobicContact CG-CD1 4.15Å; L107-L111 WeakPolarHBondContact O-CD1 3.28Å; L107-L111 VanDerWaalsContact O-CG 3.29Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-L111 VanDerWaalsContact O-N 3.16Å
108	L	76.3	Confident	75.5	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-48.7	176.7	-74.9	161.9	0	0	0	112.4	K81 F83 M89 A93 R104 Q105 S110 L111 S112 Q115	K81-L108 HydrophobicContact CD-CD1 3.4Å; K81-L108 HydrophobicContact CG-CD1 3.74Å; F83-L108 HydrophobicContact CB-CD2 4.03Å; M89-L108 HydrophobicContact CE-CD2 3.42Å; M89-L108 VanDerWaalsContact CE-CD2 3.42Å; M89-L108 HydrophobicContact SD-CD2 4.23Å; A93-L108 HydrophobicContact CB-CD2 4.28Å; R104-L108 WeakPolarHBondContact O-CG 3.4Å; R104-L108 PolarHBondContact O-N 3.5Å; Q105-L108 PolarHBondContact O-N 3.26Å; L108-S110 PolarHBondContact O-N 3Å; L108-L111 PolarHBondContact O-N 3.46Å; L108-S112 PolarHBondContact O-N 3.49Å; L108-Q115 PolarHBondContact O-OE1 2.95Å
109	N	77.8	Confident	76.8	Confident	76 Å²	76	49.8 Å²	49.8	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-31.7	175.8	-75.6	-13.9	0	0	0	112.2	Q105 L111 S112	Q105-N109 WeakPolarHBondContact O-CB 3.49Å; Q105-N109 PolarHBondContact O-N 2.84Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-S112 CarbonylContact O-C 3.58Å
110	S	75.6	Confident	77.8	Confident	86 Å²	86	48.1 Å²	48.1	60%	0.601	28%	0.276	S	S	*	.	H	α-helix	trans	-71.2	-27.8	175.5	79.3	0	0	0	0	113.6	A106 L107 L108	A106-S110 WeakPolarHBondContact O-CB 3.33Å; A106-S110 PolarHBondContact O-N 3.24Å; L107-S110 PolarHBondContact O-N 3.43Å; L107-S110 PolarHBondContact O-OG 3.43Å; L108-S110 PolarHBondContact O-N 3Å
111	L	72.2	Confident	78.5	Confident	68 Å²	68	46.1 Å²	46.1	36%	0.356	26%	0.261	S	S	.	.	H	α-helix	trans	-85.1	-35.5	-178.8	-70.9	161.7	0	0	0	111.3	M89 A92 L107 L108 N109	M89-L111 HydrophobicContact CE-CB 4.48Å; M89-L111 HydrophobicContact CG-CD1 4.35Å; M89-L111 HydrophobicContact SD-CB 3.31Å; M89-L111 WeakPolarHBondContact SD-CB 3.2Å; M89-L111 HydrophobicContact SD-CD1 3.26Å; M89-L111 WeakPolarHBondContact SD-CD1 3.14Å; M89-L111 HydrophobicContact SD-CD2 4.43Å; M89-L111 HydrophobicContact SD-CG 3.79Å; A92-L111 HydrophobicContact CB-CD1 4.15Å; L107-L111 HydrophobicContact CD1-CD1 4.38Å; L107-L111 HydrophobicContact CG-CD1 4.15Å; L107-L111 WeakPolarHBondContact O-CD1 3.28Å; L107-L111 VanDerWaalsContact O-CG 3.29Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-L111 VanDerWaalsContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 3.46Å; N109-L111 VanDerWaalsContact C-N 3.34Å
112	S	71.8	Confident	78.8	Confident	28 Å²	28	52.5 Å²	52.5	20%	0.196	29%	0.287	C	S	.	.			trans	-159.2	140.6	166.4	47.3	0	0	0	0	112.2	W84 L108 N109 Q115	W84-S112 WeakPolarHBondContact CH2-OG 3.46Å; W84-S112 WeakPolarHBondContact CZ3-OG 3.42Å; L108-S112 PolarHBondContact O-N 3.49Å; N109-S112 CarbonylContact O-C 3.58Å; S112-Q115 VanDerWaalsContact OG-CG 3.26Å; S112-Q115 WeakPolarHBondContact OG-CG 3.29Å; S112-Q115 PolarHBondContact OG-NE2 2.9Å; S112-Q115 VanDerWaalsContact OG-NE2 3.07Å; S112-Q115 PolarHBondContact OG-OE1 3.48Å
113	A	68.9	Low	79	Confident	71 Å²	71	54.4 Å²	54.4	59%	0.587	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	156.1	170	0	0	0	0	0	111.5	Q115	A113-Q115 PolarHBondContact O-N 3.26Å
114	N	71.8	Confident	79.2	Confident	91 Å²	91	50.7 Å²	50.7	49%	0.487	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	27.2	171.4	-56.1	-6.8	0	0	0	116.3
115	Q	78.4	Confident	79.6	Confident	5 Å²	5	60.9 Å²	60.9	2%	0.023	32%	0.323	C	S	.	.			trans	-89	-13.2	172.1	-80.8	-169.6	-43.4	0	0	114.8	S82 W84 M89 L108 S112 A113	S82-Q115 PolarHBondContact N-O 2.89Å; S82-Q115 WeakPolarHBondContact O-CB 3.33Å; S82-Q115 WeakPolarHBondContact O-CG 3.4Å; S82-Q115 PolarHBondContact O-NE2 3.08Å; S82-Q115 PolarHBondContact OG-O 2.89Å; W84-Q115 HydrophobicContact CZ3-CG 4.47Å; M89-Q115 VanDerWaalsContact CE-OE1 3.27Å; L108-Q115 PolarHBondContact O-OE1 2.95Å; S112-Q115 VanDerWaalsContact OG-CG 3.26Å; S112-Q115 WeakPolarHBondContact OG-CG 3.29Å; S112-Q115 PolarHBondContact OG-NE2 2.9Å; S112-Q115 VanDerWaalsContact OG-NE2 3.07Å; S112-Q115 PolarHBondContact OG-OE1 3.48Å; A113-Q115 PolarHBondContact O-N 3.26Å
116	L	82.2	Confident	80	Confident	19 Å²	19	64 Å²	64	10%	0.099	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109.9	-173.9	-167.3	70.3	0	0	0	107.6	K79 L80 K81 Q105	K79-L116 HydrophobicContact CB-CD1 3.59Å; K79-L116 HydrophobicContact CB-CG 3.98Å; K79-L116 HydrophobicContact CD-CD1 3.87Å; K79-L116 HydrophobicContact CD-CD2 3.44Å; K79-L116 VanDerWaalsContact CD-CD2 3.44Å; K79-L116 HydrophobicContact CD-CG 3.63Å; K79-L116 HydrophobicContact CG-CD1 4.38Å; K79-L116 HydrophobicContact CG-CG 4.39Å; L80-L116 WeakPolarHBondContact O-CA 3.06Å; K81-L116 HydrophobicContact CB-CD1 4.26Å; Q105-L116 HydrophobicContact CB-CD2 4.48Å; Q105-L116 HydrophobicContact CG-CD2 4.37Å
117	F	85.9	Confident	80.6	Confident	33 Å²	33	61.7 Å²	61.7	15%	0.145	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.9	176	-53.3	-87.9	0	0	0	108.5	F67 K79 L80 L119 W126 I248	F67-F117 HydrophobicContact CE1-CD1 4.3Å; F67-F117 HydrophobicContact CE1-CG 4.24Å; F67-F117 HydrophobicContact CZ-CB 4.31Å; F67-F117 HydrophobicContact CZ-CD1 4.46Å; F67-F117 HydrophobicContact CZ-CG 4.36Å; K79-F117 CarbonylContact C-O 3.5Å; K79-F117 VanDerWaalsContact CA-O 3.3Å; K79-F117 WeakPolarHBondContact CA-O 3.28Å; L80-F117 HydrophobicContact CB-CB 4.2Å; L80-F117 HydrophobicContact CB-CD2 4.33Å; L80-F117 HydrophobicContact CD2-CD2 3.81Å; L80-F117 HydrophobicContact CD2-CE2 4.43Å; L80-F117 HydrophobicContact CD2-CG 4.49Å; L80-F117 HydrophobicContact CG-CD2 4.18Å; L80-F117 PolarHBondContact N-O 3.33Å; L80-F117 PolarHBondContact O-N 3.41Å; F117-L119 PolarHBondContact O-N 2.88Å; F117-W126 AromaticContact CD1-CZ3 3.87Å; F117-W126 HydrophobicContact CD1-CZ3 3.87Å; F117-W126 HydrophobicContact CE1-CZ3 4.29Å; F117-I248 HydrophobicContact CE1-CD1 4.07Å
118	H	87.1	Confident	81.2	Confident	57 Å²	57	64 Å²	64	26%	0.264	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.1	-177.4	-75.4	-112.1	0	0	0	108.4	K79 D120 M123 D124	K79-H118 VanDerWaalsContact CE-CE1 3.43Å; K79-H118 WeakPolarHBondContact CE-CE1 3Å; H118-D120 PolarHBondContact O-N 2.92Å; H118-M123 HydrophobicContact CB-CB 3.74Å; H118-M123 HydrophobicContact CB-CG 4.3Å; H118-D124 WeakPolarHBondContact CB-OD2 3.3Å; H118-D124 PolarHBondContact N-OD2 3.33Å; H118-D124 VanDerWaalsContact N-OD2 3.08Å; H118-D124 WeakPolarHBondContact O-CB 3.43Å
119	L	86.6	Confident	81.7	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.343	C	S	.	.			trans	-85.6	54.9	-179.6	-56.7	-174.9	0	0	0	110.1	F67 F69 F71 L76 V78 L80 F117 C243 F262	F67-L119 HydrophobicContact CE2-CD2 4.09Å; F69-L119 HydrophobicContact CD2-CD1 3.51Å; F69-L119 HydrophobicContact CD2-CD2 3.64Å; F69-L119 HydrophobicContact CD2-CG 4.24Å; F69-L119 HydrophobicContact CE2-CD1 3.85Å; F69-L119 HydrophobicContact CE2-CD2 3.83Å; F69-L119 HydrophobicContact CG-CD1 4.12Å; F71-L119 HydrophobicContact CE1-CB 4.19Å; F71-L119 HydrophobicContact CZ-CB 4.11Å; F71-L119 WeakPolarHBondContact CZ-O 3.43Å; L76-L119 WeakPolarHBondContact CD2-O 3.24Å; V78-L119 HydrophobicContact CB-CB 4.33Å; V78-L119 HydrophobicContact CG1-CB 4.4Å; V78-L119 HydrophobicContact CG1-CD1 3.95Å; V78-L119 WeakPolarHBondContact O-CB 3.22Å; V78-L119 PolarHBondContact O-N 3.44Å; L80-L119 HydrophobicContact CB-CD1 4.3Å; L80-L119 HydrophobicContact CB-CD2 4.46Å; L80-L119 HydrophobicContact CB-CG 4.43Å; F117-L119 PolarHBondContact O-N 2.88Å; L119-C243 HydrophobicContact CD2-CB 4.46Å; L119-F262 HydrophobicContact CD1-CD1 4.2Å; L119-F262 HydrophobicContact CD1-CE1 3.9Å
120	D	86	Confident	81.8	Confident	30 Å²	30	67.1 Å²	67.1	16%	0.16	33%	0.331	C	S	.	.			trans	-130.4	124.7	-176.8	-169.2	-32.4	0	0	0	109.7	L76 H118 F122 M123 D124	L76-D120 HydrophobicContact CD2-CB 4.21Å; H118-D120 PolarHBondContact O-N 2.92Å; D120-F122 PolarHBondContact O-N 3.24Å; D120-F122 VanDerWaalsContact O-N 3.08Å; D120-F122 WeakPolarHBondContact OD1-CB 3.49Å; D120-F122 VanDerWaalsContact OD1-CD2 3.23Å; D120-F122 WeakPolarHBondContact OD1-CD2 3.4Å; D120-F122 PolarHBondContact OD1-N 3.08Å; D120-M123 HydrophobicContact CB-CB 4.17Å; D120-M123 HydrophobicContact CB-CG 4.11Å; D120-M123 PolarHBondContact O-N 3.48Å; D120-D124 PolarHBondContact O-N 2.99Å
121	P	85.1	Confident	81.7	Confident	29 Å²	29	67.2 Å²	67.2	19%	0.188	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-26.4	175	-24.7	32.3	0	0	0	114.9	C127 R129 I241	P121-C127 WeakPolarHBondContact CA-O 3.19Å; P121-C127 HydrophobicContact CB-CB 4.39Å; P121-C127 HydrophobicContact CG-CB 4.04Å; P121-R129 HydrophobicContact CB-CG 4.37Å; P121-R129 HydrophobicContact CG-CG 3.94Å; P121-I241 HydrophobicContact CG-CG1 4.45Å; P121-I241 HydrophobicContact CG-CG2 4.21Å
122	F	84.3	Confident	81.4	Confident	155 Å²	155	65.1 Å²	65.1	68%	0.68	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-25.2	178.2	-63.4	-66.4	0	0	0	113.6	D120	D120-F122 PolarHBondContact O-N 3.24Å; D120-F122 VanDerWaalsContact O-N 3.08Å; D120-F122 WeakPolarHBondContact OD1-CB 3.49Å; D120-F122 VanDerWaalsContact OD1-CD2 3.23Å; D120-F122 WeakPolarHBondContact OD1-CD2 3.4Å; D120-F122 PolarHBondContact OD1-N 3.08Å
123	M	82.5	Confident	80.9	Confident	128 Å²	128	66.5 Å²	66.5	63%	0.631	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-41.1	-175.7	-66.4	-67.5	-153.9	0	0	111.9	H118 D120	H118-M123 HydrophobicContact CB-CB 3.74Å; H118-M123 HydrophobicContact CB-CG 4.3Å; D120-M123 HydrophobicContact CB-CB 4.17Å; D120-M123 HydrophobicContact CB-CG 4.11Å; D120-M123 PolarHBondContact O-N 3.48Å
124	D	81.2	Confident	80.3	Confident	42 Å²	42	69.7 Å²	69.7	23%	0.225	34%	0.338	C	S	.	.			trans	-127.1	128.1	-175	-80.6	-44.1	0	0	0	111	H118 D120 W126 C127	H118-D124 WeakPolarHBondContact CB-OD2 3.3Å; H118-D124 PolarHBondContact N-OD2 3.33Å; H118-D124 VanDerWaalsContact N-OD2 3.08Å; H118-D124 WeakPolarHBondContact O-CB 3.43Å; D120-D124 PolarHBondContact O-N 2.99Å; D124-W126 PolarHBondContact O-N 2.96Å; D124-C127 PolarHBondContact O-N 2.86Å; D124-C127 VanDerWaalsContact O-N 3.16Å
125	R	85.3	Confident	79.6	Confident	227 Å²	227	72.4 Å²	72.4	86%	0.857	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.5	179.2	-63.2	-174.3	-174.3	-176.9	2	114	C127	R125-C127 VanDerWaalsContact C-N 3.25Å
126	W	87.2	Confident	78.8	Confident	75 Å²	75	73.9 Å²	73.9	28%	0.284	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-14.7	177.7	-57.4	-19.3	0	0	0	112.3	F67 F117 D124 C243 Q244 P246 I248	F67-W126 HydrophobicContact CE1-CE3 4.46Å; F67-W126 HydrophobicContact CE1-CZ3 4.22Å; F67-W126 HydrophobicContact CE2-CE3 4.34Å; F67-W126 AromaticContact CZ-CE3 3.66Å; F67-W126 HydrophobicContact CZ-CE3 3.66Å; F67-W126 AromaticContact CZ-CZ3 3.81Å; F67-W126 HydrophobicContact CZ-CZ3 3.81Å; F117-W126 AromaticContact CD1-CZ3 3.87Å; F117-W126 HydrophobicContact CD1-CZ3 3.87Å; F117-W126 HydrophobicContact CE1-CZ3 4.29Å; D124-W126 PolarHBondContact O-N 2.96Å; W126-C243 CarbonylContact O-C 3.49Å; W126-C243 VanDerWaalsContact O-CA 3.25Å; W126-C243 WeakPolarHBondContact O-CA 3.46Å; W126-Q244 WeakPolarHBondContact CB-O 3.28Å; W126-Q244 PolarHBondContact O-N 3.4Å; W126-P246 HydrophobicContact CZ2-CG 3.95Å; W126-I248 HydrophobicContact CH2-CD1 3.7Å; W126-I248 HydrophobicContact CH2-CG1 4.21Å; W126-I248 HydrophobicContact CZ3-CD1 3.85Å
127	C	89.7	Confident	77.8	Confident	10 Å²	10	77 Å²	77	7%	0.068	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.2	179.6	-64.8	0	0	0	0	111.2	P121 D124 R125 I241 Y242 C243	P121-C127 WeakPolarHBondContact CA-O 3.19Å; P121-C127 HydrophobicContact CB-CB 4.39Å; P121-C127 HydrophobicContact CG-CB 4.04Å; D124-C127 PolarHBondContact O-N 2.86Å; D124-C127 VanDerWaalsContact O-N 3.16Å; R125-C127 VanDerWaalsContact C-N 3.25Å; C127-I241 HydrophobicContact CB-CG2 4.39Å; C127-Y242 CarbonylContact C-O 3.57Å; C127-Y242 WeakPolarHBondContact CA-O 3.19Å; C127-C243 HydrophobicContact CB-CB 4.1Å; C127-C243 WeakPolarHBondContact CB-SG 3.37Å; C127-C243 WeakPolarHBondContact SG-CB 3.32Å; C127-C243 CovalentContact SG-SG 2.04Å; C127-C243 PolarHBondContact SG-SG 3.36Å
128	Q	89.4	Confident	76.6	Confident	108 Å²	108	80 Å²	80	51%	0.505	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.3	175.9	63.7	-178.2	8	0	0	110.8	I130 Y242	Q128-I130 HydrophobicContact CG-CD1 4.43Å; Q128-I130 HydrophobicContact CG-CG1 4.11Å; Q128-Y242 HydrophobicContact CG-CD1 4.17Å; Q128-Y242 PolarHBondContact N-O 3.44Å; Q128-Y242 PolarHBondContact O-N 3.4Å
129	R	86.3	Confident	75.4	Confident	113 Å²	113	80 Å²	80	43%	0.426	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	128	170.8	-63.3	174	178.8	-124.5	-15.5	108.6	E73 P121 W240	E73-R129 IonicContact OE1-CZ 3.94Å; E73-R129 IonicContact OE1-NE 3.66Å; E73-R129 IonicContact OE1-NH1 3.18Å; E73-R129 PolarHBondContact OE1-NH1 2.81Å; E73-R129 IonicContact OE1-NH2 3.56Å; E73-R129 PolarHBondContact OE1-NH2 2.99Å; E73-R129 IonicContact OE2-CZ 2.85Å; E73-R129 IonicContact OE2-NH1 2.92Å; E73-R129 PolarHBondContact OE2-NH1 3.46Å; P121-R129 HydrophobicContact CB-CG 4.37Å; P121-R129 HydrophobicContact CG-CG 3.94Å; R129-W240 CarbonylContact C-O 3.57Å; R129-W240 WeakPolarHBondContact CA-O 3.31Å
130	I	81.1	Confident	74.3	Confident	33 Å²	33	80 Å²	80	17%	0.169	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.3	176	-57.7	-175.7	0	0	0	107.6	Q128 I217 W240 Y242	Q128-I130 HydrophobicContact CG-CD1 4.43Å; Q128-I130 HydrophobicContact CG-CG1 4.11Å; I130-I217 HydrophobicContact CD1-CD1 3.79Å; I130-W240 HydrophobicContact CB-CB 4.44Å; I130-W240 PolarHBondContact N-O 3.14Å; I130-W240 PolarHBondContact O-N 2.85Å; I130-Y242 HydrophobicContact CD1-CD1 4.16Å; I130-Y242 HydrophobicContact CD1-CG 3.91Å
131	S	73.4	Confident	73.1	Confident	88 Å²	88	81.3 Å²	81.3	62%	0.615	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.1	162.7	52.5	0	0	0	0	108.8	S133 S238	S131-S133 PolarHBondContact O-N 2.98Å; S131-S238 WeakPolarHBondContact CA-O 3.11Å
132	L	66.4	Low	71.9	Confident	24 Å²	24	85.8 Å²	85.8	13%	0.126	41%	0.409	C	S	.	.			trans	-71	98.3	168.4	-83.2	84.4	0	0	0	107.9	I136 L140 W221 S238 W240	L132-I136 HydrophobicContact CB-CG2 4.43Å; L132-I136 HydrophobicContact CD2-CG2 4.32Å; L132-I136 HydrophobicContact CG-CG2 3.99Å; L132-L140 HydrophobicContact CD2-CD1 3.42Å; L132-L140 VanDerWaalsContact CD2-CD1 3.42Å; L132-L140 HydrophobicContact CG-CD1 4.25Å; L132-W221 HydrophobicContact CD2-CD2 4.29Å; L132-W221 HydrophobicContact CD2-CE3 3.57Å; L132-W221 HydrophobicContact CD2-CH2 3.9Å; L132-W221 HydrophobicContact CD2-CZ3 3.37Å; L132-S238 PolarHBondContact N-O 3.39Å; L132-W240 HydrophobicContact CD1-CB 4.49Å; L132-W240 HydrophobicContact CD1-CD2 4.23Å; L132-W240 HydrophobicContact CD1-CG 3.73Å; L132-W240 VanDerWaalsContact CD1-NE1 3.29Å
133	S	60.2	Low	70.6	Confident	58 Å²	58	80.7 Å²	80.7	41%	0.406	39%	0.388	S	S	.	.			trans	-62.9	156.7	168.4	75.6	0	0	0	0	110.4	S131 K135 I136 Y137	S131-S133 PolarHBondContact O-N 2.98Å; S133-K135 PolarHBondContact O-N 3.34Å; S133-I136 WeakPolarHBondContact O-CA 3.36Å; S133-I136 WeakPolarHBondContact O-CB 3.47Å; S133-I136 PolarHBondContact O-N 3.02Å; S133-I136 WeakPolarHBondContact OG-CG1 3.5Å; S133-Y137 PolarHBondContact O-N 2.95Å
134	D	56.1	Low	69.2	Low	138 Å²	138	76.2 Å²	76.2	74%	0.738	37%	0.37	S	S	*	.	H	α-helix	trans	-50.8	-36.1	179.7	-61	-27.8	0	0	0	112.5	I136 Y137 D138	D134-I136 PolarHBondContact O-N 3.4Å; D134-Y137 WeakPolarHBondContact O-CB 3.38Å; D134-Y137 PolarHBondContact O-N 3.28Å; D134-D138 PolarHBondContact O-N 3.42Å
135	K	56.7	Low	67.8	Low	148 Å²	148	79.9 Å²	79.9	64%	0.643	39%	0.389	S	S	*	.	H	α-helix	trans	-64.3	-37.3	175.8	-169.2	177.7	-179.7	-178.1	0	113.4	S133 E139	S133-K135 PolarHBondContact O-N 3.34Å; K135-E139 PolarHBondContact O-N 2.83Å
136	I	61.4	Low	66	Low	35 Å²	35	75.8 Å²	75.8	18%	0.179	38%	0.379	C	S	.	.	H	α-helix	trans	-74.3	-37.5	177.5	-60.4	-179.4	0	0	0	110	L132 S133 D134 D138 E139 L140 F213	L132-I136 HydrophobicContact CB-CG2 4.43Å; L132-I136 HydrophobicContact CD2-CG2 4.32Å; L132-I136 HydrophobicContact CG-CG2 3.99Å; S133-I136 WeakPolarHBondContact O-CA 3.36Å; S133-I136 WeakPolarHBondContact O-CB 3.47Å; S133-I136 PolarHBondContact O-N 3.02Å; S133-I136 WeakPolarHBondContact OG-CG1 3.5Å; D134-I136 PolarHBondContact O-N 3.4Å; I136-D138 VanDerWaalsContact C-N 3.34Å; I136-E139 PolarHBondContact O-N 3.3Å; I136-L140 HydrophobicContact CG2-CD1 3.71Å; I136-L140 HydrophobicContact CG2-CG 4.3Å; I136-L140 VanDerWaalsContact O-CB 3.32Å; I136-L140 WeakPolarHBondContact O-CB 3.21Å; I136-L140 WeakPolarHBondContact O-CG 3.43Å; I136-L140 PolarHBondContact O-N 2.98Å; I136-F213 HydrophobicContact CB-CZ 4.03Å; I136-F213 HydrophobicContact CD1-CE1 4.27Å; I136-F213 HydrophobicContact CD1-CZ 3.85Å; I136-F213 HydrophobicContact CG1-CE1 4.5Å; I136-F213 HydrophobicContact CG1-CE2 4.46Å; I136-F213 HydrophobicContact CG1-CZ 3.67Å; I136-F213 HydrophobicContact CG2-CE1 3.76Å; I136-F213 HydrophobicContact CG2-CE2 4.1Å; I136-F213 HydrophobicContact CG2-CZ 3.4Å; I136-F213 VanDerWaalsContact CG2-CZ 3.4Å
137	Y	61.8	Low	63.6	Low	85 Å²	85	83.2 Å²	83.2	33%	0.333	41%	0.408	S	S	.	.	H	α-helix	trans	-58.7	-46.7	173	-175.2	-89.7	0	0	0	110.8	S133 D134 L140 M141 W221	S133-Y137 PolarHBondContact O-N 2.95Å; D134-Y137 WeakPolarHBondContact O-CB 3.38Å; D134-Y137 PolarHBondContact O-N 3.28Å; Y137-L140 PolarHBondContact O-N 3.2Å; Y137-M141 HydrophobicContact CD1-CG 3.88Å; Y137-M141 HydrophobicContact CE1-CE 4.43Å; Y137-M141 HydrophobicContact CE1-CG 3.61Å; Y137-M141 HydrophobicContact CE1-SD 4.34Å; Y137-M141 HydrophobicContact CG-CG 4.45Å; Y137-M141 VanDerWaalsContact O-CB 3.29Å; Y137-M141 WeakPolarHBondContact O-CB 3.17Å; Y137-M141 WeakPolarHBondContact O-CG 3.28Å; Y137-M141 PolarHBondContact O-N 2.76Å; Y137-W221 AromaticContact CD2-CH2 3.58Å; Y137-W221 HydrophobicContact CD2-CH2 3.58Å; Y137-W221 AromaticContact CD2-CZ2 3.8Å; Y137-W221 HydrophobicContact CD2-CZ2 3.8Å; Y137-W221 AromaticContact CE2-CH2 3.57Å; Y137-W221 HydrophobicContact CE2-CH2 3.57Å; Y137-W221 AromaticContact CE2-CZ2 3.72Å; Y137-W221 HydrophobicContact CE2-CZ2 3.72Å
138	D	60.2	Low	61.3	Low	97 Å²	97	88 Å²	88	52%	0.519	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-45.8	177.2	-72.4	-21.1	0	0	0	112.5	D134 I136 L140 M141 I142	D134-D138 PolarHBondContact O-N 3.42Å; I136-D138 VanDerWaalsContact C-N 3.34Å; D138-L140 PolarHBondContact O-N 3.17Å; D138-M141 PolarHBondContact O-N 3.12Å; D138-I142 VanDerWaalsContact O-CG1 3.3Å; D138-I142 WeakPolarHBondContact O-CG1 3.41Å; D138-I142 PolarHBondContact O-N 2.87Å; D138-I142 VanDerWaalsContact O-N 3.08Å
139	E	62.1	Low	59.1	Low	56 Å²	56	87.9 Å²	87.9	26%	0.262	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-43.4	176.9	-77	-171.5	-168.8	0	0	112.2	K135 I136 I142 I143 T211 F213	K135-E139 PolarHBondContact O-N 2.83Å; I136-E139 PolarHBondContact O-N 3.3Å; E139-I142 PolarHBondContact O-N 3.45Å; E139-I143 WeakPolarHBondContact O-CD1 3.44Å; E139-I143 VanDerWaalsContact O-CG1 3.28Å; E139-I143 WeakPolarHBondContact O-CG1 3.47Å; E139-I143 PolarHBondContact O-N 3.18Å; E139-I143 VanDerWaalsContact O-N 3.07Å; E139-T211 PolarHBondContact OE1-OG1 2.92Å; E139-T211 PolarHBondContact OE2-OG1 3.47Å; E139-F213 WeakPolarHBondContact OE2-CE2 3.05Å
140	L	63.9	Low	57	Low	1 Å²	1	87.1 Å²	87.1	1%	0.005	45%	0.447	C	S	.	.	H	α-helix	trans	-70.3	-31.1	178.4	-75.9	170.5	0	0	0	112.8	L132 I136 Y137 D138 I143 S144 T218 W221	L132-L140 HydrophobicContact CD2-CD1 3.42Å; L132-L140 VanDerWaalsContact CD2-CD1 3.42Å; L132-L140 HydrophobicContact CG-CD1 4.25Å; I136-L140 HydrophobicContact CG2-CD1 3.71Å; I136-L140 HydrophobicContact CG2-CG 4.3Å; I136-L140 VanDerWaalsContact O-CB 3.32Å; I136-L140 WeakPolarHBondContact O-CB 3.21Å; I136-L140 WeakPolarHBondContact O-CG 3.43Å; I136-L140 PolarHBondContact O-N 2.98Å; Y137-L140 PolarHBondContact O-N 3.2Å; D138-L140 PolarHBondContact O-N 3.17Å; L140-I143 PolarHBondContact O-N 3.48Å; L140-S144 WeakPolarHBondContact O-CB 3.38Å; L140-S144 PolarHBondContact O-N 3.48Å; L140-T218 HydrophobicContact CD2-CG2 4.14Å; L140-W221 HydrophobicContact CB-CD2 4.26Å; L140-W221 HydrophobicContact CB-CG 4.04Å; L140-W221 HydrophobicContact CD1-CB 4.35Å; L140-W221 HydrophobicContact CD1-CD2 4.03Å; L140-W221 HydrophobicContact CD1-CE3 4.38Å; L140-W221 HydrophobicContact CD1-CG 4.01Å; L140-W221 HydrophobicContact CD2-CB 4.18Å; L140-W221 HydrophobicContact CD2-CG 4.16Å; L140-W221 HydrophobicContact CG-CG 4.32Å
141	M	61.4	Low	55.5	Low	57 Å²	57	92.4 Å²	92.4	28%	0.281	47%	0.465	S	S	.	.	H	α-helix	trans	-68.7	-36.6	174.7	-77.7	-67.2	-81.6	0	0	112.3	Y137 D138 N145 W221 K225	Y137-M141 HydrophobicContact CD1-CG 3.88Å; Y137-M141 HydrophobicContact CE1-CE 4.43Å; Y137-M141 HydrophobicContact CE1-CG 3.61Å; Y137-M141 HydrophobicContact CE1-SD 4.34Å; Y137-M141 HydrophobicContact CG-CG 4.45Å; Y137-M141 VanDerWaalsContact O-CB 3.29Å; Y137-M141 WeakPolarHBondContact O-CB 3.17Å; Y137-M141 WeakPolarHBondContact O-CG 3.28Å; Y137-M141 PolarHBondContact O-N 2.76Å; D138-M141 PolarHBondContact O-N 3.12Å; M141-N145 PolarHBondContact O-N 3.48Å; M141-W221 HydrophobicContact SD-CZ2 4.45Å; M141-K225 HydrophobicContact SD-CD 4.03Å; M141-K225 WeakPolarHBondContact SD-CE 3.31Å; M141-K225 PolarHBondContact SD-NZ 3.26Å
142	I	60.1	Low	54.3	Low	123 Å²	123	91.2 Å²	91.2	63%	0.631	46%	0.461	S	S	*	.	H	α-helix	trans	-66.3	-47.8	173	-66	164.2	0	0	0	110.1	D138 E139 S144 N145	D138-I142 VanDerWaalsContact O-CG1 3.3Å; D138-I142 WeakPolarHBondContact O-CG1 3.41Å; D138-I142 PolarHBondContact O-N 2.87Å; D138-I142 VanDerWaalsContact O-N 3.08Å; E139-I142 PolarHBondContact O-N 3.45Å; I142-S144 PolarHBondContact O-N 3.09Å; I142-N145 PolarHBondContact O-N 3.32Å
143	I	56.7	Low	53.7	Low	49 Å²	49	92.8 Å²	92.8	25%	0.251	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-42.1	-178.7	-68.4	164.6	0	0	0	111.7	E139 L140 N145	E139-I143 WeakPolarHBondContact O-CD1 3.44Å; E139-I143 VanDerWaalsContact O-CG1 3.28Å; E139-I143 WeakPolarHBondContact O-CG1 3.47Å; E139-I143 PolarHBondContact O-N 3.18Å; E139-I143 VanDerWaalsContact O-N 3.07Å; L140-I143 PolarHBondContact O-N 3.48Å; I143-N145 VanDerWaalsContact C-N 3.26Å; I143-N145 PolarHBondContact O-N 3.37Å
144	S	53.6	Low	53.4	Low	34 Å²	34	93.5 Å²	93.5	24%	0.238	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.1	-175.8	112.3	0	0	0	0	114	L140 I142 E146 K225	L140-S144 WeakPolarHBondContact O-CB 3.38Å; L140-S144 PolarHBondContact O-N 3.48Å; I142-S144 PolarHBondContact O-N 3.09Å; S144-E146 VanDerWaalsContact C-N 3.33Å; S144-K225 WeakPolarHBondContact OG-CD 3.46Å; S144-K225 VanDerWaalsContact OG-CE 3.31Å; S144-K225 WeakPolarHBondContact OG-CE 3.49Å; S144-K225 PolarHBondContact OG-NZ 3.02Å
145	N	51.3	Low	53	Low	118 Å²	118	91.5 Å²	91.5	63%	0.631	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.2	179.8	-105.7	9.7	0	0	0	113	M141 I142 I143 R147	M141-N145 PolarHBondContact O-N 3.48Å; I142-N145 PolarHBondContact O-N 3.32Å; I143-N145 VanDerWaalsContact C-N 3.26Å; I143-N145 PolarHBondContact O-N 3.37Å; N145-R147 PolarHBondContact O-N 3.39Å
146	E	46.1	Very low	53.2	Low	141 Å²	141	88 Å²	88	66%	0.659	45%	0.451	S	S	*	.	S	Bend	trans	-64.6	89.1	160.8	-80.3	174.6	-176.8	0	0	108.2	S144 S148	S144-E146 VanDerWaalsContact C-N 3.33Å; E146-S148 PolarHBondContact O-N 3.4Å
147	R	37.4	Very low	53.3	Low	232 Å²	232	90 Å²	90	88%	0.875	47%	0.465	S	S	*	.			trans	-51.7	132.4	173.8	-75.9	-178.3	-176	174.5	1.9	108.3	N145 I149	N145-R147 PolarHBondContact O-N 3.39Å; R147-I149 PolarHBondContact O-N 3.4Å
148	S	42.7	Very low	53	Low	110 Å²	110	89 Å²	89	77%	0.769	47%	0.467	S	S	*	.			trans	-49	128.6	166.3	58.5	0	0	0	0	108.3	E146 N150	E146-S148 PolarHBondContact O-N 3.4Å; S148-N150 PolarHBondContact O-N 2.68Å
149	I	43.4	Very low	52.9	Low	106 Å²	106	88.9 Å²	88.9	54%	0.544	47%	0.466	S	S	.	.			trans	-55	108.6	177.5	-66.3	170.9	0	0	0	106.7	R147 W151 I154	R147-I149 PolarHBondContact O-N 3.4Å; I149-W151 HydrophobicContact CG2-CD2 4.28Å; I149-W151 HydrophobicContact CG2-CG 4.41Å; I149-W151 VanDerWaalsContact O-CD1 3.3Å; I149-W151 PolarHBondContact O-N 3.42Å; I149-I154 HydrophobicContact CG2-CD1 3.35Å; I149-I154 HydrophobicContact CG2-CG1 4.37Å
150	N	41.1	Very low	52.9	Low	97 Å²	97	91.4 Å²	91.4	52%	0.519	48%	0.481	S	S	.	.			trans	-72.9	87	176.4	-170.7	-10.9	0	0	0	107.4	S148 A152 S153 I154	S148-N150 PolarHBondContact O-N 2.68Å; N150-A152 PolarHBondContact O-N 3.36Å; N150-A152 WeakPolarHBondContact OD1-CB 3.44Å; N150-A152 PolarHBondContact OD1-N 3Å; N150-S153 PolarHBondContact O-N 2.9Å; N150-S153 PolarHBondContact O-OG 2.75Å; N150-I154 PolarHBondContact O-N 2.84Å; N150-I154 VanDerWaalsContact O-N 3.1Å
151	W	49	Very low	52.7	Low	143 Å²	143	99.1 Å²	99.1	54%	0.542	51%	0.514	S	S	.	.	H	α-helix	trans	-54.3	-27.6	178.4	-75.9	99.4	0	0	0	111.9	I149 M155	I149-W151 HydrophobicContact CG2-CD2 4.28Å; I149-W151 HydrophobicContact CG2-CG 4.41Å; I149-W151 VanDerWaalsContact O-CD1 3.3Å; I149-W151 PolarHBondContact O-N 3.42Å; W151-M155 WeakPolarHBondContact O-CB 3.42Å; W151-M155 WeakPolarHBondContact O-CG 3.17Å; W151-M155 PolarHBondContact O-N 2.81Å
152	A	48.2	Very low	52.2	Low	63 Å²	63	100.5 Å²	100.5	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-67.5	-39.4	174.2	0	0	0	0	0	112.3	N150 T156	N150-A152 PolarHBondContact O-N 3.36Å; N150-A152 WeakPolarHBondContact OD1-CB 3.44Å; N150-A152 PolarHBondContact OD1-N 3Å; A152-T156 WeakPolarHBondContact O-CB 3.48Å; A152-T156 WeakPolarHBondContact O-CG2 3.42Å; A152-T156 PolarHBondContact O-N 3.46Å; A152-T156 PolarHBondContact O-OG1 2.97Å
153	S	54.9	Low	51.8	Low	58 Å²	58	97.1 Å²	97.1	41%	0.406	51%	0.509	S	S	.	.	H	α-helix	trans	-71.7	-38	176	89	0	0	0	0	111.9	N150 T156 T157	N150-S153 PolarHBondContact O-N 2.9Å; N150-S153 PolarHBondContact O-OG 2.75Å; S153-T156 VanDerWaalsContact CA-OG1 3.28Å; S153-T156 WeakPolarHBondContact CA-OG1 3.46Å; S153-T156 PolarHBondContact O-OG1 2.84Å; S153-T157 WeakPolarHBondContact O-CB 3.2Å; S153-T157 PolarHBondContact O-N 3.44Å; S153-T157 PolarHBondContact O-OG1 2.72Å
154	I	53.4	Low	51.7	Low	73 Å²	73	96.4 Å²	96.4	37%	0.374	51%	0.514	S	S	.	.	H	α-helix	trans	-67.6	-47.7	175.9	-64.3	-172.2	0	0	0	110.2	I149 N150 T156 T157 V158	I149-I154 HydrophobicContact CG2-CD1 3.35Å; I149-I154 HydrophobicContact CG2-CG1 4.37Å; N150-I154 PolarHBondContact O-N 2.84Å; N150-I154 VanDerWaalsContact O-N 3.1Å; I154-T156 PolarHBondContact O-N 2.97Å; I154-T157 PolarHBondContact O-N 3.45Å; I154-T157 VanDerWaalsContact O-N 3.16Å; I154-V158 HydrophobicContact CG2-CG2 4.19Å; I154-V158 WeakPolarHBondContact O-CB 3.23Å; I154-V158 VanDerWaalsContact O-CG2 3.25Å; I154-V158 WeakPolarHBondContact O-CG2 3.5Å; I154-V158 PolarHBondContact O-N 3.45Å
155	M	47.1	Very low	51.3	Low	96 Å²	96	103 Å²	103	47%	0.473	54%	0.535	S	S	.	.	H	α-helix	trans	-63.7	-39.9	178.3	-72.6	-59.3	-67.5	0	0	111.5	W151 V158 I159	W151-M155 WeakPolarHBondContact O-CB 3.42Å; W151-M155 WeakPolarHBondContact O-CG 3.17Å; W151-M155 PolarHBondContact O-N 2.81Å; M155-V158 PolarHBondContact O-N 3.45Å; M155-I159 VanDerWaalsContact O-CB 3.23Å; M155-I159 WeakPolarHBondContact O-CB 3.25Å; M155-I159 WeakPolarHBondContact O-CD1 3.28Å; M155-I159 WeakPolarHBondContact O-CG1 3.32Å; M155-I159 PolarHBondContact O-N 3.17Å
156	T	60.7	Low	51.1	Low	74 Å²	74	104.1 Å²	104.1	45%	0.454	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-37.7	173.2	48.5	0	0	0	0	112.3	A152 S153 I154 I159 N160	A152-T156 WeakPolarHBondContact O-CB 3.48Å; A152-T156 WeakPolarHBondContact O-CG2 3.42Å; A152-T156 PolarHBondContact O-N 3.46Å; A152-T156 PolarHBondContact O-OG1 2.97Å; S153-T156 VanDerWaalsContact CA-OG1 3.28Å; S153-T156 WeakPolarHBondContact CA-OG1 3.46Å; S153-T156 PolarHBondContact O-OG1 2.84Å; I154-T156 PolarHBondContact O-N 2.97Å; T156-I159 PolarHBondContact O-N 3.31Å; T156-N160 WeakPolarHBondContact O-CB 3.4Å; T156-N160 PolarHBondContact O-N 2.96Å; T156-N160 PolarHBondContact O-ND2 3.37Å
157	T	63.3	Low	51.4	Low	78 Å²	78	102.9 Å²	102.9	48%	0.479	53%	0.532	S	S	.	.	H	α-helix	trans	-67.4	-39.2	175.7	-51.9	0	0	0	0	111.9	S153 I154 K161	S153-T157 WeakPolarHBondContact O-CB 3.2Å; S153-T157 PolarHBondContact O-N 3.44Å; S153-T157 PolarHBondContact O-OG1 2.72Å; I154-T157 PolarHBondContact O-N 3.45Å; I154-T157 VanDerWaalsContact O-N 3.16Å; T157-K161 WeakPolarHBondContact O-CB 3.4Å; T157-K161 PolarHBondContact O-N 2.78Å
158	V	56.3	Low	51.9	Low	62 Å²	62	101.9 Å²	101.9	38%	0.376	53%	0.528	S	S	.	.	H	α-helix	trans	-68.4	-46.1	175.6	170.6	0	0	0	0	110.4	I154 M155 N160 K161 I162	I154-V158 HydrophobicContact CG2-CG2 4.19Å; I154-V158 WeakPolarHBondContact O-CB 3.23Å; I154-V158 VanDerWaalsContact O-CG2 3.25Å; I154-V158 WeakPolarHBondContact O-CG2 3.5Å; I154-V158 PolarHBondContact O-N 3.45Å; M155-V158 PolarHBondContact O-N 3.45Å; V158-N160 VanDerWaalsContact C-N 3.34Å; V158-N160 PolarHBondContact O-N 3.34Å; V158-K161 PolarHBondContact O-N 3.13Å; V158-I162 HydrophobicContact CG1-CD1 3.58Å; V158-I162 HydrophobicContact CG1-CG1 4.32Å; V158-I162 WeakPolarHBondContact O-CB 2.87Å; V158-I162 WeakPolarHBondContact O-CG1 3.3Å; V158-I162 PolarHBondContact O-N 3.5Å
159	I	57.5	Low	51.7	Low	96 Å²	96	101.7 Å²	101.7	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-42.3	175.7	-69.9	164.5	0	0	0	110.5	M155 T156 I162 S163	M155-I159 VanDerWaalsContact O-CB 3.23Å; M155-I159 WeakPolarHBondContact O-CB 3.25Å; M155-I159 WeakPolarHBondContact O-CD1 3.28Å; M155-I159 WeakPolarHBondContact O-CG1 3.32Å; M155-I159 PolarHBondContact O-N 3.17Å; T156-I159 PolarHBondContact O-N 3.31Å; I159-I162 PolarHBondContact O-N 3.17Å; I159-S163 WeakPolarHBondContact O-CB 3.48Å; I159-S163 PolarHBondContact O-N 2.85Å; I159-S163 PolarHBondContact O-OG 3.28Å
160	N	63.5	Low	51.7	Low	108 Å²	108	104.8 Å²	104.8	58%	0.578	53%	0.531	S	S	*	.	H	α-helix	trans	-68.9	-34.9	176.5	-74.1	-17.2	0	0	0	112.8	T156 V158 S163 G164	T156-N160 WeakPolarHBondContact O-CB 3.4Å; T156-N160 PolarHBondContact O-N 2.96Å; T156-N160 PolarHBondContact O-ND2 3.37Å; V158-N160 VanDerWaalsContact C-N 3.34Å; V158-N160 PolarHBondContact O-N 3.34Å; N160-S163 PolarHBondContact O-OG 3.4Å; N160-S163 VanDerWaalsContact O-OG 3.12Å; N160-G164 PolarHBondContact O-N 3.37Å
161	K	59.7	Low	51.7	Low	163 Å²	163	108.1 Å²	108.1	71%	0.709	54%	0.543	S	S	*	.	H	α-helix	trans	-69.4	-40	172.3	-88.9	-176.7	174.2	-179.8	0	112	T157 V158 G164 Y165	T157-K161 WeakPolarHBondContact O-CB 3.4Å; T157-K161 PolarHBondContact O-N 2.78Å; V158-K161 PolarHBondContact O-N 3.13Å; K161-G164 PolarHBondContact O-N 3.36Å; K161-Y165 PolarHBondContact O-N 2.83Å
162	I	50.4	Low	51.1	Low	87 Å²	87	108.2 Å²	108.2	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-68.5	-42.3	176.9	-68.1	168.7	0	0	0	110.1	V158 I159 G164 Y165 F166	V158-I162 HydrophobicContact CG1-CD1 3.58Å; V158-I162 HydrophobicContact CG1-CG1 4.32Å; V158-I162 WeakPolarHBondContact O-CB 2.87Å; V158-I162 WeakPolarHBondContact O-CG1 3.3Å; V158-I162 PolarHBondContact O-N 3.5Å; I159-I162 PolarHBondContact O-N 3.17Å; I162-G164 VanDerWaalsContact C-N 3.34Å; I162-G164 PolarHBondContact O-N 3.04Å; I162-Y165 PolarHBondContact O-N 2.73Å; I162-Y165 VanDerWaalsContact O-N 3.12Å; I162-F166 HydrophobicContact CG2-CD2 3.79Å; I162-F166 HydrophobicContact CG2-CE2 3.92Å; I162-F166 WeakPolarHBondContact O-CD2 3.5Å; I162-F166 PolarHBondContact O-N 2.82Å
163	S	52.1	Low	50.6	Low	52 Å²	52	110.9 Å²	110.9	36%	0.364	56%	0.564	S	S	.	*	H	α-helix	trans	-64.7	-38.4	175.5	78.5	0	0	0	0	111.6	I159 N160 Y165 F166 N167	I159-S163 WeakPolarHBondContact O-CB 3.48Å; I159-S163 PolarHBondContact O-N 2.85Å; I159-S163 PolarHBondContact O-OG 3.28Å; N160-S163 PolarHBondContact O-OG 3.4Å; N160-S163 VanDerWaalsContact O-OG 3.12Å; S163-Y165 VanDerWaalsContact C-N 3.29Å; S163-Y165 PolarHBondContact O-N 3.16Å; S163-F166 PolarHBondContact O-N 3.44Å; S163-N167 WeakPolarHBondContact O-CB 3.43Å; S163-N167 PolarHBondContact O-N 3.08Å
164	G	54.7	Low	49.7	Very low	34 Å²	34	117.3 Å²	117.3	35%	0.351	59%	0.588	S	S	.	*	H	α-helix	trans	-65.4	-27.4	172.2	0	0	0	0	0	114.1	N160 K161 I162 R168	N160-G164 PolarHBondContact O-N 3.37Å; K161-G164 PolarHBondContact O-N 3.36Å; I162-G164 VanDerWaalsContact C-N 3.34Å; I162-G164 PolarHBondContact O-N 3.04Å; G164-R168 WeakPolarHBondContact O-CB 2.94Å; G164-R168 PolarHBondContact O-N 3.05Å
165	Y	45.5	Very low	48.6	Very low	173 Å²	173	124.8 Å²	124.8	68%	0.678	61%	0.612	S	S	*	*	H	α-helix	trans	-80	-37.3	175.1	-145	-87.4	0	0	0	111.9	K161 I162 S163 R168 L169	K161-Y165 PolarHBondContact O-N 2.83Å; I162-Y165 PolarHBondContact O-N 2.73Å; I162-Y165 VanDerWaalsContact O-N 3.12Å; S163-Y165 VanDerWaalsContact C-N 3.29Å; S163-Y165 PolarHBondContact O-N 3.16Å; Y165-R168 PolarHBondContact O-N 3.45Å; Y165-L169 HydrophobicContact CD1-CD1 3.98Å; Y165-L169 HydrophobicContact CE1-CD1 4.32Å; Y165-L169 WeakPolarHBondContact O-CG 3.48Å; Y165-L169 PolarHBondContact O-N 3.39Å
166	F	46.7	Very low	48.1	Very low	141 Å²	141	130.2 Å²	130.2	62%	0.618	63%	0.633	S	S	*	*	H	α-helix	trans	-69.9	-40.5	174.6	-90	-79.9	0	0	0	112.4	I162 S163 R168 L169	I162-F166 HydrophobicContact CG2-CD2 3.79Å; I162-F166 HydrophobicContact CG2-CE2 3.92Å; I162-F166 WeakPolarHBondContact O-CD2 3.5Å; I162-F166 PolarHBondContact O-N 2.82Å; S163-F166 PolarHBondContact O-N 3.44Å; F166-R168 PolarHBondContact O-N 2.84Å; F166-L169 PolarHBondContact O-N 2.88Å; F166-L169 VanDerWaalsContact O-N 3.13Å
167	N	51.6	Low	46.6	Very low	114 Å²	114	134.4 Å²	134.4	61%	0.61	65%	0.651	S	S	*	*	H	α-helix	trans	-65.2	-25	174.6	-73.6	-4.1	0	0	0	112.8	S163	S163-N167 WeakPolarHBondContact O-CB 3.43Å; S163-N167 PolarHBondContact O-N 3.08Å
168	R	47.3	Very low	45.3	Very low	211 Å²	211	135.3 Å²	135.3	80%	0.796	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-6.2	177.6	-142.4	-179.5	-76.9	-159.4	-5.3	113.4	G164 Y165 F166	G164-R168 WeakPolarHBondContact O-CB 2.94Å; G164-R168 PolarHBondContact O-N 3.05Å; Y165-R168 PolarHBondContact O-N 3.45Å; F166-R168 PolarHBondContact O-N 2.84Å
169	L	40.3	Very low	44.1	Very low	107 Å²	107	138.9 Å²	138.9	56%	0.56	67%	0.674	S	S	*	*	S	Bend	trans	-95.9	-3.7	174.3	-79.1	164.9	0	0	0	113	Y165 F166	Y165-L169 HydrophobicContact CD1-CD1 3.98Å; Y165-L169 HydrophobicContact CE1-CD1 4.32Å; Y165-L169 WeakPolarHBondContact O-CG 3.48Å; Y165-L169 PolarHBondContact O-N 3.39Å; F166-L169 PolarHBondContact O-N 2.88Å; F166-L169 VanDerWaalsContact O-N 3.13Å
170	E	43.3	Very low	42.9	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	68%	0.684	S	S	*	*	S	Bend	trans	-101.8	-0.6	-179.2	-153.7	155.1	-159.3	0	0	113.7
171	E	40.8	Very low	41.2	Very low	166 Å²	166	142.1 Å²	142.1	78%	0.776	69%	0.693	S	S	*	*			trans	-112.6	78.7	171.7	-73.6	-176.9	168.9	0	0	111.4
172	I	36.2	Very low	40	Very low	145 Å²	145	139.1 Å²	139.1	74%	0.744	70%	0.698	S	S	*	*			trans	-119.1	97.4	161.6	-58.9	177.4	0	0	0	107.6
173	P	37.2	Very low	38.8	Very low	119 Å²	119	140.1 Å²	140.1	77%	0.773	71%	0.713	S	S	*	*			trans	-80.8	143.1	175.5	30.8	-29.6	0	0	0	111.4	R175	P173-R175 PolarHBondContact O-N 3.4Å
174	E	36.8	Very low	37.8	Very low	193 Å²	193	148.9 Å²	148.9	90%	0.902	74%	0.739	S	S	*	*			trans	-64.7	120.4	-173.6	-63.3	-173.1	146.7	0	0	114.5
175	R	29.4	Very low	36.7	Very low	231 Å²	231	155 Å²	155	87%	0.872	76%	0.764	S	S	*	*			trans	28.5	109.7	134.1	-164.6	-168.9	-69.3	-150.7	0.6	118.6	P173	P173-R175 PolarHBondContact O-N 3.4Å
176	K	35.9	Very low	35.9	Very low	210 Å²	210	150 Å²	150	91%	0.913	77%	0.765	S	S	*	*			trans	-152.4	123.4	131.4	-70.2	-164.1	-178.6	172.1	0	111.5
177	L	30.1	Very low	35.3	Very low	161 Å²	161	149.5 Å²	149.5	84%	0.843	77%	0.774	S	S	*	*			trans	-78.5	176.5	162.2	-114.2	85.7	0	0	0	109
178	P	35.1	Very low	34.2	Very low	98 Å²	98	150.5 Å²	150.5	64%	0.636	78%	0.784	S	S	*	*			cis	-140.6	-168	-8	23.5	3.7	0	0	0	114.2
179	I	31.7	Very low	33.6	Very low	137 Å²	137	147 Å²	147	70%	0.703	79%	0.786	S	S	*	*			trans	110.7	113.3	142.7	-54.3	-177.6	0	0	0	118.4
180	N	31.5	Very low	33.4	Very low	128 Å²	128	147.2 Å²	147.2	68%	0.684	79%	0.794	S	S	*	*			trans	80.7	119.1	144.6	-65.9	-5.6	0	0	0	123.8
181	N	29.4	Very low	32.8	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	79%	0.79	S	S	*	*				52	109.2	126	-54.2	-10.3	0	0	0	118.8
182	A	32.8	Very low	32.4	Very low	99 Å²	99	146.9 Å²	146.9	82%	0.818	80%	0.799	S	S	*	*				164.9	135.9	109.6	0	0	0	0	0	110.8
183	S	26.8	Very low	32.3	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	80%	0.8	S	S	*	*			trans	-54.1	136.4	167.9	52.2	0	0	0	0	112.9
184	Y	30.7	Very low	32	Very low	236 Å²	236	149.9 Å²	149.9	93%	0.925	80%	0.804	S	S	*	*			trans	-150.9	129	147	-117.6	-85.7	0	0	0	111.4
185	N	30.7	Very low	32	Very low	163 Å²	163	146.6 Å²	146.6	87%	0.872	80%	0.797	S	S	*	*			trans	-74.8	155.8	179.6	-84.5	-27.3	0	0	0	113
186	G	30.3	Very low	32.1	Very low	67 Å²	67	140.6 Å²	140.6	69%	0.691	78%	0.782	S	S	*	*			trans	100.7	106.5	158.3	0	0	0	0	0	113.2
187	T	32.9	Very low	32	Very low	132 Å²	132	136.7 Å²	136.7	81%	0.81	77%	0.77	S	S	*	*				-171.4	121.4	76.5	21.2	0	0	0	0	111.6
188	T	29.7	Very low	32.4	Very low	134 Å²	134	132.8 Å²	132.8	82%	0.822	75%	0.753	S	S	*	*			trans	27.1	105.5	138.5	55.2	0	0	0	0	121
189	V	33.2	Very low	32.5	Very low	139 Å²	139	132.8 Å²	132.8	84%	0.842	75%	0.748	S	S	*	*			trans	-144.9	130.8	143.5	-176.8	0	0	0	0	107.6
190	P	36.2	Very low	32.6	Very low	110 Å²	110	131.7 Å²	131.7	71%	0.714	74%	0.743	S	S	*	*			trans	-80.1	160.1	-167	33.5	-35	0	0	0	113.2
191	P	32.1	Very low	32.8	Very low	112 Å²	112	130.1 Å²	130.1	73%	0.727	73%	0.734	S	S	*	*			trans	-77.8	140.4	178.4	33.1	-31.4	0	0	0	110.7	N193	P191-N193 PolarHBondContact O-N 3.14Å
192	F	32	Very low	33	Very low	218 Å²	218	129.5 Å²	129.5	96%	0.956	73%	0.726	S	S	*	*			trans	-66.7	115.5	169.7	-102.2	-95	0	0	0	109.3
193	N	33.7	Very low	33	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	71%	0.714	S	S	*	*			trans	-57.7	145.2	176.8	-80.1	-19.9	0	0	0	112.8	P191 V195	P191-N193 PolarHBondContact O-N 3.14Å; N193-V195 PolarHBondContact O-N 2.92Å
194	E	31.6	Very low	33.2	Very low	184 Å²	184	133.5 Å²	133.5	86%	0.86	71%	0.713	S	S	*	*			trans	-49.8	122.4	169.3	-68	169.4	146.2	0	0	111.3	N196	E194-N196 PolarHBondContact O-N 3.26Å
195	V	36.4	Very low	33.1	Very low	124 Å²	124	128.3 Å²	128.3	75%	0.752	70%	0.698	S	S	*	*			trans	-73	110.8	166.2	176.5	0	0	0	0	107	N193 L197	N193-V195 PolarHBondContact O-N 2.92Å; V195-L197 PolarHBondContact O-N 3.12Å
196	N	31.1	Very low	33	Very low	104 Å²	104	129.5 Å²	129.5	56%	0.556	69%	0.691	S	S	*	*			trans	-54	118.8	179.8	-107.8	-17.5	0	0	0	111	E194 T198 D199	E194-N196 PolarHBondContact O-N 3.26Å; N196-T198 PolarHBondContact O-N 3.49Å; N196-D199 PolarHBondContact O-N 2.97Å
197	L	34.4	Very low	33	Very low	128 Å²	128	133.4 Å²	133.4	67%	0.67	69%	0.692	S	S	*	*	H	α-helix	trans	-58.5	-16.1	176.9	-169.9	66.9	0	0	0	112.9	V195 I201	V195-L197 PolarHBondContact O-N 3.12Å; L197-I201 WeakPolarHBondContact O-CG1 3.1Å
198	T	38.7	Very low	32.9	Very low	79 Å²	79	135.3 Å²	135.3	49%	0.485	69%	0.691	S	S	.	*	H	α-helix	trans	-70.1	-27.6	173.7	48.3	0	0	0	0	113.4	N196 L200 I201 H202	N196-T198 PolarHBondContact O-N 3.49Å; T198-L200 VanDerWaalsContact C-N 3.33Å; T198-I201 PolarHBondContact O-N 2.94Å; T198-H202 PolarHBondContact O-N 3.34Å; T198-H202 VanDerWaalsContact O-N 3.09Å
199	D	35.8	Very low	32.8	Very low	99 Å²	99	133 Å²	133	53%	0.529	68%	0.681	S	S	.	*	H	α-helix	trans	-73.9	-28.1	177.9	-66.1	-21.9	0	0	0	111.5	N196 V203	N196-D199 PolarHBondContact O-N 2.97Å; D199-V203 WeakPolarHBondContact O-CG2 3.33Å; D199-V203 PolarHBondContact O-N 2.62Å
200	L	34.1	Very low	33	Very low	113 Å²	113	133 Å²	133	59%	0.592	67%	0.665	S	S	*	*	H	α-helix	trans	-75.9	-23.6	173.6	-92.4	146.6	0	0	0	113.3	T198	T198-L200 VanDerWaalsContact C-N 3.33Å
201	I	37.2	Very low	33.3	Very low	96 Å²	96	132.1 Å²	132.1	49%	0.492	66%	0.658	S	S	.	*	H	α-helix	trans	-82.1	-38.6	176	-64.7	169.7	0	0	0	109.9	L197 T198 V203 R204 E205	L197-I201 WeakPolarHBondContact O-CG1 3.1Å; T198-I201 PolarHBondContact O-N 2.94Å; I201-V203 VanDerWaalsContact C-N 3.34Å; I201-V203 PolarHBondContact O-N 3.25Å; I201-R204 PolarHBondContact O-N 3.11Å; I201-R204 VanDerWaalsContact O-N 3.13Å; I201-E205 PolarHBondContact O-N 2.96Å; I201-E205 VanDerWaalsContact O-N 3.15Å
202	H	31.9	Very low	34.3	Very low	130 Å²	130	136.1 Å²	136.1	60%	0.602	66%	0.659	S	S	*	*	H	α-helix	trans	-65.7	-32.7	172.2	-102.1	-55.9	0	0	0	113.3	T198 R204 E205 Y206	T198-H202 PolarHBondContact O-N 3.34Å; T198-H202 VanDerWaalsContact O-N 3.09Å; H202-R204 VanDerWaalsContact C-N 3.26Å; H202-R204 PolarHBondContact O-N 3.46Å; H202-E205 PolarHBondContact O-N 3.43Å; H202-Y206 VanDerWaalsContact O-CB 3.25Å; H202-Y206 WeakPolarHBondContact O-CB 3.37Å; H202-Y206 PolarHBondContact O-N 3.13Å
203	V	34	Very low	35.8	Very low	93 Å²	93	128 Å²	128	56%	0.564	62%	0.623	S	S	*	*	H	α-helix	trans	-65.8	-29.4	172.7	170.6	0	0	0	0	112.2	D199 I201	D199-V203 WeakPolarHBondContact O-CG2 3.33Å; D199-V203 PolarHBondContact O-N 2.62Å; I201-V203 VanDerWaalsContact C-N 3.34Å; I201-V203 PolarHBondContact O-N 3.25Å
204	R	29.6	Very low	37.6	Very low	198 Å²	198	122.5 Å²	122.5	75%	0.747	60%	0.596	S	S	*	*	H	α-helix	trans	-80.4	-31.5	179.4	-169.1	174.8	-81.7	-156.6	-4.4	112.7	I201 H202	I201-R204 PolarHBondContact O-N 3.11Å; I201-R204 VanDerWaalsContact O-N 3.13Å; H202-R204 VanDerWaalsContact C-N 3.26Å; H202-R204 PolarHBondContact O-N 3.46Å
205	E	30.5	Very low	39.8	Very low	128 Å²	128	117.4 Å²	117.4	60%	0.598	57%	0.572	S	S	*	*	H	α-helix	trans	-82.8	-25.4	172.7	-78.4	177.8	162.8	0	0	113.2	I201 H202 Q207 Q208	I201-E205 PolarHBondContact O-N 2.96Å; I201-E205 VanDerWaalsContact O-N 3.15Å; H202-E205 PolarHBondContact O-N 3.43Å; E205-Q207 VanDerWaalsContact C-N 3.3Å; E205-Q207 PolarHBondContact O-N 2.92Å; E205-Q208 PolarHBondContact O-N 2.87Å
206	Y	28.2	Very low	42	Very low	187 Å²	187	111.6 Å²	111.6	73%	0.733	54%	0.537	S	S	*	.	H	α-helix	trans	-73.4	-16.8	175.8	-157.1	-96.8	0	0	0	113.9	H202	H202-Y206 VanDerWaalsContact O-CB 3.25Å; H202-Y206 WeakPolarHBondContact O-CB 3.37Å; H202-Y206 PolarHBondContact O-N 3.13Å
207	Q	30.1	Very low	44.4	Very low	150 Å²	150	107.2 Å²	107.2	70%	0.701	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-16	172.8	-81.1	-167	-45.1	0	0	113.8	E205	E205-Q207 VanDerWaalsContact C-N 3.3Å; E205-Q207 PolarHBondContact O-N 2.92Å
208	Q	31.1	Very low	46.4	Very low	171 Å²	171	103 Å²	103	80%	0.799	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.7	-176.8	-98	170.2	-25.2	0	0	114.5	E205	E205-Q208 PolarHBondContact O-N 2.87Å
209	S	27.8	Very low	48.3	Very low	87 Å²	87	101.7 Å²	101.7	61%	0.608	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	17.6	178.7	69.8	0	0	0	0	115	T211	S209-T211 PolarHBondContact O-N 3.26Å
210	R	37.3	Very low	50.3	Low	137 Å²	137	97 Å²	97	52%	0.517	46%	0.457	S	S	.	.			trans	-68.6	113	171.8	-92.6	-173	-179.6	-172.7	2.6	109.6	W212	R210-W212 PolarHBondContact O-N 3.46Å
211	T	42.3	Very low	52.4	Low	92 Å²	92	91.9 Å²	91.9	56%	0.564	43%	0.43	S	S	*	.			trans	-46.2	105.3	158.8	33.7	0	0	0	0	108.6	E139 S209 F213	E139-T211 PolarHBondContact OE1-OG1 2.92Å; E139-T211 PolarHBondContact OE2-OG1 3.47Å; S209-T211 PolarHBondContact O-N 3.26Å; T211-F213 PolarHBondContact O-N 3.21Å
212	W	52.7	Low	54.2	Low	196 Å²	196	90.2 Å²	90.2	74%	0.742	43%	0.427	S	S	*	.			trans	-75	84.2	-164.5	-129.5	80.2	0	0	0	110.3	R210 P214	R210-W212 PolarHBondContact O-N 3.46Å; W212-P214 WeakPolarHBondContact O-CD 3.02Å
213	F	62.9	Low	56.2	Low	47 Å²	47	86.2 Å²	86.2	21%	0.206	41%	0.407	C	S	.	.			trans	-60.2	130.4	166.2	-88.7	-75.7	0	0	0	109.1	I136 E139 T211 Q215 I217 T218	I136-F213 HydrophobicContact CB-CZ 4.03Å; I136-F213 HydrophobicContact CD1-CE1 4.27Å; I136-F213 HydrophobicContact CD1-CZ 3.85Å; I136-F213 HydrophobicContact CG1-CE1 4.5Å; I136-F213 HydrophobicContact CG1-CE2 4.46Å; I136-F213 HydrophobicContact CG1-CZ 3.67Å; I136-F213 HydrophobicContact CG2-CE1 3.76Å; I136-F213 HydrophobicContact CG2-CE2 4.1Å; I136-F213 HydrophobicContact CG2-CZ 3.4Å; I136-F213 VanDerWaalsContact CG2-CZ 3.4Å; E139-F213 WeakPolarHBondContact OE2-CE2 3.05Å; T211-F213 PolarHBondContact O-N 3.21Å; F213-Q215 PolarHBondContact O-N 3.3Å; F213-I217 HydrophobicContact CD1-CD1 4.48Å; F213-I217 HydrophobicContact CD1-CG2 4.4Å; F213-T218 HydrophobicContact CB-CG2 4.03Å
214	P	72.8	Confident	58.2	Low	30 Å²	30	82.2 Å²	82.2	20%	0.195	38%	0.382	C	S	.	.			trans	-51.2	132.6	173.1	-26.4	32.2	0	0	0	110.7	W212 V216 I217 T218 Y242	W212-P214 WeakPolarHBondContact O-CD 3.02Å; P214-V216 PolarHBondContact O-N 2.72Å; P214-I217 HydrophobicContact CB-CD1 4.41Å; P214-I217 HydrophobicContact CB-CG1 4.33Å; P214-I217 HydrophobicContact CG-CD1 4.12Å; P214-I217 PolarHBondContact O-N 2.97Å; P214-T218 PolarHBondContact O-N 3.47Å; P214-Y242 HydrophobicContact CB-CE2 3.83Å; P214-Y242 HydrophobicContact CG-CE1 4.37Å; P214-Y242 HydrophobicContact CG-CE2 4Å; P214-Y242 WeakPolarHBondContact CG-OH 3.49Å
215	Q	77	Confident	60.2	Low	77 Å²	77	75.1 Å²	75.1	36%	0.36	36%	0.356	S	S	.	.	H	α-helix	trans	-52.5	-33	-177.6	-72.3	177.9	-13.4	0	0	112.4	F213 I217 T218 M219 R292	F213-Q215 PolarHBondContact O-N 3.3Å; Q215-I217 VanDerWaalsContact C-N 3.35Å; Q215-I217 PolarHBondContact O-N 2.74Å; Q215-T218 WeakPolarHBondContact CA-OG1 3.43Å; Q215-T218 PolarHBondContact O-N 3.22Å; Q215-T218 PolarHBondContact O-OG1 2.96Å; Q215-M219 WeakPolarHBondContact O-CB 3.18Å; Q215-M219 PolarHBondContact O-N 3.46Å; Q215-R292 VanDerWaalsContact OE1-CZ 3.29Å
216	V	82	Confident	62	Low	2 Å²	2	73.3 Å²	73.3	1%	0.012	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-39.2	178	-169	0	0	0	0	112.4	E68 A70 P214 M219 A220 A290 R292	E68-V216 HydrophobicContact CB-CG2 3.71Å; A70-V216 HydrophobicContact CB-CB 4.48Å; A70-V216 HydrophobicContact CB-CG1 3.79Å; P214-V216 PolarHBondContact O-N 2.72Å; V216-M219 PolarHBondContact O-N 3.33Å; V216-A220 VanDerWaalsContact O-CB 3.32Å; V216-A220 WeakPolarHBondContact O-CB 3.45Å; V216-A220 PolarHBondContact O-N 3.03Å; V216-A290 HydrophobicContact CG1-CB 3.72Å; V216-A290 VanDerWaalsContact CG1-O 3.29Å; V216-A290 WeakPolarHBondContact CG1-O 3.24Å; V216-R292 HydrophobicContact CG2-CB 3.36Å; V216-R292 HydrophobicContact CG2-CG 4.29Å
217	I	81.6	Confident	63.8	Low	11 Å²	11	67.2 Å²	67.2	6%	0.056	34%	0.337	C	S	.	.	H	α-helix	trans	-67.3	-43.5	176.9	-60.9	-178	0	0	0	109.6	A70 I130 F213 P214 Q215 M219 A220 W221 Y242	A70-I217 HydrophobicContact CB-CG1 4.19Å; I130-I217 HydrophobicContact CD1-CD1 3.79Å; F213-I217 HydrophobicContact CD1-CD1 4.48Å; F213-I217 HydrophobicContact CD1-CG2 4.4Å; P214-I217 HydrophobicContact CB-CD1 4.41Å; P214-I217 HydrophobicContact CB-CG1 4.33Å; P214-I217 HydrophobicContact CG-CD1 4.12Å; P214-I217 PolarHBondContact O-N 2.97Å; Q215-I217 VanDerWaalsContact C-N 3.35Å; Q215-I217 PolarHBondContact O-N 2.74Å; I217-M219 VanDerWaalsContact C-N 3.33Å; I217-M219 PolarHBondContact O-N 2.97Å; I217-A220 PolarHBondContact O-N 2.92Å; I217-W221 VanDerWaalsContact O-CB 3.29Å; I217-W221 WeakPolarHBondContact O-CB 3.44Å; I217-W221 PolarHBondContact O-N 3.47Å; I217-Y242 HydrophobicContact CD1-CD2 3.85Å; I217-Y242 HydrophobicContact CD1-CE2 4.31Å; I217-Y242 HydrophobicContact CD1-CG 4.13Å; I217-Y242 HydrophobicContact CG1-CD2 3.83Å; I217-Y242 HydrophobicContact CG1-CE2 4.24Å
218	T	77.3	Confident	65.5	Low	39 Å²	39	62.2 Å²	62.2	24%	0.239	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-39.8	177.4	66.6	0	0	0	0	112.1	L140 F213 P214 Q215 S222	L140-T218 HydrophobicContact CD2-CG2 4.14Å; F213-T218 HydrophobicContact CB-CG2 4.03Å; P214-T218 PolarHBondContact O-N 3.47Å; Q215-T218 WeakPolarHBondContact CA-OG1 3.43Å; Q215-T218 PolarHBondContact O-N 3.22Å; Q215-T218 PolarHBondContact O-OG1 2.96Å; T218-S222 WeakPolarHBondContact O-CB 3.42Å; T218-S222 PolarHBondContact O-N 2.91Å
219	M	77.2	Confident	66.9	Low	52 Å²	52	61.3 Å²	61.3	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-49.4	176.6	-178.2	-175.8	-62.9	0	0	110.6	I43 Q215 V216 I217 W221 S222 Y223	I43-M219 HydrophobicContact CD1-CG 4.28Å; I43-M219 HydrophobicContact CG1-CG 4.2Å; I43-M219 HydrophobicContact CG1-SD 4.28Å; Q215-M219 WeakPolarHBondContact O-CB 3.18Å; Q215-M219 PolarHBondContact O-N 3.46Å; V216-M219 PolarHBondContact O-N 3.33Å; I217-M219 VanDerWaalsContact C-N 3.33Å; I217-M219 PolarHBondContact O-N 2.97Å; M219-W221 PolarHBondContact O-N 2.92Å; M219-S222 PolarHBondContact O-N 2.96Å; M219-S222 PolarHBondContact O-OG 3.25Å; M219-Y223 PolarHBondContact O-N 3.48Å
220	A	79.7	Confident	68.4	Low	1 Å²	1	61.9 Å²	61.9	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-46.8	178.7	0	0	0	0	0	111.2	A70 V216 I217 S222 Y223 F224 W240 A290	A70-A220 HydrophobicContact CB-CB 4.19Å; V216-A220 VanDerWaalsContact O-CB 3.32Å; V216-A220 WeakPolarHBondContact O-CB 3.45Å; V216-A220 PolarHBondContact O-N 3.03Å; I217-A220 PolarHBondContact O-N 2.92Å; A220-S222 PolarHBondContact O-N 2.93Å; A220-Y223 WeakPolarHBondContact O-CB 3.18Å; A220-Y223 PolarHBondContact O-N 3.38Å; A220-Y223 VanDerWaalsContact O-N 3.14Å; A220-F224 WeakPolarHBondContact O-CD2 3.38Å; A220-F224 PolarHBondContact O-N 2.92Å; A220-W240 HydrophobicContact CB-CE3 4.47Å; A220-W240 HydrophobicContact CB-CH2 3.62Å; A220-W240 HydrophobicContact CB-CZ3 3.28Å; A220-A290 HydrophobicContact CB-CB 3.42Å; A220-A290 VanDerWaalsContact CB-CB 3.42Å
221	W	76.3	Confident	69.3	Low	6 Å²	6	63.9 Å²	63.9	2%	0.023	32%	0.322	C	S	.	.	H	α-helix	trans	-57.4	-47.8	177.3	-179.3	-104	0	0	0	112.1	L132 Y137 L140 M141 I217 M219 Y223 F224 K225 W240	L132-W221 HydrophobicContact CD2-CD2 4.29Å; L132-W221 HydrophobicContact CD2-CE3 3.57Å; L132-W221 HydrophobicContact CD2-CH2 3.9Å; L132-W221 HydrophobicContact CD2-CZ3 3.37Å; Y137-W221 AromaticContact CD2-CH2 3.58Å; Y137-W221 HydrophobicContact CD2-CH2 3.58Å; Y137-W221 AromaticContact CD2-CZ2 3.8Å; Y137-W221 HydrophobicContact CD2-CZ2 3.8Å; Y137-W221 AromaticContact CE2-CH2 3.57Å; Y137-W221 HydrophobicContact CE2-CH2 3.57Å; Y137-W221 AromaticContact CE2-CZ2 3.72Å; Y137-W221 HydrophobicContact CE2-CZ2 3.72Å; L140-W221 HydrophobicContact CB-CD2 4.26Å; L140-W221 HydrophobicContact CB-CG 4.04Å; L140-W221 HydrophobicContact CD1-CB 4.35Å; L140-W221 HydrophobicContact CD1-CD2 4.03Å; L140-W221 HydrophobicContact CD1-CE3 4.38Å; L140-W221 HydrophobicContact CD1-CG 4.01Å; L140-W221 HydrophobicContact CD2-CB 4.18Å; L140-W221 HydrophobicContact CD2-CG 4.16Å; L140-W221 HydrophobicContact CG-CG 4.32Å; M141-W221 HydrophobicContact SD-CZ2 4.45Å; I217-W221 VanDerWaalsContact O-CB 3.29Å; I217-W221 WeakPolarHBondContact O-CB 3.44Å; I217-W221 PolarHBondContact O-N 3.47Å; M219-W221 PolarHBondContact O-N 2.92Å; W221-Y223 PolarHBondContact O-N 3.37Å; W221-F224 PolarHBondContact O-N 3.15Å; W221-K225 VanDerWaalsContact O-CB 3.27Å; W221-K225 WeakPolarHBondContact O-CB 3.29Å; W221-K225 PolarHBondContact O-N 2.92Å; W221-W240 AromaticContact CE3-CZ2 3.9Å; W221-W240 HydrophobicContact CE3-CZ2 3.9Å; W221-W240 HydrophobicContact CZ3-CZ2 4.43Å
222	S	76.2	Confident	69.8	Low	61 Å²	61	67.6 Å²	67.6	43%	0.427	33%	0.333	S	S	.	.	H	α-helix	trans	-56.7	-36.5	178.7	75.2	0	0	0	0	112.3	T218 M219 A220	T218-S222 WeakPolarHBondContact O-CB 3.42Å; T218-S222 PolarHBondContact O-N 2.91Å; M219-S222 PolarHBondContact O-N 2.96Å; M219-S222 PolarHBondContact O-OG 3.25Å; A220-S222 PolarHBondContact O-N 2.93Å
223	Y	73.9	Confident	70	Confident	46 Å²	46	60.9 Å²	60.9	18%	0.18	31%	0.311	C	S	.	.	H	α-helix	trans	-70.6	-53.8	176.2	179.3	-101.6	0	0	0	112.1	I43 M219 A220 W221 K225 S226 I227 K288	I43-Y223 HydrophobicContact CD1-CD2 3.76Å; I43-Y223 HydrophobicContact CD1-CG 3.71Å; I43-Y223 HydrophobicContact CG2-CD1 4.31Å; I43-Y223 HydrophobicContact CG2-CG 4.36Å; M219-Y223 PolarHBondContact O-N 3.48Å; A220-Y223 WeakPolarHBondContact O-CB 3.18Å; A220-Y223 PolarHBondContact O-N 3.38Å; A220-Y223 VanDerWaalsContact O-N 3.14Å; W221-Y223 PolarHBondContact O-N 3.37Å; Y223-K225 VanDerWaalsContact C-N 3.31Å; Y223-K225 PolarHBondContact O-N 3.03Å; Y223-S226 WeakPolarHBondContact O-CB 3.36Å; Y223-S226 PolarHBondContact O-N 2.99Å; Y223-S226 VanDerWaalsContact O-N 3.14Å; Y223-S226 PolarHBondContact O-OG 3.26Å; Y223-I227 HydrophobicContact CD1-CD1 4.15Å; Y223-I227 HydrophobicContact CE1-CD1 3.46Å; Y223-I227 VanDerWaalsContact CE1-CD1 3.46Å; Y223-I227 HydrophobicContact CE2-CD1 4.42Å; Y223-K288 HydrophobicContact CD1-CB 4.35Å; Y223-K288 HydrophobicContact CD1-CD 4.44Å; Y223-K288 HydrophobicContact CE1-CB 3.87Å; Y223-K288 HydrophobicContact CE1-CD 3.5Å; Y223-K288 HydrophobicContact CE1-CG 3.73Å; Y223-K288 HydrophobicContact CE2-CD 4.28Å; Y223-K288 VanDerWaalsContact CZ-CD 3.44Å; Y223-K288 WeakPolarHBondContact OH-CD 3.13Å; Y223-K288 WeakPolarHBondContact OH-CE 3.23Å; Y223-K288 PolarHBondContact OH-NZ 3.43Å
224	F	74.7	Confident	69.6	Low	9 Å²	9	61 Å²	61	4%	0.039	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-35	-177.4	-76.5	-73.8	0	0	0	112	L72 A220 W221 S226 I227 I228 L237 W240 K288	L72-F224 HydrophobicContact CD1-CD1 3.92Å; L72-F224 HydrophobicContact CD1-CE1 3.46Å; L72-F224 VanDerWaalsContact CD1-CE1 3.46Å; L72-F224 HydrophobicContact CD1-CZ 3.82Å; L72-F224 HydrophobicContact CG-CE1 4.2Å; L72-F224 HydrophobicContact CG-CE2 4.45Å; L72-F224 HydrophobicContact CG-CZ 4.06Å; A220-F224 WeakPolarHBondContact O-CD2 3.38Å; A220-F224 PolarHBondContact O-N 2.92Å; W221-F224 PolarHBondContact O-N 3.15Å; F224-S226 PolarHBondContact O-N 2.9Å; F224-I227 WeakPolarHBondContact O-CB 3.47Å; F224-I227 PolarHBondContact O-N 3.26Å; F224-I228 WeakPolarHBondContact O-CG1 3.49Å; F224-I228 PolarHBondContact O-N 3.41Å; F224-L237 HydrophobicContact CB-CD2 3.66Å; F224-L237 HydrophobicContact CD1-CD2 4.05Å; F224-L237 HydrophobicContact CG-CD2 3.94Å; F224-W240 AromaticContact CD2-CH2 3.38Å; F224-W240 HydrophobicContact CD2-CH2 3.38Å; F224-W240 AromaticContact CD2-CZ2 3.98Å; F224-W240 HydrophobicContact CD2-CZ2 3.98Å; F224-W240 HydrophobicContact CD2-CZ3 4.08Å; F224-W240 AromaticContact CE2-CH2 3.89Å; F224-W240 HydrophobicContact CE2-CH2 3.89Å; F224-W240 HydrophobicContact CE2-CZ3 4.13Å; F224-W240 HydrophobicContact CG-CH2 4.26Å; F224-W240 HydrophobicContact CG-CZ2 4.47Å; F224-K288 HydrophobicContact CZ-CB 4.31Å
225	K	71.6	Confident	68.6	Low	48 Å²	48	67.4 Å²	67.4	21%	0.209	34%	0.343	C	S	.	.	H	α-helix	trans	-56.5	-38.8	173.7	-172.9	-176.1	176.7	170.4	0	112.3	M141 S144 W221 Y223 I227 I228	M141-K225 HydrophobicContact SD-CD 4.03Å; M141-K225 WeakPolarHBondContact SD-CE 3.31Å; M141-K225 PolarHBondContact SD-NZ 3.26Å; S144-K225 WeakPolarHBondContact OG-CD 3.46Å; S144-K225 VanDerWaalsContact OG-CE 3.31Å; S144-K225 WeakPolarHBondContact OG-CE 3.49Å; S144-K225 PolarHBondContact OG-NZ 3.02Å; W221-K225 VanDerWaalsContact O-CB 3.27Å; W221-K225 WeakPolarHBondContact O-CB 3.29Å; W221-K225 PolarHBondContact O-N 2.92Å; Y223-K225 VanDerWaalsContact C-N 3.31Å; Y223-K225 PolarHBondContact O-N 3.03Å; K225-I227 PolarHBondContact O-N 2.64Å; K225-I227 VanDerWaalsContact O-N 3.11Å; K225-I228 PolarHBondContact O-N 3.47Å
226	S	69.3	Low	67.6	Low	90 Å²	90	66.4 Å²	66.4	63%	0.629	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.2	178.1	76.8	0	0	0	0	113.7	Y223 F224	Y223-S226 WeakPolarHBondContact O-CB 3.36Å; Y223-S226 PolarHBondContact O-N 2.99Å; Y223-S226 VanDerWaalsContact O-N 3.14Å; Y223-S226 PolarHBondContact O-OG 3.26Å; F224-S226 PolarHBondContact O-N 2.9Å
227	I	66.3	Low	66.7	Low	60 Å²	60	67.2 Å²	67.2	31%	0.308	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-22.3	-177.6	-59.9	170	0	0	0	111.6	Y223 F224 K225 Q229	Y223-I227 HydrophobicContact CD1-CD1 4.15Å; Y223-I227 HydrophobicContact CE1-CD1 3.46Å; Y223-I227 VanDerWaalsContact CE1-CD1 3.46Å; Y223-I227 HydrophobicContact CE2-CD1 4.42Å; F224-I227 WeakPolarHBondContact O-CB 3.47Å; F224-I227 PolarHBondContact O-N 3.26Å; K225-I227 PolarHBondContact O-N 2.64Å; K225-I227 VanDerWaalsContact O-N 3.11Å; I227-Q229 PolarHBondContact O-N 2.88Å; I227-Q229 VanDerWaalsContact O-N 3.13Å
228	I	64.8	Low	65.8	Low	45 Å²	45	68.3 Å²	68.3	23%	0.231	36%	0.355	C	S	.	.			trans	-68.9	111.1	-179.2	-60.4	168.5	0	0	0	109.3	F224 K225 L237	F224-I228 WeakPolarHBondContact O-CG1 3.49Å; F224-I228 PolarHBondContact O-N 3.41Å; K225-I228 PolarHBondContact O-N 3.47Å; I228-L237 HydrophobicContact CD1-CD1 3.46Å; I228-L237 VanDerWaalsContact CD1-CD1 3.46Å; I228-L237 HydrophobicContact CG1-CD1 3.35Å
229	Q	61.8	Low	65.9	Low	152 Å²	152	71.1 Å²	71.1	71%	0.71	37%	0.366	S	S	*	.			trans	-103.5	-26.8	172.5	-71.6	-176.7	-25.4	0	0	112.6	I227	I227-Q229 PolarHBondContact O-N 2.88Å; I227-Q229 VanDerWaalsContact O-N 3.13Å
230	N	59.9	Low	66.2	Low	99 Å²	99	69 Å²	69	53%	0.529	36%	0.355	S	S	.	.	S	Bend	trans	-127.8	146.6	-173.5	-71.1	-10.5	0	0	0	112.2	Q232 D233	N230-Q232 PolarHBondContact O-N 2.96Å; N230-D233 PolarHBondContact O-N 2.94Å; N230-D233 VanDerWaalsContact O-N 3.09Å
231	E	54.7	Low	66.5	Low	179 Å²	179	69 Å²	69	84%	0.836	35%	0.354	S	S	*	.	H	α-helix	trans	-58.2	-31.3	175.9	-83	179.6	152.1	0	0	113.2	D233 S234	E231-D233 VanDerWaalsContact C-N 3.27Å; E231-D233 PolarHBondContact O-N 2.72Å; E231-S234 WeakPolarHBondContact O-CB 3.34Å; E231-S234 PolarHBondContact O-N 3.38Å; E231-S234 PolarHBondContact O-OG 2.72Å
232	Q	53.4	Low	67.2	Low	169 Å²	169	69.2 Å²	69.2	79%	0.79	36%	0.356	S	S	*	.	H	α-helix	trans	-66.6	-25.5	177.1	-94	164.5	-32.2	0	0	113.9	N230 S234	N230-Q232 PolarHBondContact O-N 2.96Å; Q232-S234 PolarHBondContact O-N 3.44Å
233	D	56.2	Low	67.9	Low	55 Å²	55	66.3 Å²	66.3	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-71.2	-24.4	173.7	-72.4	-49.1	0	0	0	111.3	N230 E231 F235 V236 L237 K286	N230-D233 PolarHBondContact O-N 2.94Å; N230-D233 VanDerWaalsContact O-N 3.09Å; E231-D233 VanDerWaalsContact C-N 3.27Å; E231-D233 PolarHBondContact O-N 2.72Å; D233-F235 VanDerWaalsContact C-N 3.34Å; D233-F235 PolarHBondContact O-N 2.96Å; D233-V236 PolarHBondContact O-N 3.42Å; D233-L237 HydrophobicContact CB-CD1 4.48Å; D233-L237 VanDerWaalsContact O-CD1 3.29Å; D233-L237 WeakPolarHBondContact O-CD1 3.3Å; D233-L237 PolarHBondContact O-N 2.73Å; D233-L237 VanDerWaalsContact O-N 3.15Å; D233-K286 IonicContact OD1-NZ 3.57Å
234	S	55	Low	68.7	Low	50 Å²	50	68.3 Å²	68.3	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-37.8	-179.1	76.4	0	0	0	0	113	E231 Q232 L237	E231-S234 WeakPolarHBondContact O-CB 3.34Å; E231-S234 PolarHBondContact O-N 3.38Å; E231-S234 PolarHBondContact O-OG 2.72Å; Q232-S234 PolarHBondContact O-N 3.44Å; S234-L237 PolarHBondContact O-N 3.2Å
235	F	52.4	Low	69.4	Low	164 Å²	164	68 Å²	68	72%	0.719	35%	0.345	S	S	*	.	H	α-helix	trans	-68.5	-36.7	177.5	-174.9	-99.4	0	0	0	111.9	D233 L237 S238	D233-F235 VanDerWaalsContact C-N 3.34Å; D233-F235 PolarHBondContact O-N 2.96Å; F235-L237 PolarHBondContact O-N 2.87Å; F235-S238 VanDerWaalsContact O-CB 3.25Å; F235-S238 WeakPolarHBondContact O-CB 3.37Å; F235-S238 PolarHBondContact O-N 3.47Å; F235-S238 VanDerWaalsContact O-N 3.16Å; F235-S238 PolarHBondContact O-OG 3.48Å
236	V	55.3	Low	70.2	Confident	57 Å²	57	69 Å²	69	35%	0.345	36%	0.356	S	S	.	.	H	α-helix	trans	-69.3	-23.6	177	-177.5	0	0	0	0	111.6	D233 S238	D233-V236 PolarHBondContact O-N 3.42Å; V236-S238 VanDerWaalsContact C-N 3.3Å
237	L	62.4	Low	70.9	Confident	18 Å²	18	68.4 Å²	68.4	9%	0.094	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	7.3	175.3	-83.1	143.1	0	0	0	113.4	L72 F224 I228 D233 S234 F235 W240	L72-L237 HydrophobicContact CD1-CD2 4.08Å; L72-L237 HydrophobicContact CD2-CD2 4.01Å; L72-L237 HydrophobicContact CD2-CG 4.49Å; F224-L237 HydrophobicContact CB-CD2 3.66Å; F224-L237 HydrophobicContact CD1-CD2 4.05Å; F224-L237 HydrophobicContact CG-CD2 3.94Å; I228-L237 HydrophobicContact CD1-CD1 3.46Å; I228-L237 VanDerWaalsContact CD1-CD1 3.46Å; I228-L237 HydrophobicContact CG1-CD1 3.35Å; D233-L237 HydrophobicContact CB-CD1 4.48Å; D233-L237 VanDerWaalsContact O-CD1 3.29Å; D233-L237 WeakPolarHBondContact O-CD1 3.3Å; D233-L237 PolarHBondContact O-N 2.73Å; D233-L237 VanDerWaalsContact O-N 3.15Å; S234-L237 PolarHBondContact O-N 3.2Å; F235-L237 PolarHBondContact O-N 2.87Å; L237-W240 HydrophobicContact CD2-CZ2 4.32Å; L237-W240 PolarHBondContact O-NE1 3.12Å
238	S	64.4	Low	71.9	Confident	35 Å²	35	66.5 Å²	66.5	25%	0.245	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-24	-178.9	62.7	0	0	0	0	113.7	S131 L132 F235 V236	S131-S238 WeakPolarHBondContact CA-O 3.11Å; L132-S238 PolarHBondContact N-O 3.39Å; F235-S238 VanDerWaalsContact O-CB 3.25Å; F235-S238 WeakPolarHBondContact O-CB 3.37Å; F235-S238 PolarHBondContact O-N 3.47Å; F235-S238 VanDerWaalsContact O-N 3.16Å; F235-S238 PolarHBondContact O-OG 3.48Å; V236-S238 VanDerWaalsContact C-N 3.3Å
239	Q	78.5	Confident	72.8	Confident	97 Å²	97	68.4 Å²	68.4	45%	0.453	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.3	-173.1	-68.6	-176.1	-30.1	0	0	112.8	E73	E73-Q239 HydrophobicContact CB-CB 4.1Å; E73-Q239 PolarHBondContact N-O 2.94Å; E73-Q239 VanDerWaalsContact N-O 3.14Å
240	W	82.9	Confident	73.7	Confident	8 Å²	8	61.4 Å²	61.4	3%	0.03	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.4	-178.3	-71.9	67.8	0	0	0	111.5	A70 F71 L72 R129 I130 L132 A220 W221 F224 L237	A70-W240 HydrophobicContact CB-CE3 4.48Å; A70-W240 HydrophobicContact CB-CZ3 4.49Å; F71-W240 WeakPolarHBondContact O-CA 3.49Å; L72-W240 HydrophobicContact CD2-CD2 4.32Å; L72-W240 HydrophobicContact CD2-CZ2 4.47Å; R129-W240 CarbonylContact C-O 3.57Å; R129-W240 WeakPolarHBondContact CA-O 3.31Å; I130-W240 HydrophobicContact CB-CB 4.44Å; I130-W240 PolarHBondContact N-O 3.14Å; I130-W240 PolarHBondContact O-N 2.85Å; L132-W240 HydrophobicContact CD1-CB 4.49Å; L132-W240 HydrophobicContact CD1-CD2 4.23Å; L132-W240 HydrophobicContact CD1-CG 3.73Å; L132-W240 VanDerWaalsContact CD1-NE1 3.29Å; A220-W240 HydrophobicContact CB-CE3 4.47Å; A220-W240 HydrophobicContact CB-CH2 3.62Å; A220-W240 HydrophobicContact CB-CZ3 3.28Å; W221-W240 AromaticContact CE3-CZ2 3.9Å; W221-W240 HydrophobicContact CE3-CZ2 3.9Å; W221-W240 HydrophobicContact CZ3-CZ2 4.43Å; F224-W240 AromaticContact CD2-CH2 3.38Å; F224-W240 HydrophobicContact CD2-CH2 3.38Å; F224-W240 AromaticContact CD2-CZ2 3.98Å; F224-W240 HydrophobicContact CD2-CZ2 3.98Å; F224-W240 HydrophobicContact CD2-CZ3 4.08Å; F224-W240 AromaticContact CE2-CH2 3.89Å; F224-W240 HydrophobicContact CE2-CH2 3.89Å; F224-W240 HydrophobicContact CE2-CZ3 4.13Å; F224-W240 HydrophobicContact CG-CH2 4.26Å; F224-W240 HydrophobicContact CG-CZ2 4.47Å; L237-W240 HydrophobicContact CD2-CZ2 4.32Å; L237-W240 PolarHBondContact O-NE1 3.12Å
241	I	87.4	Confident	74.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.8	168	-63	174.8	0	0	0	107.3	A70 F71 E73 L76 P121 C127	A70-I241 WeakPolarHBondContact CA-O 3.31Å; F71-I241 HydrophobicContact CD2-CB 4.31Å; F71-I241 HydrophobicContact CE1-CB 4.15Å; F71-I241 HydrophobicContact CE1-CG2 3.86Å; F71-I241 HydrophobicContact CE2-CB 3.93Å; F71-I241 HydrophobicContact CE2-CD1 3.71Å; F71-I241 HydrophobicContact CE2-CG1 4.35Å; F71-I241 HydrophobicContact CE2-CG2 4.21Å; F71-I241 HydrophobicContact CZ-CB 3.84Å; F71-I241 HydrophobicContact CZ-CD1 4.06Å; F71-I241 HydrophobicContact CZ-CG2 3.61Å; F71-I241 PolarHBondContact N-O 3.41Å; F71-I241 PolarHBondContact O-N 3.25Å; E73-I241 HydrophobicContact CB-CD1 4.24Å; E73-I241 HydrophobicContact CB-CG1 4.25Å; E73-I241 HydrophobicContact CG-CD1 4.19Å; L76-I241 HydrophobicContact CD1-CD1 3.35Å; L76-I241 HydrophobicContact CD2-CD1 3.76Å; L76-I241 HydrophobicContact CG-CD1 3.43Å; L76-I241 VanDerWaalsContact CG-CD1 3.43Å; P121-I241 HydrophobicContact CG-CG1 4.45Å; P121-I241 HydrophobicContact CG-CG2 4.21Å; C127-I241 HydrophobicContact CB-CG2 4.39Å
242	Y	89.9	Confident	75.5	Confident	12 Å²	12	50.7 Å²	50.7	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.2	171.3	174.3	-106.7	0	0	0	108.8	F69 A70 C127 Q128 I130 P214 I217 Q244	F69-Y242 WeakPolarHBondContact O-CA 3.45Å; F69-Y242 WeakPolarHBondContact O-CD2 3.22Å; A70-Y242 HydrophobicContact CB-CD2 4.47Å; C127-Y242 CarbonylContact C-O 3.57Å; C127-Y242 WeakPolarHBondContact CA-O 3.19Å; Q128-Y242 HydrophobicContact CG-CD1 4.17Å; Q128-Y242 PolarHBondContact N-O 3.44Å; Q128-Y242 PolarHBondContact O-N 3.4Å; I130-Y242 HydrophobicContact CD1-CD1 4.16Å; I130-Y242 HydrophobicContact CD1-CG 3.91Å; P214-Y242 HydrophobicContact CB-CE2 3.83Å; P214-Y242 HydrophobicContact CG-CE1 4.37Å; P214-Y242 HydrophobicContact CG-CE2 4Å; P214-Y242 WeakPolarHBondContact CG-OH 3.49Å; I217-Y242 HydrophobicContact CD1-CD2 3.85Å; I217-Y242 HydrophobicContact CD1-CE2 4.31Å; I217-Y242 HydrophobicContact CD1-CG 4.13Å; I217-Y242 HydrophobicContact CG1-CD2 3.83Å; I217-Y242 HydrophobicContact CG1-CE2 4.24Å; Y242-Q244 HydrophobicContact CE1-CB 3.87Å
243	C	91.6	Very high	76.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.9	176.7	-57.8	0	0	0	0	109.8	E68 F69 L119 W126 C127	E68-C243 CarbonylContact C-O 3.51Å; E68-C243 VanDerWaalsContact CA-O 3.23Å; E68-C243 WeakPolarHBondContact CA-O 2.92Å; F69-C243 HydrophobicContact CB-CB 4.36Å; F69-C243 HydrophobicContact CD2-CB 4.42Å; F69-C243 PolarHBondContact N-O 2.92Å; F69-C243 PolarHBondContact O-N 3.28Å; L119-C243 HydrophobicContact CD2-CB 4.46Å; W126-C243 CarbonylContact O-C 3.49Å; W126-C243 VanDerWaalsContact O-CA 3.25Å; W126-C243 WeakPolarHBondContact O-CA 3.46Å; C127-C243 HydrophobicContact CB-CB 4.1Å; C127-C243 WeakPolarHBondContact CB-SG 3.37Å; C127-C243 WeakPolarHBondContact SG-CB 3.32Å; C127-C243 CovalentContact SG-SG 2.04Å; C127-C243 PolarHBondContact SG-SG 3.36Å
244	Q	91.1	Very high	77.4	Confident	87 Å²	87	49.6 Å²	49.6	41%	0.407	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	117.4	173	179.4	174.8	40.6	0	0	109.3	F67 E68 W126 Y242	F67-Q244 WeakPolarHBondContact O-CA 3.46Å; E68-Q244 HydrophobicContact CG-CB 4.29Å; E68-Q244 HydrophobicContact CG-CG 3.92Å; E68-Q244 PolarHBondContact OE1-NE2 2.98Å; W126-Q244 WeakPolarHBondContact CB-O 3.28Å; W126-Q244 PolarHBondContact O-N 3.4Å; Y242-Q244 HydrophobicContact CE1-CB 3.87Å
245	S	89.7	Confident	78.3	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.021	26%	0.258	C	S	.	.			trans	-84	151.8	174.4	52.7	0	0	0	0	112.3	F67	F67-S245 WeakPolarHBondContact CD1-OG 3.29Å; F67-S245 WeakPolarHBondContact CD2-OG 3.19Å; F67-S245 VanDerWaalsContact CE1-OG 3.3Å; F67-S245 WeakPolarHBondContact CE1-OG 3.32Å; F67-S245 WeakPolarHBondContact CG-OG 3.45Å; F67-S245 VanDerWaalsContact CZ-CB 3.45Å; F67-S245 PolarHBondContact N-OG 3.41Å; F67-S245 PolarHBondContact O-N 3.02Å; F67-S245 PolarHBondContact O-OG 3.24Å
246	P	87.9	Confident	79.5	Confident	68 Å²	68	41.6 Å²	41.6	44%	0.442	22%	0.224	S	C	.	.			trans	-64	169.6	162.3	31.3	-35.5	0	0	0	110.1	W126 I248	W126-P246 HydrophobicContact CZ2-CG 3.95Å; P246-I248 PolarHBondContact O-N 3.09Å
247	N	84.1	Confident	80.5	Confident	78 Å²	78	40.2 Å²	40.2	42%	0.417	21%	0.212	S	C	.	.			trans	-65.2	106.5	168.6	-70.5	-30	0	0	0	109.4	Q66 P249	Q66-N247 VanDerWaalsContact CB-OD1 3.3Å; Q66-N247 WeakPolarHBondContact CB-OD1 3.26Å; Q66-N247 VanDerWaalsContact CD-OD1 3.24Å; Q66-N247 PolarHBondContact OE1-OD1 3.24Å; Q66-N247 VanDerWaalsContact OE1-OD1 3.14Å; N247-P249 WeakPolarHBondContact O-CD 3.31Å
248	I	86.1	Confident	81.4	Confident	21 Å²	21	40.8 Å²	40.8	11%	0.108	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112.3	178.9	-59.7	162.4	0	0	0	107.4	S64 I65 F67 F117 W126 P246 L250	S64-I248 CarbonylContact C-O 3.57Å; S64-I248 VanDerWaalsContact CA-O 3.29Å; S64-I248 WeakPolarHBondContact CA-O 3.29Å; I65-I248 PolarHBondContact N-O 3.23Å; I65-I248 WeakPolarHBondContact O-CB 3.25Å; I65-I248 PolarHBondContact O-N 3.21Å; F67-I248 HydrophobicContact CE1-CD1 3.98Å; F117-I248 HydrophobicContact CE1-CD1 4.07Å; W126-I248 HydrophobicContact CH2-CD1 3.7Å; W126-I248 HydrophobicContact CH2-CG1 4.21Å; W126-I248 HydrophobicContact CZ3-CD1 3.85Å; P246-I248 PolarHBondContact O-N 3.09Å; I248-L250 PolarHBondContact O-N 3.25Å
249	P	84.7	Confident	82.2	Confident	84 Å²	84	39.1 Å²	39.1	55%	0.545	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135	175.8	28.4	-33.5	0	0	0	109.9	N247	N247-P249 WeakPolarHBondContact O-CD 3.31Å
250	L	79.4	Confident	82.5	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	107.3	178.3	-169.5	92	0	0	0	107.9	F58 S63 I65 I248 V252 W258 I651	F58-L250 HydrophobicContact CB-CD2 3.82Å; F58-L250 HydrophobicContact CD1-CD2 3.76Å; F58-L250 HydrophobicContact CD2-CD2 3.42Å; F58-L250 VanDerWaalsContact CD2-CD2 3.42Å; F58-L250 HydrophobicContact CE1-CD2 4.1Å; F58-L250 HydrophobicContact CE2-CD2 3.79Å; F58-L250 HydrophobicContact CG-CD2 3.37Å; F58-L250 HydrophobicContact CZ-CD2 4.1Å; S63-L250 VanDerWaalsContact CB-O 3.29Å; S63-L250 WeakPolarHBondContact CB-O 3.29Å; S63-L250 PolarHBondContact O-N 3.07Å; I65-L250 HydrophobicContact CD1-CD1 3.88Å; I65-L250 HydrophobicContact CD1-CD2 4.27Å; I65-L250 HydrophobicContact CD1-CG 4.46Å; I248-L250 PolarHBondContact O-N 3.25Å; L250-V252 HydrophobicContact CD2-CG2 3.34Å; L250-V252 HydrophobicContact CG-CG2 3.69Å; L250-W258 HydrophobicContact CD1-CH2 4.17Å; L250-W258 HydrophobicContact CD1-CZ2 4.07Å; L250-W258 HydrophobicContact CD2-CZ2 4.45Å; L250-I651 HydrophobicContact CD1-CD1 3.52Å; L250-I651 HydrophobicContact CG-CD1 4.37Å
251	I	78.1	Confident	82.4	Confident	42 Å²	42	34.5 Å²	34.5	22%	0.215	18%	0.181	C	C	.	.			trans	-93.6	115.4	176.4	-75	162.3	0	0	0	109.1	S61 I650	S61-I251 VanDerWaalsContact O-CG1 3.25Å; S61-I251 WeakPolarHBondContact O-CG1 3.49Å; I251-I650 HydrophobicContact CB-CB 3.89Å; I251-I650 HydrophobicContact CB-CG2 4.35Å; I251-I650 HydrophobicContact CD1-CB 3.71Å; I251-I650 HydrophobicContact CD1-CD1 4.33Å; I251-I650 HydrophobicContact CD1-CG2 3.2Å; I251-I650 HydrophobicContact CG1-CB 4.37Å; I251-I650 HydrophobicContact CG1-CG2 4.28Å; I251-I650 HydrophobicContact CG2-CB 4.04Å; I251-I650 HydrophobicContact CG2-CD1 4.14Å
252	V	75.7	Confident	82.2	Confident	11 Å²	11	35 Å²	35	7%	0.067	18%	0.183	C	C	.	.			trans	-124.3	114.5	-179.5	-157.8	0	0	0	0	109.8	F58 S60 L250 R254 P647	F58-V252 HydrophobicContact CB-CB 4.44Å; F58-V252 HydrophobicContact CB-CG2 3.79Å; S60-V252 PolarHBondContact O-N 3.2Å; L250-V252 HydrophobicContact CD2-CG2 3.34Å; L250-V252 HydrophobicContact CG-CG2 3.69Å; V252-R254 WeakPolarHBondContact CG1-O 3.33Å; V252-R254 PolarHBondContact O-N 3.39Å; V252-P647 HydrophobicContact CG1-CB 4.5Å
253	N	72.7	Confident	81.8	Confident	111 Å²	111	34.4 Å²	34.4	59%	0.594	18%	0.181	S	C	*	.	S	Bend	trans	-77.3	-7.5	-176.9	-66.2	-8.4	0	0	0	114.1	G648	N253-G648 WeakPolarHBondContact ND2-CA 3.47Å
254	R	75.7	Confident	81.1	Confident	91 Å²	91	35 Å²	35	34%	0.343	18%	0.184	S	C	.	.	S	Bend	trans	-147.4	154.6	-179.7	85.1	-167	-180	-166.6	0.6	109.4	V252 S256 P645 P647	V252-R254 WeakPolarHBondContact CG1-O 3.33Å; V252-R254 PolarHBondContact O-N 3.39Å; R254-S256 WeakPolarHBondContact CG-OG 3.48Å; R254-S256 PolarHBondContact O-N 3.31Å; R254-S256 PolarHBondContact O-OG 2.7Å; R254-P645 PolarHBondContact NH1-O 3.1Å; R254-P647 HydrophobicContact CG-CB 3.83Å; R254-P647 HydrophobicContact CG-CG 4.32Å
255	P	74.8	Confident	80.3	Confident	45 Å²	45	31.3 Å²	31.3	29%	0.292	17%	0.169	S	C	.	.			trans	-60.4	125.8	174.7	24.4	-30	0	0	0	108.9	F58 L59 W521	F58-P255 WeakPolarHBondContact O-CA 3.41Å; L59-P255 HydrophobicContact CB-CB 4.44Å; L59-P255 HydrophobicContact CD1-CB 3.96Å; L59-P255 HydrophobicContact CD1-CG 4.21Å; L59-P255 HydrophobicContact CD2-CB 4.41Å; P255-W521 HydrophobicContact CB-CB 3.55Å; P255-W521 HydrophobicContact CB-CG 4.14Å; P255-W521 HydrophobicContact CG-CB 3.86Å; P255-W521 HydrophobicContact CG-CG 4.02Å
256	S	76.3	Confident	79.2	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	134	178.6	-63.5	0	0	0	0	109.3	C57 F58 R254	C57-S256 WeakPolarHBondContact CA-O 3.4Å; F58-S256 PolarHBondContact N-O 3.46Å; F58-S256 PolarHBondContact O-N 2.93Å; R254-S256 WeakPolarHBondContact CG-OG 3.48Å; R254-S256 PolarHBondContact O-N 3.31Å; R254-S256 PolarHBondContact O-OG 2.7Å
257	W	77.7	Confident	77.7	Confident	27 Å²	27	38.2 Å²	38.2	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.4	176.8	-77.8	99.5	0	0	0	109.7	K55 C57 W84 D85 F259 Q311	K55-W257 HydrophobicContact CD-CE3 4.34Å; K55-W257 HydrophobicContact CD-CZ3 4Å; K55-W257 HydrophobicContact CG-CE3 4.5Å; K55-W257 HydrophobicContact CG-CZ3 4.11Å; C57-W257 HydrophobicContact CB-CD2 3.71Å; C57-W257 HydrophobicContact CB-CE3 3.78Å; C57-W257 HydrophobicContact CB-CG 4.32Å; C57-W257 HydrophobicContact CB-CH2 4.08Å; C57-W257 HydrophobicContact CB-CZ2 3.99Å; C57-W257 HydrophobicContact CB-CZ3 3.96Å; W84-W257 CarbonylContact C-O 3.49Å; W84-W257 WeakPolarHBondContact CA-O 3.39Å; W84-W257 VanDerWaalsContact CB-O 3.29Å; W84-W257 WeakPolarHBondContact CB-O 3.16Å; D85-W257 HydrophobicContact CB-CB 3.8Å; D85-W257 PolarHBondContact N-O 3.12Å; D85-W257 PolarHBondContact OD1-N 2.98Å; D85-W257 VanDerWaalsContact OD1-N 3.17Å; W257-F259 HydrophobicContact CB-CE2 3.91Å; W257-F259 HydrophobicContact CB-CZ 4.08Å; W257-Q311 HydrophobicContact CH2-CB 4.49Å; W257-Q311 HydrophobicContact CH2-CG 4.22Å; W257-Q311 HydrophobicContact CZ2-CB 4.2Å; W257-Q311 HydrophobicContact CZ2-CG 4.41Å
258	W	81.4	Confident	76.1	Confident	30 Å²	30	40.9 Å²	40.9	11%	0.114	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.9	173.5	-72.5	69.6	0	0	0	110	K55 F56 F58 F83 W84 L250 F260	K55-W258 CarbonylContact C-O 3.44Å; K55-W258 WeakPolarHBondContact CA-O 3.23Å; F56-W258 PolarHBondContact N-O 3.43Å; F56-W258 PolarHBondContact O-N 3.38Å; F58-W258 HydrophobicContact CD2-CB 3.99Å; F58-W258 AromaticContact CD2-CD1 3.42Å; F58-W258 VanDerWaalsContact CD2-CD1 3.42Å; F58-W258 AromaticContact CD2-CG 3.72Å; F58-W258 HydrophobicContact CD2-CG 3.72Å; F58-W258 HydrophobicContact CE2-CB 3.9Å; F58-W258 AromaticContact CE2-CG 3.97Å; F58-W258 HydrophobicContact CE2-CG 3.97Å; F83-W258 CarbonylContact O-C 3.52Å; F83-W258 WeakPolarHBondContact O-CA 3.42Å; W84-W258 HydrophobicContact CB-CD2 4.23Å; W84-W258 HydrophobicContact CB-CG 4.4Å; W84-W258 AromaticContact CE3-CH2 3.88Å; W84-W258 HydrophobicContact CE3-CH2 3.88Å; W84-W258 HydrophobicContact CE3-CZ2 4.11Å; W84-W258 HydrophobicContact CE3-CZ3 4.27Å; W84-W258 HydrophobicContact CZ3-CH2 4.4Å; L250-W258 HydrophobicContact CD1-CH2 4.17Å; L250-W258 HydrophobicContact CD1-CZ2 4.07Å; L250-W258 HydrophobicContact CD2-CZ2 4.45Å; W258-F260 HydrophobicContact CB-CE2 4.07Å; W258-F260 HydrophobicContact CB-CZ 4.22Å
259	F	80.6	Confident	74.5	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.8	-179.3	-57.7	-89.9	0	0	0	108.8	Y52 K55 S82 F83 D85 W90 W257 V452	Y52-F259 HydrophobicContact CD1-CD1 4.35Å; Y52-F259 HydrophobicContact CD2-CD1 4.2Å; Y52-F259 HydrophobicContact CE1-CD1 4.5Å; Y52-F259 HydrophobicContact CE2-CD1 4.35Å; Y52-F259 HydrophobicContact CG-CD1 4.19Å; K55-F259 HydrophobicContact CB-CD1 3.8Å; K55-F259 HydrophobicContact CB-CE1 4.03Å; K55-F259 HydrophobicContact CD-CE1 4.18Å; S82-F259 WeakPolarHBondContact CA-O 3.31Å; F83-F259 HydrophobicContact CD1-CB 4.14Å; F83-F259 HydrophobicContact CD2-CB 3.98Å; F83-F259 AromaticContact CD2-CD2 4Å; F83-F259 HydrophobicContact CD2-CD2 4Å; F83-F259 HydrophobicContact CD2-CG 4.33Å; F83-F259 HydrophobicContact CE1-CB 3.69Å; F83-F259 HydrophobicContact CE2-CB 3.51Å; F83-F259 AromaticContact CE2-CD2 3.75Å; F83-F259 HydrophobicContact CE2-CD2 3.75Å; F83-F259 AromaticContact CE2-CG 3.77Å; F83-F259 HydrophobicContact CE2-CG 3.77Å; F83-F259 HydrophobicContact CG-CB 4.28Å; F83-F259 HydrophobicContact CZ-CB 3.36Å; F83-F259 HydrophobicContact CZ-CD2 4.44Å; F83-F259 HydrophobicContact CZ-CG 4.01Å; F83-F259 PolarHBondContact N-O 3.04Å; F83-F259 PolarHBondContact O-N 3.08Å; D85-F259 HydrophobicContact CB-CE2 4.09Å; W90-F259 HydrophobicContact CE3-CD2 4.45Å; W90-F259 HydrophobicContact CE3-CE2 4.13Å; W90-F259 HydrophobicContact CE3-CZ 4.41Å; W90-F259 HydrophobicContact CH2-CE1 4.23Å; W90-F259 HydrophobicContact CH2-CZ 4.29Å; W90-F259 HydrophobicContact CZ3-CD1 4.11Å; W90-F259 AromaticContact CZ3-CD2 3.94Å; W90-F259 HydrophobicContact CZ3-CD2 3.94Å; W90-F259 AromaticContact CZ3-CE1 3.81Å; W90-F259 HydrophobicContact CZ3-CE1 3.81Å; W90-F259 AromaticContact CZ3-CE2 3.64Å; W90-F259 HydrophobicContact CZ3-CE2 3.64Å; W90-F259 HydrophobicContact CZ3-CG 4.17Å; W90-F259 AromaticContact CZ3-CZ 3.57Å; W90-F259 HydrophobicContact CZ3-CZ 3.57Å; W257-F259 HydrophobicContact CB-CE2 3.91Å; W257-F259 HydrophobicContact CB-CZ 4.08Å; F259-V452 HydrophobicContact CZ-CG2 4.15Å
260	F	84	Confident	72.7	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.2	-177.1	-59.2	-90.1	0	0	0	110.3	Y52 F53 A54 F58 I65 L80 K81 W258 L293 L295	Y52-F260 CarbonylContact C-O 3.52Å; Y52-F260 VanDerWaalsContact CA-O 3.24Å; Y52-F260 WeakPolarHBondContact CA-O 3.45Å; Y52-F260 VanDerWaalsContact CB-O 3.29Å; Y52-F260 WeakPolarHBondContact CB-O 3.12Å; F53-F260 WeakPolarHBondContact CD1-O 3.31Å; F53-F260 HydrophobicContact CE1-CB 4.06Å; F53-F260 HydrophobicContact CE2-CB 4.06Å; F53-F260 HydrophobicContact CZ-CB 3.69Å; F53-F260 PolarHBondContact N-O 3.03Å; A54-F260 HydrophobicContact CB-CB 4.33Å; A54-F260 HydrophobicContact CB-CD2 4.23Å; A54-F260 PolarHBondContact O-N 3.29Å; F58-F260 HydrophobicContact CE2-CZ 4.28Å; I65-F260 HydrophobicContact CD1-CE1 4.21Å; I65-F260 HydrophobicContact CD1-CZ 3.95Å; L80-F260 HydrophobicContact CD1-CB 4.43Å; K81-F260 WeakPolarHBondContact O-CA 3.33Å; W258-F260 HydrophobicContact CB-CE2 4.07Å; W258-F260 HydrophobicContact CB-CZ 4.22Å; F260-L293 HydrophobicContact CB-CD2 4.04Å; F260-L293 HydrophobicContact CD1-CD2 4.1Å; F260-L293 HydrophobicContact CD2-CD2 3.68Å; F260-L293 HydrophobicContact CE2-CD2 4.13Å; F260-L293 HydrophobicContact CG-CD2 3.66Å; F260-L295 HydrophobicContact CD2-CD1 4.26Å; F260-L295 HydrophobicContact CE1-CD2 4.5Å; F260-L295 HydrophobicContact CE2-CD1 3.73Å; F260-L295 HydrophobicContact CE2-CD2 3.84Å; F260-L295 HydrophobicContact CE2-CG 4.49Å; F260-L295 HydrophobicContact CZ-CD1 4.45Å; F260-L295 HydrophobicContact CZ-CD2 3.71Å
261	T	81.9	Confident	71	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.8	178.7	-175.4	0	0	0	0	110.1	D51 K81 F83	D51-T261 PolarHBondContact O-OG1 3.02Å; K81-T261 HydrophobicContact CB-CG2 3.89Å; K81-T261 HydrophobicContact CD-CG2 4.13Å; K81-T261 HydrophobicContact CG-CG2 4.29Å; K81-T261 PolarHBondContact N-O 3.04Å; K81-T261 PolarHBondContact O-N 3.5Å; F83-T261 HydrophobicContact CE1-CG2 3.91Å
262	F	83.9	Confident	69.5	Low	10 Å²	10	55.5 Å²	55.5	4%	0.044	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.8	174.4	-63.7	-69.4	0	0	0	110	A44 L46 F53 F69 V78 K79 L80 L119 I289 Y291	A44-F262 HydrophobicContact CB-CD2 3.8Å; A44-F262 HydrophobicContact CB-CE2 3.73Å; L46-F262 HydrophobicContact CD2-CB 4.41Å; F53-F262 AromaticContact CD1-CD2 3.67Å; F53-F262 HydrophobicContact CD1-CD2 3.67Å; F53-F262 AromaticContact CD1-CE2 3.53Å; F53-F262 HydrophobicContact CD1-CE2 3.53Å; F53-F262 HydrophobicContact CD1-CZ 4.3Å; F53-F262 HydrophobicContact CE1-CD1 4.38Å; F53-F262 AromaticContact CE1-CD2 3.58Å; F53-F262 HydrophobicContact CE1-CD2 3.58Å; F53-F262 HydrophobicContact CE1-CE1 4.15Å; F53-F262 AromaticContact CE1-CE2 3.29Å; F53-F262 HydrophobicContact CE1-CE2 3.29Å; F53-F262 HydrophobicContact CE1-CG 4.12Å; F53-F262 AromaticContact CE1-CZ 3.61Å; F53-F262 HydrophobicContact CE1-CZ 3.61Å; F53-F262 HydrophobicContact CG-CE2 4.26Å; F53-F262 HydrophobicContact CZ-CE1 4.41Å; F53-F262 AromaticContact CZ-CE2 3.86Å; F53-F262 HydrophobicContact CZ-CE2 3.86Å; F53-F262 AromaticContact CZ-CZ 3.79Å; F53-F262 HydrophobicContact CZ-CZ 3.79Å; F69-F262 HydrophobicContact CD1-CE1 4.03Å; F69-F262 AromaticContact CD1-CZ 3.75Å; F69-F262 HydrophobicContact CD1-CZ 3.75Å; F69-F262 AromaticContact CE1-CE1 3.81Å; F69-F262 HydrophobicContact CE1-CE1 3.81Å; F69-F262 AromaticContact CE1-CZ 3.51Å; F69-F262 HydrophobicContact CE1-CZ 3.51Å; F69-F262 HydrophobicContact CE2-CE1 4.37Å; F69-F262 HydrophobicContact CG-CE1 4.45Å; F69-F262 AromaticContact CZ-CE1 3.98Å; F69-F262 HydrophobicContact CZ-CE1 3.98Å; F69-F262 HydrophobicContact CZ-CZ 4.12Å; V78-F262 HydrophobicContact CG1-CD1 4.23Å; K79-F262 WeakPolarHBondContact O-CA 3.17Å; L80-F262 HydrophobicContact CD1-CD1 4.36Å; L80-F262 HydrophobicContact CD1-CE1 4.06Å; L119-F262 HydrophobicContact CD1-CD1 4.2Å; L119-F262 HydrophobicContact CD1-CE1 3.9Å; F262-I289 HydrophobicContact CB-CD1 4.39Å; F262-I289 HydrophobicContact CD1-CD1 3.88Å; F262-I289 HydrophobicContact CD2-CD1 4.23Å; F262-I289 HydrophobicContact CE1-CD1 4.17Å; F262-I289 HydrophobicContact CE1-CG2 4.32Å; F262-I289 HydrophobicContact CE2-CB 4.42Å; F262-I289 HydrophobicContact CE2-CG2 4.29Å; F262-I289 HydrophobicContact CG-CD1 3.91Å; F262-I289 HydrophobicContact CZ-CD1 4.47Å; F262-I289 HydrophobicContact CZ-CG2 3.94Å; F262-Y291 HydrophobicContact CE2-CD1 4.24Å; F262-Y291 HydrophobicContact CE2-CG 4.45Å
263	D	79.4	Confident	68.1	Low	1 Å²	1	62 Å²	62	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.2	178.4	-152.6	43.4	0	0	0	107.9	K79 R104 Q105	K79-D263 PolarHBondContact N-O 3.35Å; K79-D263 PolarHBondContact O-N 3.33Å; R104-D263 IonicContact CZ-OD1 3.34Å; R104-D263 IonicContact NH2-OD1 2.63Å; R104-D263 PolarHBondContact NH2-OD1 3.46Å; Q105-D263 VanDerWaalsContact CG-OD2 3.28Å; Q105-D263 WeakPolarHBondContact CG-OD2 3.46Å; Q105-D263 PolarHBondContact NE2-OD2 3.49Å
264	S	78.1	Confident	66.9	Low	11 Å²	11	64.8 Å²	64.8	8%	0.077	32%	0.324	C	S	.	.			trans	-128.4	88.7	177.4	-179.1	0	0	0	0	108.7	P77 N266	P77-S264 WeakPolarHBondContact O-CA 3.43Å; P77-S264 WeakPolarHBondContact O-CB 3.35Å; P77-S264 PolarHBondContact O-OG 3.05Å; S264-N266 PolarHBondContact O-N 3.37Å
265	C	74.2	Confident	65.5	Low	11 Å²	11	68.9 Å²	68.9	7%	0.074	35%	0.347	C	S	.	.			trans	-80.5	100	174.2	-54.3	0	0	0	0	108.9	C101 F102 Q105	C101-C265 HydrophobicContact CB-CB 3.88Å; C101-C265 WeakPolarHBondContact CB-SG 3.25Å; C101-C265 WeakPolarHBondContact SG-CA 3.5Å; C101-C265 WeakPolarHBondContact SG-CB 3.2Å; C101-C265 CovalentContact SG-SG 2.02Å; C101-C265 PolarHBondContact SG-SG 3.43Å; F102-C265 HydrophobicContact CD1-CB 4.19Å; F102-C265 HydrophobicContact CD2-CB 4.32Å; F102-C265 HydrophobicContact CE1-CB 3.75Å; F102-C265 HydrophobicContact CE2-CB 3.89Å; F102-C265 HydrophobicContact CG-CB 4.45Å; F102-C265 HydrophobicContact CZ-CB 3.57Å; Q105-C265 PolarHBondContact NE2-SG 3.42Å
266	N	67.3	Low	64	Low	62 Å²	62	70 Å²	70	33%	0.332	35%	0.353	S	S	.	.			trans	-100.3	116.6	169.8	-102.8	-32.7	0	0	0	109.7	P77 S264 L268 K269	P77-N266 WeakPolarHBondContact CD-OD1 3.47Å; S264-N266 PolarHBondContact O-N 3.37Å; N266-L268 PolarHBondContact O-N 2.93Å; N266-K269 HydrophobicContact CB-CB 4.44Å; N266-K269 PolarHBondContact O-N 3.31Å
267	E	55.5	Low	62.3	Low	153 Å²	153	75.3 Å²	75.3	72%	0.715	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-58.1	-31.4	177.1	-67.3	-166.2	162	0	0	111.8	F102 K269	F102-E267 HydrophobicContact CE1-CG 4.48Å; F102-E267 HydrophobicContact CE2-CG 3.67Å; F102-E267 HydrophobicContact CZ-CG 3.43Å; F102-E267 VanDerWaalsContact CZ-CG 3.43Å; E267-K269 VanDerWaalsContact C-N 3.34Å; E267-K269 PolarHBondContact O-N 2.96Å
268	L	51.7	Low	60.7	Low	135 Å²	135	82.5 Å²	82.5	71%	0.707	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-77.1	-6.6	-178.1	-81.6	137.3	0	0	0	115.8	N266 L270	N266-L268 PolarHBondContact O-N 2.93Å; L268-L270 VanDerWaalsContact C-N 3.32Å
269	K	52.2	Low	58.7	Low	81 Å²	81	90.3 Å²	90.3	35%	0.352	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-79.6	-14	179.9	-110	179.4	177.9	179.6	0	113.1	N266 E267 M273	N266-K269 HydrophobicContact CB-CB 4.44Å; N266-K269 PolarHBondContact O-N 3.31Å; E267-K269 VanDerWaalsContact C-N 3.34Å; E267-K269 PolarHBondContact O-N 2.96Å; K269-M273 WeakPolarHBondContact O-CE 3.39Å
270	L	46.1	Very low	56.8	Low	139 Å²	139	91.7 Å²	91.7	73%	0.728	47%	0.471	S	S	*	.	S	Bend	trans	-85	-27	-173.7	-163.6	63	0	0	0	113.6	L268	L268-L270 VanDerWaalsContact C-N 3.32Å
271	D	43.8	Very low	54.7	Low	141 Å²	141	99.6 Å²	99.6	75%	0.754	51%	0.508	S	S	*	.	S	Bend	trans	-92.8	-13.8	-175.5	-71.6	-22.3	0	0	0	114.3
272	N	47.3	Very low	52.7	Low	97 Å²	97	106.9 Å²	106.9	52%	0.519	54%	0.539	S	S	.	.	S	Bend	trans	-104.9	5.7	-172.3	-69.8	-32.2	0	0	0	115.3	I274 T276	N272-I274 PolarHBondContact O-N 3.45Å; N272-T276 PolarHBondContact O-OG1 3.49Å
273	M	44.8	Very low	50.5	Low	148 Å²	148	111.8 Å²	111.8	73%	0.729	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-7.8	-176.9	-73.7	-165.9	-161.7	0	0	114.8	K269	K269-M273 WeakPolarHBondContact O-CE 3.39Å
274	I	48.7	Very low	48.6	Very low	170 Å²	170	117 Å²	117	87%	0.872	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-16.4	-175.6	-64	177	0	0	0	113.3	N272	N272-I274 PolarHBondContact O-N 3.45Å
275	E	46	Very low	47.2	Very low	176 Å²	176	119 Å²	119	82%	0.822	60%	0.599	S	S	*	*	S	Bend	trans	-118.4	0.3	-165.8	-155	162	-164.4	0	0	116.1
276	T	42.5	Very low	46.3	Very low	69 Å²	69	121.1 Å²	121.1	42%	0.423	61%	0.608	S	S	.	*			trans	-130.8	50.8	-169.5	43.9	0	0	0	0	114.5	N272 T280	N272-T276 PolarHBondContact O-OG1 3.49Å; T276-T280 HydrophobicContact CG2-CG2 4.34Å; T276-T280 WeakPolarHBondContact O-CG2 3.36Å; T276-T280 PolarHBondContact O-OG1 3.45Å
277	S	41.1	Very low	46.5	Very low	112 Å²	112	120 Å²	120	78%	0.783	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-5.5	-177	60.2	0	0	0	0	116.4
278	M	43.5	Very low	47.6	Very low	179 Å²	179	114.9 Å²	114.9	88%	0.882	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	-17.1	-179.1	-75.2	-174	171.5	0	0	116.3
279	K	40.6	Very low	49.2	Very low	193 Å²	193	108.5 Å²	108.5	84%	0.839	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-13.6	178.1	-106.2	179.1	178.5	177.1	0	114.3
280	T	41.4	Very low	50.8	Low	30 Å²	30	104.7 Å²	104.7	18%	0.184	53%	0.527	C	S	.	.	G	3₁₀ helix	trans	-87.5	-17.1	-168.6	42.6	0	0	0	0	114	T276 K282 L283 F284	T276-T280 HydrophobicContact CG2-CG2 4.34Å; T276-T280 WeakPolarHBondContact O-CG2 3.36Å; T276-T280 PolarHBondContact O-OG1 3.45Å; T280-K282 PolarHBondContact O-N 2.76Å; T280-K282 VanDerWaalsContact O-N 3.1Å; T280-L283 PolarHBondContact O-N 2.92Å; T280-F284 HydrophobicContact CG2-CE2 4.33Å; T280-F284 WeakPolarHBondContact O-CD2 3.47Å; T280-F284 WeakPolarHBondContact O-CG 3.49Å; T280-F284 PolarHBondContact O-N 3.39Å; T280-F284 WeakPolarHBondContact OG1-CE2 3.46Å
281	Q	39.4	Very low	52.8	Low	167 Å²	167	99.4 Å²	99.4	78%	0.78	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23	-179.6	-148.1	164.3	1.9	0	0	113.7
282	K	38.9	Very low	54.9	Low	160 Å²	160	94 Å²	94	70%	0.696	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-90.7	-16.6	173.6	-119.3	-176.7	-179.8	-171.6	0	114.4	T280 T285	T280-K282 PolarHBondContact O-N 2.76Å; T280-K282 VanDerWaalsContact O-N 3.1Å; K282-T285 PolarHBondContact O-OG1 2.92Å
283	L	37.2	Very low	56.7	Low	112 Å²	112	89.3 Å²	89.3	59%	0.586	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-28.4	177.9	-153.8	79	0	0	0	111.5	T280 T285 K286	T280-L283 PolarHBondContact O-N 2.92Å; L283-T285 PolarHBondContact O-N 3.33Å; L283-T285 VanDerWaalsContact O-N 3.14Å; L283-K286 HydrophobicContact CD1-CD 4.42Å; L283-K286 PolarHBondContact O-N 3.11Å; L283-K286 VanDerWaalsContact O-N 3.12Å
284	F	41.2	Very low	58.7	Low	110 Å²	110	83.1 Å²	83.1	48%	0.482	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-61	-20.5	178.8	-77.6	-61.6	0	0	0	114.1	N47 T280 K286	N47-F284 PolarHBondContact ND2-O 3.26Å; T280-F284 HydrophobicContact CG2-CE2 4.33Å; T280-F284 WeakPolarHBondContact O-CD2 3.47Å; T280-F284 WeakPolarHBondContact O-CG 3.49Å; T280-F284 PolarHBondContact O-N 3.39Å; T280-F284 WeakPolarHBondContact OG1-CE2 3.46Å; F284-K286 VanDerWaalsContact C-N 3.27Å; F284-K286 PolarHBondContact O-N 2.88Å
285	T	47.6	Very low	60.5	Low	53 Å²	53	75.3 Å²	75.3	33%	0.325	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-74.8	-10.7	176.7	52.1	0	0	0	0	114.2	K282 L283	K282-T285 PolarHBondContact O-OG1 2.92Å; L283-T285 PolarHBondContact O-N 3.33Å; L283-T285 VanDerWaalsContact O-N 3.14Å
286	K	55.2	Low	62.5	Low	57 Å²	57	69 Å²	69	25%	0.248	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-84.6	-9.4	-173.2	-70.9	-169.6	175.5	-174.1	0	115.4	D233 L283 F284 K288	D233-K286 IonicContact OD1-NZ 3.57Å; L283-K286 HydrophobicContact CD1-CD 4.42Å; L283-K286 PolarHBondContact O-N 3.11Å; L283-K286 VanDerWaalsContact O-N 3.12Å; F284-K286 VanDerWaalsContact C-N 3.27Å; F284-K286 PolarHBondContact O-N 2.88Å; K286-K288 PolarHBondContact O-N 3.32Å
287	N	71.1	Confident	64.6	Low	38 Å²	38	65.7 Å²	65.7	20%	0.203	32%	0.321	C	S	.	.			trans	-101.9	56.2	-173.1	-63	-9.3	0	0	0	112.3	L46 N47	L46-N287 HydrophobicContact CB-CB 4.03Å; L46-N287 WeakPolarHBondContact CB-O 3.27Å; L46-N287 HydrophobicContact CD1-CB 4.02Å; L46-N287 VanDerWaalsContact CD1-O 3.29Å; L46-N287 WeakPolarHBondContact CD1-O 3.47Å; L46-N287 PolarHBondContact N-O 3.32Å; N47-N287 PolarHBondContact OD1-ND2 3.33Å
288	K	79.3	Confident	66.6	Low	46 Å²	46	60.6 Å²	60.6	20%	0.2	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.4	175.9	-62.5	-133.8	-175.3	169.6	0	111.4	I43 A44 Y223 F224 K286	I43-K288 HydrophobicContact CG2-CB 3.75Å; I43-K288 HydrophobicContact CG2-CD 3.6Å; I43-K288 HydrophobicContact CG2-CG 4.31Å; A44-K288 WeakPolarHBondContact O-CA 3.35Å; Y223-K288 HydrophobicContact CD1-CB 4.35Å; Y223-K288 HydrophobicContact CD1-CD 4.44Å; Y223-K288 HydrophobicContact CE1-CB 3.87Å; Y223-K288 HydrophobicContact CE1-CD 3.5Å; Y223-K288 HydrophobicContact CE1-CG 3.73Å; Y223-K288 HydrophobicContact CE2-CD 4.28Å; Y223-K288 VanDerWaalsContact CZ-CD 3.44Å; Y223-K288 WeakPolarHBondContact OH-CD 3.13Å; Y223-K288 WeakPolarHBondContact OH-CE 3.23Å; Y223-K288 PolarHBondContact OH-NZ 3.43Å; F224-K288 HydrophobicContact CZ-CB 4.31Å; K286-K288 PolarHBondContact O-N 3.32Å
289	I	85.6	Confident	68.4	Low	0 Å²	0	58 Å²	58	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.4	177	-61.2	171.8	0	0	0	108.2	I43 A44 L46 F69 F71 V78 F262	I43-I289 CarbonylContact C-O 3.53Å; I43-I289 WeakPolarHBondContact CA-O 3.44Å; A44-I289 PolarHBondContact N-O 3.48Å; A44-I289 PolarHBondContact O-N 2.83Å; L46-I289 HydrophobicContact CD1-CD1 3.54Å; L46-I289 HydrophobicContact CD1-CG1 3.46Å; L46-I289 VanDerWaalsContact CD1-CG1 3.46Å; L46-I289 HydrophobicContact CD2-CD1 3.72Å; L46-I289 HydrophobicContact CG-CD1 3.59Å; L46-I289 HydrophobicContact CG-CG1 3.97Å; F69-I289 HydrophobicContact CB-CG2 4.27Å; F69-I289 HydrophobicContact CD1-CG2 4.42Å; F71-I289 HydrophobicContact CB-CB 4.29Å; F71-I289 HydrophobicContact CB-CG1 3.79Å; F71-I289 HydrophobicContact CB-CG2 4.35Å; F71-I289 HydrophobicContact CD1-CG1 4.29Å; F71-I289 HydrophobicContact CD1-CG2 4.16Å; F71-I289 HydrophobicContact CG-CG1 4.08Å; V78-I289 HydrophobicContact CG1-CD1 3.56Å; V78-I289 HydrophobicContact CG2-CD1 4.37Å; F262-I289 HydrophobicContact CB-CD1 4.39Å; F262-I289 HydrophobicContact CD1-CD1 3.88Å; F262-I289 HydrophobicContact CD2-CD1 4.23Å; F262-I289 HydrophobicContact CE1-CD1 4.17Å; F262-I289 HydrophobicContact CE1-CG2 4.32Å; F262-I289 HydrophobicContact CE2-CB 4.42Å; F262-I289 HydrophobicContact CE2-CG2 4.29Å; F262-I289 HydrophobicContact CG-CD1 3.91Å; F262-I289 HydrophobicContact CZ-CD1 4.47Å; F262-I289 HydrophobicContact CZ-CG2 3.94Å
290	A	86.6	Confident	70.3	Confident	1 Å²	1	54 Å²	54	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.9	163.1	0	0	0	0	0	108.6	G42 F69 A70 V216 A220	G42-A290 WeakPolarHBondContact O-CA 3.48Å; F69-A290 CarbonylContact C-O 3.57Å; F69-A290 WeakPolarHBondContact CA-O 3.37Å; A70-A290 PolarHBondContact N-O 3.31Å; A70-A290 PolarHBondContact O-N 2.98Å; V216-A290 HydrophobicContact CG1-CB 3.72Å; V216-A290 VanDerWaalsContact CG1-O 3.29Å; V216-A290 WeakPolarHBondContact CG1-O 3.24Å; A220-A290 HydrophobicContact CB-CB 3.42Å; A220-A290 VanDerWaalsContact CB-CB 3.42Å
291	Y	87.5	Confident	72.1	Confident	29 Å²	29	55.9 Å²	55.9	11%	0.114	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.4	-177.8	68.5	-91.6	0	0	0	111.7	F40 S41 G42 A44 F53 E68 F69 F262	F40-Y291 HydrophobicContact CB-CE2 4.18Å; F40-Y291 WeakPolarHBondContact O-CD2 3.43Å; F40-Y291 WeakPolarHBondContact O-CE2 3.25Å; S41-Y291 VanDerWaalsContact CA-O 3.23Å; S41-Y291 WeakPolarHBondContact CA-O 3.44Å; G42-Y291 PolarHBondContact N-O 3.38Å; G42-Y291 VanDerWaalsContact N-O 3.15Å; G42-Y291 WeakPolarHBondContact O-CD1 3.37Å; G42-Y291 WeakPolarHBondContact O-CE1 3.1Å; G42-Y291 PolarHBondContact O-N 2.94Å; A44-Y291 HydrophobicContact CB-CD1 3.87Å; A44-Y291 HydrophobicContact CB-CE1 3.82Å; F53-Y291 HydrophobicContact CB-CE1 4.24Å; F53-Y291 HydrophobicContact CD2-CD1 4.48Å; F53-Y291 AromaticContact CD2-CD2 3.72Å; F53-Y291 HydrophobicContact CD2-CD2 3.72Å; F53-Y291 HydrophobicContact CD2-CE1 4.26Å; F53-Y291 AromaticContact CD2-CE2 3.46Å; F53-Y291 HydrophobicContact CD2-CE2 3.46Å; F53-Y291 VanDerWaalsContact CD2-CE2 3.46Å; F53-Y291 HydrophobicContact CD2-CG 4.24Å; F53-Y291 AromaticContact CD2-CZ 3.75Å; F53-Y291 AromaticContact CE2-CD2 3.79Å; F53-Y291 HydrophobicContact CE2-CD2 3.79Å; F53-Y291 AromaticContact CE2-CE2 4Å; F53-Y291 HydrophobicContact CE2-CE2 4Å; F53-Y291 HydrophobicContact CE2-CG 4.28Å; F53-Y291 HydrophobicContact CG-CE1 4.38Å; F53-Y291 HydrophobicContact CG-CE2 4.32Å; E68-Y291 CarbonylContact O-C 3.57Å; E68-Y291 WeakPolarHBondContact O-CA 3.35Å; F69-Y291 VanDerWaalsContact CD1-CB 3.45Å; F262-Y291 HydrophobicContact CE2-CD1 4.24Å; F262-Y291 HydrophobicContact CE2-CG 4.45Å
292	R	87.9	Confident	74.1	Confident	26 Å²	26	50.6 Å²	50.6	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	113.5	168.7	-179.6	-171.3	-155.4	-179.2	6.8	107.8	I39 F40 F67 E68 Q215 V216 Y379	I39-R292 HydrophobicContact CB-CG 4.38Å; I39-R292 VanDerWaalsContact CD1-NH2 3.33Å; I39-R292 HydrophobicContact CG2-CB 4.39Å; I39-R292 HydrophobicContact CG2-CG 3.17Å; F40-R292 CarbonylContact O-C 3.49Å; F40-R292 VanDerWaalsContact O-CA 3.26Å; F40-R292 WeakPolarHBondContact O-CA 3.37Å; F67-R292 CarbonylContact C-O 3.58Å; F67-R292 WeakPolarHBondContact CA-O 3.38Å; E68-R292 HydrophobicContact CB-CB 4.18Å; E68-R292 PolarHBondContact N-O 3.16Å; E68-R292 PolarHBondContact O-N 3.47Å; E68-R292 VanDerWaalsContact OE2-CD 3.32Å; E68-R292 WeakPolarHBondContact OE2-CD 3.49Å; E68-R292 IonicContact OE2-NH1 3.31Å; E68-R292 PolarHBondContact OE2-NH1 2.96Å; Q215-R292 VanDerWaalsContact OE1-CZ 3.29Å; V216-R292 HydrophobicContact CG2-CB 3.36Å; V216-R292 HydrophobicContact CG2-CG 4.29Å; R292-Y379 PolarHBondContact NH2-OH 2.78Å
293	L	85.6	Confident	76.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.4	-176.9	-179.6	72.5	0	0	0	108.8	F40 F53 A54 I65 F67 F260 L295	F40-L293 HydrophobicContact CB-CB 4.16Å; F40-L293 PolarHBondContact N-O 3.37Å; F40-L293 PolarHBondContact O-N 3.41Å; F53-L293 HydrophobicContact CE2-CB 4.42Å; F53-L293 HydrophobicContact CE2-CD2 3.87Å; F53-L293 HydrophobicContact CZ-CD2 4.44Å; A54-L293 HydrophobicContact CB-CD2 3.67Å; I65-L293 HydrophobicContact CG2-CD1 4.09Å; F67-L293 HydrophobicContact CB-CD1 3.77Å; F260-L293 HydrophobicContact CB-CD2 4.04Å; F260-L293 HydrophobicContact CD1-CD2 4.1Å; F260-L293 HydrophobicContact CD2-CD2 3.68Å; F260-L293 HydrophobicContact CE2-CD2 4.13Å; F260-L293 HydrophobicContact CG-CD2 3.66Å; L293-L295 HydrophobicContact CD1-CD2 3.9Å; L293-L295 HydrophobicContact CD2-CD1 3.84Å; L293-L295 HydrophobicContact CD2-CD2 3.93Å; L293-L295 HydrophobicContact CD2-CG 4.11Å; L293-L295 HydrophobicContact CG-CD1 4.18Å; L293-L295 HydrophobicContact CG-CD2 3.7Å; L293-L295 HydrophobicContact CG-CG 3.9Å
294	T	86.7	Confident	78.5	Confident	17 Å²	17	44.4 Å²	44.4	10%	0.104	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.7	176.3	47.8	0	0	0	0	109	I39 Q66	I39-T294 HydrophobicContact CB-CG2 4.22Å; I39-T294 HydrophobicContact CD1-CG2 3.98Å; I39-T294 HydrophobicContact CG1-CG2 3.89Å; I39-T294 HydrophobicContact CG2-CG2 3.44Å; I39-T294 VanDerWaalsContact CG2-CG2 3.44Å; Q66-T294 WeakPolarHBondContact CB-OG1 3.48Å; Q66-T294 WeakPolarHBondContact CG-OG1 3.4Å; Q66-T294 PolarHBondContact N-O 3.48Å; Q66-T294 PolarHBondContact O-N 3.45Å; Q66-T294 PolarHBondContact O-OG1 2.92Å
295	L	86.1	Confident	80.6	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.8	-178.7	-53.6	171.2	0	0	0	107.4	F40 F56 F58 I65 F260 L293	F40-L295 HydrophobicContact CD2-CD1 3.86Å; F40-L295 HydrophobicContact CD2-CG 4.46Å; F40-L295 HydrophobicContact CE2-CD1 3.73Å; F56-L295 HydrophobicContact CB-CB 4.19Å; F56-L295 HydrophobicContact CB-CD1 3.37Å; F56-L295 HydrophobicContact CB-CG 4.34Å; F56-L295 HydrophobicContact CD1-CB 3.92Å; F56-L295 HydrophobicContact CD2-CB 3.85Å; F56-L295 HydrophobicContact CD2-CD1 4.21Å; F56-L295 HydrophobicContact CE1-CB 4.17Å; F56-L295 HydrophobicContact CE2-CB 4.12Å; F56-L295 HydrophobicContact CG-CB 3.74Å; F56-L295 HydrophobicContact CG-CD1 3.88Å; F56-L295 HydrophobicContact CG-CG 4.42Å; F56-L295 HydrophobicContact CZ-CB 4.27Å; F58-L295 HydrophobicContact CE1-CB 4.3Å; F58-L295 HydrophobicContact CZ-CB 3.99Å; F58-L295 HydrophobicContact CZ-CD2 3.82Å; F58-L295 HydrophobicContact CZ-CG 4.37Å; I65-L295 HydrophobicContact CB-CD2 4.35Å; I65-L295 HydrophobicContact CG1-CD2 3.95Å; I65-L295 HydrophobicContact CG2-CD2 3.91Å; F260-L295 HydrophobicContact CD2-CD1 4.26Å; F260-L295 HydrophobicContact CE1-CD2 4.5Å; F260-L295 HydrophobicContact CE2-CD1 3.73Å; F260-L295 HydrophobicContact CE2-CD2 3.84Å; F260-L295 HydrophobicContact CE2-CG 4.49Å; F260-L295 HydrophobicContact CZ-CD1 4.45Å; F260-L295 HydrophobicContact CZ-CD2 3.71Å; L293-L295 HydrophobicContact CD1-CD2 3.9Å; L293-L295 HydrophobicContact CD2-CD1 3.84Å; L293-L295 HydrophobicContact CD2-CD2 3.93Å; L293-L295 HydrophobicContact CD2-CG 4.11Å; L293-L295 HydrophobicContact CG-CD1 4.18Å; L293-L295 HydrophobicContact CG-CD2 3.7Å; L293-L295 HydrophobicContact CG-CG 3.9Å
296	R	88.2	Confident	82.4	Confident	43 Å²	43	40.5 Å²	40.5	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.9	-176	-56.3	-179.8	-171.4	-152.5	-8	111.6	F58 S63 S64 N300 E306	F58-R296 WeakPolarHBondContact CE1-O 3.27Å; S63-R296 CarbonylContact C-O 3.54Å; S63-R296 WeakPolarHBondContact CA-O 3.49Å; S63-R296 VanDerWaalsContact CB-O 3.27Å; S63-R296 WeakPolarHBondContact CB-O 3.42Å; S64-R296 PolarHBondContact N-O 2.88Å; S64-R296 PolarHBondContact O-N 3.15Å; R296-N300 PolarHBondContact NH1-OD1 2.7Å; R296-E306 CarbonylContact C-O 3.56Å; R296-E306 WeakPolarHBondContact CA-O 3.17Å; R296-E306 VanDerWaalsContact CB-O 3.31Å; R296-E306 WeakPolarHBondContact CB-O 3.34Å; R296-E306 HydrophobicContact CG-CG 4.34Å; R296-E306 IonicContact CZ-OE1 3.96Å; R296-E306 IonicContact NE-OE1 3.34Å; R296-E306 IonicContact NH1-OE1 2.84Å; R296-E306 PolarHBondContact NH1-OE1 2.89Å
297	N	86.3	Confident	83.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-109.1	-30.7	171.9	-85.6	-38.4	0	0	0	113.6	F56 C57 F58 L59 S60 N62 S63 H305 E306 F308 S310 F313	F56-N297 VanDerWaalsContact CE1-ND2 3.26Å; F56-N297 WeakPolarHBondContact CE1-ND2 3.38Å; C57-N297 PolarHBondContact O-ND2 2.75Å; F58-N297 WeakPolarHBondContact CA-OD1 3.42Å; F58-N297 WeakPolarHBondContact CD1-OD1 3.35Å; L59-N297 PolarHBondContact N-OD1 3.09Å; S60-N297 WeakPolarHBondContact CB-O 3.46Å; S60-N297 PolarHBondContact OG-O 3.33Å; N62-N297 CarbonylContact C-O 3.27Å; S63-N297 PolarHBondContact OG-OD1 3.21Å; N297-H305 WeakPolarHBondContact CB-O 3.3Å; N297-E306 PolarHBondContact N-O 3.49Å; N297-F308 PolarHBondContact ND2-O 2.77Å; N297-S310 PolarHBondContact ND2-N 2.92Å; N297-F313 HydrophobicContact CB-CE1 3.95Å; N297-F313 HydrophobicContact CB-CZ 3.64Å
298	G	82.6	Confident	84.4	Confident	4 Å²	4	37 Å²	37	4%	0.041	20%	0.195	C	C	.	.	S	Bend	trans	-96	169.3	177.9	0	0	0	0	0	113.4	H305	G298-H305 PolarHBondContact N-O 3.45Å
299	E	81.9	Confident	84.6	Confident	124 Å²	124	35 Å²	35	58%	0.579	19%	0.187	S	C	*	.	P	Polyproline II helix	trans	-66.7	159	164.2	-66.4	-179.9	177.4	0	0	110.4	N62 G301 D302	N62-E299 HydrophobicContact CB-CG 3.85Å; N62-E299 VanDerWaalsContact ND2-CG 3.27Å; N62-E299 WeakPolarHBondContact ND2-CG 3.26Å; N62-E299 PolarHBondContact ND2-OE1 3.38Å; E299-G301 PolarHBondContact O-N 3.31Å; E299-D302 WeakPolarHBondContact O-CB 3.32Å; E299-D302 PolarHBondContact O-N 2.85Å
300	N	79.7	Confident	84.3	Confident	111 Å²	111	35 Å²	35	59%	0.594	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	121.7	176.4	-62	-12.7	0	0	0	110	R296	R296-N300 PolarHBondContact NH1-OD1 2.7Å
301	G	79.2	Confident	83.8	Confident	69 Å²	69	36.1 Å²	36.1	71%	0.711	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	100	-5	-176.9	0	0	0	0	0	114.7	E299 L303 E306	E299-G301 PolarHBondContact O-N 3.31Å; G301-L303 PolarHBondContact O-N 3.07Å; G301-L303 VanDerWaalsContact O-N 3.15Å; G301-E306 PolarHBondContact N-OE2 2.63Å
302	D	82.7	Confident	83.4	Confident	55 Å²	55	35.7 Å²	35.7	29%	0.294	19%	0.191	S	C	.	.			trans	-78.4	95.5	171.5	-175.5	2.2	0	0	0	111.1	E299 F304 H305 E306	E299-D302 WeakPolarHBondContact O-CB 3.32Å; E299-D302 PolarHBondContact O-N 2.85Å; D302-F304 PolarHBondContact O-N 2.9Å; D302-F304 VanDerWaalsContact O-N 3.1Å; D302-F304 PolarHBondContact OD1-N 2.95Å; D302-F304 VanDerWaalsContact OD1-N 3.14Å; D302-H305 PolarHBondContact O-N 3.08Å; D302-H305 IonicContact OD1-ND1 3.91Å; D302-H305 WeakPolarHBondContact OD2-CB 3.21Å; D302-H305 IonicContact OD2-CG 2.97Å; D302-H305 IonicContact OD2-ND1 3.38Å; D302-H305 PolarHBondContact OD2-ND1 3.46Å; D302-E306 WeakPolarHBondContact O-CB 3.36Å; D302-E306 PolarHBondContact O-N 3.48Å
303	L	83.8	Confident	83.2	Confident	60 Å²	60	35.5 Å²	35.5	31%	0.314	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.1	-178.3	-168.7	73	0	0	0	113.8	G301 L316 A375 K376	G301-L303 PolarHBondContact O-N 3.07Å; G301-L303 VanDerWaalsContact O-N 3.15Å; L303-L316 HydrophobicContact CD2-CD2 4.1Å; L303-L316 HydrophobicContact CG-CD2 3.97Å; L303-A375 HydrophobicContact CD1-CB 3.51Å; L303-A375 HydrophobicContact CG-CB 3.89Å; L303-A375 VanDerWaalsContact O-CB 3.32Å; L303-A375 WeakPolarHBondContact O-CB 3.24Å; L303-K376 HydrophobicContact CD1-CG 3.73Å
304	F	84.2	Confident	83.1	Confident	82 Å²	82	36.4 Å²	36.4	36%	0.36	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-25	-170.2	-61.7	-75.9	0	0	0	113.4	D302 F308 L316 E317	D302-F304 PolarHBondContact O-N 2.9Å; D302-F304 VanDerWaalsContact O-N 3.1Å; D302-F304 PolarHBondContact OD1-N 2.95Å; D302-F304 VanDerWaalsContact OD1-N 3.14Å; F304-F308 VanDerWaalsContact O-CD2 3.26Å; F304-F308 WeakPolarHBondContact O-CD2 3.43Å; F304-L316 HydrophobicContact CD1-CB 4.43Å; F304-L316 HydrophobicContact CD1-CD2 3.86Å; F304-L316 HydrophobicContact CD1-CG 4.38Å; F304-L316 HydrophobicContact CE1-CD2 3.97Å; F304-L316 HydrophobicContact CE1-CG 4.39Å; F304-E317 HydrophobicContact CD1-CG 3.71Å; F304-E317 WeakPolarHBondContact CD1-OE1 3.37Å; F304-E317 HydrophobicContact CE1-CG 3.82Å
305	H	84.6	Confident	83.1	Confident	64 Å²	64	37.3 Å²	37.3	30%	0.296	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-18.4	-174	-49.4	91.8	0	0	0	114.4	N297 G298 D302 H307 F313	N297-H305 WeakPolarHBondContact CB-O 3.3Å; G298-H305 PolarHBondContact N-O 3.45Å; D302-H305 PolarHBondContact O-N 3.08Å; D302-H305 IonicContact OD1-ND1 3.91Å; D302-H305 WeakPolarHBondContact OD2-CB 3.21Å; D302-H305 IonicContact OD2-CG 2.97Å; D302-H305 IonicContact OD2-ND1 3.38Å; D302-H305 PolarHBondContact OD2-ND1 3.46Å; H305-H307 PolarHBondContact O-N 2.81Å; H305-F313 HydrophobicContact CB-CE1 4.05Å; H305-F313 HydrophobicContact CB-CZ 4.26Å; H305-F313 AromaticContact CD2-CD1 3.9Å; H305-F313 AromaticContact CD2-CD2 3.91Å; H305-F313 AromaticContact CD2-CE1 3.95Å; H305-F313 AromaticContact CD2-CE2 3.98Å; H305-F313 AromaticContact CD2-CG 3.88Å
306	E	84.9	Confident	83.2	Confident	17 Å²	17	37.3 Å²	37.3	8%	0.079	20%	0.203	C	C	.	.	S	Bend	trans	-53	-59.4	-171.2	-178.3	175.1	174.4	0	0	111.9	R296 N297 G301 D302	R296-E306 CarbonylContact C-O 3.56Å; R296-E306 WeakPolarHBondContact CA-O 3.17Å; R296-E306 VanDerWaalsContact CB-O 3.31Å; R296-E306 WeakPolarHBondContact CB-O 3.34Å; R296-E306 HydrophobicContact CG-CG 4.34Å; R296-E306 IonicContact CZ-OE1 3.96Å; R296-E306 IonicContact NE-OE1 3.34Å; R296-E306 IonicContact NH1-OE1 2.84Å; R296-E306 PolarHBondContact NH1-OE1 2.89Å; N297-E306 PolarHBondContact N-O 3.49Å; G301-E306 PolarHBondContact N-OE2 2.63Å; D302-E306 WeakPolarHBondContact O-CB 3.36Å; D302-E306 PolarHBondContact O-N 3.48Å
307	H	86	Confident	83.3	Confident	20 Å²	20	38.5 Å²	38.5	9%	0.093	21%	0.21	C	C	.	.	S	Bend	trans	-96.1	-13.1	-175.6	-62.7	-56.3	0	0	0	114	H305 F374 G378	H305-H307 PolarHBondContact O-N 2.81Å; H307-F374 HydrophobicContact CB-CE1 4.27Å; H307-F374 HydrophobicContact CB-CE2 3.73Å; H307-F374 HydrophobicContact CB-CZ 3.64Å; H307-F374 VanDerWaalsContact O-CZ 3.28Å; H307-F374 WeakPolarHBondContact O-CZ 3.41Å; H307-G378 VanDerWaalsContact CD2-CA 3.44Å; H307-G378 WeakPolarHBondContact CD2-CA 3.48Å; H307-G378 PolarHBondContact CD2-N 3.37Å; H307-G378 VanDerWaalsContact CD2-N 3.33Å; H307-G378 PolarHBondContact NE2-N 3.38Å
308	F	83.5	Confident	83.5	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	22%	0.216	C	C	.	.	S	Bend	trans	-77.2	133.7	-177.6	-68.2	-81.3	0	0	0	111.5	F56 N297 F304 E312 F313 K315 L316 F374 A375	F56-F308 WeakPolarHBondContact CZ-O 3.13Å; N297-F308 PolarHBondContact ND2-O 2.77Å; F304-F308 VanDerWaalsContact O-CD2 3.26Å; F304-F308 WeakPolarHBondContact O-CD2 3.43Å; F308-E312 HydrophobicContact CB-CB 4.4Å; F308-E312 HydrophobicContact CD1-CB 3.98Å; F308-F313 HydrophobicContact CB-CD1 4.12Å; F308-F313 HydrophobicContact CB-CE1 4.35Å; F308-F313 VanDerWaalsContact O-CE1 3.29Å; F308-F313 WeakPolarHBondContact O-CE1 3.5Å; F308-K315 HydrophobicContact CE1-CD 4.39Å; F308-L316 HydrophobicContact CE2-CB 4.39Å; F308-L316 HydrophobicContact CZ-CB 4.21Å; F308-F374 HydrophobicContact CD1-CD1 4.06Å; F308-F374 AromaticContact CD1-CE1 3.7Å; F308-F374 HydrophobicContact CD1-CE1 3.7Å; F308-F374 AromaticContact CE1-CD1 3.53Å; F308-F374 HydrophobicContact CE1-CD1 3.53Å; F308-F374 AromaticContact CE1-CE1 3.68Å; F308-F374 HydrophobicContact CE1-CE1 3.68Å; F308-F374 HydrophobicContact CE2-CD1 4.49Å; F308-F374 HydrophobicContact CG-CE1 4.23Å; F308-F374 AromaticContact CZ-CD1 3.78Å; F308-F374 HydrophobicContact CZ-CD1 3.78Å; F308-F374 HydrophobicContact CZ-CE1 4.2Å; F308-A375 HydrophobicContact CE2-CB 3.74Å; F308-A375 HydrophobicContact CZ-CB 4.11Å
309	S	82.6	Confident	83.9	Confident	6 Å²	6	39.5 Å²	39.5	4%	0.042	21%	0.214	C	C	.	.			trans	-62.5	150.1	163.7	176.3	0	0	0	0	108.9	C57 Q311 E312 F313	C57-S309 WeakPolarHBondContact CB-OG 3.47Å; C57-S309 PolarHBondContact N-OG 3.35Å; S309-Q311 PolarHBondContact O-N 3.33Å; S309-Q311 VanDerWaalsContact O-N 3.08Å; S309-E312 WeakPolarHBondContact O-CA 3.29Å; S309-E312 PolarHBondContact O-N 3.01Å; S309-F313 WeakPolarHBondContact O-CD1 3.45Å; S309-F313 PolarHBondContact O-N 2.99Å
310	S	79	Confident	84.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-55.4	-35.2	-177.6	72.2	0	0	0	0	113	C57 N297 E312 F313 W521	C57-S310 WeakPolarHBondContact CB-OG 3.38Å; C57-S310 WeakPolarHBondContact O-CB 3.09Å; C57-S310 PolarHBondContact O-N 2.97Å; C57-S310 PolarHBondContact O-OG 3.41Å; C57-S310 PolarHBondContact SG-OG 3.46Å; N297-S310 PolarHBondContact ND2-N 2.92Å; S310-E312 PolarHBondContact O-N 3.28Å; S310-E312 VanDerWaalsContact O-N 3.12Å; S310-F313 VanDerWaalsContact O-CB 3.25Å; S310-F313 WeakPolarHBondContact O-CB 3.41Å; S310-F313 VanDerWaalsContact O-CG 3.29Å; S310-F313 WeakPolarHBondContact O-CG 3.32Å; S310-F313 PolarHBondContact O-N 3.3Å; S310-W521 CarbonylContact C-O 3.6Å
311	Q	76.6	Confident	85.1	Confident	24 Å²	24	36.2 Å²	36.2	11%	0.112	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-55.7	-26.5	174.5	80.6	176.2	-10.7	0	0	114.5	W257 S309 W521 T525	W257-Q311 HydrophobicContact CH2-CB 4.49Å; W257-Q311 HydrophobicContact CH2-CG 4.22Å; W257-Q311 HydrophobicContact CZ2-CB 4.2Å; W257-Q311 HydrophobicContact CZ2-CG 4.41Å; S309-Q311 PolarHBondContact O-N 3.33Å; S309-Q311 VanDerWaalsContact O-N 3.08Å; Q311-W521 WeakPolarHBondContact CA-O 3.46Å; Q311-W521 PolarHBondContact N-O 3.21Å; Q311-T525 PolarHBondContact O-OG1 3.32Å
312	E	78.8	Confident	85.7	Confident	20 Å²	20	33 Å²	33	9%	0.093	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-104.9	6.1	-177.8	-52.7	-162.5	-175.3	0	0	111.8	F308 S309 S310 G314 K315	F308-E312 HydrophobicContact CB-CB 4.4Å; F308-E312 HydrophobicContact CD1-CB 3.98Å; S309-E312 WeakPolarHBondContact O-CA 3.29Å; S309-E312 PolarHBondContact O-N 3.01Å; S310-E312 PolarHBondContact O-N 3.28Å; S310-E312 VanDerWaalsContact O-N 3.12Å; E312-G314 PolarHBondContact O-N 3.43Å; E312-K315 HydrophobicContact CB-CB 4.29Å; E312-K315 HydrophobicContact CB-CD 4.16Å; E312-K315 WeakPolarHBondContact O-CB 3.49Å; E312-K315 PolarHBondContact O-N 3.37Å; E312-K315 IonicContact OE2-NZ 3.81Å; E312-K315 PolarHBondContact OE2-NZ 3.11Å
313	F	83.6	Confident	86.2	Confident	21 Å²	21	33.1 Å²	33.1	9%	0.092	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137.8	171.8	-72.1	-3	0	0	0	110.1	L59 N297 H305 F308 S309 S310 K315 W521 T525	L59-F313 HydrophobicContact CB-CE2 3.86Å; L59-F313 HydrophobicContact CB-CZ 4.32Å; L59-F313 HydrophobicContact CD2-CD2 3.96Å; L59-F313 HydrophobicContact CD2-CE2 3.8Å; L59-F313 HydrophobicContact CG-CE2 3.99Å; L59-F313 WeakPolarHBondContact O-CE2 3.42Å; N297-F313 HydrophobicContact CB-CE1 3.95Å; N297-F313 HydrophobicContact CB-CZ 3.64Å; H305-F313 HydrophobicContact CB-CE1 4.05Å; H305-F313 HydrophobicContact CB-CZ 4.26Å; H305-F313 AromaticContact CD2-CD1 3.9Å; H305-F313 AromaticContact CD2-CD2 3.91Å; H305-F313 AromaticContact CD2-CE1 3.95Å; H305-F313 AromaticContact CD2-CE2 3.98Å; H305-F313 AromaticContact CD2-CG 3.88Å; F308-F313 HydrophobicContact CB-CD1 4.12Å; F308-F313 HydrophobicContact CB-CE1 4.35Å; F308-F313 VanDerWaalsContact O-CE1 3.29Å; F308-F313 WeakPolarHBondContact O-CE1 3.5Å; S309-F313 WeakPolarHBondContact O-CD1 3.45Å; S309-F313 PolarHBondContact O-N 2.99Å; S310-F313 VanDerWaalsContact O-CB 3.25Å; S310-F313 WeakPolarHBondContact O-CB 3.41Å; S310-F313 VanDerWaalsContact O-CG 3.29Å; S310-F313 WeakPolarHBondContact O-CG 3.32Å; S310-F313 PolarHBondContact O-N 3.3Å; F313-K315 PolarHBondContact O-N 2.77Å; F313-W521 HydrophobicContact CB-CE3 4.43Å; F313-W521 HydrophobicContact CB-CZ3 3.97Å; F313-W521 HydrophobicContact CD2-CE3 4.1Å; F313-W521 AromaticContact CD2-CZ3 3.81Å; F313-W521 HydrophobicContact CD2-CZ3 3.81Å; F313-W521 HydrophobicContact CG-CZ3 4.38Å; F313-T525 WeakPolarHBondContact O-CG2 3.42Å; F313-T525 PolarHBondContact O-OG1 3.49Å
314	G	84.7	Confident	86.7	Confident	19 Å²	19	34.7 Å²	34.7	20%	0.196	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-9.2	-173	0	0	0	0	0	114.5	E312 L316 E317 I318	E312-G314 PolarHBondContact O-N 3.43Å; G314-L316 PolarHBondContact O-N 2.89Å; G314-E317 WeakPolarHBondContact CA-OE2 3.46Å; G314-E317 PolarHBondContact O-N 2.91Å; G314-I318 WeakPolarHBondContact O-CB 3.4Å; G314-I318 WeakPolarHBondContact O-CG1 3.25Å; G314-I318 PolarHBondContact O-N 3.04Å
315	K	85.6	Confident	87.3	Confident	36 Å²	36	33 Å²	33	16%	0.157	17%	0.167	C	C	.	.	H	α-helix	trans	-59.1	-48	-176.8	179.4	-177.3	172.9	-156.5	0	111.4	F308 E312 F313 E317 I318 D319 D371	F308-K315 HydrophobicContact CE1-CD 4.39Å; E312-K315 HydrophobicContact CB-CB 4.29Å; E312-K315 HydrophobicContact CB-CD 4.16Å; E312-K315 WeakPolarHBondContact O-CB 3.49Å; E312-K315 PolarHBondContact O-N 3.37Å; E312-K315 IonicContact OE2-NZ 3.81Å; E312-K315 PolarHBondContact OE2-NZ 3.11Å; F313-K315 PolarHBondContact O-N 2.77Å; K315-E317 PolarHBondContact O-N 3Å; K315-I318 PolarHBondContact O-N 3.4Å; K315-D319 WeakPolarHBondContact O-CB 3.37Å; K315-D319 PolarHBondContact O-N 2.9Å; K315-D371 WeakPolarHBondContact CE-OD1 3.49Å; K315-D371 IonicContact NZ-OD1 2.89Å; K315-D371 PolarHBondContact NZ-OD1 3.45Å; K315-D371 IonicContact NZ-OD2 3.86Å
316	L	88.3	Confident	87.7	Confident	8 Å²	8	30 Å²	30	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-42.9	-179.7	-178	63.4	0	0	0	111.8	L303 F304 F308 G314 D319 L320 L368 D371 V372 A375	L303-L316 HydrophobicContact CD2-CD2 4.1Å; L303-L316 HydrophobicContact CG-CD2 3.97Å; F304-L316 HydrophobicContact CD1-CB 4.43Å; F304-L316 HydrophobicContact CD1-CD2 3.86Å; F304-L316 HydrophobicContact CD1-CG 4.38Å; F304-L316 HydrophobicContact CE1-CD2 3.97Å; F304-L316 HydrophobicContact CE1-CG 4.39Å; F308-L316 HydrophobicContact CE2-CB 4.39Å; F308-L316 HydrophobicContact CZ-CB 4.21Å; G314-L316 PolarHBondContact O-N 2.89Å; L316-D319 PolarHBondContact O-N 3.2Å; L316-L320 WeakPolarHBondContact O-CB 3.35Å; L316-L320 PolarHBondContact O-N 3.05Å; L316-L368 HydrophobicContact CD1-CD1 4.26Å; L316-D371 HydrophobicContact CD1-CB 4.08Å; L316-V372 HydrophobicContact CD1-CG2 3.79Å; L316-A375 HydrophobicContact CD2-CB 3.97Å
317	E	91	Very high	88	Confident	67 Å²	67	30.2 Å²	30.2	31%	0.313	16%	0.159	S	C	.	.	H	α-helix	trans	-63.5	-42.1	178.1	-62.2	93.6	136.7	0	0	111.5	F304 G314 K315 L320 L321	F304-E317 HydrophobicContact CD1-CG 3.71Å; F304-E317 WeakPolarHBondContact CD1-OE1 3.37Å; F304-E317 HydrophobicContact CE1-CG 3.82Å; G314-E317 WeakPolarHBondContact CA-OE2 3.46Å; G314-E317 PolarHBondContact O-N 2.91Å; K315-E317 PolarHBondContact O-N 3Å; E317-L320 PolarHBondContact O-N 2.92Å; E317-L321 WeakPolarHBondContact O-CB 3.46Å; E317-L321 PolarHBondContact O-N 3.42Å
318	I	90.8	Very high	88.4	Confident	25 Å²	25	34.2 Å²	34.2	13%	0.128	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-41.5	176.8	-68.5	-52	0	0	0	111.1	G314 K315 L320 L321 F322 T525 R528 I529	G314-I318 WeakPolarHBondContact O-CB 3.4Å; G314-I318 WeakPolarHBondContact O-CG1 3.25Å; G314-I318 PolarHBondContact O-N 3.04Å; K315-I318 PolarHBondContact O-N 3.4Å; I318-L320 VanDerWaalsContact C-N 3.31Å; I318-L320 PolarHBondContact O-N 2.91Å; I318-L321 HydrophobicContact CD1-CD2 4.46Å; I318-L321 PolarHBondContact O-N 3.31Å; I318-F322 HydrophobicContact CG2-CD2 3.61Å; I318-F322 HydrophobicContact CG2-CE2 3.7Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.48Å; I318-F322 PolarHBondContact O-N 2.84Å; I318-T525 HydrophobicContact CG1-CG2 3.93Å; I318-R528 HydrophobicContact CG2-CG 4.19Å; I318-I529 HydrophobicContact CB-CG1 4.3Å; I318-I529 HydrophobicContact CD1-CD1 3.66Å; I318-I529 HydrophobicContact CD1-CG1 3.55Å; I318-I529 HydrophobicContact CG1-CD1 3.8Å; I318-I529 HydrophobicContact CG1-CG1 3.57Å; I318-I529 HydrophobicContact CG2-CG1 3.73Å
319	D	90.7	Very high	88.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-34	177.1	-78.7	-40.4	0	0	0	112.5	K315 L316 F323 Q364 L368 D371 R528	K315-D319 WeakPolarHBondContact O-CB 3.37Å; K315-D319 PolarHBondContact O-N 2.9Å; L316-D319 PolarHBondContact O-N 3.2Å; D319-F323 VanDerWaalsContact O-CB 3.22Å; D319-F323 WeakPolarHBondContact O-CB 3.27Å; D319-F323 PolarHBondContact O-N 2.9Å; D319-Q364 VanDerWaalsContact CA-NE2 3.26Å; D319-Q364 PolarHBondContact O-NE2 2.89Å; D319-Q364 PolarHBondContact OD1-NE2 2.89Å; D319-L368 HydrophobicContact CB-CD1 4.29Å; D319-D371 VanDerWaalsContact OD2-OD2 3.12Å; D319-R528 IonicContact OD1-CZ 3.46Å; D319-R528 IonicContact OD1-NE 3.96Å; D319-R528 PolarHBondContact OD1-NE 3.45Å; D319-R528 IonicContact OD1-NH2 2.75Å; D319-R528 PolarHBondContact OD1-NH2 2.89Å
320	L	92.2	Very high	89.3	Confident	91 Å²	91	35.5 Å²	35.5	48%	0.476	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-46.6	170.6	-172.9	78.6	0	0	0	111.6	L316 E317 I318 F323 I324	L316-L320 WeakPolarHBondContact O-CB 3.35Å; L316-L320 PolarHBondContact O-N 3.05Å; E317-L320 PolarHBondContact O-N 2.92Å; I318-L320 VanDerWaalsContact C-N 3.31Å; I318-L320 PolarHBondContact O-N 2.91Å; L320-F323 WeakPolarHBondContact O-CB 3.37Å; L320-F323 PolarHBondContact O-N 3.33Å; L320-I324 HydrophobicContact CG-CD1 4.47Å; L320-I324 WeakPolarHBondContact O-CG1 3.1Å; L320-I324 PolarHBondContact O-N 3.3Å; L320-I324 VanDerWaalsContact O-N 3.12Å
321	L	93.6	Very high	89.8	Confident	76 Å²	76	40.4 Å²	40.4	40%	0.398	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-50	179	177.8	67.5	0	0	0	111.2	E317 I318 I324 L325	E317-L321 WeakPolarHBondContact O-CB 3.46Å; E317-L321 PolarHBondContact O-N 3.42Å; I318-L321 HydrophobicContact CD1-CD2 4.46Å; I318-L321 PolarHBondContact O-N 3.31Å; L321-I324 PolarHBondContact O-N 2.94Å; L321-L325 HydrophobicContact CD1-CD1 4.23Å; L321-L325 HydrophobicContact CD1-CG 4.49Å; L321-L325 HydrophobicContact CG-CD1 4.05Å; L321-L325 WeakPolarHBondContact O-CG 3.21Å; L321-L325 PolarHBondContact O-N 2.91Å
322	F	93.5	Very high	90.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72	-28.5	-179.7	-77.9	-68.4	0	0	0	113.1	I318 I324 L325 L326 I529 E532 F533	I318-F322 HydrophobicContact CG2-CD2 3.61Å; I318-F322 HydrophobicContact CG2-CE2 3.7Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.48Å; I318-F322 PolarHBondContact O-N 2.84Å; F322-I324 VanDerWaalsContact C-N 3.33Å; F322-I324 PolarHBondContact O-N 3.38Å; F322-L325 HydrophobicContact CD1-CD1 4.26Å; F322-L325 HydrophobicContact CE1-CD1 4.33Å; F322-L325 PolarHBondContact O-N 3.48Å; F322-L326 WeakPolarHBondContact O-CB 3.25Å; F322-L326 WeakPolarHBondContact O-CG 3.41Å; F322-L326 PolarHBondContact O-N 3.25Å; F322-I529 WeakPolarHBondContact CZ-O 3.14Å; F322-E532 HydrophobicContact CB-CG 4.46Å; F322-E532 HydrophobicContact CD1-CB 3.52Å; F322-E532 HydrophobicContact CD1-CG 4.33Å; F322-E532 HydrophobicContact CD2-CB 3.61Å; F322-E532 HydrophobicContact CD2-CG 3.94Å; F322-E532 HydrophobicContact CE1-CB 3.42Å; F322-E532 VanDerWaalsContact CE1-CB 3.42Å; F322-E532 HydrophobicContact CE2-CB 3.53Å; F322-E532 HydrophobicContact CE2-CG 4.26Å; F322-E532 HydrophobicContact CG-CB 3.61Å; F322-E532 HydrophobicContact CG-CG 3.98Å; F322-E532 HydrophobicContact CZ-CB 3.42Å; F322-E532 VanDerWaalsContact CZ-CB 3.42Å; F322-F533 HydrophobicContact CE1-CD1 4.17Å; F322-F533 HydrophobicContact CE1-CD2 4.43Å; F322-F533 HydrophobicContact CE1-CE1 4.35Å; F322-F533 HydrophobicContact CE1-CG 4.19Å; F322-F533 HydrophobicContact CZ-CB 4.47Å; F322-F533 HydrophobicContact CZ-CD1 4.16Å; F322-F533 AromaticContact CZ-CD2 3.65Å; F322-F533 HydrophobicContact CZ-CD2 3.65Å; F322-F533 HydrophobicContact CZ-CE1 4.28Å; F322-F533 AromaticContact CZ-CE2 3.78Å; F322-F533 HydrophobicContact CZ-CE2 3.78Å; F322-F533 AromaticContact CZ-CG 3.83Å; F322-F533 HydrophobicContact CZ-CG 3.83Å; F322-F533 HydrophobicContact CZ-CZ 4.09Å
323	F	93.1	Very high	91	Very high	59 Å²	59	41.1 Å²	41.1	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-58.8	-45	168.7	175.2	-105.6	0	0	0	111.7	D319 L320 G327 F361 Q364 L365 L368	D319-F323 VanDerWaalsContact O-CB 3.22Å; D319-F323 WeakPolarHBondContact O-CB 3.27Å; D319-F323 PolarHBondContact O-N 2.9Å; L320-F323 WeakPolarHBondContact O-CB 3.37Å; L320-F323 PolarHBondContact O-N 3.33Å; F323-G327 WeakPolarHBondContact O-CA 3.38Å; F323-G327 PolarHBondContact O-N 2.75Å; F323-F361 HydrophobicContact CD2-CE2 4.06Å; F323-F361 AromaticContact CE2-CE2 3.72Å; F323-F361 HydrophobicContact CE2-CE2 3.72Å; F323-F361 AromaticContact CE2-CZ 3.88Å; F323-F361 HydrophobicContact CE2-CZ 3.88Å; F323-F361 HydrophobicContact CZ-CE2 4.49Å; F323-F361 HydrophobicContact CZ-CZ 4.47Å; F323-Q364 HydrophobicContact CB-CG 4.04Å; F323-L365 HydrophobicContact CE2-CB 4.42Å; F323-L365 HydrophobicContact CE2-CD1 3.76Å; F323-L365 HydrophobicContact CZ-CD1 4.24Å; F323-L368 HydrophobicContact CB-CD2 3.89Å; F323-L368 HydrophobicContact CD1-CD2 3.86Å; F323-L368 HydrophobicContact CD2-CD2 4.12Å; F323-L368 HydrophobicContact CE1-CD2 4.44Å; F323-L368 HydrophobicContact CG-CD2 3.68Å
324	I	94.3	Very high	91.2	Very high	93 Å²	93	42.4 Å²	42.4	48%	0.477	23%	0.227	S	C	.	.	H	α-helix	trans	-65.5	-50.1	177.1	-63.9	166.5	0	0	0	110.7	L320 L321 F322 G327 L328	L320-I324 HydrophobicContact CG-CD1 4.47Å; L320-I324 WeakPolarHBondContact O-CG1 3.1Å; L320-I324 PolarHBondContact O-N 3.3Å; L320-I324 VanDerWaalsContact O-N 3.12Å; L321-I324 PolarHBondContact O-N 2.94Å; F322-I324 VanDerWaalsContact C-N 3.33Å; F322-I324 PolarHBondContact O-N 3.38Å; I324-G327 PolarHBondContact O-N 2.95Å; I324-L328 HydrophobicContact CG2-CD1 4.28Å; I324-L328 WeakPolarHBondContact O-CG 3.21Å; I324-L328 PolarHBondContact O-N 3.33Å
325	L	95.2	Very high	91.3	Very high	46 Å²	46	46.8 Å²	46.8	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-48.8	-177.9	-69.3	174.8	0	0	0	112.3	L321 F322 G327 L328 L329 F536	L321-L325 HydrophobicContact CD1-CD1 4.23Å; L321-L325 HydrophobicContact CD1-CG 4.49Å; L321-L325 HydrophobicContact CG-CD1 4.05Å; L321-L325 WeakPolarHBondContact O-CG 3.21Å; L321-L325 PolarHBondContact O-N 2.91Å; F322-L325 HydrophobicContact CD1-CD1 4.26Å; F322-L325 HydrophobicContact CE1-CD1 4.33Å; F322-L325 PolarHBondContact O-N 3.48Å; L325-G327 VanDerWaalsContact C-N 3.33Å; L325-L328 PolarHBondContact O-N 3.49Å; L325-L329 PolarHBondContact O-N 3.31Å; L325-F536 HydrophobicContact CB-CD2 4.36Å; L325-F536 HydrophobicContact CB-CE2 3.92Å; L325-F536 HydrophobicContact CB-CZ 4.25Å; L325-F536 HydrophobicContact CD2-CZ 4.48Å; L325-F536 WeakPolarHBondContact O-CE2 3.49Å
326	L	93.8	Very high	91.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-34.2	176.5	-72	168.2	0	0	0	111.6	F322 L329 F330 R360 F361 Q364 F536 F539	F322-L326 WeakPolarHBondContact O-CB 3.25Å; F322-L326 WeakPolarHBondContact O-CG 3.41Å; F322-L326 PolarHBondContact O-N 3.25Å; L326-L329 PolarHBondContact O-N 3.09Å; L326-F330 WeakPolarHBondContact O-CB 3.34Å; L326-F330 PolarHBondContact O-N 3.42Å; L326-R360 HydrophobicContact CD1-CG 4.09Å; L326-R360 HydrophobicContact CD2-CG 4.49Å; L326-F361 HydrophobicContact CB-CD2 4.46Å; L326-Q364 HydrophobicContact CD1-CB 4.29Å; L326-Q364 HydrophobicContact CD1-CG 4.3Å; L326-F536 HydrophobicContact CD2-CD2 4.16Å; L326-F539 HydrophobicContact CD2-CD2 4.27Å; L326-F539 HydrophobicContact CD2-CE2 4.29Å
327	G	91.6	Very high	91.2	Very high	21 Å²	21	47.8 Å²	47.8	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-44.4	174.3	0	0	0	0	0	112.6	F323 I324 L325 F330 L331	F323-G327 WeakPolarHBondContact O-CA 3.38Å; F323-G327 PolarHBondContact O-N 2.75Å; I324-G327 PolarHBondContact O-N 2.95Å; L325-G327 VanDerWaalsContact C-N 3.33Å; G327-F330 PolarHBondContact O-N 3.05Å; G327-L331 WeakPolarHBondContact O-CB 3.21Å; G327-L331 PolarHBondContact O-N 3.38Å
328	L	94.1	Very high	90.7	Very high	105 Å²	105	50.9 Å²	50.9	55%	0.55	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-45.3	173.4	-71.2	171.2	0	0	0	111.6	I324 L325 L331 V332	I324-L328 HydrophobicContact CG2-CD1 4.28Å; I324-L328 WeakPolarHBondContact O-CG 3.21Å; I324-L328 PolarHBondContact O-N 3.33Å; L325-L328 PolarHBondContact O-N 3.49Å; L328-L331 WeakPolarHBondContact O-CB 3.37Å; L328-L331 PolarHBondContact O-N 3.27Å; L328-V332 WeakPolarHBondContact O-CG2 3.42Å; L328-V332 PolarHBondContact O-N 3.5Å
329	L	93.7	Very high	90.4	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-40.8	177.7	-178	63	0	0	0	112.1	L325 L326 V332 A333 F536 F539 I540 M543	L325-L329 PolarHBondContact O-N 3.31Å; L326-L329 PolarHBondContact O-N 3.09Å; L329-V332 PolarHBondContact O-N 2.79Å; L329-A333 WeakPolarHBondContact O-CB 3.27Å; L329-A333 PolarHBondContact O-N 3.02Å; L329-F536 HydrophobicContact CB-CE2 3.98Å; L329-F536 HydrophobicContact CD2-CD2 3.88Å; L329-F536 HydrophobicContact CD2-CE2 3.97Å; L329-F539 HydrophobicContact CD2-CB 3.61Å; L329-F539 HydrophobicContact CD2-CD2 4.12Å; L329-F539 HydrophobicContact CD2-CG 4.34Å; L329-I540 HydrophobicContact CD1-CG1 4.02Å; L329-I540 HydrophobicContact CD2-CG1 4.42Å; L329-M543 HydrophobicContact CD1-SD 4.4Å
330	F	91.9	Very high	90	Very high	20 Å²	20	58.8 Å²	58.8	9%	0.088	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-41.9	175.9	178.1	-109.7	0	0	0	111.1	F21 L326 G327 A333 N334 Y354 I357 S358 F361	F21-F330 AromaticContact CE2-CE1 3.81Å; F21-F330 HydrophobicContact CE2-CE1 3.81Å; F21-F330 AromaticContact CE2-CZ 3.89Å; F21-F330 HydrophobicContact CE2-CZ 3.89Å; F21-F330 HydrophobicContact CZ-CE1 4.5Å; L326-F330 WeakPolarHBondContact O-CB 3.34Å; L326-F330 PolarHBondContact O-N 3.42Å; G327-F330 PolarHBondContact O-N 3.05Å; F330-A333 PolarHBondContact O-N 3.23Å; F330-N334 WeakPolarHBondContact CD1-ND2 3.29Å; F330-N334 WeakPolarHBondContact CE1-ND2 3.41Å; F330-N334 VanDerWaalsContact CE2-ND2 3.31Å; F330-N334 WeakPolarHBondContact CE2-ND2 3.29Å; F330-N334 WeakPolarHBondContact CZ-ND2 3.25Å; F330-N334 PolarHBondContact O-N 3.47Å; F330-N334 PolarHBondContact O-ND2 2.82Å; F330-Y354 HydrophobicContact CE2-CE2 4.31Å; F330-I357 HydrophobicContact CB-CG2 4.22Å; F330-I357 HydrophobicContact CD2-CG2 4.09Å; F330-S358 WeakPolarHBondContact CE2-OG 3.23Å; F330-F361 HydrophobicContact CB-CB 4.39Å; F330-F361 HydrophobicContact CB-CD2 4.4Å; F330-F361 HydrophobicContact CB-CG 4.23Å; F330-F361 AromaticContact CD1-CD1 3.83Å; F330-F361 HydrophobicContact CD1-CD1 3.83Å; F330-F361 HydrophobicContact CD1-CE1 4.04Å; F330-F361 HydrophobicContact CD1-CG 4.21Å; F330-F361 HydrophobicContact CD2-CB 4.4Å; F330-F361 HydrophobicContact CE1-CD1 4.05Å; F330-F361 HydrophobicContact CE1-CE1 4.22Å; F330-F361 HydrophobicContact CG-CB 4.3Å; F330-F361 HydrophobicContact CG-CD1 4.13Å; F330-F361 HydrophobicContact CG-CG 4.11Å
331	L	89.8	Confident	89.4	Confident	103 Å²	103	56.7 Å²	56.7	54%	0.539	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-47.7	173.7	-176.1	70.3	0	0	0	111.4	G327 L328 A333 N334 L335	G327-L331 WeakPolarHBondContact O-CB 3.21Å; G327-L331 PolarHBondContact O-N 3.38Å; L328-L331 WeakPolarHBondContact O-CB 3.37Å; L328-L331 PolarHBondContact O-N 3.27Å; L331-A333 VanDerWaalsContact C-N 3.35Å; L331-A333 PolarHBondContact O-N 3.46Å; L331-N334 WeakPolarHBondContact O-CB 2.87Å; L331-N334 PolarHBondContact O-N 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.01Å; L331-L335 PolarHBondContact O-N 3.12Å
332	V	91	Very high	88.8	Confident	59 Å²	59	62.8 Å²	62.8	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-43.2	176.1	173.7	0	0	0	0	111.4	L328 L329 N334 L335 L336 M543	L328-V332 WeakPolarHBondContact O-CG2 3.42Å; L328-V332 PolarHBondContact O-N 3.5Å; L329-V332 PolarHBondContact O-N 2.79Å; V332-N334 VanDerWaalsContact C-N 3.34Å; V332-N334 PolarHBondContact O-N 3.45Å; V332-L335 PolarHBondContact O-N 3.31Å; V332-L336 HydrophobicContact CG1-CD1 4.14Å; V332-L336 WeakPolarHBondContact O-CG 3.33Å; V332-L336 PolarHBondContact O-N 2.99Å; V332-M543 HydrophobicContact CG1-CE 3.92Å; V332-M543 HydrophobicContact CG1-SD 3.89Å
333	A	88.7	Confident	88.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-39.1	177.4	0	0	0	0	0	112.1	L329 F330 L331 L336 L337 W353 Y354 I357	L329-A333 WeakPolarHBondContact O-CB 3.27Å; L329-A333 PolarHBondContact O-N 3.02Å; F330-A333 PolarHBondContact O-N 3.23Å; L331-A333 VanDerWaalsContact C-N 3.35Å; L331-A333 PolarHBondContact O-N 3.46Å; A333-L336 PolarHBondContact O-N 3.14Å; A333-L337 VanDerWaalsContact O-CB 3.3Å; A333-L337 WeakPolarHBondContact O-CB 3.4Å; A333-L337 PolarHBondContact O-N 3.43Å; A333-W353 HydrophobicContact CB-CH2 3.75Å; A333-W353 HydrophobicContact CB-CZ3 4.17Å; A333-Y354 HydrophobicContact CB-CD2 4.24Å; A333-I357 HydrophobicContact CB-CD1 4.19Å
334	N	87.4	Confident	87.3	Confident	47 Å²	47	70.2 Å²	70.2	25%	0.251	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-44.3	173.4	-84.9	-79.2	0	0	0	112.2	F330 L331 V332 L336 L337 F338 Y354	F330-N334 WeakPolarHBondContact CD1-ND2 3.29Å; F330-N334 WeakPolarHBondContact CE1-ND2 3.41Å; F330-N334 VanDerWaalsContact CE2-ND2 3.31Å; F330-N334 WeakPolarHBondContact CE2-ND2 3.29Å; F330-N334 WeakPolarHBondContact CZ-ND2 3.25Å; F330-N334 PolarHBondContact O-N 3.47Å; F330-N334 PolarHBondContact O-ND2 2.82Å; L331-N334 WeakPolarHBondContact O-CB 2.87Å; L331-N334 PolarHBondContact O-N 3.25Å; V332-N334 VanDerWaalsContact C-N 3.34Å; V332-N334 PolarHBondContact O-N 3.45Å; N334-L336 PolarHBondContact O-N 2.89Å; N334-L337 PolarHBondContact O-N 3.49Å; N334-F338 WeakPolarHBondContact O-CB 3.04Å; N334-F338 PolarHBondContact O-N 2.97Å; N334-Y354 PolarHBondContact OD1-OH 3.3Å
335	L	87.1	Confident	86.3	Confident	112 Å²	112	68.7 Å²	68.7	59%	0.586	34%	0.339	S	S	*	.	H	α-helix	trans	-62.4	-42.4	176.9	-67.2	173.8	0	0	0	111.7	L331 V332 F338 R339	L331-L335 WeakPolarHBondContact O-CG 3.01Å; L331-L335 PolarHBondContact O-N 3.12Å; V332-L335 PolarHBondContact O-N 3.31Å; L335-F338 PolarHBondContact O-N 3.32Å; L335-R339 WeakPolarHBondContact O-CB 3.49Å; L335-R339 PolarHBondContact O-N 3.43Å
336	L	85.7	Confident	85.4	Confident	55 Å²	55	68.6 Å²	68.6	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-45	175.4	-71.4	172.2	0	0	0	111.9	V332 A333 N334 F338 R339 L340 M543	V332-L336 HydrophobicContact CG1-CD1 4.14Å; V332-L336 WeakPolarHBondContact O-CG 3.33Å; V332-L336 PolarHBondContact O-N 2.99Å; A333-L336 PolarHBondContact O-N 3.14Å; N334-L336 PolarHBondContact O-N 2.89Å; L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 PolarHBondContact O-N 3.49Å; L336-R339 PolarHBondContact O-N 3.24Å; L336-L340 WeakPolarHBondContact O-CB 3.45Å; L336-L340 WeakPolarHBondContact O-CG 3.25Å; L336-L340 PolarHBondContact O-N 2.98Å; L336-M543 HydrophobicContact CD1-CE 3.75Å; L336-M543 HydrophobicContact CD1-CG 3.56Å; L336-M543 HydrophobicContact CD1-SD 3.43Å; L336-M543 WeakPolarHBondContact CD1-SD 3.43Å
337	L	85.3	Confident	84.6	Confident	9 Å²	9	71 Å²	71	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-45.6	176.9	-173.6	75.5	0	0	0	110.8	F13 A333 N334 R339 L340 Y341 L346 V350 Y354	F13-L337 HydrophobicContact CE1-CD2 4.38Å; F13-L337 HydrophobicContact CZ-CD2 4.39Å; A333-L337 VanDerWaalsContact O-CB 3.3Å; A333-L337 WeakPolarHBondContact O-CB 3.4Å; A333-L337 PolarHBondContact O-N 3.43Å; N334-L337 PolarHBondContact O-N 3.49Å; L337-R339 VanDerWaalsContact C-N 3.35Å; L337-R339 PolarHBondContact O-N 3.4Å; L337-L340 PolarHBondContact O-N 2.96Å; L337-Y341 WeakPolarHBondContact O-CB 3.47Å; L337-Y341 PolarHBondContact O-N 3.14Å; L337-L346 HydrophobicContact CD1-CD1 3.41Å; L337-L346 VanDerWaalsContact CD1-CD1 3.41Å; L337-V350 HydrophobicContact CD1-CG1 4.46Å; L337-Y354 HydrophobicContact CB-CD2 4.2Å; L337-Y354 HydrophobicContact CB-CE2 4.35Å; L337-Y354 HydrophobicContact CD1-CD2 4.48Å; L337-Y354 HydrophobicContact CD1-CG 4.24Å; L337-Y354 HydrophobicContact CD2-CD1 3.85Å; L337-Y354 HydrophobicContact CD2-CD2 3.87Å; L337-Y354 HydrophobicContact CD2-CE1 3.72Å; L337-Y354 HydrophobicContact CD2-CE2 3.72Å; L337-Y354 HydrophobicContact CD2-CG 3.93Å; L337-Y354 HydrophobicContact CG-CD2 4.42Å
338	F	82.2	Confident	84.1	Confident	133 Å²	133	73.4 Å²	73.4	58%	0.583	36%	0.361	S	S	*	.	H	α-helix	trans	-60.7	-43.1	177.1	-179.2	-102.2	0	0	0	112	N334 L335 L336 Y341 R342	N334-F338 WeakPolarHBondContact O-CB 3.04Å; N334-F338 PolarHBondContact O-N 2.97Å; L335-F338 PolarHBondContact O-N 3.32Å; L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 PolarHBondContact O-N 3.49Å; F338-Y341 PolarHBondContact O-N 2.92Å; F338-R342 WeakPolarHBondContact O-CB 3.46Å; F338-R342 PolarHBondContact O-N 3.4Å
339	R	84.5	Confident	83.6	Confident	163 Å²	163	68.5 Å²	68.5	62%	0.615	34%	0.335	S	S	*	.	H	α-helix	trans	-64.9	-44.6	176.7	-174.6	175.2	178.4	168.7	-1.4	112.3	L335 L336 L337 R342 S343	L335-R339 WeakPolarHBondContact O-CB 3.49Å; L335-R339 PolarHBondContact O-N 3.43Å; L336-R339 PolarHBondContact O-N 3.24Å; L337-R339 VanDerWaalsContact C-N 3.35Å; L337-R339 PolarHBondContact O-N 3.4Å; R339-R342 PolarHBondContact O-N 2.89Å; R339-S343 WeakPolarHBondContact O-CB 3.44Å; R339-S343 PolarHBondContact O-N 3.27Å; R339-S343 VanDerWaalsContact O-N 3.13Å; R339-S343 PolarHBondContact O-OG 2.94Å
340	L	81	Confident	83.2	Confident	27 Å²	27	68.2 Å²	68.2	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-66.8	-38.9	178	-73.2	170.9	0	0	0	111.9	L336 L337 S343 N344 L345 V350	L336-L340 WeakPolarHBondContact O-CB 3.45Å; L336-L340 WeakPolarHBondContact O-CG 3.25Å; L336-L340 PolarHBondContact O-N 2.98Å; L337-L340 PolarHBondContact O-N 2.96Å; L340-S343 CarbonylContact O-C 3.58Å; L340-S343 PolarHBondContact O-N 2.96Å; L340-N344 PolarHBondContact O-N 3.18Å; L340-L345 HydrophobicContact CD2-CB 4.05Å; L340-L345 PolarHBondContact O-N 3.44Å; L340-V350 HydrophobicContact CD1-CG1 3.85Å; L340-V350 HydrophobicContact CD1-CG2 4.39Å
341	Y	79	Confident	83	Confident	47 Å²	47	69.9 Å²	69.9	18%	0.184	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-48.8	173.9	176	-101.1	0	0	0	111.5	S10 R14 L337 F338 S343 N344	S10-Y341 WeakPolarHBondContact CA-OH 3.11Å; S10-Y341 VanDerWaalsContact CB-OH 3.23Å; S10-Y341 WeakPolarHBondContact CB-OH 3.47Å; S10-Y341 PolarHBondContact O-OH 3.35Å; S10-Y341 PolarHBondContact OG-OH 2.71Å; R14-Y341 VanDerWaalsContact CZ-OH 3.23Å; R14-Y341 PolarHBondContact NE-OH 2.79Å; R14-Y341 VanDerWaalsContact NE-OH 3.16Å; R14-Y341 PolarHBondContact NH2-OH 3.23Å; L337-Y341 WeakPolarHBondContact O-CB 3.47Å; L337-Y341 PolarHBondContact O-N 3.14Å; F338-Y341 PolarHBondContact O-N 2.92Å; Y341-S343 PolarHBondContact O-N 3.45Å; Y341-N344 PolarHBondContact O-N 3.46Å; Y341-N344 VanDerWaalsContact O-N 3.14Å
342	R	82.3	Confident	83	Confident	204 Å²	204	67.5 Å²	67.5	77%	0.77	33%	0.331	S	S	*	.	H	α-helix	trans	-60.7	-27.8	176.3	-174	176	177	176.2	-0.2	112.7	F338 R339	F338-R342 WeakPolarHBondContact O-CB 3.46Å; F338-R342 PolarHBondContact O-N 3.4Å; R339-R342 PolarHBondContact O-N 2.89Å
343	S	79.9	Confident	82.9	Confident	64 Å²	64	65 Å²	65	45%	0.448	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	2	-178.4	-48.7	0	0	0	0	113.7	R339 L340 Y341 L345	R339-S343 WeakPolarHBondContact O-CB 3.44Å; R339-S343 PolarHBondContact O-N 3.27Å; R339-S343 VanDerWaalsContact O-N 3.13Å; R339-S343 PolarHBondContact O-OG 2.94Å; L340-S343 CarbonylContact O-C 3.58Å; L340-S343 PolarHBondContact O-N 2.96Å; Y341-S343 PolarHBondContact O-N 3.45Å; S343-L345 PolarHBondContact O-N 3.4Å
344	N	75.2	Confident	83	Confident	151 Å²	151	65.4 Å²	65.4	81%	0.807	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	25.4	-173	-70.1	-34.5	0	0	0	114.9	L340 Y341	L340-N344 PolarHBondContact O-N 3.18Å; Y341-N344 PolarHBondContact O-N 3.46Å; Y341-N344 VanDerWaalsContact O-N 3.14Å
345	L	72.9	Confident	83.2	Confident	62 Å²	62	65.1 Å²	65.1	33%	0.325	32%	0.318	S	S	.	.			trans	-105.3	26.1	-178.8	-67.3	169.6	0	0	0	112.4	L340 S343 H347	L340-L345 HydrophobicContact CD2-CB 4.05Å; L340-L345 PolarHBondContact O-N 3.44Å; S343-L345 PolarHBondContact O-N 3.4Å; L345-H347 PolarHBondContact O-CD2 3.47Å; L345-H347 PolarHBondContact O-N 3.45Å; L345-H347 VanDerWaalsContact O-N 3.12Å
346	L	76.4	Confident	83.6	Confident	44 Å²	44	59.8 Å²	59.8	23%	0.23	29%	0.29	C	S	.	.			trans	-80.8	95.4	-177.9	-172.9	67	0	0	0	111	F13 L337 V350 I351	F13-L346 HydrophobicContact CE1-CD2 4.37Å; F13-L346 HydrophobicContact CZ-CD2 4.31Å; L337-L346 HydrophobicContact CD1-CD1 3.41Å; L337-L346 VanDerWaalsContact CD1-CD1 3.41Å; L346-V350 HydrophobicContact CD1-CB 4.38Å; L346-V350 HydrophobicContact CD1-CG1 4.14Å; L346-I351 HydrophobicContact CD1-CG1 3.94Å; L346-I351 HydrophobicContact CD2-CD1 3.91Å; L346-I351 HydrophobicContact CD2-CG1 3.97Å; L346-I351 HydrophobicContact CG-CD1 3.97Å; L346-I351 HydrophobicContact CG-CG1 3.81Å
347	H	78	Confident	83.9	Confident	52 Å²	52	57.2 Å²	57.2	24%	0.241	28%	0.277	C	S	.	.			trans	-82.2	150.5	176	-66.1	-67.3	0	0	0	112.7	L345 T349 V350 I351 T411 Y557	L345-H347 PolarHBondContact O-CD2 3.47Å; L345-H347 PolarHBondContact O-N 3.45Å; L345-H347 VanDerWaalsContact O-N 3.12Å; H347-T349 PolarHBondContact O-N 2.89Å; H347-T349 VanDerWaalsContact O-N 3.15Å; H347-V350 HydrophobicContact CB-CG2 4.44Å; H347-V350 WeakPolarHBondContact O-CB 3.23Å; H347-V350 PolarHBondContact O-N 3.27Å; H347-I351 PolarHBondContact O-N 3.48Å; H347-T411 HydrophobicContact CB-CG2 4.36Å; H347-Y557 AromaticContact CE1-CE1 3.98Å; H347-Y557 AromaticContact NE2-CE1 3.3Å; H347-Y557 VanDerWaalsContact NE2-CE1 3.3Å; H347-Y557 WeakPolarHBondContact NE2-CE1 3.45Å; H347-Y557 AromaticContact NE2-CZ 3.79Å; H347-Y557 PolarHBondContact NE2-OH 2.86Å
348	P	80.3	Confident	84.2	Confident	70 Å²	70	58.1 Å²	58.1	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-53.9	-34.2	175.7	-26.6	34.5	0	0	0	114	V350 I351 L352 F410	P348-V350 VanDerWaalsContact C-N 3.35Å; P348-V350 PolarHBondContact O-N 3.41Å; P348-I351 WeakPolarHBondContact O-CB 3.46Å; P348-I351 PolarHBondContact O-N 3.49Å; P348-L352 PolarHBondContact O-N 3.15Å; P348-F410 HydrophobicContact CB-CE1 4.3Å; P348-F410 HydrophobicContact CG-CE1 4.29Å
349	T	84.3	Confident	84.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-39.9	177.1	-41	0	0	0	0	112.2	H347 I351 L352 W353 V405 L406 L546	H347-T349 PolarHBondContact O-N 2.89Å; H347-T349 VanDerWaalsContact O-N 3.15Å; T349-I351 VanDerWaalsContact C-N 3.32Å; T349-L352 PolarHBondContact O-N 3.48Å; T349-W353 PolarHBondContact O-N 2.67Å; T349-W353 VanDerWaalsContact O-N 3.09Å; T349-V405 HydrophobicContact CG2-CG1 4.47Å; T349-L406 HydrophobicContact CG2-CB 4.45Å; T349-L406 HydrophobicContact CG2-CD1 4.32Å; T349-L546 HydrophobicContact CG2-CD2 3.94Å
350	V	85.4	Confident	85.3	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-37.4	176.1	179.2	0	0	0	0	110.4	L337 L340 L346 H347 P348 W353 Y354 L546	L337-V350 HydrophobicContact CD1-CG1 4.46Å; L340-V350 HydrophobicContact CD1-CG1 3.85Å; L340-V350 HydrophobicContact CD1-CG2 4.39Å; L346-V350 HydrophobicContact CD1-CB 4.38Å; L346-V350 HydrophobicContact CD1-CG1 4.14Å; H347-V350 HydrophobicContact CB-CG2 4.44Å; H347-V350 WeakPolarHBondContact O-CB 3.23Å; H347-V350 PolarHBondContact O-N 3.27Å; P348-V350 VanDerWaalsContact C-N 3.35Å; P348-V350 PolarHBondContact O-N 3.41Å; V350-W353 HydrophobicContact CG1-CE3 4.39Å; V350-W353 PolarHBondContact O-N 2.99Å; V350-Y354 VanDerWaalsContact O-CB 3.27Å; V350-Y354 WeakPolarHBondContact O-CB 3.44Å; V350-Y354 PolarHBondContact O-N 3.37Å; V350-L546 HydrophobicContact CG2-CB 4.5Å; V350-L546 HydrophobicContact CG2-CD1 4.46Å; V350-L546 HydrophobicContact CG2-CD2 4.23Å
351	I	87.4	Confident	85.9	Confident	55 Å²	55	46.4 Å²	46.4	28%	0.282	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-45.8	176	-61	173.2	0	0	0	110.4	L346 H347 P348 T349 W353 Y354 S355	L346-I351 HydrophobicContact CD1-CG1 3.94Å; L346-I351 HydrophobicContact CD2-CD1 3.91Å; L346-I351 HydrophobicContact CD2-CG1 3.97Å; L346-I351 HydrophobicContact CG-CD1 3.97Å; L346-I351 HydrophobicContact CG-CG1 3.81Å; H347-I351 PolarHBondContact O-N 3.48Å; P348-I351 WeakPolarHBondContact O-CB 3.46Å; P348-I351 PolarHBondContact O-N 3.49Å; T349-I351 VanDerWaalsContact C-N 3.32Å; I351-W353 PolarHBondContact O-N 2.93Å; I351-Y354 PolarHBondContact O-N 2.97Å; I351-S355 WeakPolarHBondContact O-CB 3.49Å; I351-S355 PolarHBondContact O-N 3.34Å; I351-S355 PolarHBondContact O-OG 3.48Å
352	L	88.3	Confident	86.5	Confident	53 Å²	53	45 Å²	45	28%	0.277	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-45.2	177.5	-74	172.7	0	0	0	112.3	P348 T349 S355 S356 V405	P348-L352 PolarHBondContact O-N 3.15Å; T349-L352 PolarHBondContact O-N 3.48Å; L352-S355 PolarHBondContact O-N 3.04Å; L352-S356 PolarHBondContact O-N 3.1Å; L352-V405 HydrophobicContact CD1-CG2 4.21Å
353	W	90.6	Very high	87	Confident	7 Å²	7	35.3 Å²	35.3	3%	0.027	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-47.8	176.1	168.9	76.3	0	0	0	112	A333 T349 V350 I351 S355 S356 I357 F539 M542 M543 L546	A333-W353 HydrophobicContact CB-CH2 3.75Å; A333-W353 HydrophobicContact CB-CZ3 4.17Å; T349-W353 PolarHBondContact O-N 2.67Å; T349-W353 VanDerWaalsContact O-N 3.09Å; V350-W353 HydrophobicContact CG1-CE3 4.39Å; V350-W353 PolarHBondContact O-N 2.99Å; I351-W353 PolarHBondContact O-N 2.93Å; W353-S355 PolarHBondContact O-N 3.48Å; W353-S356 WeakPolarHBondContact O-CB 3.32Å; W353-S356 PolarHBondContact O-N 2.89Å; W353-I357 HydrophobicContact CD2-CD1 4.02Å; W353-I357 HydrophobicContact CH2-CD1 3.88Å; W353-I357 HydrophobicContact CZ2-CD1 3.22Å; W353-I357 HydrophobicContact CZ3-CD1 4.5Å; W353-I357 PolarHBondContact O-N 3.44Å; W353-I357 VanDerWaalsContact O-N 3.12Å; W353-F539 PolarHBondContact NE1-O 3.04Å; W353-F539 VanDerWaalsContact NE1-O 3.14Å; W353-M542 VanDerWaalsContact CD1-CB 3.43Å; W353-M542 HydrophobicContact CG-CB 4.38Å; W353-M543 HydrophobicContact CH2-CB 4.09Å; W353-M543 HydrophobicContact CH2-CG 3.72Å; W353-M543 HydrophobicContact CH2-SD 4.27Å; W353-M543 HydrophobicContact CZ2-CB 3.55Å; W353-M543 HydrophobicContact CZ2-CG 3.71Å; W353-M543 HydrophobicContact CZ2-SD 4.35Å; W353-L546 HydrophobicContact CB-CD1 3.75Å; W353-L546 HydrophobicContact CD2-CD1 3.92Å; W353-L546 HydrophobicContact CE3-CD1 4.22Å; W353-L546 HydrophobicContact CG-CD1 3.73Å
354	Y	90.9	Very high	87.6	Confident	8 Å²	8	32.2 Å²	32.2	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-41.9	178.3	174.8	-91.7	0	0	0	112.2	L17 F330 A333 N334 L337 V350 I351 S356 I357 S358	L17-Y354 HydrophobicContact CD1-CE1 3.71Å; F330-Y354 HydrophobicContact CE2-CE2 4.31Å; A333-Y354 HydrophobicContact CB-CD2 4.24Å; N334-Y354 PolarHBondContact OD1-OH 3.3Å; L337-Y354 HydrophobicContact CB-CD2 4.2Å; L337-Y354 HydrophobicContact CB-CE2 4.35Å; L337-Y354 HydrophobicContact CD1-CD2 4.48Å; L337-Y354 HydrophobicContact CD1-CG 4.24Å; L337-Y354 HydrophobicContact CD2-CD1 3.85Å; L337-Y354 HydrophobicContact CD2-CD2 3.87Å; L337-Y354 HydrophobicContact CD2-CE1 3.72Å; L337-Y354 HydrophobicContact CD2-CE2 3.72Å; L337-Y354 HydrophobicContact CD2-CG 3.93Å; L337-Y354 HydrophobicContact CG-CD2 4.42Å; V350-Y354 VanDerWaalsContact O-CB 3.27Å; V350-Y354 WeakPolarHBondContact O-CB 3.44Å; V350-Y354 PolarHBondContact O-N 3.37Å; I351-Y354 PolarHBondContact O-N 2.97Å; Y354-S356 VanDerWaalsContact C-N 3.29Å; Y354-S356 PolarHBondContact O-N 3.09Å; Y354-I357 PolarHBondContact O-N 2.78Å; Y354-S358 WeakPolarHBondContact CE1-OG 3.47Å; Y354-S358 VanDerWaalsContact CZ-OG 3.31Å; Y354-S358 WeakPolarHBondContact O-CB 3.38Å; Y354-S358 PolarHBondContact O-N 2.79Å; Y354-S358 PolarHBondContact O-OG 3.08Å
355	S	90.7	Very high	88.4	Confident	41 Å²	41	27.2 Å²	27.2	29%	0.287	15%	0.149	S	C	.	.	H	α-helix	trans	-59	-41.6	174	-68.1	0	0	0	0	111.2	I351 L352 W353 S358 L359	I351-S355 WeakPolarHBondContact O-CB 3.49Å; I351-S355 PolarHBondContact O-N 3.34Å; I351-S355 PolarHBondContact O-OG 3.48Å; L352-S355 PolarHBondContact O-N 3.04Å; W353-S355 PolarHBondContact O-N 3.48Å; S355-S358 PolarHBondContact O-N 2.86Å; S355-L359 WeakPolarHBondContact O-CB 3.49Å; S355-L359 WeakPolarHBondContact O-CD1 3.26Å; S355-L359 WeakPolarHBondContact O-CG 3.22Å; S355-L359 PolarHBondContact O-N 3.3Å
356	S	94.7	Very high	89.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-47.2	176.8	-177.9	0	0	0	0	112.5	L352 W353 Y354 L359 R360 S395 F399 F539	L352-S356 PolarHBondContact O-N 3.1Å; W353-S356 WeakPolarHBondContact O-CB 3.32Å; W353-S356 PolarHBondContact O-N 2.89Å; Y354-S356 VanDerWaalsContact C-N 3.29Å; Y354-S356 PolarHBondContact O-N 3.09Å; S356-L359 PolarHBondContact O-N 2.82Å; S356-R360 PolarHBondContact O-N 2.89Å; S356-S395 WeakPolarHBondContact O-CB 3.16Å; S356-S395 PolarHBondContact O-OG 2.96Å; S356-S395 PolarHBondContact OG-O 3.44Å; S356-S395 PolarHBondContact OG-OG 3.23Å; S356-F399 WeakPolarHBondContact OG-CB 3.43Å; S356-F539 VanDerWaalsContact OG-CE1 3.28Å; S356-F539 WeakPolarHBondContact OG-CE1 3.44Å
357	I	93.6	Very high	90	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-43.6	176.8	-63.8	175.8	0	0	0	110.9	F330 A333 W353 Y354 L359 R360 F361 F539	F330-I357 HydrophobicContact CB-CG2 4.22Å; F330-I357 HydrophobicContact CD2-CG2 4.09Å; A333-I357 HydrophobicContact CB-CD1 4.19Å; W353-I357 HydrophobicContact CD2-CD1 4.02Å; W353-I357 HydrophobicContact CH2-CD1 3.88Å; W353-I357 HydrophobicContact CZ2-CD1 3.22Å; W353-I357 HydrophobicContact CZ3-CD1 4.5Å; W353-I357 PolarHBondContact O-N 3.44Å; W353-I357 VanDerWaalsContact O-N 3.12Å; Y354-I357 PolarHBondContact O-N 2.78Å; I357-L359 PolarHBondContact O-N 3.45Å; I357-R360 PolarHBondContact O-N 3.06Å; I357-F361 WeakPolarHBondContact O-CB 3.46Å; I357-F361 PolarHBondContact O-N 2.68Å; I357-F539 HydrophobicContact CD1-CB 4.02Å; I357-F539 HydrophobicContact CD1-CD1 4.38Å; I357-F539 HydrophobicContact CD1-CG 4.15Å; I357-F539 HydrophobicContact CG1-CB 4.12Å; I357-F539 HydrophobicContact CG1-CD1 3.71Å; I357-F539 HydrophobicContact CG1-CD2 3.98Å; I357-F539 HydrophobicContact CG1-CE1 4.07Å; I357-F539 HydrophobicContact CG1-CE2 4.31Å; I357-F539 HydrophobicContact CG1-CG 3.68Å; I357-F539 HydrophobicContact CG1-CZ 4.36Å
358	S	90.9	Very high	90.6	Very high	29 Å²	29	21.4 Å²	21.4	20%	0.203	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-45.7	-179.6	-55.6	0	0	0	0	111.6	F330 Y354 S355 F361 L362	F330-S358 WeakPolarHBondContact CE2-OG 3.23Å; Y354-S358 WeakPolarHBondContact CE1-OG 3.47Å; Y354-S358 VanDerWaalsContact CZ-OG 3.31Å; Y354-S358 WeakPolarHBondContact O-CB 3.38Å; Y354-S358 PolarHBondContact O-N 2.79Å; Y354-S358 PolarHBondContact O-OG 3.08Å; S355-S358 PolarHBondContact O-N 2.86Å; S358-F361 PolarHBondContact O-N 2.98Å; S358-L362 WeakPolarHBondContact O-CB 3.47Å; S358-L362 PolarHBondContact O-N 2.79Å
359	L	94.2	Very high	91.1	Very high	41 Å²	41	20.7 Å²	20.7	22%	0.215	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-38.2	176.7	-68.2	166	0	0	0	111.4	S355 S356 I357 L362 A363 F391 A394	S355-L359 WeakPolarHBondContact O-CB 3.49Å; S355-L359 WeakPolarHBondContact O-CD1 3.26Å; S355-L359 WeakPolarHBondContact O-CG 3.22Å; S355-L359 PolarHBondContact O-N 3.3Å; S356-L359 PolarHBondContact O-N 2.82Å; I357-L359 PolarHBondContact O-N 3.45Å; L359-L362 PolarHBondContact O-N 3.17Å; L359-A363 WeakPolarHBondContact O-CB 3.06Å; L359-A363 PolarHBondContact O-N 3.32Å; L359-F391 HydrophobicContact CD2-CD1 3.62Å; L359-F391 HydrophobicContact CD2-CE1 3.94Å; L359-A394 HydrophobicContact CD1-CB 3.99Å
360	R	94.4	Very high	91.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-45.9	176.1	-159.5	79.5	-179.8	-174.5	-2.3	111.4	L326 S356 I357 L362 A363 Q364 Y392 S395 D531 E532 F539	L326-R360 HydrophobicContact CD1-CG 4.09Å; L326-R360 HydrophobicContact CD2-CG 4.49Å; S356-R360 PolarHBondContact O-N 2.89Å; I357-R360 PolarHBondContact O-N 3.06Å; R360-L362 VanDerWaalsContact C-N 3.33Å; R360-L362 PolarHBondContact O-N 3.38Å; R360-A363 WeakPolarHBondContact O-CB 3.26Å; R360-A363 PolarHBondContact O-N 3.49Å; R360-Q364 PolarHBondContact O-N 2.92Å; R360-Y392 HydrophobicContact CG-CE1 4.44Å; R360-Y392 VanDerWaalsContact CZ-CD1 3.44Å; R360-S395 WeakPolarHBondContact CB-OG 3.44Å; R360-D531 IonicContact CZ-OD2 3.44Å; R360-D531 IonicContact NH2-OD2 3.21Å; R360-D531 PolarHBondContact NH2-OD2 3.04Å; R360-E532 IonicContact CZ-OE1 3.96Å; R360-E532 IonicContact CZ-OE2 2.79Å; R360-E532 IonicContact NE-OE1 2.67Å; R360-E532 PolarHBondContact NE-OE1 2.96Å; R360-E532 IonicContact NE-OE2 3.26Å; R360-E532 PolarHBondContact NE-OE2 2.99Å; R360-E532 VanDerWaalsContact NH2-CD 3.28Å; R360-E532 IonicContact NH2-OE1 3.34Å; R360-E532 PolarHBondContact NH2-OE1 2.8Å; R360-E532 IonicContact NH2-OE2 3.52Å; R360-E532 PolarHBondContact NH2-OE2 2.72Å; R360-F539 HydrophobicContact CB-CE2 4.11Å; R360-F539 HydrophobicContact CB-CZ 4.23Å; R360-F539 HydrophobicContact CG-CE2 4.07Å; R360-F539 HydrophobicContact CG-CZ 4.4Å
361	F	93.7	Very high	91.4	Very high	33 Å²	33	20.5 Å²	20.5	15%	0.145	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-41.7	178.8	178.2	-107.3	0	0	0	111.5	F323 L326 F330 I357 S358 Q364 L365	F323-F361 HydrophobicContact CD2-CE2 4.06Å; F323-F361 AromaticContact CE2-CE2 3.72Å; F323-F361 HydrophobicContact CE2-CE2 3.72Å; F323-F361 AromaticContact CE2-CZ 3.88Å; F323-F361 HydrophobicContact CE2-CZ 3.88Å; F323-F361 HydrophobicContact CZ-CE2 4.49Å; F323-F361 HydrophobicContact CZ-CZ 4.47Å; L326-F361 HydrophobicContact CB-CD2 4.46Å; F330-F361 HydrophobicContact CB-CB 4.39Å; F330-F361 HydrophobicContact CB-CD2 4.4Å; F330-F361 HydrophobicContact CB-CG 4.23Å; F330-F361 AromaticContact CD1-CD1 3.83Å; F330-F361 HydrophobicContact CD1-CD1 3.83Å; F330-F361 HydrophobicContact CD1-CE1 4.04Å; F330-F361 HydrophobicContact CD1-CG 4.21Å; F330-F361 HydrophobicContact CD2-CB 4.4Å; F330-F361 HydrophobicContact CE1-CD1 4.05Å; F330-F361 HydrophobicContact CE1-CE1 4.22Å; F330-F361 HydrophobicContact CG-CB 4.3Å; F330-F361 HydrophobicContact CG-CD1 4.13Å; F330-F361 HydrophobicContact CG-CG 4.11Å; I357-F361 WeakPolarHBondContact O-CB 3.46Å; I357-F361 PolarHBondContact O-N 2.68Å; S358-F361 PolarHBondContact O-N 2.98Å; F361-Q364 PolarHBondContact O-N 3.02Å; F361-L365 PolarHBondContact O-N 3.48Å
362	L	91.7	Very high	91.4	Very high	18 Å²	18	20 Å²	20	9%	0.094	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-44.4	174	178.3	49.9	0	0	0	112.2	S24 S358 L359 R360 Q364 L365 I366 F391	S24-L362 WeakPolarHBondContact OG-CD1 3.37Å; S24-L362 VanDerWaalsContact OG-CD2 3.3Å; S24-L362 WeakPolarHBondContact OG-CD2 3.43Å; S358-L362 WeakPolarHBondContact O-CB 3.47Å; S358-L362 PolarHBondContact O-N 2.79Å; L359-L362 PolarHBondContact O-N 3.17Å; R360-L362 VanDerWaalsContact C-N 3.33Å; R360-L362 PolarHBondContact O-N 3.38Å; L362-Q364 VanDerWaalsContact C-N 3.28Å; L362-Q364 PolarHBondContact O-N 3.23Å; L362-L365 PolarHBondContact O-N 3.39Å; L362-I366 HydrophobicContact CD1-CD1 3.84Å; L362-I366 HydrophobicContact CD1-CG1 4.04Å; L362-I366 HydrophobicContact CG-CD1 4.04Å; L362-I366 WeakPolarHBondContact O-CG1 3.13Å; L362-I366 PolarHBondContact O-N 3Å; L362-F391 HydrophobicContact CD2-CD1 3.92Å; L362-F391 HydrophobicContact CD2-CD2 4.46Å; L362-F391 HydrophobicContact CD2-CE1 3.48Å; L362-F391 VanDerWaalsContact CD2-CE1 3.48Å; L362-F391 HydrophobicContact CD2-CE2 4.06Å; L362-F391 HydrophobicContact CD2-CG 4.4Å; L362-F391 HydrophobicContact CD2-CZ 3.56Å; L362-F391 HydrophobicContact CG-CD1 4.29Å; L362-F391 HydrophobicContact CG-CD2 4.34Å; L362-F391 HydrophobicContact CG-CE1 4.28Å; L362-F391 HydrophobicContact CG-CE2 4.3Å; L362-F391 HydrophobicContact CG-CG 4.35Å; L362-F391 HydrophobicContact CG-CZ 4.28Å
363	A	93.2	Very high	91.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.6	-44.3	174.5	0	0	0	0	0	111.6	L359 R360 I366 Q367 F391 Y392	L359-A363 WeakPolarHBondContact O-CB 3.06Å; L359-A363 PolarHBondContact O-N 3.32Å; R360-A363 WeakPolarHBondContact O-CB 3.26Å; R360-A363 PolarHBondContact O-N 3.49Å; A363-I366 PolarHBondContact O-N 3.46Å; A363-Q367 VanDerWaalsContact O-CB 3.31Å; A363-Q367 WeakPolarHBondContact O-CB 3.34Å; A363-Q367 PolarHBondContact O-N 3.3Å; A363-F391 HydrophobicContact CB-CB 3.56Å; A363-Y392 HydrophobicContact CB-CD1 3.58Å; A363-Y392 HydrophobicContact CB-CD2 3.82Å; A363-Y392 HydrophobicContact CB-CE1 3.54Å; A363-Y392 HydrophobicContact CB-CE2 3.78Å; A363-Y392 HydrophobicContact CB-CG 3.7Å
364	Q	93.9	Very high	91.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.9	-39.8	178.6	-168.6	64.5	36.5	0	0	112.5	D319 F323 L326 R360 F361 L362 L368 Y392	D319-Q364 VanDerWaalsContact CA-NE2 3.26Å; D319-Q364 PolarHBondContact O-NE2 2.89Å; D319-Q364 PolarHBondContact OD1-NE2 2.89Å; F323-Q364 HydrophobicContact CB-CG 4.04Å; L326-Q364 HydrophobicContact CD1-CB 4.29Å; L326-Q364 HydrophobicContact CD1-CG 4.3Å; R360-Q364 PolarHBondContact O-N 2.92Å; F361-Q364 PolarHBondContact O-N 3.02Å; L362-Q364 VanDerWaalsContact C-N 3.28Å; L362-Q364 PolarHBondContact O-N 3.23Å; Q364-L368 VanDerWaalsContact O-CB 3.26Å; Q364-L368 WeakPolarHBondContact O-CB 3.35Å; Q364-L368 PolarHBondContact O-N 3.37Å; Q364-Y392 VanDerWaalsContact CA-OH 3.25Å; Q364-Y392 WeakPolarHBondContact CA-OH 3.12Å; Q364-Y392 PolarHBondContact N-OH 3.42Å; Q364-Y392 PolarHBondContact OE1-OH 3.18Å
365	L	91.7	Very high	90.9	Very high	45 Å²	45	19.3 Å²	19.3	24%	0.236	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-45.8	176.5	178.7	67.3	0	0	0	111.8	F323 F361 L362 T369	F323-L365 HydrophobicContact CE2-CB 4.42Å; F323-L365 HydrophobicContact CE2-CD1 3.76Å; F323-L365 HydrophobicContact CZ-CD1 4.24Å; F361-L365 PolarHBondContact O-N 3.48Å; L362-L365 PolarHBondContact O-N 3.39Å; L365-T369 WeakPolarHBondContact O-CB 3.43Å; L365-T369 PolarHBondContact O-N 3.2Å; L365-T369 PolarHBondContact O-OG1 3.41Å
366	I	91.1	Very high	90.6	Very high	9 Å²	9	24.3 Å²	24.3	5%	0.046	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-47.4	178	-63.7	166.4	0	0	0	109.5	L362 A363 T369 V370 N384 L387 A388 F391	L362-I366 HydrophobicContact CD1-CD1 3.84Å; L362-I366 HydrophobicContact CD1-CG1 4.04Å; L362-I366 HydrophobicContact CG-CD1 4.04Å; L362-I366 WeakPolarHBondContact O-CG1 3.13Å; L362-I366 PolarHBondContact O-N 3Å; A363-I366 PolarHBondContact O-N 3.46Å; I366-T369 WeakPolarHBondContact O-CB 3.31Å; I366-T369 PolarHBondContact O-N 2.89Å; I366-V370 WeakPolarHBondContact O-CG2 3.25Å; I366-V370 PolarHBondContact O-N 3.24Å; I366-N384 HydrophobicContact CG2-CB 4.28Å; I366-N384 WeakPolarHBondContact CG2-O 3.28Å; I366-L387 HydrophobicContact CD1-CD2 4.16Å; I366-L387 HydrophobicContact CD1-CG 4.21Å; I366-A388 HydrophobicContact CB-CB 4.2Å; I366-A388 HydrophobicContact CG2-CB 3.96Å; I366-F391 HydrophobicContact CD1-CD2 3.61Å; I366-F391 HydrophobicContact CD1-CE2 3.66Å
367	Q	90.4	Very high	90	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-48.9	179.7	-171.2	59.9	47	0	0	111.8	A363 T369 V370 D371 A388 Y392	A363-Q367 VanDerWaalsContact O-CB 3.31Å; A363-Q367 WeakPolarHBondContact O-CB 3.34Å; A363-Q367 PolarHBondContact O-N 3.3Å; Q367-T369 VanDerWaalsContact C-N 3.27Å; Q367-T369 PolarHBondContact O-N 3.15Å; Q367-V370 WeakPolarHBondContact O-CB 3.2Å; Q367-V370 PolarHBondContact O-N 3.15Å; Q367-V370 VanDerWaalsContact O-N 3.08Å; Q367-D371 WeakPolarHBondContact CG-OD2 2.84Å; Q367-D371 PolarHBondContact NE2-OD1 3.07Å; Q367-D371 PolarHBondContact NE2-OD2 3.05Å; Q367-D371 PolarHBondContact O-N 2.97Å; Q367-A388 HydrophobicContact CB-CB 4.16Å; Q367-Y392 HydrophobicContact CB-CE2 4.31Å
368	L	91.9	Very high	89.2	Confident	19 Å²	19	26.9 Å²	26.9	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-39.7	176.9	-179.9	65	0	0	0	111.7	L316 D319 F323 Q364 V370 D371 V372	L316-L368 HydrophobicContact CD1-CD1 4.26Å; D319-L368 HydrophobicContact CB-CD1 4.29Å; F323-L368 HydrophobicContact CB-CD2 3.89Å; F323-L368 HydrophobicContact CD1-CD2 3.86Å; F323-L368 HydrophobicContact CD2-CD2 4.12Å; F323-L368 HydrophobicContact CE1-CD2 4.44Å; F323-L368 HydrophobicContact CG-CD2 3.68Å; Q364-L368 VanDerWaalsContact O-CB 3.26Å; Q364-L368 WeakPolarHBondContact O-CB 3.35Å; Q364-L368 PolarHBondContact O-N 3.37Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 3.2Å; L368-D371 PolarHBondContact O-N 2.98Å; L368-V372 HydrophobicContact CD1-CG2 4.04Å; L368-V372 HydrophobicContact CG-CG2 4.31Å; L368-V372 VanDerWaalsContact O-CB 3.32Å; L368-V372 WeakPolarHBondContact O-CB 3.46Å; L368-V372 WeakPolarHBondContact O-CG2 3.05Å; L368-V372 PolarHBondContact O-N 3.47Å
369	T	90.2	Very high	88.5	Confident	55 Å²	55	28.2 Å²	28.2	34%	0.337	14%	0.143	S	C	.	.	H	α-helix	trans	-64	-40.8	177.3	-55.6	0	0	0	0	111.2	L32 L365 I366 Q367 N373	L32-T369 HydrophobicContact CD2-CG2 4.34Å; L365-T369 WeakPolarHBondContact O-CB 3.43Å; L365-T369 PolarHBondContact O-N 3.2Å; L365-T369 PolarHBondContact O-OG1 3.41Å; I366-T369 WeakPolarHBondContact O-CB 3.31Å; I366-T369 PolarHBondContact O-N 2.89Å; Q367-T369 VanDerWaalsContact C-N 3.27Å; Q367-T369 PolarHBondContact O-N 3.15Å; T369-N373 WeakPolarHBondContact O-CB 3.17Å; T369-N373 PolarHBondContact O-N 3.05Å
370	V	88.2	Confident	87.6	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.024	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-49.7	175.7	175.5	0	0	0	0	111.2	I366 Q367 L368 V372 N373 F374 N384 T385	I366-V370 WeakPolarHBondContact O-CG2 3.25Å; I366-V370 PolarHBondContact O-N 3.24Å; Q367-V370 WeakPolarHBondContact O-CB 3.2Å; Q367-V370 PolarHBondContact O-N 3.15Å; Q367-V370 VanDerWaalsContact O-N 3.08Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 3.2Å; V370-V372 VanDerWaalsContact C-N 3.35Å; V370-V372 PolarHBondContact O-N 2.93Å; V370-N373 PolarHBondContact O-N 3Å; V370-F374 VanDerWaalsContact O-CB 3.32Å; V370-F374 WeakPolarHBondContact O-CB 3.17Å; V370-F374 PolarHBondContact O-N 3.15Å; V370-N384 HydrophobicContact CG2-CB 3.29Å; V370-T385 WeakPolarHBondContact CG1-OG1 3.42Å
371	D	87.4	Confident	86.7	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-34.9	-177.5	-68.9	-49	0	0	0	112	K315 L316 D319 Q367 L368 F374 A375	K315-D371 WeakPolarHBondContact CE-OD1 3.49Å; K315-D371 IonicContact NZ-OD1 2.89Å; K315-D371 PolarHBondContact NZ-OD1 3.45Å; K315-D371 IonicContact NZ-OD2 3.86Å; L316-D371 HydrophobicContact CD1-CB 4.08Å; D319-D371 VanDerWaalsContact OD2-OD2 3.12Å; Q367-D371 WeakPolarHBondContact CG-OD2 2.84Å; Q367-D371 PolarHBondContact NE2-OD1 3.07Å; Q367-D371 PolarHBondContact NE2-OD2 3.05Å; Q367-D371 PolarHBondContact O-N 2.97Å; L368-D371 PolarHBondContact O-N 2.98Å; D371-F374 PolarHBondContact O-N 3.24Å; D371-A375 WeakPolarHBondContact O-CB 3.26Å; D371-A375 PolarHBondContact O-N 3.41Å
372	V	88.7	Confident	86	Confident	46 Å²	46	27.9 Å²	27.9	28%	0.279	15%	0.146	S	C	.	.	H	α-helix	trans	-66.8	-41.1	171.9	170.2	0	0	0	0	111.4	L316 L368 V370 F374 A375 K376	L316-V372 HydrophobicContact CD1-CG2 3.79Å; L368-V372 HydrophobicContact CD1-CG2 4.04Å; L368-V372 HydrophobicContact CG-CG2 4.31Å; L368-V372 VanDerWaalsContact O-CB 3.32Å; L368-V372 WeakPolarHBondContact O-CB 3.46Å; L368-V372 WeakPolarHBondContact O-CG2 3.05Å; L368-V372 PolarHBondContact O-N 3.47Å; V370-V372 VanDerWaalsContact C-N 3.35Å; V370-V372 PolarHBondContact O-N 2.93Å; V372-F374 VanDerWaalsContact C-N 3.33Å; V372-A375 PolarHBondContact O-N 2.9Å; V372-K376 HydrophobicContact CG1-CD 4.27Å; V372-K376 WeakPolarHBondContact O-CG 3.37Å; V372-K376 PolarHBondContact O-N 3.45Å; V372-K376 VanDerWaalsContact O-N 3.09Å
373	N	87.3	Confident	85.5	Confident	47 Å²	47	31.5 Å²	31.5	25%	0.251	16%	0.161	S	C	.	.	H	α-helix	trans	-65.6	-41.2	176.3	-172.9	51.8	0	0	0	111	T369 V370 K376 T377	T369-N373 WeakPolarHBondContact O-CB 3.17Å; T369-N373 PolarHBondContact O-N 3.05Å; V370-N373 PolarHBondContact O-N 3Å; N373-K376 PolarHBondContact O-N 3.19Å; N373-T377 WeakPolarHBondContact O-CB 3.47Å; N373-T377 WeakPolarHBondContact O-CG2 3.49Å; N373-T377 PolarHBondContact O-N 2.88Å; N373-T377 PolarHBondContact O-OG1 3.29Å
374	F	85.9	Confident	84.9	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-46.3	175.9	175.8	-124.9	0	0	0	111.5	E38 H307 F308 V370 D371 V372 K376 T377 G378 Y379	E38-F374 HydrophobicContact CB-CD2 3.7Å; E38-F374 HydrophobicContact CB-CE2 3.09Å; E38-F374 HydrophobicContact CB-CZ 3.72Å; E38-F374 HydrophobicContact CG-CE2 3.96Å; E38-F374 HydrophobicContact CG-CZ 4.1Å; E38-F374 WeakPolarHBondContact OE2-CZ 3.2Å; H307-F374 HydrophobicContact CB-CE1 4.27Å; H307-F374 HydrophobicContact CB-CE2 3.73Å; H307-F374 HydrophobicContact CB-CZ 3.64Å; H307-F374 VanDerWaalsContact O-CZ 3.28Å; H307-F374 WeakPolarHBondContact O-CZ 3.41Å; F308-F374 HydrophobicContact CD1-CD1 4.06Å; F308-F374 AromaticContact CD1-CE1 3.7Å; F308-F374 HydrophobicContact CD1-CE1 3.7Å; F308-F374 AromaticContact CE1-CD1 3.53Å; F308-F374 HydrophobicContact CE1-CD1 3.53Å; F308-F374 AromaticContact CE1-CE1 3.68Å; F308-F374 HydrophobicContact CE1-CE1 3.68Å; F308-F374 HydrophobicContact CE2-CD1 4.49Å; F308-F374 HydrophobicContact CG-CE1 4.23Å; F308-F374 AromaticContact CZ-CD1 3.78Å; F308-F374 HydrophobicContact CZ-CD1 3.78Å; F308-F374 HydrophobicContact CZ-CE1 4.2Å; V370-F374 VanDerWaalsContact O-CB 3.32Å; V370-F374 WeakPolarHBondContact O-CB 3.17Å; V370-F374 PolarHBondContact O-N 3.15Å; D371-F374 PolarHBondContact O-N 3.24Å; V372-F374 VanDerWaalsContact C-N 3.33Å; F374-K376 VanDerWaalsContact C-N 3.28Å; F374-K376 PolarHBondContact O-N 3.45Å; F374-T377 PolarHBondContact O-N 3.47Å; F374-G378 VanDerWaalsContact O-CA 3.23Å; F374-G378 WeakPolarHBondContact O-CA 3.4Å; F374-G378 PolarHBondContact O-N 3.13Å; F374-Y379 WeakPolarHBondContact CA-O 3.3Å
375	A	86	Confident	84.5	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-36.1	175.7	0	0	0	0	0	113.6	L303 F308 L316 D371 V372	L303-A375 HydrophobicContact CD1-CB 3.51Å; L303-A375 HydrophobicContact CG-CB 3.89Å; L303-A375 VanDerWaalsContact O-CB 3.32Å; L303-A375 WeakPolarHBondContact O-CB 3.24Å; F308-A375 HydrophobicContact CE2-CB 3.74Å; F308-A375 HydrophobicContact CZ-CB 4.11Å; L316-A375 HydrophobicContact CD2-CB 3.97Å; D371-A375 WeakPolarHBondContact O-CB 3.26Å; D371-A375 PolarHBondContact O-N 3.41Å; V372-A375 PolarHBondContact O-N 2.9Å
376	K	84.4	Confident	84.1	Confident	147 Å²	147	31.9 Å²	31.9	64%	0.639	17%	0.166	S	C	*	.	H	α-helix	trans	-82.7	-35.5	-178.9	-74.7	-180	179.3	-178.2	0	114.3	L303 V372 N373 F374	L303-K376 HydrophobicContact CD1-CG 3.73Å; V372-K376 HydrophobicContact CG1-CD 4.27Å; V372-K376 WeakPolarHBondContact O-CG 3.37Å; V372-K376 PolarHBondContact O-N 3.45Å; V372-K376 VanDerWaalsContact O-N 3.09Å; N373-K376 PolarHBondContact O-N 3.19Å; F374-K376 VanDerWaalsContact C-N 3.28Å; F374-K376 PolarHBondContact O-N 3.45Å
377	T	80.8	Confident	83.9	Confident	54 Å²	54	33 Å²	33	33%	0.331	17%	0.172	S	C	.	.	H	α-helix	trans	-116	-21.2	-165.6	68.8	0	0	0	0	112.7	N373 F374 Y379	N373-T377 WeakPolarHBondContact O-CB 3.47Å; N373-T377 WeakPolarHBondContact O-CG2 3.49Å; N373-T377 PolarHBondContact O-N 2.88Å; N373-T377 PolarHBondContact O-OG1 3.29Å; F374-T377 PolarHBondContact O-N 3.47Å; T377-Y379 WeakPolarHBondContact O-CD2 3.31Å; T377-Y379 VanDerWaalsContact O-CE2 3.22Å; T377-Y379 WeakPolarHBondContact O-CE2 3.2Å; T377-Y379 PolarHBondContact O-N 2.83Å; T377-Y379 WeakPolarHBondContact OG1-CD2 3.41Å; T377-Y379 PolarHBondContact OG1-N 3.5Å; T377-Y379 VanDerWaalsContact OG1-N 3.1Å
378	G	77.5	Confident	83.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	74.1	8.2	-167.2	0	0	0	0	0	113.3	E38 I39 H307 F374	E38-G378 CarbonylContact C-O 3.49Å; E38-G378 WeakPolarHBondContact CA-O 3.34Å; E38-G378 WeakPolarHBondContact CB-O 3.37Å; E38-G378 PolarHBondContact N-O 2.8Å; I39-G378 PolarHBondContact N-O 3.16Å; I39-G378 VanDerWaalsContact N-O 3.07Å; H307-G378 VanDerWaalsContact CD2-CA 3.44Å; H307-G378 WeakPolarHBondContact CD2-CA 3.48Å; H307-G378 PolarHBondContact CD2-N 3.37Å; H307-G378 VanDerWaalsContact CD2-N 3.33Å; H307-G378 PolarHBondContact NE2-N 3.38Å; F374-G378 VanDerWaalsContact O-CA 3.23Å; F374-G378 WeakPolarHBondContact O-CA 3.4Å; F374-G378 PolarHBondContact O-N 3.13Å
379	Y	76.6	Confident	83.8	Confident	58 Å²	58	33.1 Å²	33.1	23%	0.227	17%	0.172	C	C	.	.			trans	-99	128.7	-179.4	-63.9	-101.4	0	0	0	112.5	S37 I39 R292 F374 T377	S37-Y379 VanDerWaalsContact CA-CD1 3.45Å; I39-Y379 HydrophobicContact CD1-CE1 4.05Å; I39-Y379 HydrophobicContact CD1-CE2 4.15Å; R292-Y379 PolarHBondContact NH2-OH 2.78Å; F374-Y379 WeakPolarHBondContact CA-O 3.3Å; T377-Y379 WeakPolarHBondContact O-CD2 3.31Å; T377-Y379 VanDerWaalsContact O-CE2 3.22Å; T377-Y379 WeakPolarHBondContact O-CE2 3.2Å; T377-Y379 PolarHBondContact O-N 2.83Å; T377-Y379 WeakPolarHBondContact OG1-CD2 3.41Å; T377-Y379 PolarHBondContact OG1-N 3.5Å; T377-Y379 VanDerWaalsContact OG1-N 3.1Å
380	F	74.3	Confident	83.8	Confident	19 Å²	19	33.2 Å²	33.2	8%	0.083	17%	0.17	C	C	.	.			trans	-81.1	-27.3	-167.2	-179.2	-118	0	0	0	117.3	T36 S37 E38 T385 R447	T36-F380 CarbonylContact O-C 3.5Å; T36-F380 VanDerWaalsContact O-C 3.27Å; T36-F380 VanDerWaalsContact O-CA 3.26Å; T36-F380 WeakPolarHBondContact O-CA 3.45Å; T36-F380 WeakPolarHBondContact O-CB 3.42Å; T36-F380 PolarHBondContact O-N 3.39Å; S37-F380 VanDerWaalsContact C-N 3.27Å; E38-F380 HydrophobicContact CB-CB 3.64Å; E38-F380 HydrophobicContact CG-CB 3.91Å; E38-F380 HydrophobicContact CG-CG 4.35Å; E38-F380 WeakPolarHBondContact OE2-CD2 3.5Å; F380-T385 HydrophobicContact CE2-CG2 4.41Å; F380-T385 HydrophobicContact CZ-CG2 3.82Å; F380-T385 WeakPolarHBondContact CZ-OG1 3.45Å; F380-R447 VanDerWaalsContact CD2-NH2 3.3Å; F380-R447 VanDerWaalsContact CG-NH1 3.25Å
381	N	76.9	Confident	84	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.179	C	C	.	.			trans	38.8	79.4	-169.1	-163.4	-19.8	0	0	0	116.5	N34 T36 F383 N384 T385	N34-N381 WeakPolarHBondContact O-CB 3.49Å; N34-N381 PolarHBondContact O-ND2 3.19Å; N34-N381 PolarHBondContact O-OD1 2.74Å; N34-N381 VanDerWaalsContact O-OD1 3.06Å; T36-N381 PolarHBondContact O-N 2.9Å; N381-F383 PolarHBondContact O-N 2.93Å; N381-F383 PolarHBondContact OD1-N 3Å; N381-N384 HydrophobicContact CB-CB 4.5Å; N381-N384 PolarHBondContact ND2-ND2 3.28Å; N381-N384 PolarHBondContact O-N 3.34Å; N381-N384 PolarHBondContact OD1-N 3.49Å; N381-T385 PolarHBondContact O-N 2.89Å; N381-T385 PolarHBondContact O-OG1 3.49Å
382	S	77.8	Confident	84.3	Confident	45 Å²	45	35.8 Å²	35.8	32%	0.315	18%	0.181	S	C	.	.	H	α-helix	trans	-59.3	-32.2	176.5	-176.8	0	0	0	0	113.9	T36 S386	T36-S382 PolarHBondContact OG1-N 3.4Å; T36-S382 VanDerWaalsContact OG1-N 3.1Å; S382-S386 WeakPolarHBondContact O-CB 3.31Å; S382-S386 PolarHBondContact O-N 3.09Å; S382-S386 PolarHBondContact O-OG 3.17Å
383	F	80.7	Confident	84.5	Confident	95 Å²	95	33.7 Å²	33.7	42%	0.417	17%	0.168	S	C	.	.	H	α-helix	trans	-67.6	-50.2	-178.3	176.9	-98.2	0	0	0	111.7	H31 N381 T385 S386 L387	H31-F383 AromaticContact CD2-CE1 3.94Å; H31-F383 AromaticContact CE1-CE1 3.68Å; H31-F383 AromaticContact CG-CE1 3.86Å; H31-F383 AromaticContact ND1-CE1 3.69Å; H31-F383 AromaticContact NE2-CE1 3.84Å; N381-F383 PolarHBondContact O-N 2.93Å; N381-F383 PolarHBondContact OD1-N 3Å; F383-T385 VanDerWaalsContact C-N 3.33Å; F383-T385 PolarHBondContact O-N 3.44Å; F383-S386 WeakPolarHBondContact O-CB 3.08Å; F383-S386 PolarHBondContact O-N 2.82Å; F383-L387 WeakPolarHBondContact O-CB 3.44Å; F383-L387 PolarHBondContact O-N 3Å
384	N	82.1	Confident	84.8	Confident	15 Å²	15	33 Å²	33	8%	0.08	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-35.3	-180	-74.6	-6	0	0	0	111.6	H31 I366 V370 N381 L387 A388	H31-N384 PolarHBondContact O-ND2 3.43Å; I366-N384 HydrophobicContact CG2-CB 4.28Å; I366-N384 WeakPolarHBondContact CG2-O 3.28Å; V370-N384 HydrophobicContact CG2-CB 3.29Å; N381-N384 HydrophobicContact CB-CB 4.5Å; N381-N384 PolarHBondContact ND2-ND2 3.28Å; N381-N384 PolarHBondContact O-N 3.34Å; N381-N384 PolarHBondContact OD1-N 3.49Å; N384-L387 WeakPolarHBondContact O-CB 3.45Å; N384-L387 PolarHBondContact O-N 3.33Å; N384-A388 PolarHBondContact O-N 3.36Å
385	T	84.3	Confident	85.2	Confident	10 Å²	10	32.9 Å²	32.9	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-46.5	171.8	-59.1	0	0	0	0	111.5	V370 F380 N381 F383 L387 A388 H389	V370-T385 WeakPolarHBondContact CG1-OG1 3.42Å; F380-T385 HydrophobicContact CE2-CG2 4.41Å; F380-T385 HydrophobicContact CZ-CG2 3.82Å; F380-T385 WeakPolarHBondContact CZ-OG1 3.45Å; N381-T385 PolarHBondContact O-N 2.89Å; N381-T385 PolarHBondContact O-OG1 3.49Å; F383-T385 VanDerWaalsContact C-N 3.33Å; F383-T385 PolarHBondContact O-N 3.44Å; T385-L387 VanDerWaalsContact C-N 3.3Å; T385-L387 PolarHBondContact O-N 3.25Å; T385-A388 WeakPolarHBondContact O-CB 2.95Å; T385-A388 PolarHBondContact O-N 3.31Å; T385-H389 PolarHBondContact O-CD2 2.99Å; T385-H389 PolarHBondContact O-N 3.41Å
386	S	84.5	Confident	85.6	Confident	28 Å²	28	33 Å²	33	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-43.1	175.6	-61.4	0	0	0	0	111.1	S382 F383 A388 H389 L390	S382-S386 WeakPolarHBondContact O-CB 3.31Å; S382-S386 PolarHBondContact O-N 3.09Å; S382-S386 PolarHBondContact O-OG 3.17Å; F383-S386 WeakPolarHBondContact O-CB 3.08Å; F383-S386 PolarHBondContact O-N 2.82Å; S386-A388 PolarHBondContact O-N 3.23Å; S386-H389 WeakPolarHBondContact O-CB 3.39Å; S386-H389 PolarHBondContact O-N 3.1Å; S386-L390 WeakPolarHBondContact O-CG 3.28Å; S386-L390 PolarHBondContact O-N 3.38Å
387	L	86.8	Confident	86.1	Confident	32 Å²	32	26.1 Å²	26.1	17%	0.168	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-43.4	176.5	-175	62.6	0	0	0	112.2	V27 I366 F383 N384 T385 H389 L390 F391	V27-L387 HydrophobicContact CG1-CD2 4.35Å; I366-L387 HydrophobicContact CD1-CD2 4.16Å; I366-L387 HydrophobicContact CD1-CG 4.21Å; F383-L387 WeakPolarHBondContact O-CB 3.44Å; F383-L387 PolarHBondContact O-N 3Å; N384-L387 WeakPolarHBondContact O-CB 3.45Å; N384-L387 PolarHBondContact O-N 3.33Å; T385-L387 VanDerWaalsContact C-N 3.3Å; T385-L387 PolarHBondContact O-N 3.25Å; L387-H389 VanDerWaalsContact C-N 3.34Å; L387-H389 PolarHBondContact O-N 2.83Å; L387-L390 HydrophobicContact CD1-CD1 4.17Å; L387-L390 WeakPolarHBondContact O-CB 3.32Å; L387-L390 PolarHBondContact O-N 3.12Å; L387-F391 HydrophobicContact CD1-CD2 4.2Å; L387-F391 HydrophobicContact CD1-CE2 3.71Å; L387-F391 HydrophobicContact CD2-CE2 4.41Å; L387-F391 HydrophobicContact CG-CD2 4.11Å; L387-F391 HydrophobicContact CG-CE2 3.83Å; L387-F391 VanDerWaalsContact O-CD2 3.25Å; L387-F391 WeakPolarHBondContact O-CD2 3.42Å; L387-F391 PolarHBondContact O-N 2.84Å; L387-F391 VanDerWaalsContact O-N 3.15Å
388	A	89.9	Confident	86.7	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-45.3	173.9	0	0	0	0	0	111.2	I366 Q367 N384 T385 S386 L390 F391 Y392	I366-A388 HydrophobicContact CB-CB 4.2Å; I366-A388 HydrophobicContact CG2-CB 3.96Å; Q367-A388 HydrophobicContact CB-CB 4.16Å; N384-A388 PolarHBondContact O-N 3.36Å; T385-A388 WeakPolarHBondContact O-CB 2.95Å; T385-A388 PolarHBondContact O-N 3.31Å; S386-A388 PolarHBondContact O-N 3.23Å; A388-L390 VanDerWaalsContact C-N 3.31Å; A388-L390 PolarHBondContact O-N 3.45Å; A388-F391 PolarHBondContact O-N 3Å; A388-F391 VanDerWaalsContact O-N 3.15Å; A388-Y392 HydrophobicContact CB-CE2 4.29Å; A388-Y392 WeakPolarHBondContact O-CD2 3.28Å; A388-Y392 PolarHBondContact O-N 3.36Å
389	H	89	Confident	87.5	Confident	30 Å²	30	25.1 Å²	25.1	14%	0.139	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-36.6	175	-70.4	-53.2	0	0	0	113.4	T385 S386 L387 Y392 A393	T385-H389 PolarHBondContact O-CD2 2.99Å; T385-H389 PolarHBondContact O-N 3.41Å; S386-H389 WeakPolarHBondContact O-CB 3.39Å; S386-H389 PolarHBondContact O-N 3.1Å; L387-H389 VanDerWaalsContact C-N 3.34Å; L387-H389 PolarHBondContact O-N 2.83Å; H389-Y392 PolarHBondContact O-N 3.16Å; H389-A393 WeakPolarHBondContact O-CB 3.31Å; H389-A393 PolarHBondContact O-N 2.78Å
390	L	90.4	Very high	88.4	Confident	57 Å²	57	22.5 Å²	22.5	30%	0.298	12%	0.123	S	C	.	.	H	α-helix	trans	-61.4	-46	173.6	-62.8	172.9	0	0	0	111.3	S386 L387 A388 A393 A394 L437 I441	S386-L390 WeakPolarHBondContact O-CG 3.28Å; S386-L390 PolarHBondContact O-N 3.38Å; L387-L390 HydrophobicContact CD1-CD1 4.17Å; L387-L390 WeakPolarHBondContact O-CB 3.32Å; L387-L390 PolarHBondContact O-N 3.12Å; A388-L390 VanDerWaalsContact C-N 3.31Å; A388-L390 PolarHBondContact O-N 3.45Å; L390-A393 PolarHBondContact O-N 3.4Å; L390-A394 WeakPolarHBondContact O-CB 3.28Å; L390-A394 PolarHBondContact O-N 3.29Å; L390-L437 HydrophobicContact CB-CD1 4.42Å; L390-L437 HydrophobicContact CD2-CD1 3.39Å; L390-L437 HydrophobicContact CD2-CG 4.1Å; L390-L437 HydrophobicContact CG-CD1 4.49Å; L390-I441 HydrophobicContact CD2-CD1 3.51Å; L390-I441 HydrophobicContact CD2-CG1 3.54Å
391	F	92.6	Very high	89.3	Confident	49 Å²	49	22.1 Å²	22.1	22%	0.215	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-37.6	178.2	-76.9	-69.6	0	0	0	112.3	L359 L362 A363 I366 L387 A388 A394 S395	L359-F391 HydrophobicContact CD2-CD1 3.62Å; L359-F391 HydrophobicContact CD2-CE1 3.94Å; L362-F391 HydrophobicContact CD2-CD1 3.92Å; L362-F391 HydrophobicContact CD2-CD2 4.46Å; L362-F391 HydrophobicContact CD2-CE1 3.48Å; L362-F391 VanDerWaalsContact CD2-CE1 3.48Å; L362-F391 HydrophobicContact CD2-CE2 4.06Å; L362-F391 HydrophobicContact CD2-CG 4.4Å; L362-F391 HydrophobicContact CD2-CZ 3.56Å; L362-F391 HydrophobicContact CG-CD1 4.29Å; L362-F391 HydrophobicContact CG-CD2 4.34Å; L362-F391 HydrophobicContact CG-CE1 4.28Å; L362-F391 HydrophobicContact CG-CE2 4.3Å; L362-F391 HydrophobicContact CG-CG 4.35Å; L362-F391 HydrophobicContact CG-CZ 4.28Å; A363-F391 HydrophobicContact CB-CB 3.56Å; I366-F391 HydrophobicContact CD1-CD2 3.61Å; I366-F391 HydrophobicContact CD1-CE2 3.66Å; L387-F391 HydrophobicContact CD1-CD2 4.2Å; L387-F391 HydrophobicContact CD1-CE2 3.71Å; L387-F391 HydrophobicContact CD2-CE2 4.41Å; L387-F391 HydrophobicContact CG-CD2 4.11Å; L387-F391 HydrophobicContact CG-CE2 3.83Å; L387-F391 VanDerWaalsContact O-CD2 3.25Å; L387-F391 WeakPolarHBondContact O-CD2 3.42Å; L387-F391 PolarHBondContact O-N 2.84Å; L387-F391 VanDerWaalsContact O-N 3.15Å; A388-F391 PolarHBondContact O-N 3Å; A388-F391 VanDerWaalsContact O-N 3.15Å; F391-A394 PolarHBondContact O-N 3.49Å; F391-S395 WeakPolarHBondContact O-CB 3.14Å; F391-S395 PolarHBondContact O-N 3.42Å
392	Y	93.3	Very high	90	Very high	11 Å²	11	22 Å²	22	4%	0.043	12%	0.124	C	C	.	.	H	α-helix	trans	-60	-47.4	170.8	-76.9	-57.1	0	0	0	111.8	R360 A363 Q364 Q367 A388 H389 A394 S395 I396 R528	R360-Y392 HydrophobicContact CG-CE1 4.44Å; R360-Y392 VanDerWaalsContact CZ-CD1 3.44Å; A363-Y392 HydrophobicContact CB-CD1 3.58Å; A363-Y392 HydrophobicContact CB-CD2 3.82Å; A363-Y392 HydrophobicContact CB-CE1 3.54Å; A363-Y392 HydrophobicContact CB-CE2 3.78Å; A363-Y392 HydrophobicContact CB-CG 3.7Å; Q364-Y392 VanDerWaalsContact CA-OH 3.25Å; Q364-Y392 WeakPolarHBondContact CA-OH 3.12Å; Q364-Y392 PolarHBondContact N-OH 3.42Å; Q364-Y392 PolarHBondContact OE1-OH 3.18Å; Q367-Y392 HydrophobicContact CB-CE2 4.31Å; A388-Y392 HydrophobicContact CB-CE2 4.29Å; A388-Y392 WeakPolarHBondContact O-CD2 3.28Å; A388-Y392 PolarHBondContact O-N 3.36Å; H389-Y392 PolarHBondContact O-N 3.16Å; Y392-A394 PolarHBondContact O-N 3.44Å; Y392-S395 WeakPolarHBondContact O-CB 3.33Å; Y392-S395 PolarHBondContact O-N 2.91Å; Y392-I396 VanDerWaalsContact O-CG1 3.29Å; Y392-I396 WeakPolarHBondContact O-CG1 3.44Å; Y392-I396 PolarHBondContact O-N 3Å; Y392-R528 PolarHBondContact OH-NH2 3.16Å
393	A	93.4	Very high	90.7	Very high	2 Å²	2	20 Å²	20	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-59.9	-47.2	178.1	0	0	0	0	0	111.3	H389 L390 S395 I396 S397 N436 L437 Q440	H389-A393 WeakPolarHBondContact O-CB 3.31Å; H389-A393 PolarHBondContact O-N 2.78Å; L390-A393 PolarHBondContact O-N 3.4Å; A393-S395 PolarHBondContact O-N 3.26Å; A393-I396 PolarHBondContact O-N 2.67Å; A393-S397 PolarHBondContact O-N 3.35Å; A393-S397 PolarHBondContact O-OG 2.92Å; A393-S397 VanDerWaalsContact O-OG 3.11Å; A393-N436 PolarHBondContact O-ND2 2.96Å; A393-L437 HydrophobicContact CB-CD1 4.12Å; A393-Q440 HydrophobicContact CB-CB 4.15Å; A393-Q440 HydrophobicContact CB-CG 3.88Å
394	A	92.8	Very high	91.2	Very high	32 Å²	32	15.5 Å²	15.5	26%	0.264	9%	0.09	S	C	.	.	H	α-helix	trans	-62.1	-42	177.8	0	0	0	0	0	112	L359 L390 F391 Y392 S397 C398	L359-A394 HydrophobicContact CD1-CB 3.99Å; L390-A394 WeakPolarHBondContact O-CB 3.28Å; L390-A394 PolarHBondContact O-N 3.29Å; F391-A394 PolarHBondContact O-N 3.49Å; Y392-A394 PolarHBondContact O-N 3.44Å; A394-S397 PolarHBondContact O-N 2.78Å; A394-C398 WeakPolarHBondContact O-CB 3.35Å; A394-C398 PolarHBondContact O-N 3.42Å; A394-C398 PolarHBondContact O-SG 3.45Å; A394-C398 VanDerWaalsContact O-SG 3.38Å
395	S	95.3	Very high	91.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-49.5	175.7	175.6	0	0	0	0	112.1	S356 R360 F391 Y392 A393 S397 C398 F399	S356-S395 WeakPolarHBondContact O-CB 3.16Å; S356-S395 PolarHBondContact O-OG 2.96Å; S356-S395 PolarHBondContact OG-O 3.44Å; S356-S395 PolarHBondContact OG-OG 3.23Å; R360-S395 WeakPolarHBondContact CB-OG 3.44Å; F391-S395 WeakPolarHBondContact O-CB 3.14Å; F391-S395 PolarHBondContact O-N 3.42Å; Y392-S395 WeakPolarHBondContact O-CB 3.33Å; Y392-S395 PolarHBondContact O-N 2.91Å; A393-S395 PolarHBondContact O-N 3.26Å; S395-S397 VanDerWaalsContact C-N 3.31Å; S395-S397 PolarHBondContact O-N 2.89Å; S395-C398 PolarHBondContact O-N 3.36Å; S395-F399 PolarHBondContact O-N 3.13Å
396	I	94	Very high	91.8	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-56.8	-45.9	177.2	-73.2	170.3	0	0	0	110.3	Y392 A393 F399 Y400 W503	Y392-I396 VanDerWaalsContact O-CG1 3.29Å; Y392-I396 WeakPolarHBondContact O-CG1 3.44Å; Y392-I396 PolarHBondContact O-N 3Å; A393-I396 PolarHBondContact O-N 2.67Å; I396-F399 WeakPolarHBondContact O-CB 3.41Å; I396-F399 PolarHBondContact O-N 3.43Å; I396-Y400 PolarHBondContact O-N 3.1Å; I396-W503 HydrophobicContact CG2-CH2 4.35Å; I396-W503 HydrophobicContact CG2-CZ2 3.98Å
397	S	94.5	Very high	92.1	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-70.6	-36.1	-179	-59.2	0	0	0	0	113	A393 A394 S395 F399 Y400 A401 H432 V433 N436	A393-S397 PolarHBondContact O-N 3.35Å; A393-S397 PolarHBondContact O-OG 2.92Å; A393-S397 VanDerWaalsContact O-OG 3.11Å; A394-S397 PolarHBondContact O-N 2.78Å; S395-S397 VanDerWaalsContact C-N 3.31Å; S395-S397 PolarHBondContact O-N 2.89Å; S397-F399 VanDerWaalsContact C-N 3.31Å; S397-Y400 PolarHBondContact O-N 3.49Å; S397-A401 WeakPolarHBondContact O-CB 3.49Å; S397-A401 PolarHBondContact O-N 2.83Å; S397-H432 PolarHBondContact OG-CD2 3.43Å; S397-V433 VanDerWaalsContact CB-CG2 3.42Å; S397-N436 PolarHBondContact OG-ND2 3.17Å
398	C	93.3	Very high	92.2	Very high	30 Å²	30	13.2 Å²	13.2	20%	0.203	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-38.3	169.9	-73.2	0	0	0	0	111.8	A394 S395 A401 S402	A394-C398 WeakPolarHBondContact O-CB 3.35Å; A394-C398 PolarHBondContact O-N 3.42Å; A394-C398 PolarHBondContact O-SG 3.45Å; A394-C398 VanDerWaalsContact O-SG 3.38Å; S395-C398 PolarHBondContact O-N 3.36Å; C398-A401 PolarHBondContact O-N 3.33Å; C398-S402 PolarHBondContact O-N 2.98Å
399	F	94.9	Very high	92	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.018	8%	0.076	C	C	.	.	H	α-helix	trans	-64.8	-46.7	175.8	-171.2	-110.6	0	0	0	111.3	S356 S395 I396 S397 A401 S402 L403 W503 F539 M542	S356-F399 WeakPolarHBondContact OG-CB 3.43Å; S395-F399 PolarHBondContact O-N 3.13Å; I396-F399 WeakPolarHBondContact O-CB 3.41Å; I396-F399 PolarHBondContact O-N 3.43Å; S397-F399 VanDerWaalsContact C-N 3.31Å; F399-A401 PolarHBondContact O-N 3.35Å; F399-S402 WeakPolarHBondContact O-CB 3.31Å; F399-S402 PolarHBondContact O-N 2.92Å; F399-S402 VanDerWaalsContact O-N 3.11Å; F399-S402 PolarHBondContact O-OG 3.35Å; F399-L403 HydrophobicContact CD1-CD1 3.84Å; F399-L403 HydrophobicContact CD1-CG 4.48Å; F399-L403 HydrophobicContact CE1-CD1 3.62Å; F399-L403 HydrophobicContact CE1-CG 4.22Å; F399-L403 HydrophobicContact CZ-CD1 4.36Å; F399-L403 PolarHBondContact O-N 3.47Å; F399-W503 HydrophobicContact CD1-CD2 4.1Å; F399-W503 AromaticContact CD1-CE2 3.64Å; F399-W503 HydrophobicContact CD1-CG 4.34Å; F399-W503 AromaticContact CD1-CZ2 3.98Å; F399-W503 HydrophobicContact CD1-CZ2 3.98Å; F399-W503 AromaticContact CD1-NE1 3.63Å; F399-W503 AromaticContact CE1-CD1 3.6Å; F399-W503 AromaticContact CE1-CD2 3.96Å; F399-W503 HydrophobicContact CE1-CD2 3.96Å; F399-W503 AromaticContact CE1-CE2 3.9Å; F399-W503 AromaticContact CE1-CG 3.78Å; F399-W503 HydrophobicContact CE1-CG 3.78Å; F399-W503 AromaticContact CE1-NE1 3.69Å; F399-F539 HydrophobicContact CB-CE1 4.45Å; F399-F539 AromaticContact CD2-CD1 3.76Å; F399-F539 HydrophobicContact CD2-CD1 3.76Å; F399-F539 AromaticContact CD2-CE1 3.58Å; F399-F539 HydrophobicContact CD2-CE1 3.58Å; F399-F539 AromaticContact CE2-CD1 3.83Å; F399-F539 HydrophobicContact CE2-CD1 3.83Å; F399-F539 HydrophobicContact CE2-CE1 4.1Å; F399-F539 HydrophobicContact CG-CE1 4.2Å; F399-M542 HydrophobicContact CE2-CE 4.49Å; F399-M542 HydrophobicContact CE2-CG 3.72Å; F399-M542 HydrophobicContact CZ-CG 4.24Å
400	Y	94.8	Very high	91.6	Very high	2 Å²	2	14 Å²	14	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-59	-45.4	174.2	172.6	-114.3	0	0	0	112.5	I396 S397 S402 L403 L404 I428 H432 W503 F504	I396-Y400 PolarHBondContact O-N 3.1Å; S397-Y400 PolarHBondContact O-N 3.49Å; Y400-S402 VanDerWaalsContact C-N 3.26Å; Y400-S402 PolarHBondContact O-N 3.45Å; Y400-L403 WeakPolarHBondContact O-CB 3.33Å; Y400-L403 PolarHBondContact O-N 2.67Å; Y400-L403 VanDerWaalsContact O-N 3.13Å; Y400-L404 HydrophobicContact CD1-CD1 4.06Å; Y400-L404 HydrophobicContact CD1-CG 4.5Å; Y400-L404 HydrophobicContact CD2-CG 4.28Å; Y400-L404 HydrophobicContact CE1-CD1 3.4Å; Y400-L404 HydrophobicContact CE1-CG 4.04Å; Y400-L404 HydrophobicContact CE2-CD1 4.04Å; Y400-L404 HydrophobicContact CE2-CD2 3.94Å; Y400-L404 HydrophobicContact CE2-CG 3.76Å; Y400-L404 PolarHBondContact O-N 2.82Å; Y400-I428 HydrophobicContact CE1-CG2 4.27Å; Y400-I428 WeakPolarHBondContact OH-CG2 3.34Å; Y400-H432 HydrophobicContact CD1-CB 4Å; Y400-H432 AromaticContact CD1-CD2 3.65Å; Y400-H432 AromaticContact CD1-CG 3.55Å; Y400-H432 AromaticContact CD1-ND1 3.82Å; Y400-H432 AromaticContact CD1-NE2 3.99Å; Y400-H432 HydrophobicContact CE1-CB 3.8Å; Y400-H432 AromaticContact CE1-CG 3.73Å; Y400-H432 AromaticContact CE1-ND1 3.88Å; Y400-W503 HydrophobicContact CD2-CZ3 4.43Å; Y400-F504 HydrophobicContact CD2-CE1 4.03Å; Y400-F504 HydrophobicContact CD2-CZ 4.03Å; Y400-F504 AromaticContact CE2-CE1 3.99Å; Y400-F504 HydrophobicContact CE2-CE1 3.99Å; Y400-F504 HydrophobicContact CE2-CZ 4.04Å
401	A	92.9	Very high	90.9	Very high	12 Å²	12	12.9 Å²	12.9	10%	0.099	8%	0.075	C	C	.	.	H	α-helix	trans	-59.3	-39	174.8	0	0	0	0	0	111.6	S397 C398 F399 L404 V405	S397-A401 WeakPolarHBondContact O-CB 3.49Å; S397-A401 PolarHBondContact O-N 2.83Å; C398-A401 PolarHBondContact O-N 3.33Å; F399-A401 PolarHBondContact O-N 3.35Å; A401-L404 PolarHBondContact O-N 3.24Å; A401-V405 WeakPolarHBondContact O-CB 3.27Å; A401-V405 VanDerWaalsContact O-CG2 3.23Å; A401-V405 WeakPolarHBondContact O-CG2 3.46Å; A401-V405 PolarHBondContact O-N 3.22Å
402	S	91.5	Very high	90.2	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.014	7%	0.066	C	C	.	.	H	α-helix	trans	-64.5	-40.5	175.2	81	0	0	0	0	112.5	C398 F399 Y400 L406	C398-S402 PolarHBondContact O-N 2.98Å; F399-S402 WeakPolarHBondContact O-CB 3.31Å; F399-S402 PolarHBondContact O-N 2.92Å; F399-S402 VanDerWaalsContact O-N 3.11Å; F399-S402 PolarHBondContact O-OG 3.35Å; Y400-S402 VanDerWaalsContact C-N 3.26Å; Y400-S402 PolarHBondContact O-N 3.45Å; S402-L406 VanDerWaalsContact O-CB 3.26Å; S402-L406 WeakPolarHBondContact O-CB 3.25Å; S402-L406 PolarHBondContact O-N 3.25Å
403	L	93.1	Very high	89.6	Confident	3 Å²	3	12 Å²	12	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-62.6	-45.8	174.6	-76.4	166.4	0	0	0	111.8	F399 Y400 G407 Y475 F496 S500 W503 F504 M542	F399-L403 HydrophobicContact CD1-CD1 3.84Å; F399-L403 HydrophobicContact CD1-CG 4.48Å; F399-L403 HydrophobicContact CE1-CD1 3.62Å; F399-L403 HydrophobicContact CE1-CG 4.22Å; F399-L403 HydrophobicContact CZ-CD1 4.36Å; F399-L403 PolarHBondContact O-N 3.47Å; Y400-L403 WeakPolarHBondContact O-CB 3.33Å; Y400-L403 PolarHBondContact O-N 2.67Å; Y400-L403 VanDerWaalsContact O-N 3.13Å; L403-G407 WeakPolarHBondContact O-CA 3.03Å; L403-G407 PolarHBondContact O-N 3.49Å; L403-Y475 HydrophobicContact CB-CD2 4.35Å; L403-Y475 HydrophobicContact CB-CE2 4.23Å; L403-F496 HydrophobicContact CD2-CE2 4.18Å; L403-F496 HydrophobicContact CD2-CZ 3.81Å; L403-S500 WeakPolarHBondContact CD2-OG 3.39Å; L403-W503 HydrophobicContact CD1-CD2 4.28Å; L403-W503 HydrophobicContact CD1-CE3 3.93Å; L403-W503 HydrophobicContact CD1-CZ3 4.29Å; L403-F504 HydrophobicContact CD1-CE2 4.35Å; L403-F504 HydrophobicContact CD1-CZ 4.41Å; L403-M542 HydrophobicContact CB-CE 4.32Å; L403-M542 HydrophobicContact CD2-CE 3.22Å; L403-M542 HydrophobicContact CG-CE 3.58Å
404	L	92.5	Very high	88.8	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.9	-49.3	177.6	-76.7	-177.5	0	0	0	112.1	Y400 A401 G407 S408 I428 Y475 I478	Y400-L404 HydrophobicContact CD1-CD1 4.06Å; Y400-L404 HydrophobicContact CD1-CG 4.5Å; Y400-L404 HydrophobicContact CD2-CG 4.28Å; Y400-L404 HydrophobicContact CE1-CD1 3.4Å; Y400-L404 HydrophobicContact CE1-CG 4.04Å; Y400-L404 HydrophobicContact CE2-CD1 4.04Å; Y400-L404 HydrophobicContact CE2-CD2 3.94Å; Y400-L404 HydrophobicContact CE2-CG 3.76Å; Y400-L404 PolarHBondContact O-N 2.82Å; A401-L404 PolarHBondContact O-N 3.24Å; L404-G407 PolarHBondContact O-N 2.88Å; L404-S408 PolarHBondContact O-N 3.33Å; L404-I428 HydrophobicContact CD1-CG2 3.92Å; L404-Y475 HydrophobicContact CD2-CD2 4.49Å; L404-I478 HydrophobicContact CD2-CD1 3.77Å
405	V	89.5	Confident	87.7	Confident	27 Å²	27	20.9 Å²	20.9	16%	0.164	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-46.2	-178.6	170.3	0	0	0	0	110.2	T349 L352 A401 S408 F410	T349-V405 HydrophobicContact CG2-CG1 4.47Å; L352-V405 HydrophobicContact CD1-CG2 4.21Å; A401-V405 WeakPolarHBondContact O-CB 3.27Å; A401-V405 VanDerWaalsContact O-CG2 3.23Å; A401-V405 WeakPolarHBondContact O-CG2 3.46Å; A401-V405 PolarHBondContact O-N 3.22Å; V405-S408 PolarHBondContact O-N 3.35Å; V405-S408 PolarHBondContact O-OG 2.94Å; V405-F410 HydrophobicContact CG1-CB 3.78Å; V405-F410 HydrophobicContact CG1-CD1 3.38Å; V405-F410 HydrophobicContact CG1-CE1 4.33Å; V405-F410 HydrophobicContact CG1-CG 3.95Å; V405-F410 WeakPolarHBondContact O-CB 3.34Å; V405-F410 PolarHBondContact O-N 2.99Å
406	L	89.1	Confident	86.8	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-67.2	-40.4	177.8	-166.3	67.3	0	0	0	111.9	T349 S402 S408 G409 I412 F496 M542	T349-L406 HydrophobicContact CG2-CB 4.45Å; T349-L406 HydrophobicContact CG2-CD1 4.32Å; S402-L406 VanDerWaalsContact O-CB 3.26Å; S402-L406 WeakPolarHBondContact O-CB 3.25Å; S402-L406 PolarHBondContact O-N 3.25Å; L406-S408 VanDerWaalsContact C-N 3.3Å; L406-S408 PolarHBondContact O-N 3.07Å; L406-G409 PolarHBondContact O-N 3.46Å; L406-I412 HydrophobicContact CD1-CD1 3.59Å; L406-I412 HydrophobicContact CD1-CG1 4Å; L406-I412 HydrophobicContact CG-CD1 4.06Å; L406-F496 HydrophobicContact CB-CE1 4.39Å; L406-F496 HydrophobicContact CB-CZ 4Å; L406-F496 HydrophobicContact CD2-CD2 4.27Å; L406-F496 HydrophobicContact CD2-CE1 4.49Å; L406-F496 HydrophobicContact CD2-CE2 3.56Å; L406-F496 HydrophobicContact CD2-CZ 3.67Å; L406-F496 HydrophobicContact CG-CE1 4.43Å; L406-F496 HydrophobicContact CG-CE2 4.33Å; L406-F496 HydrophobicContact CG-CZ 4.02Å; L406-M542 HydrophobicContact CD2-CE 4.25Å; L406-M542 HydrophobicContact CD2-SD 3.76Å
407	G	90.2	Very high	86	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-29	177.2	0	0	0	0	0	114.2	L403 L404 G409 T482	L403-G407 WeakPolarHBondContact O-CA 3.03Å; L403-G407 PolarHBondContact O-N 3.49Å; L404-G407 PolarHBondContact O-N 2.88Å; G407-G409 PolarHBondContact O-N 3.43Å; G407-T482 PolarHBondContact O-OG1 2.92Å
408	S	89.5	Confident	85.5	Confident	7 Å²	7	32.9 Å²	32.9	5%	0.049	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.1	172.1	77.4	0	0	0	0	113.9	L404 V405 L406 F410 H414 T482	L404-S408 PolarHBondContact O-N 3.33Å; V405-S408 PolarHBondContact O-N 3.35Å; V405-S408 PolarHBondContact O-OG 2.94Å; L406-S408 VanDerWaalsContact C-N 3.3Å; L406-S408 PolarHBondContact O-N 3.07Å; S408-F410 VanDerWaalsContact C-N 3.32Å; S408-F410 PolarHBondContact OG-N 3.49Å; S408-H414 PolarHBondContact O-ND1 3.42Å; S408-T482 PolarHBondContact O-OG1 2.87Å
409	G	86.3	Confident	85.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	16.1	-174.4	0	0	0	0	0	113.9	L406 G407 T411 I412 V413 H414	L406-G409 PolarHBondContact O-N 3.46Å; G407-G409 PolarHBondContact O-N 3.43Å; G409-T411 PolarHBondContact O-N 3.17Å; G409-I412 PolarHBondContact O-N 3.06Å; G409-I412 VanDerWaalsContact O-N 3.08Å; G409-V413 PolarHBondContact O-N 3.21Å; G409-H414 PolarHBondContact O-N 3.32Å; G409-H414 VanDerWaalsContact O-N 3.12Å
410	F	80.1	Confident	84.8	Confident	46 Å²	46	46 Å²	46	20%	0.202	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-58.6	133.7	169.1	-177	-115.8	0	0	0	109.3	P348 V405 S408 I412 V417	P348-F410 HydrophobicContact CB-CE1 4.3Å; P348-F410 HydrophobicContact CG-CE1 4.29Å; V405-F410 HydrophobicContact CG1-CB 3.78Å; V405-F410 HydrophobicContact CG1-CD1 3.38Å; V405-F410 HydrophobicContact CG1-CE1 4.33Å; V405-F410 HydrophobicContact CG1-CG 3.95Å; V405-F410 WeakPolarHBondContact O-CB 3.34Å; V405-F410 PolarHBondContact O-N 2.99Å; S408-F410 VanDerWaalsContact C-N 3.32Å; S408-F410 PolarHBondContact OG-N 3.49Å; F410-I412 PolarHBondContact O-N 2.98Å; F410-V417 HydrophobicContact CB-CG2 4.16Å; F410-V417 HydrophobicContact CD2-CG2 3.66Å; F410-V417 HydrophobicContact CG-CG2 4.31Å
411	T	76	Confident	84.4	Confident	33 Å²	33	49.8 Å²	49.8	20%	0.202	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-21.6	-170	69.6	0	0	0	0	116	H347 G409 H414 F555	H347-T411 HydrophobicContact CB-CG2 4.36Å; G409-T411 PolarHBondContact O-N 3.17Å; T411-H414 PolarHBondContact N-O 3.1Å; T411-F555 WeakPolarHBondContact O-CD1 3.5Å; T411-F555 WeakPolarHBondContact O-CE1 3.04Å
412	I	77.4	Confident	84.1	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.036	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-52.1	180	-38.7	-157.5	0	0	0	111.6	L406 G409 F410 K489 F492 F493 F555	L406-I412 HydrophobicContact CD1-CD1 3.59Å; L406-I412 HydrophobicContact CD1-CG1 4Å; L406-I412 HydrophobicContact CG-CD1 4.06Å; G409-I412 PolarHBondContact O-N 3.06Å; G409-I412 VanDerWaalsContact O-N 3.08Å; F410-I412 PolarHBondContact O-N 2.98Å; I412-K489 HydrophobicContact CG2-CD 3.69Å; I412-K489 PolarHBondContact O-NZ 3.19Å; I412-F492 HydrophobicContact CD1-CD1 4.18Å; I412-F492 HydrophobicContact CD1-CE1 3.23Å; I412-F492 HydrophobicContact CD1-CZ 3.56Å; I412-F492 HydrophobicContact CG2-CE1 4.5Å; I412-F493 HydrophobicContact CB-CZ 4.43Å; I412-F493 HydrophobicContact CD1-CE1 4.32Å; I412-F493 HydrophobicContact CD1-CZ 4.23Å; I412-F493 HydrophobicContact CG2-CZ 4.32Å; I412-F555 HydrophobicContact CB-CE1 3.82Å; I412-F555 HydrophobicContact CB-CE2 4.31Å; I412-F555 HydrophobicContact CB-CZ 3.68Å; I412-F555 HydrophobicContact CD1-CE2 4.19Å; I412-F555 HydrophobicContact CD1-CZ 3.65Å; I412-F555 HydrophobicContact CG1-CE1 3.72Å; I412-F555 HydrophobicContact CG1-CE2 4.18Å; I412-F555 HydrophobicContact CG1-CZ 3.31Å; I412-F555 HydrophobicContact CG2-CD2 4.3Å; I412-F555 HydrophobicContact CG2-CE1 4.07Å; I412-F555 HydrophobicContact CG2-CE2 3.75Å; I412-F555 HydrophobicContact CG2-CZ 3.65Å
413	V	80.7	Confident	83.9	Confident	35 Å²	35	59.3 Å²	59.3	21%	0.212	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-43.2	-169.3	175.4	0	0	0	0	110	G409 W486 K489 F493	G409-V413 PolarHBondContact O-N 3.21Å; V413-W486 HydrophobicContact CB-CG 4.47Å; V413-W486 HydrophobicContact CG1-CB 4.05Å; V413-W486 HydrophobicContact CG1-CD2 3.17Å; V413-W486 HydrophobicContact CG1-CE3 3.69Å; V413-W486 HydrophobicContact CG1-CG 3.35Å; V413-W486 HydrophobicContact CG1-CH2 4.26Å; V413-W486 HydrophobicContact CG1-CZ2 3.82Å; V413-W486 HydrophobicContact CG1-CZ3 4.2Å; V413-W486 HydrophobicContact CG2-CB 4.38Å; V413-W486 HydrophobicContact CG2-CG 4.44Å; V413-K489 HydrophobicContact CG2-CD 4.12Å; V413-F493 HydrophobicContact CG2-CE2 3.83Å; V413-F493 HydrophobicContact CG2-CZ 3.99Å
414	H	76.4	Confident	83.8	Confident	39 Å²	39	61.4 Å²	61.4	18%	0.181	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-103.1	126	179.9	-51.7	100.8	0	0	0	109.5	S408 G409 T411 M416 W486	S408-H414 PolarHBondContact O-ND1 3.42Å; G409-H414 PolarHBondContact O-N 3.32Å; G409-H414 VanDerWaalsContact O-N 3.12Å; T411-H414 PolarHBondContact N-O 3.1Å; H414-M416 VanDerWaalsContact C-N 3.33Å; H414-W486 AromaticContact CD2-CZ2 3.79Å; H414-W486 AromaticContact CE1-CD1 3.97Å; H414-W486 AromaticContact CE1-NE1 3.2Å; H414-W486 PolarHBondContact CE1-NE1 3.44Å; H414-W486 AromaticContact NE2-CE2 3.46Å; H414-W486 AromaticContact NE2-CZ2 3.44Å; H414-W486 WeakPolarHBondContact NE2-CZ2 3.34Å; H414-W486 AromaticContact NE2-NE1 2.98Å; H414-W486 PolarHBondContact NE2-NE1 3.43Å
415	Q	70.5	Confident	83.6	Confident	182 Å²	182	62.7 Å²	62.7	85%	0.85	32%	0.316	S	S	*	.	S	Bend	trans	-72.2	-32.4	169	-169.3	175.4	5.6	0	0	111.2
416	M	75	Confident	83.6	Confident	158 Å²	158	66.9 Å²	66.9	78%	0.778	34%	0.337	S	S	*	.	S	Bend	trans	-135.9	134.8	174.6	-63.8	-173.6	-179	0	0	109.8	H414	H414-M416 VanDerWaalsContact C-N 3.33Å
417	V	77.8	Confident	83.7	Confident	28 Å²	28	71.7 Å²	71.7	17%	0.17	36%	0.361	C	S	.	.			trans	-91.4	132.3	173.6	169.7	0	0	0	0	107.9	F410 R419 H421 M422 F425	F410-V417 HydrophobicContact CB-CG2 4.16Å; F410-V417 HydrophobicContact CD2-CG2 3.66Å; F410-V417 HydrophobicContact CG-CG2 4.31Å; V417-R419 PolarHBondContact O-N 3.41Å; V417-H421 HydrophobicContact CG1-CB 3.65Å; V417-M422 HydrophobicContact CG1-CB 4.27Å; V417-F425 HydrophobicContact CG1-CE2 4.12Å
418	P	84.6	Confident	83.9	Confident	73 Å²	73	74.6 Å²	74.6	47%	0.474	38%	0.375	S	S	.	.			trans	-56.3	139.6	177	22.8	-34.2	0	0	0	110.8	N420 H421 M422	P418-N420 PolarHBondContact O-N 2.95Å; P418-H421 HydrophobicContact CG-CB 4.16Å; P418-H421 WeakPolarHBondContact CG-ND1 3.29Å; P418-H421 PolarHBondContact O-N 2.82Å; P418-M422 PolarHBondContact O-N 3.07Å; P418-M422 VanDerWaalsContact O-N 3.15Å
419	R	86.2	Confident	84	Confident	191 Å²	191	75.1 Å²	75.1	72%	0.721	38%	0.379	S	S	*	.	H	α-helix	trans	-47.5	-42	-173.3	-173	176.5	69.4	179.6	1.2	113.3	V417 H421 M422 I423	V417-R419 PolarHBondContact O-N 3.41Å; R419-H421 PolarHBondContact O-N 3.1Å; R419-M422 PolarHBondContact O-N 2.79Å; R419-I423 HydrophobicContact CG-CD1 3.82Å; R419-I423 HydrophobicContact CG-CG1 4.37Å; R419-I423 WeakPolarHBondContact O-CG1 3.27Å; R419-I423 PolarHBondContact O-N 2.97Å
420	N	87.7	Confident	84.2	Confident	118 Å²	118	79.3 Å²	79.3	63%	0.631	40%	0.401	S	S	*	.	H	α-helix	trans	-62.9	-39.4	-178.6	-62.3	2.3	0	0	0	112.5	P418 A424	P418-N420 PolarHBondContact O-N 2.95Å; N420-A424 WeakPolarHBondContact O-CB 3.21Å; N420-A424 PolarHBondContact O-N 2.72Å
421	H	85.8	Confident	84.8	Confident	81 Å²	81	80.4 Å²	80.4	38%	0.375	41%	0.412	S	S	.	.	H	α-helix	trans	-73.3	-37.8	177.7	-67.9	65.1	0	0	0	110.9	V417 P418 R419 A424 F425	V417-H421 HydrophobicContact CG1-CB 3.65Å; P418-H421 HydrophobicContact CG-CB 4.16Å; P418-H421 WeakPolarHBondContact CG-ND1 3.29Å; P418-H421 PolarHBondContact O-N 2.82Å; R419-H421 PolarHBondContact O-N 3.1Å; H421-A424 PolarHBondContact O-N 3.21Å; H421-F425 HydrophobicContact CB-CE2 4.17Å; H421-F425 HydrophobicContact CB-CZ 4.24Å; H421-F425 VanDerWaalsContact O-CD2 3.25Å; H421-F425 WeakPolarHBondContact O-CD2 3.39Å; H421-F425 WeakPolarHBondContact O-CG 3.29Å; H421-F425 PolarHBondContact O-N 2.9Å
422	M	85.9	Confident	85.7	Confident	126 Å²	126	79 Å²	79	62%	0.621	40%	0.403	S	S	*	.	H	α-helix	trans	-61.1	-45.9	175.5	-170.1	-174.5	-160.5	0	0	111.7	V417 P418 R419 A424 F425 L426	V417-M422 HydrophobicContact CG1-CB 4.27Å; P418-M422 PolarHBondContact O-N 3.07Å; P418-M422 VanDerWaalsContact O-N 3.15Å; R419-M422 PolarHBondContact O-N 2.79Å; M422-A424 VanDerWaalsContact C-N 3.35Å; M422-F425 PolarHBondContact O-N 3.2Å; M422-L426 WeakPolarHBondContact O-CB 3.13Å; M422-L426 PolarHBondContact O-N 2.64Å
423	I	88.4	Confident	86.4	Confident	89 Å²	89	81.2 Å²	81.2	46%	0.456	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-45.5	174.9	-67	167.7	0	0	0	109.9	R419 F425 L426 M427	R419-I423 HydrophobicContact CG-CD1 3.82Å; R419-I423 HydrophobicContact CG-CG1 4.37Å; R419-I423 WeakPolarHBondContact O-CG1 3.27Å; R419-I423 PolarHBondContact O-N 2.97Å; I423-F425 PolarHBondContact O-N 2.91Å; I423-L426 PolarHBondContact O-N 3.2Å; I423-M427 HydrophobicContact CG2-CG 4.29Å; I423-M427 VanDerWaalsContact O-CG 3.31Å; I423-M427 WeakPolarHBondContact O-CG 3.49Å; I423-M427 PolarHBondContact O-N 2.98Å
424	A	89.8	Confident	86.9	Confident	46 Å²	46	84.2 Å²	84.2	38%	0.38	43%	0.431	S	S	.	.	H	α-helix	trans	-58.8	-45.1	177.7	0	0	0	0	0	112.5	N420 H421 M422 L426 M427 I428	N420-A424 WeakPolarHBondContact O-CB 3.21Å; N420-A424 PolarHBondContact O-N 2.72Å; H421-A424 PolarHBondContact O-N 3.21Å; M422-A424 VanDerWaalsContact C-N 3.35Å; A424-L426 PolarHBondContact O-N 3.34Å; A424-M427 PolarHBondContact O-N 3.04Å; A424-I428 VanDerWaalsContact O-CG1 3.29Å; A424-I428 WeakPolarHBondContact O-CG1 3.43Å; A424-I428 PolarHBondContact O-N 3.39Å
425	F	88.7	Confident	87.7	Confident	27 Å²	27	85.4 Å²	85.4	12%	0.118	44%	0.438	C	S	.	.	H	α-helix	trans	-65.4	-37.9	177.6	-59.2	-28.9	0	0	0	112.7	V417 H421 M422 I423 S429 I478	V417-F425 HydrophobicContact CG1-CE2 4.12Å; H421-F425 HydrophobicContact CB-CE2 4.17Å; H421-F425 HydrophobicContact CB-CZ 4.24Å; H421-F425 VanDerWaalsContact O-CD2 3.25Å; H421-F425 WeakPolarHBondContact O-CD2 3.39Å; H421-F425 WeakPolarHBondContact O-CG 3.29Å; H421-F425 PolarHBondContact O-N 2.9Å; M422-F425 PolarHBondContact O-N 3.2Å; I423-F425 PolarHBondContact O-N 2.91Å; F425-S429 VanDerWaalsContact O-CB 3.31Å; F425-S429 WeakPolarHBondContact O-CB 3.3Å; F425-S429 PolarHBondContact O-N 3.41Å; F425-S429 PolarHBondContact O-OG 3.43Å; F425-I478 HydrophobicContact CD1-CD1 3.92Å; F425-I478 HydrophobicContact CE1-CD1 3.61Å; F425-I478 HydrophobicContact CE1-CG1 3.94Å; F425-I478 HydrophobicContact CE1-CG2 4.14Å; F425-I478 HydrophobicContact CZ-CG2 4.18Å
426	L	89.5	Confident	88.8	Confident	115 Å²	115	76.7 Å²	76.7	60%	0.602	40%	0.397	S	S	*	.	H	α-helix	trans	-63.2	-46.1	174.7	-179.1	66	0	0	0	111	M422 I423 A424 S429 L430	M422-L426 WeakPolarHBondContact O-CB 3.13Å; M422-L426 PolarHBondContact O-N 2.64Å; I423-L426 PolarHBondContact O-N 3.2Å; A424-L426 PolarHBondContact O-N 3.34Å; L426-S429 PolarHBondContact O-N 3.07Å; L426-L430 WeakPolarHBondContact O-CB 3.33Å; L426-L430 PolarHBondContact O-N 3.45Å
427	M	91.9	Very high	89.5	Confident	105 Å²	105	71.9 Å²	71.9	52%	0.517	37%	0.374	S	S	.	.	H	α-helix	trans	-61.6	-47.9	177.8	-68.4	-55.4	-64.9	0	0	111.4	I423 A424 S429 L430 T431	I423-M427 HydrophobicContact CG2-CG 4.29Å; I423-M427 VanDerWaalsContact O-CG 3.31Å; I423-M427 WeakPolarHBondContact O-CG 3.49Å; I423-M427 PolarHBondContact O-N 2.98Å; A424-M427 PolarHBondContact O-N 3.04Å; M427-S429 VanDerWaalsContact C-N 3.31Å; M427-S429 PolarHBondContact O-N 3.01Å; M427-L430 PolarHBondContact O-N 2.94Å; M427-T431 WeakPolarHBondContact O-CB 3.14Å; M427-T431 PolarHBondContact O-N 3.25Å; M427-T431 PolarHBondContact O-OG1 2.77Å; M427-T431 VanDerWaalsContact O-OG1 3.05Å
428	I	93	Very high	90	Very high	60 Å²	60	74.2 Å²	74.2	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-58.3	-44.6	176.5	-68.4	166.4	0	0	0	110.9	Y400 L404 A424 H432	Y400-I428 HydrophobicContact CE1-CG2 4.27Å; Y400-I428 WeakPolarHBondContact OH-CG2 3.34Å; L404-I428 HydrophobicContact CD1-CG2 3.92Å; A424-I428 VanDerWaalsContact O-CG1 3.29Å; A424-I428 WeakPolarHBondContact O-CG1 3.43Å; A424-I428 PolarHBondContact O-N 3.39Å; I428-H432 WeakPolarHBondContact O-CB 3.23Å; I428-H432 PolarHBondContact O-N 3.22Å
429	S	91.5	Very high	90.2	Very high	18 Å²	18	71 Å²	71	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-67.3	-42.6	-179.6	-57.2	0	0	0	0	111.9	F425 L426 M427 H432 V433	F425-S429 VanDerWaalsContact O-CB 3.31Å; F425-S429 WeakPolarHBondContact O-CB 3.3Å; F425-S429 PolarHBondContact O-N 3.41Å; F425-S429 PolarHBondContact O-OG 3.43Å; L426-S429 PolarHBondContact O-N 3.07Å; M427-S429 VanDerWaalsContact C-N 3.31Å; M427-S429 PolarHBondContact O-N 3.01Å; S429-H432 PolarHBondContact O-N 2.93Å; S429-V433 VanDerWaalsContact O-CG2 3.23Å; S429-V433 WeakPolarHBondContact O-CG2 3.42Å; S429-V433 PolarHBondContact O-N 3.5Å
430	L	91.5	Very high	90.3	Very high	88 Å²	88	62.6 Å²	62.6	46%	0.461	34%	0.339	S	S	.	.	H	α-helix	trans	-67.2	-43	179.5	-177.8	62.8	0	0	0	111.8	L426 M427 H432 V433 L434	L426-L430 WeakPolarHBondContact O-CB 3.33Å; L426-L430 PolarHBondContact O-N 3.45Å; M427-L430 PolarHBondContact O-N 2.94Å; L430-H432 VanDerWaalsContact C-N 3.3Å; L430-H432 PolarHBondContact O-N 2.95Å; L430-V433 PolarHBondContact O-N 2.95Å; L430-L434 HydrophobicContact CD1-CD1 4.49Å; L430-L434 HydrophobicContact CD1-CG 4.46Å; L430-L434 HydrophobicContact CG-CD1 4.22Å; L430-L434 WeakPolarHBondContact O-CG 3.4Å; L430-L434 PolarHBondContact O-N 3.04Å
431	T	93	Very high	90	Very high	70 Å²	70	59.8 Å²	59.8	43%	0.429	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-43.1	173.8	-60.2	0	0	0	0	110.9	M427 L434 I435	M427-T431 WeakPolarHBondContact O-CB 3.14Å; M427-T431 PolarHBondContact O-N 3.25Å; M427-T431 PolarHBondContact O-OG1 2.77Å; M427-T431 VanDerWaalsContact O-OG1 3.05Å; T431-L434 PolarHBondContact O-N 3.46Å; T431-I435 HydrophobicContact CG2-CD1 3.74Å; T431-I435 HydrophobicContact CG2-CG1 4.44Å; T431-I435 WeakPolarHBondContact O-CG1 3.32Å; T431-I435 PolarHBondContact O-N 3.12Å
432	H	93.7	Very high	89.8	Confident	4 Å²	4	58 Å²	58	2%	0.019	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-44.8	174.9	178	98.3	0	0	0	112.1	S397 Y400 I428 S429 L430 L434 N436 L467 S471	S397-H432 PolarHBondContact OG-CD2 3.43Å; Y400-H432 HydrophobicContact CD1-CB 4Å; Y400-H432 AromaticContact CD1-CD2 3.65Å; Y400-H432 AromaticContact CD1-CG 3.55Å; Y400-H432 AromaticContact CD1-ND1 3.82Å; Y400-H432 AromaticContact CD1-NE2 3.99Å; Y400-H432 HydrophobicContact CE1-CB 3.8Å; Y400-H432 AromaticContact CE1-CG 3.73Å; Y400-H432 AromaticContact CE1-ND1 3.88Å; I428-H432 WeakPolarHBondContact O-CB 3.23Å; I428-H432 PolarHBondContact O-N 3.22Å; S429-H432 PolarHBondContact O-N 2.93Å; L430-H432 VanDerWaalsContact C-N 3.3Å; L430-H432 PolarHBondContact O-N 2.95Å; H432-L434 PolarHBondContact O-N 3.28Å; H432-N436 WeakPolarHBondContact O-CB 3.34Å; H432-N436 PolarHBondContact O-N 2.82Å; H432-L467 HydrophobicContact CB-CD1 4.45Å; H432-S471 PolarHBondContact ND1-OG 2.65Å
433	V	92.5	Very high	89.6	Confident	53 Å²	53	52.7 Å²	52.7	32%	0.321	29%	0.294	S	S	.	.	H	α-helix	trans	-56.8	-50.9	176.1	171.2	0	0	0	0	111	S397 S429 L430 N436 L437	S397-V433 VanDerWaalsContact CB-CG2 3.42Å; S429-V433 VanDerWaalsContact O-CG2 3.23Å; S429-V433 WeakPolarHBondContact O-CG2 3.42Å; S429-V433 PolarHBondContact O-N 3.5Å; L430-V433 PolarHBondContact O-N 2.95Å; V433-N436 PolarHBondContact O-N 2.96Å; V433-L437 VanDerWaalsContact O-CB 3.27Å; V433-L437 WeakPolarHBondContact O-CB 3.49Å; V433-L437 PolarHBondContact O-N 3.36Å
434	L	91.5	Very high	88.8	Confident	97 Å²	97	49.8 Å²	49.8	51%	0.508	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-47.5	-175.6	-70.1	170.4	0	0	0	112	L430 T431 H432 L437 C438	L430-L434 HydrophobicContact CD1-CD1 4.49Å; L430-L434 HydrophobicContact CD1-CG 4.46Å; L430-L434 HydrophobicContact CG-CD1 4.22Å; L430-L434 WeakPolarHBondContact O-CG 3.4Å; L430-L434 PolarHBondContact O-N 3.04Å; T431-L434 PolarHBondContact O-N 3.46Å; H432-L434 PolarHBondContact O-N 3.28Å; L434-L437 PolarHBondContact O-N 3.08Å; L434-C438 PolarHBondContact O-N 2.92Å; L434-C438 VanDerWaalsContact O-N 3.07Å; L434-C438 PolarHBondContact O-SG 3.37Å; L434-C438 VanDerWaalsContact O-SG 3.33Å
435	I	93.1	Very high	87.9	Confident	64 Å²	64	52.7 Å²	52.7	33%	0.328	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-44.2	179.6	-60.8	171.3	0	0	0	110.3	T431 L437 C438 C439 V463 L467	T431-I435 HydrophobicContact CG2-CD1 3.74Å; T431-I435 HydrophobicContact CG2-CG1 4.44Å; T431-I435 WeakPolarHBondContact O-CG1 3.32Å; T431-I435 PolarHBondContact O-N 3.12Å; I435-L437 VanDerWaalsContact C-N 3.33Å; I435-L437 PolarHBondContact O-N 3.49Å; I435-C438 PolarHBondContact O-N 2.9Å; I435-C439 WeakPolarHBondContact O-CB 3.48Å; I435-C439 PolarHBondContact O-N 2.74Å; I435-C439 PolarHBondContact O-SG 2.91Å; I435-C439 VanDerWaalsContact O-SG 3.38Å; I435-V463 HydrophobicContact CG2-CG1 4.18Å; I435-L467 HydrophobicContact CB-CD1 4.19Å; I435-L467 HydrophobicContact CB-CD2 4.04Å; I435-L467 HydrophobicContact CD1-CD1 4.2Å; I435-L467 HydrophobicContact CG2-CB 4.34Å; I435-L467 HydrophobicContact CG2-CD1 4.23Å; I435-L467 HydrophobicContact CG2-CD2 3.91Å; I435-L467 HydrophobicContact CG2-CG 4.38Å
436	N	93.2	Very high	86.7	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.9	-45	177.3	-175.7	30.9	0	0	0	111.2	A393 S397 H432 V433 C439 Q440 Y464 L467	A393-N436 PolarHBondContact O-ND2 2.96Å; S397-N436 PolarHBondContact OG-ND2 3.17Å; H432-N436 WeakPolarHBondContact O-CB 3.34Å; H432-N436 PolarHBondContact O-N 2.82Å; V433-N436 PolarHBondContact O-N 2.96Å; N436-C439 PolarHBondContact O-N 2.95Å; N436-Q440 WeakPolarHBondContact O-CB 3.48Å; N436-Q440 WeakPolarHBondContact O-CG 3.28Å; N436-Q440 PolarHBondContact O-N 3.06Å; N436-Q440 WeakPolarHBondContact OD1-CG 3.26Å; N436-Y464 WeakPolarHBondContact OD1-CE2 3.48Å; N436-L467 HydrophobicContact CB-CD2 3.89Å
437	L	89.7	Confident	85.1	Confident	56 Å²	56	54.3 Å²	54.3	29%	0.293	30%	0.3	S	S	.	.	H	α-helix	trans	-59.5	-50.2	178.1	-166.9	69.4	0	0	0	111.7	L390 A393 V433 L434 I435 C439 Q440 I441	L390-L437 HydrophobicContact CB-CD1 4.42Å; L390-L437 HydrophobicContact CD2-CD1 3.39Å; L390-L437 HydrophobicContact CD2-CG 4.1Å; L390-L437 HydrophobicContact CG-CD1 4.49Å; A393-L437 HydrophobicContact CB-CD1 4.12Å; V433-L437 VanDerWaalsContact O-CB 3.27Å; V433-L437 WeakPolarHBondContact O-CB 3.49Å; V433-L437 PolarHBondContact O-N 3.36Å; L434-L437 PolarHBondContact O-N 3.08Å; I435-L437 VanDerWaalsContact C-N 3.33Å; I435-L437 PolarHBondContact O-N 3.49Å; L437-C439 PolarHBondContact O-N 2.64Å; L437-Q440 PolarHBondContact O-N 2.95Å; L437-I441 HydrophobicContact CG-CD1 3.97Å; L437-I441 VanDerWaalsContact O-CG1 3.26Å; L437-I441 WeakPolarHBondContact O-CG1 3.3Å; L437-I441 PolarHBondContact O-N 3.48Å
438	C	88.7	Confident	83.3	Confident	78 Å²	78	52 Å²	52	53%	0.527	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-47.3	177.3	-68.8	0	0	0	0	111.5	L434 I435 Q440 I441 S442	L434-C438 PolarHBondContact O-N 2.92Å; L434-C438 VanDerWaalsContact O-N 3.07Å; L434-C438 PolarHBondContact O-SG 3.37Å; L434-C438 VanDerWaalsContact O-SG 3.33Å; I435-C438 PolarHBondContact O-N 2.9Å; C438-Q440 PolarHBondContact O-N 3.45Å; C438-I441 PolarHBondContact O-N 3.25Å; C438-S442 VanDerWaalsContact O-CB 3.31Å; C438-S442 WeakPolarHBondContact O-CB 3.36Å; C438-S442 PolarHBondContact O-N 2.95Å; C438-S442 PolarHBondContact O-OG 3.15Å
439	C	89.7	Confident	81	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-58.2	-46	177.6	-77.9	0	0	0	0	112.2	I435 N436 L437 S442 M443 Y464	I435-C439 WeakPolarHBondContact O-CB 3.48Å; I435-C439 PolarHBondContact O-N 2.74Å; I435-C439 PolarHBondContact O-SG 2.91Å; I435-C439 VanDerWaalsContact O-SG 3.38Å; N436-C439 PolarHBondContact O-N 2.95Å; L437-C439 PolarHBondContact O-N 2.64Å; C439-S442 PolarHBondContact O-N 2.94Å; C439-M443 HydrophobicContact CB-CE 4.37Å; C439-M443 WeakPolarHBondContact O-CB 3.36Å; C439-M443 WeakPolarHBondContact O-CE 3.05Å; C439-M443 VanDerWaalsContact O-CG 3.28Å; C439-M443 WeakPolarHBondContact O-CG 3.44Å; C439-M443 PolarHBondContact O-N 3.41Å; C439-Y464 HydrophobicContact CB-CD2 4.3Å
440	Q	86.7	Confident	78.7	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.065	34%	0.34	C	S	.	.	H	α-helix	trans	-68.8	-42	-177.5	-66	-72.7	2	0	0	112	A393 N436 L437 C438 M443 G444	A393-Q440 HydrophobicContact CB-CB 4.15Å; A393-Q440 HydrophobicContact CB-CG 3.88Å; N436-Q440 WeakPolarHBondContact O-CB 3.48Å; N436-Q440 WeakPolarHBondContact O-CG 3.28Å; N436-Q440 PolarHBondContact O-N 3.06Å; N436-Q440 WeakPolarHBondContact OD1-CG 3.26Å; L437-Q440 PolarHBondContact O-N 2.95Å; C438-Q440 PolarHBondContact O-N 3.45Å; Q440-M443 HydrophobicContact CG-CE 4.38Å; Q440-M443 PolarHBondContact O-N 2.68Å; Q440-G444 PolarHBondContact O-N 3.23Å
441	I	82.7	Confident	76.8	Confident	58 Å²	58	58.8 Å²	58.8	30%	0.297	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-48.4	173.2	-65.1	166.4	0	0	0	110	L390 L437 C438 M443 G444 L445	L390-I441 HydrophobicContact CD2-CD1 3.51Å; L390-I441 HydrophobicContact CD2-CG1 3.54Å; L437-I441 HydrophobicContact CG-CD1 3.97Å; L437-I441 VanDerWaalsContact O-CG1 3.26Å; L437-I441 WeakPolarHBondContact O-CG1 3.3Å; L437-I441 PolarHBondContact O-N 3.48Å; C438-I441 PolarHBondContact O-N 3.25Å; I441-M443 VanDerWaalsContact C-N 3.35Å; I441-M443 PolarHBondContact O-N 2.89Å; I441-G444 PolarHBondContact O-N 3.49Å; I441-G444 VanDerWaalsContact O-N 3.14Å; I441-L445 HydrophobicContact CG2-CD1 3.54Å; I441-L445 HydrophobicContact CG2-CG 4.05Å; I441-L445 WeakPolarHBondContact O-CB 3.46Å; I441-L445 WeakPolarHBondContact O-CG 3.18Å; I441-L445 PolarHBondContact O-N 2.61Å
442	S	82.1	Confident	74.8	Confident	45 Å²	45	57.4 Å²	57.4	32%	0.315	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-39.4	179.9	-63.2	0	0	0	0	112.2	C438 C439 G444 L445 T446 S460	C438-S442 VanDerWaalsContact O-CB 3.31Å; C438-S442 WeakPolarHBondContact O-CB 3.36Å; C438-S442 PolarHBondContact O-N 2.95Å; C438-S442 PolarHBondContact O-OG 3.15Å; C439-S442 PolarHBondContact O-N 2.94Å; S442-G444 VanDerWaalsContact C-N 3.32Å; S442-G444 PolarHBondContact O-N 3.14Å; S442-L445 PolarHBondContact O-N 3.12Å; S442-T446 VanDerWaalsContact O-CB 3.28Å; S442-T446 WeakPolarHBondContact O-CB 3.36Å; S442-T446 VanDerWaalsContact O-CG2 3.31Å; S442-T446 WeakPolarHBondContact O-CG2 3.29Å; S442-T446 PolarHBondContact O-N 3.42Å; S442-T446 PolarHBondContact O-OG1 3.31Å; S442-S460 WeakPolarHBondContact CB-OG 3.36Å
443	M	80.1	Confident	73.3	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.069	34%	0.337	C	S	.	.	H	α-helix	trans	-67.2	-31.3	174.4	-74.1	-174.5	-66.2	0	0	112.7	C439 Q440 I441 Y464	C439-M443 HydrophobicContact CB-CE 4.37Å; C439-M443 WeakPolarHBondContact O-CB 3.36Å; C439-M443 WeakPolarHBondContact O-CE 3.05Å; C439-M443 VanDerWaalsContact O-CG 3.28Å; C439-M443 WeakPolarHBondContact O-CG 3.44Å; C439-M443 PolarHBondContact O-N 3.41Å; Q440-M443 HydrophobicContact CG-CE 4.38Å; Q440-M443 PolarHBondContact O-N 2.68Å; I441-M443 VanDerWaalsContact C-N 3.35Å; I441-M443 PolarHBondContact O-N 2.89Å; M443-Y464 HydrophobicContact CE-CD1 4.34Å; M443-Y464 HydrophobicContact CE-CG 4.31Å
444	G	73	Confident	72.2	Confident	27 Å²	27	60.6 Å²	60.6	28%	0.278	33%	0.327	S	S	.	.	H	α-helix	trans	-76.3	-35.5	175	0	0	0	0	0	113.7	Q440 I441 S442	Q440-G444 PolarHBondContact O-N 3.23Å; I441-G444 PolarHBondContact O-N 3.49Å; I441-G444 VanDerWaalsContact O-N 3.14Å; S442-G444 VanDerWaalsContact C-N 3.32Å; S442-G444 PolarHBondContact O-N 3.14Å
445	L	70.1	Confident	71.4	Confident	107 Å²	107	58.8 Å²	58.8	56%	0.56	31%	0.313	S	S	*	.	H	α-helix	trans	-83.8	-35	-179.4	-69.6	178.8	0	0	0	113.4	I441 S442 R447	I441-L445 HydrophobicContact CG2-CD1 3.54Å; I441-L445 HydrophobicContact CG2-CG 4.05Å; I441-L445 WeakPolarHBondContact O-CB 3.46Å; I441-L445 WeakPolarHBondContact O-CG 3.18Å; I441-L445 PolarHBondContact O-N 2.61Å; S442-L445 PolarHBondContact O-N 3.12Å; L445-R447 PolarHBondContact O-N 2.85Å
446	T	63.6	Low	70.6	Confident	76 Å²	76	56 Å²	56	47%	0.466	30%	0.298	S	S	.	.	S	Bend	trans	-78	67.9	175.8	57.9	0	0	0	0	108.9	S442 Y448	S442-T446 VanDerWaalsContact O-CB 3.28Å; S442-T446 WeakPolarHBondContact O-CB 3.36Å; S442-T446 VanDerWaalsContact O-CG2 3.31Å; S442-T446 WeakPolarHBondContact O-CG2 3.29Å; S442-T446 PolarHBondContact O-N 3.42Å; S442-T446 PolarHBondContact O-OG1 3.31Å; T446-Y448 PolarHBondContact O-N 3.43Å
447	R	56.6	Low	70	Confident	101 Å²	101	57.4 Å²	57.4	38%	0.381	31%	0.305	S	S	.	.			trans	-70.3	86.8	178.6	-147	171	-170.5	-173	2.2	108.5	E38 F380 L445 E449	E38-R447 IonicContact OE1-NH2 2.65Å; E38-R447 PolarHBondContact OE1-NH2 3.01Å; E38-R447 IonicContact OE2-CZ 3.36Å; E38-R447 IonicContact OE2-NH2 2.7Å; E38-R447 PolarHBondContact OE2-NH2 2.85Å; F380-R447 VanDerWaalsContact CD2-NH2 3.3Å; F380-R447 VanDerWaalsContact CG-NH1 3.25Å; L445-R447 PolarHBondContact O-N 2.85Å; R447-E449 PolarHBondContact O-N 3.46Å
448	Y	53.3	Low	69.4	Low	56 Å²	56	55.8 Å²	55.8	22%	0.22	30%	0.298	C	S	.	.			trans	50.9	48	162.6	-58.4	-77.3	0	0	0	117.4	Y52 K55 T446 V450	Y52-Y448 PolarHBondContact OH-O 3.42Å; K55-Y448 VanDerWaalsContact CE-CG 3.47Å; T446-Y448 PolarHBondContact O-N 3.43Å; Y448-V450 PolarHBondContact O-N 3.38Å
449	E	44.5	Very low	69.2	Low	175 Å²	175	57.1 Å²	57.1	82%	0.818	31%	0.306	S	S	*	.			trans	-74.5	117	159.5	-67.3	-171.5	176.4	0	0	108.8	R447	R447-E449 PolarHBondContact O-N 3.46Å
450	V	44.2	Very low	69.1	Low	121 Å²	121	58 Å²	58	73%	0.733	31%	0.312	S	S	*	.	S	Bend	trans	79.3	98.2	168.3	-153.6	0	0	0	0	116.8	Y52 Y448	Y52-V450 WeakPolarHBondContact OH-CA 3.31Å; Y52-V450 PolarHBondContact OH-N 3.48Å; Y448-V450 PolarHBondContact O-N 3.38Å
451	G	49.9	Very low	69.1	Low	12 Å²	12	57.3 Å²	57.3	12%	0.124	31%	0.309	C	S	.	.	S	Bend	trans	98.7	155.5	162.2	0	0	0	0	0	115.6	F453	G451-F453 PolarHBondContact O-N 3.07Å
452	V	52.8	Low	69.4	Low	42 Å²	42	59.7 Å²	59.7	26%	0.255	32%	0.315	S	S	.	.	S	Bend	trans	-73.2	27.6	-175.2	-174.4	0	0	0	0	112.1	F259	F259-V452 HydrophobicContact CZ-CG2 4.15Å
453	F	61.8	Low	69.9	Low	108 Å²	108	61.4 Å²	61.4	47%	0.474	32%	0.323	S	S	.	.			trans	-96.7	139.5	-169	-55.2	-71.6	0	0	0	111.9	G451 H457	G451-F453 PolarHBondContact O-N 3.07Å; F453-H457 HydrophobicContact CB-CB 3.48Å; F453-H457 VanDerWaalsContact CB-CB 3.48Å; F453-H457 HydrophobicContact CG-CB 4.18Å
454	S	67.8	Low	70.4	Confident	15 Å²	15	61.2 Å²	61.2	11%	0.105	32%	0.322	C	S	.	.			trans	-52.7	153.4	168.9	175.8	0	0	0	0	110.7	Y456 H457 E524 I527	S454-Y456 PolarHBondContact O-N 2.92Å; S454-H457 WeakPolarHBondContact O-CB 3.46Å; S454-H457 PolarHBondContact O-N 2.84Å; S454-E524 WeakPolarHBondContact CA-OE1 3.18Å; S454-E524 VanDerWaalsContact CB-OE1 3.31Å; S454-E524 WeakPolarHBondContact CB-OE1 3.41Å; S454-E524 PolarHBondContact OG-OE1 3.05Å; S454-I527 WeakPolarHBondContact OG-CD1 3.3Å
455	R	74.9	Confident	71.4	Confident	60 Å²	60	61.6 Å²	61.6	23%	0.226	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-49.2	-27.4	-179.6	66.7	-173.1	-173.8	-170.9	-3	114.7	H457 S458 E524	R455-H457 VanDerWaalsContact C-N 3.26Å; R455-H457 PolarHBondContact O-N 2.87Å; R455-S458 WeakPolarHBondContact O-CB 3.11Å; R455-S458 PolarHBondContact O-N 2.99Å; R455-S458 PolarHBondContact O-OG 2.85Å; R455-E524 PolarHBondContact N-OE1 2.8Å; R455-E524 IonicContact NE-OE2 3.98Å
456	Y	77.9	Confident	72.5	Confident	5 Å²	5	58 Å²	58	2%	0.02	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-72.5	-13.9	178.9	-65.8	-80.5	0	0	0	114.6	S454 S458 G461 Y464 V507 W510 I527	S454-Y456 PolarHBondContact O-N 2.92Å; Y456-S458 VanDerWaalsContact C-N 3.33Å; Y456-G461 CarbonylContact O-C 3.11Å; Y456-G461 WeakPolarHBondContact O-CA 3.3Å; Y456-Y464 HydrophobicContact CD1-CD1 4.47Å; Y456-Y464 HydrophobicContact CE1-CD1 4.11Å; Y456-Y464 HydrophobicContact CE1-CE1 4.23Å; Y456-V507 HydrophobicContact CD1-CG1 4.35Å; Y456-V507 HydrophobicContact CE1-CG1 4.42Å; Y456-W510 HydrophobicContact CD2-CB 4.33Å; Y456-W510 HydrophobicContact CE2-CB 4.45Å; Y456-I527 HydrophobicContact CD2-CD1 4.27Å; Y456-I527 HydrophobicContact CE2-CD1 4.29Å; Y456-I527 HydrophobicContact CE2-CG2 3.66Å
457	H	79.2	Confident	74	Confident	29 Å²	29	55.3 Å²	55.3	13%	0.134	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-87.5	-3.2	172.8	-72.4	-74.1	0	0	0	113.7	F453 S454 R455 Y462 S514	F453-H457 HydrophobicContact CB-CB 3.48Å; F453-H457 VanDerWaalsContact CB-CB 3.48Å; F453-H457 HydrophobicContact CG-CB 4.18Å; S454-H457 WeakPolarHBondContact O-CB 3.46Å; S454-H457 PolarHBondContact O-N 2.84Å; R455-H457 VanDerWaalsContact C-N 3.26Å; R455-H457 PolarHBondContact O-N 2.87Å; H457-Y462 PolarHBondContact ND1-OH 3.17Å; H457-Y462 WeakPolarHBondContact O-CE2 3.23Å; H457-S514 PolarHBondContact NE2-OG 3.11Å
458	S	78.3	Confident	75.8	Confident	22 Å²	22	50.5 Å²	50.5	15%	0.154	27%	0.271	C	S	.	.	S	Bend	trans	-65.2	157.9	169.2	67.4	0	0	0	0	110.6	R455 Y456 S460 G461 Y462	R455-S458 WeakPolarHBondContact O-CB 3.11Å; R455-S458 PolarHBondContact O-N 2.99Å; R455-S458 PolarHBondContact O-OG 2.85Å; Y456-S458 VanDerWaalsContact C-N 3.33Å; S458-S460 PolarHBondContact O-N 2.82Å; S458-G461 WeakPolarHBondContact O-CA 3.48Å; S458-G461 PolarHBondContact O-N 2.96Å; S458-G461 PolarHBondContact OG-N 3.18Å; S458-Y462 WeakPolarHBondContact O-CD2 3.39Å; S458-Y462 PolarHBondContact O-N 2.85Å; S458-Y462 VanDerWaalsContact O-N 3.15Å
459	P	83.7	Confident	77.8	Confident	107 Å²	107	51.6 Å²	51.6	70%	0.695	28%	0.28	S	S	*	.	H	α-helix	trans	-50.7	-41.2	171.2	-27.9	35.5	0	0	0	112.6	G461 Y462 V463	P459-G461 VanDerWaalsContact C-N 3.33Å; P459-G461 PolarHBondContact O-N 2.86Å; P459-Y462 PolarHBondContact O-N 3.33Å; P459-V463 WeakPolarHBondContact O-CG2 3.04Å; P459-V463 PolarHBondContact O-N 3.18Å; P459-V463 VanDerWaalsContact O-N 3.12Å
460	S	87.1	Confident	80.2	Confident	23 Å²	23	47.4 Å²	47.4	16%	0.161	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-35.1	176.6	-55.6	0	0	0	0	113	S442 S458 V463 Y464	S442-S460 WeakPolarHBondContact CB-OG 3.36Å; S458-S460 PolarHBondContact O-N 2.82Å; S460-V463 PolarHBondContact O-N 3.22Å; S460-Y464 WeakPolarHBondContact O-CB 3.49Å; S460-Y464 PolarHBondContact O-N 3.45Å
461	G	87.4	Confident	82.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-41.2	174.4	0	0	0	0	0	113.1	Y456 S458 P459 Y464 L465	Y456-G461 CarbonylContact O-C 3.11Å; Y456-G461 WeakPolarHBondContact O-CA 3.3Å; S458-G461 WeakPolarHBondContact O-CA 3.48Å; S458-G461 PolarHBondContact O-N 2.96Å; S458-G461 PolarHBondContact OG-N 3.18Å; P459-G461 VanDerWaalsContact C-N 3.33Å; P459-G461 PolarHBondContact O-N 2.86Å; G461-Y464 WeakPolarHBondContact O-CB 3.48Å; G461-Y464 PolarHBondContact O-N 2.8Å; G461-L465 PolarHBondContact O-N 3.22Å
462	Y	89.1	Confident	84.8	Confident	109 Å²	109	43.4 Å²	43.4	43%	0.427	24%	0.238	S	C	.	.	H	α-helix	trans	-67.7	-37.6	174.3	-67.8	-64.7	0	0	0	112.8	H457 S458 P459 Y464 L465 G466	H457-Y462 PolarHBondContact ND1-OH 3.17Å; H457-Y462 WeakPolarHBondContact O-CE2 3.23Å; S458-Y462 WeakPolarHBondContact O-CD2 3.39Å; S458-Y462 PolarHBondContact O-N 2.85Å; S458-Y462 VanDerWaalsContact O-N 3.15Å; P459-Y462 PolarHBondContact O-N 3.33Å; Y462-Y464 VanDerWaalsContact C-N 3.29Å; Y462-Y464 PolarHBondContact O-N 3.5Å; Y462-L465 WeakPolarHBondContact O-CB 3.29Å; Y462-L465 PolarHBondContact O-N 2.87Å; Y462-G466 PolarHBondContact O-N 3.2Å
463	V	91.7	Very high	86.9	Confident	81 Å²	81	46.8 Å²	46.8	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-40.7	172.2	176.8	0	0	0	0	110.4	I435 P459 S460 G466 L467	I435-V463 HydrophobicContact CG2-CG1 4.18Å; P459-V463 WeakPolarHBondContact O-CG2 3.04Å; P459-V463 PolarHBondContact O-N 3.18Å; P459-V463 VanDerWaalsContact O-N 3.12Å; S460-V463 PolarHBondContact O-N 3.22Å; V463-G466 PolarHBondContact O-N 3.14Å; V463-L467 PolarHBondContact O-N 2.83Å
464	Y	92.5	Very high	88.4	Confident	9 Å²	9	42.8 Å²	42.8	4%	0.035	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-39.9	176.8	-175.3	-118.3	0	0	0	112.7	N436 C439 M443 Y456 S460 G461 Y462 G466 L467 Q468 V507	N436-Y464 WeakPolarHBondContact OD1-CE2 3.48Å; C439-Y464 HydrophobicContact CB-CD2 4.3Å; M443-Y464 HydrophobicContact CE-CD1 4.34Å; M443-Y464 HydrophobicContact CE-CG 4.31Å; Y456-Y464 HydrophobicContact CD1-CD1 4.47Å; Y456-Y464 HydrophobicContact CE1-CD1 4.11Å; Y456-Y464 HydrophobicContact CE1-CE1 4.23Å; S460-Y464 WeakPolarHBondContact O-CB 3.49Å; S460-Y464 PolarHBondContact O-N 3.45Å; G461-Y464 WeakPolarHBondContact O-CB 3.48Å; G461-Y464 PolarHBondContact O-N 2.8Å; Y462-Y464 VanDerWaalsContact C-N 3.29Å; Y462-Y464 PolarHBondContact O-N 3.5Å; Y464-G466 VanDerWaalsContact C-N 3.35Å; Y464-G466 PolarHBondContact O-N 3.04Å; Y464-L467 HydrophobicContact CD2-CD2 4.33Å; Y464-L467 WeakPolarHBondContact O-CB 3.17Å; Y464-L467 PolarHBondContact O-N 2.84Å; Y464-Q468 PolarHBondContact O-N 2.87Å; Y464-V507 HydrophobicContact CD1-CG1 3.83Å; Y464-V507 HydrophobicContact CD1-CG2 4.14Å; Y464-V507 HydrophobicContact CE1-CB 4.39Å; Y464-V507 HydrophobicContact CE1-CG1 4.02Å; Y464-V507 HydrophobicContact CE1-CG2 3.46Å; Y464-V507 VanDerWaalsContact CE1-CG2 3.46Å
465	L	92.8	Very high	89.7	Confident	35 Å²	35	42.1 Å²	42.1	18%	0.183	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-47.7	170.2	173.1	64.7	0	0	0	111.3	G461 Y462 L467 Q468 L469 V507 P508 I511	G461-L465 PolarHBondContact O-N 3.22Å; Y462-L465 WeakPolarHBondContact O-CB 3.29Å; Y462-L465 PolarHBondContact O-N 2.87Å; L465-L467 VanDerWaalsContact C-N 3.32Å; L465-L467 PolarHBondContact O-N 2.91Å; L465-Q468 PolarHBondContact O-N 2.95Å; L465-Q468 VanDerWaalsContact O-N 3.16Å; L465-L469 HydrophobicContact CD1-CD1 4.27Å; L465-L469 HydrophobicContact CD1-CG 4.28Å; L465-L469 HydrophobicContact CG-CD1 4.26Å; L465-L469 WeakPolarHBondContact O-CG 3.39Å; L465-L469 PolarHBondContact O-N 2.93Å; L465-V507 HydrophobicContact CB-CG1 4.4Å; L465-V507 HydrophobicContact CD1-CG1 4.34Å; L465-P508 HydrophobicContact CD1-CB 4.17Å; L465-P508 HydrophobicContact CD1-CG 3.74Å; L465-I511 HydrophobicContact CB-CD1 3.67Å; L465-I511 HydrophobicContact CD1-CD1 4.09Å; L465-I511 HydrophobicContact CD2-CD1 3.63Å; L465-I511 HydrophobicContact CG-CD1 3.97Å
466	G	94.4	Very high	90.7	Very high	32 Å²	32	41.3 Å²	41.3	33%	0.33	24%	0.236	S	C	.	.	H	α-helix	trans	-58.2	-44.3	176.7	0	0	0	0	0	112.2	Y462 V463 Y464 Q468 L469 C470	Y462-G466 PolarHBondContact O-N 3.2Å; V463-G466 PolarHBondContact O-N 3.14Å; Y464-G466 VanDerWaalsContact C-N 3.35Å; Y464-G466 PolarHBondContact O-N 3.04Å; G466-Q468 VanDerWaalsContact C-N 3.33Å; G466-Q468 PolarHBondContact O-N 3.32Å; G466-L469 PolarHBondContact O-N 2.83Å; G466-C470 WeakPolarHBondContact O-CB 3.43Å; G466-C470 PolarHBondContact O-N 2.92Å; G466-C470 PolarHBondContact O-SG 2.95Å; G466-C470 VanDerWaalsContact O-SG 3.36Å
467	L	94.6	Very high	91.4	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.099	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-43.9	174.8	179.3	66.6	0	0	0	111.6	H432 I435 N436 V463 Y464 L465 C470 S471	H432-L467 HydrophobicContact CB-CD1 4.45Å; I435-L467 HydrophobicContact CB-CD1 4.19Å; I435-L467 HydrophobicContact CB-CD2 4.04Å; I435-L467 HydrophobicContact CD1-CD1 4.2Å; I435-L467 HydrophobicContact CG2-CB 4.34Å; I435-L467 HydrophobicContact CG2-CD1 4.23Å; I435-L467 HydrophobicContact CG2-CD2 3.91Å; I435-L467 HydrophobicContact CG2-CG 4.38Å; N436-L467 HydrophobicContact CB-CD2 3.89Å; V463-L467 PolarHBondContact O-N 2.83Å; Y464-L467 HydrophobicContact CD2-CD2 4.33Å; Y464-L467 WeakPolarHBondContact O-CB 3.17Å; Y464-L467 PolarHBondContact O-N 2.84Å; L465-L467 VanDerWaalsContact C-N 3.32Å; L465-L467 PolarHBondContact O-N 2.91Å; L467-C470 PolarHBondContact O-N 2.95Å; L467-S471 VanDerWaalsContact O-CB 3.24Å; L467-S471 WeakPolarHBondContact O-CB 3.29Å; L467-S471 PolarHBondContact O-N 2.79Å; L467-S471 PolarHBondContact O-OG 3.47Å
468	Q	94.5	Very high	92.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-42.6	-179.6	-168.5	68.5	-7.8	0	0	111.8	Y464 L465 G466 S471 Y472 W503 F504 V507	Y464-Q468 PolarHBondContact O-N 2.87Å; L465-Q468 PolarHBondContact O-N 2.95Å; L465-Q468 VanDerWaalsContact O-N 3.16Å; G466-Q468 VanDerWaalsContact C-N 3.33Å; G466-Q468 PolarHBondContact O-N 3.32Å; Q468-S471 PolarHBondContact O-N 2.82Å; Q468-Y472 WeakPolarHBondContact O-CB 3.32Å; Q468-Y472 PolarHBondContact O-N 2.87Å; Q468-W503 PolarHBondContact NE2-O 2.89Å; Q468-F504 VanDerWaalsContact CG-O 3.3Å; Q468-F504 WeakPolarHBondContact CG-O 3.35Å; Q468-F504 PolarHBondContact NE2-O 2.86Å; Q468-V507 HydrophobicContact CB-CB 4.34Å; Q468-V507 HydrophobicContact CB-CG2 4.41Å; Q468-V507 HydrophobicContact CG-CB 4.13Å; Q468-V507 HydrophobicContact CG-CG2 4.05Å
469	L	95	Very high	92.8	Very high	79 Å²	79	46.5 Å²	46.5	41%	0.414	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-43.8	176.6	-67.7	175.5	0	0	0	112.2	L465 G466 S471 Y472 I473 P508	L465-L469 HydrophobicContact CD1-CD1 4.27Å; L465-L469 HydrophobicContact CD1-CG 4.28Å; L465-L469 HydrophobicContact CG-CD1 4.26Å; L465-L469 WeakPolarHBondContact O-CG 3.39Å; L465-L469 PolarHBondContact O-N 2.93Å; G466-L469 PolarHBondContact O-N 2.83Å; L469-S471 VanDerWaalsContact C-N 3.33Å; L469-S471 PolarHBondContact O-N 2.8Å; L469-Y472 WeakPolarHBondContact O-CB 3.44Å; L469-Y472 PolarHBondContact O-N 3.3Å; L469-I473 WeakPolarHBondContact O-CG1 3.34Å; L469-I473 PolarHBondContact O-N 3.22Å; L469-P508 HydrophobicContact CD2-CG 4.16Å
470	C	95.4	Very high	93.2	Very high	86 Å²	86	43.6 Å²	43.6	58%	0.581	24%	0.238	S	C	*	.	H	α-helix	trans	-62.1	-42.1	174.8	-72.3	0	0	0	0	111.8	G466 L467 Y472 I473 A474	G466-C470 WeakPolarHBondContact O-CB 3.43Å; G466-C470 PolarHBondContact O-N 2.92Å; G466-C470 PolarHBondContact O-SG 2.95Å; G466-C470 VanDerWaalsContact O-SG 3.36Å; L467-C470 PolarHBondContact O-N 2.95Å; C470-Y472 VanDerWaalsContact C-N 3.32Å; C470-Y472 PolarHBondContact O-N 2.68Å; C470-I473 PolarHBondContact O-N 3.44Å; C470-A474 WeakPolarHBondContact O-CB 3.41Å; C470-A474 PolarHBondContact O-N 3.32Å
471	S	94.8	Very high	93.4	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.035	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-38.4	176.7	-58.7	0	0	0	0	111.5	H432 L467 Q468 L469 Y475	H432-S471 PolarHBondContact ND1-OG 2.65Å; L467-S471 VanDerWaalsContact O-CB 3.24Å; L467-S471 WeakPolarHBondContact O-CB 3.29Å; L467-S471 PolarHBondContact O-N 2.79Å; L467-S471 PolarHBondContact O-OG 3.47Å; Q468-S471 PolarHBondContact O-N 2.82Å; L469-S471 VanDerWaalsContact C-N 3.33Å; L469-S471 PolarHBondContact O-N 2.8Å; S471-Y475 VanDerWaalsContact O-CB 3.32Å; S471-Y475 WeakPolarHBondContact O-CB 3.32Å; S471-Y475 PolarHBondContact O-N 3.5Å
472	Y	95.6	Very high	93.6	Very high	45 Å²	45	47.7 Å²	47.7	18%	0.176	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-48.5	174.4	178.3	-132.4	0	0	0	112.2	Q468 L469 C470 A474 Y475 L476 C501 F504 W505	Q468-Y472 WeakPolarHBondContact O-CB 3.32Å; Q468-Y472 PolarHBondContact O-N 2.87Å; L469-Y472 WeakPolarHBondContact O-CB 3.44Å; L469-Y472 PolarHBondContact O-N 3.3Å; C470-Y472 VanDerWaalsContact C-N 3.32Å; C470-Y472 PolarHBondContact O-N 2.68Å; Y472-A474 PolarHBondContact O-N 3.04Å; Y472-Y475 PolarHBondContact O-N 3.46Å; Y472-L476 HydrophobicContact CD1-CD1 4.23Å; Y472-L476 HydrophobicContact CD2-CD1 4.18Å; Y472-L476 HydrophobicContact CD2-CG 3.97Å; Y472-L476 HydrophobicContact CE1-CD1 3.74Å; Y472-L476 HydrophobicContact CE2-CD1 3.69Å; Y472-L476 HydrophobicContact CE2-CD2 3.81Å; Y472-L476 HydrophobicContact CE2-CG 3.63Å; Y472-L476 HydrophobicContact CG-CD1 4.44Å; Y472-L476 VanDerWaalsContact CZ-CD1 3.46Å; Y472-L476 WeakPolarHBondContact O-CB 3.41Å; Y472-L476 WeakPolarHBondContact O-CG 3.31Å; Y472-L476 PolarHBondContact O-N 2.82Å; Y472-C501 HydrophobicContact CE2-CB 4.43Å; Y472-C501 PolarHBondContact OH-SG 2.86Å; Y472-C501 VanDerWaalsContact OH-SG 3.39Å; Y472-F504 HydrophobicContact CD2-CB 3.5Å; Y472-F504 VanDerWaalsContact CD2-CB 3.5Å; Y472-F504 HydrophobicContact CD2-CD1 4.12Å; Y472-F504 AromaticContact CD2-CD2 3.65Å; Y472-F504 HydrophobicContact CD2-CD2 3.65Å; Y472-F504 HydrophobicContact CD2-CE2 4.4Å; Y472-F504 AromaticContact CD2-CG 3.48Å; Y472-F504 HydrophobicContact CD2-CG 3.48Å; Y472-F504 VanDerWaalsContact CD2-CG 3.48Å; Y472-F504 HydrophobicContact CE2-CB 4.16Å; Y472-F504 HydrophobicContact CE2-CD2 4.3Å; Y472-F504 HydrophobicContact CE2-CG 4.39Å; Y472-F504 HydrophobicContact CG-CB 3.84Å; Y472-F504 HydrophobicContact CG-CD1 4.3Å; Y472-F504 HydrophobicContact CG-CG 4.01Å; Y472-W505 AromaticContact CE1-NE1 3.99Å; Y472-W505 AromaticContact CZ-NE1 3.94Å
473	I	95.7	Very high	93.7	Very high	112 Å²	112	43.1 Å²	43.1	57%	0.574	24%	0.235	S	C	*	.	H	α-helix	trans	-61.6	-44.9	178.3	-66.4	166.1	0	0	0	110.7	L469 C470 Y475 L476 F477	L469-I473 WeakPolarHBondContact O-CG1 3.34Å; L469-I473 PolarHBondContact O-N 3.22Å; C470-I473 PolarHBondContact O-N 3.44Å; I473-Y475 PolarHBondContact O-N 2.98Å; I473-L476 PolarHBondContact O-N 3.31Å; I473-F477 WeakPolarHBondContact O-CB 3.47Å; I473-F477 PolarHBondContact O-N 3.48Å
474	A	94.6	Very high	93.6	Very high	25 Å²	25	45.7 Å²	45.7	21%	0.207	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-46.1	177.1	0	0	0	0	0	111.7	C470 Y472 F477 I478	C470-A474 WeakPolarHBondContact O-CB 3.41Å; C470-A474 PolarHBondContact O-N 3.32Å; Y472-A474 PolarHBondContact O-N 3.04Å; A474-F477 PolarHBondContact O-N 3.09Å; A474-I478 WeakPolarHBondContact O-CD1 3.26Å; A474-I478 VanDerWaalsContact O-CG1 3.29Å; A474-I478 WeakPolarHBondContact O-CG1 2.96Å; A474-I478 PolarHBondContact O-N 3.38Å
475	Y	95.1	Very high	93.4	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-47.5	175.3	168.7	-97.3	0	0	0	112.3	L403 L404 S471 Y472 I473 F477 I478 C479 F496 M497 S500 F504	L403-Y475 HydrophobicContact CB-CD2 4.35Å; L403-Y475 HydrophobicContact CB-CE2 4.23Å; L404-Y475 HydrophobicContact CD2-CD2 4.49Å; S471-Y475 VanDerWaalsContact O-CB 3.32Å; S471-Y475 WeakPolarHBondContact O-CB 3.32Å; S471-Y475 PolarHBondContact O-N 3.5Å; Y472-Y475 PolarHBondContact O-N 3.46Å; I473-Y475 PolarHBondContact O-N 2.98Å; Y475-F477 VanDerWaalsContact C-N 3.33Å; Y475-F477 PolarHBondContact O-N 3.07Å; Y475-I478 PolarHBondContact O-N 3.32Å; Y475-C479 VanDerWaalsContact O-CB 3.31Å; Y475-C479 WeakPolarHBondContact O-CB 3.48Å; Y475-C479 PolarHBondContact O-N 2.98Å; Y475-F496 AromaticContact CE2-CE1 3.87Å; Y475-F496 HydrophobicContact CE2-CE1 3.87Å; Y475-F496 HydrophobicContact CE2-CZ 4.44Å; Y475-F496 AromaticContact CZ-CE1 3.95Å; Y475-F496 VanDerWaalsContact OH-CD1 3.23Å; Y475-F496 WeakPolarHBondContact OH-CD1 3.47Å; Y475-F496 WeakPolarHBondContact OH-CE1 3.37Å; Y475-M497 HydrophobicContact CE1-CG 4.33Å; Y475-S500 WeakPolarHBondContact OH-CB 3.2Å; Y475-S500 PolarHBondContact OH-OG 2.88Å; Y475-S500 VanDerWaalsContact OH-OG 3.05Å; Y475-F504 HydrophobicContact CD1-CD2 4.17Å; Y475-F504 AromaticContact CD1-CE2 3.44Å; Y475-F504 HydrophobicContact CD1-CE2 3.44Å; Y475-F504 VanDerWaalsContact CD1-CE2 3.44Å; Y475-F504 HydrophobicContact CD1-CZ 4.02Å; Y475-F504 HydrophobicContact CD2-CE2 4.19Å; Y475-F504 HydrophobicContact CD2-CZ 4.27Å; Y475-F504 AromaticContact CE1-CE2 3.96Å; Y475-F504 HydrophobicContact CE1-CE2 3.96Å; Y475-F504 AromaticContact CG-CE2 3.58Å; Y475-F504 HydrophobicContact CG-CE2 3.58Å; Y475-F504 AromaticContact CG-CZ 3.69Å; Y475-F504 HydrophobicContact CG-CZ 3.69Å
476	L	95	Very high	93	Very high	43 Å²	43	53.5 Å²	53.5	23%	0.225	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-42.5	178.2	-75.5	-178.2	0	0	0	111.8	Y472 I473 S480 M497	Y472-L476 HydrophobicContact CD1-CD1 4.23Å; Y472-L476 HydrophobicContact CD2-CD1 4.18Å; Y472-L476 HydrophobicContact CD2-CG 3.97Å; Y472-L476 HydrophobicContact CE1-CD1 3.74Å; Y472-L476 HydrophobicContact CE2-CD1 3.69Å; Y472-L476 HydrophobicContact CE2-CD2 3.81Å; Y472-L476 HydrophobicContact CE2-CG 3.63Å; Y472-L476 HydrophobicContact CG-CD1 4.44Å; Y472-L476 VanDerWaalsContact CZ-CD1 3.46Å; Y472-L476 WeakPolarHBondContact O-CB 3.41Å; Y472-L476 WeakPolarHBondContact O-CG 3.31Å; Y472-L476 PolarHBondContact O-N 2.82Å; I473-L476 PolarHBondContact O-N 3.31Å; L476-S480 WeakPolarHBondContact O-CB 3.08Å; L476-S480 PolarHBondContact O-N 2.95Å; L476-S480 PolarHBondContact O-OG 2.84Å; L476-M497 HydrophobicContact CD2-CG 3.74Å; L476-M497 HydrophobicContact CD2-SD 3.73Å
477	F	94.1	Very high	92.5	Very high	149 Å²	149	56.8 Å²	56.8	65%	0.654	29%	0.293	S	S	*	.	H	α-helix	trans	-61.4	-47.9	177.6	-177.2	-97.6	0	0	0	111.5	I473 A474 Y475 S480 Y481	I473-F477 WeakPolarHBondContact O-CB 3.47Å; I473-F477 PolarHBondContact O-N 3.48Å; A474-F477 PolarHBondContact O-N 3.09Å; Y475-F477 VanDerWaalsContact C-N 3.33Å; Y475-F477 PolarHBondContact O-N 3.07Å; F477-S480 PolarHBondContact O-N 3.01Å; F477-Y481 WeakPolarHBondContact O-CB 3.09Å; F477-Y481 PolarHBondContact O-N 2.94Å
478	I	92.6	Very high	91.8	Very high	16 Å²	16	59.5 Å²	59.5	8%	0.082	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-45.2	179.9	-67.6	164.2	0	0	0	111.4	L404 F425 A474 Y475 T482	L404-I478 HydrophobicContact CD2-CD1 3.77Å; F425-I478 HydrophobicContact CD1-CD1 3.92Å; F425-I478 HydrophobicContact CE1-CD1 3.61Å; F425-I478 HydrophobicContact CE1-CG1 3.94Å; F425-I478 HydrophobicContact CE1-CG2 4.14Å; F425-I478 HydrophobicContact CZ-CG2 4.18Å; A474-I478 WeakPolarHBondContact O-CD1 3.26Å; A474-I478 VanDerWaalsContact O-CG1 3.29Å; A474-I478 WeakPolarHBondContact O-CG1 2.96Å; A474-I478 PolarHBondContact O-N 3.38Å; Y475-I478 PolarHBondContact O-N 3.32Å; I478-T482 PolarHBondContact O-N 3.02Å; I478-T482 VanDerWaalsContact O-N 3.14Å; I478-T482 PolarHBondContact O-OG1 3.23Å
479	C	92.6	Very high	91.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-68.3	-39.3	179.7	-166.8	0	0	0	0	111.4	Y475 T482 C483 M497	Y475-C479 VanDerWaalsContact O-CB 3.31Å; Y475-C479 WeakPolarHBondContact O-CB 3.48Å; Y475-C479 PolarHBondContact O-N 2.98Å; C479-T482 PolarHBondContact O-N 3.45Å; C479-C483 WeakPolarHBondContact O-CB 3.36Å; C479-C483 PolarHBondContact O-N 2.96Å; C479-M497 HydrophobicContact CB-SD 4.49Å
480	S	92.8	Very high	90.8	Very high	45 Å²	45	64.3 Å²	64.3	32%	0.315	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-43.2	177.4	-61.6	0	0	0	0	111.9	L476 F477 T482 C483 I484	L476-S480 WeakPolarHBondContact O-CB 3.08Å; L476-S480 PolarHBondContact O-N 2.95Å; L476-S480 PolarHBondContact O-OG 2.84Å; F477-S480 PolarHBondContact O-N 3.01Å; S480-T482 VanDerWaalsContact C-N 3.3Å; S480-T482 PolarHBondContact O-N 3.37Å; S480-C483 WeakPolarHBondContact O-CB 3.37Å; S480-C483 PolarHBondContact O-N 2.79Å; S480-I484 VanDerWaalsContact O-CG1 3.28Å; S480-I484 WeakPolarHBondContact O-CG1 3.43Å; S480-I484 PolarHBondContact O-N 2.79Å
481	Y	92	Very high	90.4	Very high	105 Å²	105	65.1 Å²	65.1	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-56.3	-46.6	174	176.1	-97	0	0	0	111.3	F477 I484 K485	F477-Y481 WeakPolarHBondContact O-CB 3.09Å; F477-Y481 PolarHBondContact O-N 2.94Å; Y481-I484 PolarHBondContact O-N 3.02Å; Y481-K485 HydrophobicContact CE1-CD 3.9Å; Y481-K485 VanDerWaalsContact O-CB 3.31Å; Y481-K485 WeakPolarHBondContact O-CB 3.49Å; Y481-K485 PolarHBondContact O-N 3.36Å; Y481-K485 PolarHBondContact OH-NZ 3.37Å; Y481-K485 VanDerWaalsContact OH-NZ 3.17Å
482	T	90.2	Very high	90	Very high	4 Å²	4	65.7 Å²	65.7	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-41.5	178.8	-52.1	0	0	0	0	111.7	G407 S408 I478 C479 S480 I484 K485 W486 F493	G407-T482 PolarHBondContact O-OG1 2.92Å; S408-T482 PolarHBondContact O-OG1 2.87Å; I478-T482 PolarHBondContact O-N 3.02Å; I478-T482 VanDerWaalsContact O-N 3.14Å; I478-T482 PolarHBondContact O-OG1 3.23Å; C479-T482 PolarHBondContact O-N 3.45Å; S480-T482 VanDerWaalsContact C-N 3.3Å; S480-T482 PolarHBondContact O-N 3.37Å; T482-I484 PolarHBondContact O-N 3.15Å; T482-K485 PolarHBondContact O-N 2.92Å; T482-W486 PolarHBondContact O-N 2.91Å; T482-W486 VanDerWaalsContact O-N 3.08Å; T482-F493 HydrophobicContact CG2-CD1 4.47Å; T482-F493 HydrophobicContact CG2-CD2 4.49Å; T482-F493 HydrophobicContact CG2-CE1 3.83Å; T482-F493 HydrophobicContact CG2-CE2 3.85Å; T482-F493 HydrophobicContact CG2-CZ 3.49Å; T482-F493 VanDerWaalsContact CG2-CZ 3.49Å
483	C	91.2	Very high	89.7	Confident	13 Å²	13	63.6 Å²	63.6	9%	0.088	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-39.5	177.5	-176.3	0	0	0	0	112.7	C479 S480 R490 F493	C479-C483 WeakPolarHBondContact O-CB 3.36Å; C479-C483 PolarHBondContact O-N 2.96Å; S480-C483 WeakPolarHBondContact O-CB 3.37Å; S480-C483 PolarHBondContact O-N 2.79Å; C483-R490 WeakPolarHBondContact SG-CG 3.29Å; C483-F493 HydrophobicContact CB-CB 4.12Å
484	I	91	Very high	89.5	Confident	135 Å²	135	61.8 Å²	61.8	69%	0.692	32%	0.321	S	S	*	.	H	α-helix	trans	-73.8	-45.4	178	-67.7	165.7	0	0	0	110.8	S480 Y481 T482 W486	S480-I484 VanDerWaalsContact O-CG1 3.28Å; S480-I484 WeakPolarHBondContact O-CG1 3.43Å; S480-I484 PolarHBondContact O-N 2.79Å; Y481-I484 PolarHBondContact O-N 3.02Å; T482-I484 PolarHBondContact O-N 3.15Å; I484-W486 VanDerWaalsContact C-N 3.33Å; I484-W486 PolarHBondContact O-N 2.9Å
485	K	88.5	Confident	89.3	Confident	110 Å²	110	68.4 Å²	68.4	48%	0.478	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-31.3	-175.5	-171	173.3	-174.6	176	0	113	Y481 T482	Y481-K485 HydrophobicContact CE1-CD 3.9Å; Y481-K485 VanDerWaalsContact O-CB 3.31Å; Y481-K485 WeakPolarHBondContact O-CB 3.49Å; Y481-K485 PolarHBondContact O-N 3.36Å; Y481-K485 PolarHBondContact OH-NZ 3.37Å; Y481-K485 VanDerWaalsContact OH-NZ 3.17Å; T482-K485 PolarHBondContact O-N 2.92Å
486	W	84	Confident	89.1	Confident	99 Å²	99	68.4 Å²	68.4	38%	0.375	34%	0.341	S	S	.	.			trans	-123.5	80.2	-172.2	-60.5	103.3	0	0	0	112.1	V413 H414 T482 I484 G488 K489	V413-W486 HydrophobicContact CB-CG 4.47Å; V413-W486 HydrophobicContact CG1-CB 4.05Å; V413-W486 HydrophobicContact CG1-CD2 3.17Å; V413-W486 HydrophobicContact CG1-CE3 3.69Å; V413-W486 HydrophobicContact CG1-CG 3.35Å; V413-W486 HydrophobicContact CG1-CH2 4.26Å; V413-W486 HydrophobicContact CG1-CZ2 3.82Å; V413-W486 HydrophobicContact CG1-CZ3 4.2Å; V413-W486 HydrophobicContact CG2-CB 4.38Å; V413-W486 HydrophobicContact CG2-CG 4.44Å; H414-W486 AromaticContact CD2-CZ2 3.79Å; H414-W486 AromaticContact CE1-CD1 3.97Å; H414-W486 AromaticContact CE1-NE1 3.2Å; H414-W486 PolarHBondContact CE1-NE1 3.44Å; H414-W486 AromaticContact NE2-CE2 3.46Å; H414-W486 AromaticContact NE2-CZ2 3.44Å; H414-W486 WeakPolarHBondContact NE2-CZ2 3.34Å; H414-W486 AromaticContact NE2-NE1 2.98Å; H414-W486 PolarHBondContact NE2-NE1 3.43Å; T482-W486 PolarHBondContact O-N 2.91Å; T482-W486 VanDerWaalsContact O-N 3.08Å; I484-W486 VanDerWaalsContact C-N 3.33Å; I484-W486 PolarHBondContact O-N 2.9Å; W486-G488 VanDerWaalsContact C-N 3.25Å; W486-G488 PolarHBondContact O-N 2.88Å; W486-K489 PolarHBondContact O-N 3.25Å
487	S	83.8	Confident	89	Confident	101 Å²	101	68.6 Å²	68.6	71%	0.706	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-58.5	-33	-176.9	59.2	0	0	0	0	113.7	K489 R490	S487-K489 PolarHBondContact O-N 2.84Å; S487-K489 VanDerWaalsContact O-N 3.15Å; S487-R490 WeakPolarHBondContact O-CB 3.4Å; S487-R490 PolarHBondContact O-N 2.71Å
488	G	80.5	Confident	88.9	Confident	76 Å²	76	64.4 Å²	64.4	78%	0.784	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-61.2	-23.7	-177.5	0	0	0	0	0	115.1	W486	W486-G488 VanDerWaalsContact C-N 3.25Å; W486-G488 PolarHBondContact O-N 2.88Å
489	K	81.9	Confident	88.9	Confident	39 Å²	39	66.6 Å²	66.6	17%	0.17	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-119.8	18.2	178.5	-60.9	-169	-173.9	-169.8	0	113.3	I412 V413 W486 S487 I491 F492 F493 I554	I412-K489 HydrophobicContact CG2-CD 3.69Å; I412-K489 PolarHBondContact O-NZ 3.19Å; V413-K489 HydrophobicContact CG2-CD 4.12Å; W486-K489 PolarHBondContact O-N 3.25Å; S487-K489 PolarHBondContact O-N 2.84Å; S487-K489 VanDerWaalsContact O-N 3.15Å; K489-I491 VanDerWaalsContact C-N 3.29Å; K489-I491 PolarHBondContact O-N 3.35Å; K489-F492 WeakPolarHBondContact O-CB 3.38Å; K489-F492 PolarHBondContact O-N 2.95Å; K489-F492 VanDerWaalsContact O-N 3.09Å; K489-F493 HydrophobicContact CB-CD2 4.32Å; K489-F493 HydrophobicContact CB-CE2 4.13Å; K489-F493 WeakPolarHBondContact O-CD2 3.49Å; K489-F493 PolarHBondContact O-N 3.44Å; K489-I554 WeakPolarHBondContact CD-O 3.49Å; K489-I554 WeakPolarHBondContact CE-O 3.26Å; K489-I554 PolarHBondContact NZ-O 3.09Å
490	R	85.8	Confident	88.9	Confident	141 Å²	141	67 Å²	67	53%	0.532	35%	0.348	S	S	.	.	H	α-helix	trans	-55.5	-41.4	-173.9	-163.1	-177	176.7	-177	-2.8	113.2	C483 S487 F492 F493 I494	C483-R490 WeakPolarHBondContact SG-CG 3.29Å; S487-R490 WeakPolarHBondContact O-CB 3.4Å; S487-R490 PolarHBondContact O-N 2.71Å; R490-F492 VanDerWaalsContact C-N 3.31Å; R490-F492 PolarHBondContact O-N 3.18Å; R490-F493 PolarHBondContact O-N 2.94Å; R490-I494 HydrophobicContact CG-CD1 3.99Å; R490-I494 HydrophobicContact CG-CG1 4.48Å; R490-I494 WeakPolarHBondContact O-CG1 3.25Å; R490-I494 PolarHBondContact O-N 3.49Å
491	I	86.5	Confident	88.9	Confident	104 Å²	104	66.1 Å²	66.1	53%	0.533	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-36.3	-179.5	-170	60.5	0	0	0	112.8	K489 R495	K489-I491 VanDerWaalsContact C-N 3.29Å; K489-I491 PolarHBondContact O-N 3.35Å; I491-R495 WeakPolarHBondContact O-CG 3.05Å; I491-R495 PolarHBondContact O-N 3.48Å; I491-R495 VanDerWaalsContact O-N 3.16Å
492	F	87	Confident	89	Confident	17 Å²	17	66.1 Å²	66.1	8%	0.075	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-49.2	175.5	166.2	-88.2	0	0	0	110.2	I412 K489 R490 I494 R495 F496 F545 I554	I412-F492 HydrophobicContact CD1-CD1 4.18Å; I412-F492 HydrophobicContact CD1-CE1 3.23Å; I412-F492 HydrophobicContact CD1-CZ 3.56Å; I412-F492 HydrophobicContact CG2-CE1 4.5Å; K489-F492 WeakPolarHBondContact O-CB 3.38Å; K489-F492 PolarHBondContact O-N 2.95Å; K489-F492 VanDerWaalsContact O-N 3.09Å; R490-F492 VanDerWaalsContact C-N 3.31Å; R490-F492 PolarHBondContact O-N 3.18Å; F492-I494 PolarHBondContact O-N 3.39Å; F492-R495 PolarHBondContact O-N 2.86Å; F492-F496 HydrophobicContact CE1-CB 4.34Å; F492-F496 HydrophobicContact CZ-CB 4.47Å; F492-F496 WeakPolarHBondContact O-CB 3.35Å; F492-F496 PolarHBondContact O-N 2.82Å; F492-F545 HydrophobicContact CD2-CE1 4.45Å; F492-F545 AromaticContact CE2-CD1 3.65Å; F492-F545 HydrophobicContact CE2-CD1 3.65Å; F492-F545 AromaticContact CE2-CE1 3.91Å; F492-F545 HydrophobicContact CE2-CE1 3.91Å; F492-F545 HydrophobicContact CZ-CD1 4.32Å; F492-I554 HydrophobicContact CB-CG2 4.44Å; F492-I554 HydrophobicContact CD2-CG2 4.12Å; F492-I554 HydrophobicContact CG-CG2 4.41Å
493	F	89.9	Confident	89.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-37.2	-179.3	-74	-71.8	0	0	0	112.8	I412 V413 T482 C483 K489 R490 R495 F496 M497	I412-F493 HydrophobicContact CB-CZ 4.43Å; I412-F493 HydrophobicContact CD1-CE1 4.32Å; I412-F493 HydrophobicContact CD1-CZ 4.23Å; I412-F493 HydrophobicContact CG2-CZ 4.32Å; V413-F493 HydrophobicContact CG2-CE2 3.83Å; V413-F493 HydrophobicContact CG2-CZ 3.99Å; T482-F493 HydrophobicContact CG2-CD1 4.47Å; T482-F493 HydrophobicContact CG2-CD2 4.49Å; T482-F493 HydrophobicContact CG2-CE1 3.83Å; T482-F493 HydrophobicContact CG2-CE2 3.85Å; T482-F493 HydrophobicContact CG2-CZ 3.49Å; T482-F493 VanDerWaalsContact CG2-CZ 3.49Å; C483-F493 HydrophobicContact CB-CB 4.12Å; K489-F493 HydrophobicContact CB-CD2 4.32Å; K489-F493 HydrophobicContact CB-CE2 4.13Å; K489-F493 WeakPolarHBondContact O-CD2 3.49Å; K489-F493 PolarHBondContact O-N 3.44Å; R490-F493 PolarHBondContact O-N 2.94Å; F493-R495 PolarHBondContact O-N 3.33Å; F493-F496 PolarHBondContact O-N 3.48Å; F493-M497 WeakPolarHBondContact O-CB 3.24Å; F493-M497 PolarHBondContact O-N 3.38Å
494	I	90.6	Very high	89.2	Confident	74 Å²	74	65.9 Å²	65.9	38%	0.379	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-45.8	174.8	-69.4	168.3	0	0	0	110.6	R490 F492 A498	R490-I494 HydrophobicContact CG-CD1 3.99Å; R490-I494 HydrophobicContact CG-CG1 4.48Å; R490-I494 WeakPolarHBondContact O-CG1 3.25Å; R490-I494 PolarHBondContact O-N 3.49Å; F492-I494 PolarHBondContact O-N 3.39Å; I494-A498 WeakPolarHBondContact O-CB 3.33Å; I494-A498 PolarHBondContact O-N 3.43Å
495	R	90.8	Very high	89.3	Confident	164 Å²	164	65.4 Å²	65.4	62%	0.619	33%	0.334	S	S	*	.	H	α-helix	trans	-65.4	-45.6	177.6	-72	176.9	175.6	179	-0.6	111.8	I491 F492 F493 M497 A498 I499	I491-R495 WeakPolarHBondContact O-CG 3.05Å; I491-R495 PolarHBondContact O-N 3.48Å; I491-R495 VanDerWaalsContact O-N 3.16Å; F492-R495 PolarHBondContact O-N 2.86Å; F493-R495 PolarHBondContact O-N 3.33Å; R495-M497 VanDerWaalsContact C-N 3.34Å; R495-M497 PolarHBondContact O-N 2.74Å; R495-A498 PolarHBondContact O-N 3.08Å; R495-I499 WeakPolarHBondContact O-CG1 3.33Å; R495-I499 PolarHBondContact O-N 3.21Å
496	F	91.4	Very high	89.4	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-44.1	178.4	178.4	-113.6	0	0	0	111.8	L403 L406 Y475 F492 F493 I499 S500 M542 F545	L403-F496 HydrophobicContact CD2-CE2 4.18Å; L403-F496 HydrophobicContact CD2-CZ 3.81Å; L406-F496 HydrophobicContact CB-CE1 4.39Å; L406-F496 HydrophobicContact CB-CZ 4Å; L406-F496 HydrophobicContact CD2-CD2 4.27Å; L406-F496 HydrophobicContact CD2-CE1 4.49Å; L406-F496 HydrophobicContact CD2-CE2 3.56Å; L406-F496 HydrophobicContact CD2-CZ 3.67Å; L406-F496 HydrophobicContact CG-CE1 4.43Å; L406-F496 HydrophobicContact CG-CE2 4.33Å; L406-F496 HydrophobicContact CG-CZ 4.02Å; Y475-F496 AromaticContact CE2-CE1 3.87Å; Y475-F496 HydrophobicContact CE2-CE1 3.87Å; Y475-F496 HydrophobicContact CE2-CZ 4.44Å; Y475-F496 AromaticContact CZ-CE1 3.95Å; Y475-F496 VanDerWaalsContact OH-CD1 3.23Å; Y475-F496 WeakPolarHBondContact OH-CD1 3.47Å; Y475-F496 WeakPolarHBondContact OH-CE1 3.37Å; F492-F496 HydrophobicContact CE1-CB 4.34Å; F492-F496 HydrophobicContact CZ-CB 4.47Å; F492-F496 WeakPolarHBondContact O-CB 3.35Å; F492-F496 PolarHBondContact O-N 2.82Å; F493-F496 PolarHBondContact O-N 3.48Å; F496-I499 PolarHBondContact O-N 2.87Å; F496-S500 VanDerWaalsContact O-CB 3.3Å; F496-S500 WeakPolarHBondContact O-CB 3.35Å; F496-S500 PolarHBondContact O-N 3.03Å; F496-S500 PolarHBondContact O-OG 3.23Å; F496-M542 HydrophobicContact CE2-CE 3.94Å; F496-M542 HydrophobicContact CE2-SD 4.16Å; F496-M542 HydrophobicContact CZ-CE 4.04Å; F496-F545 AromaticContact CD2-CD2 3.99Å; F496-F545 HydrophobicContact CD2-CD2 3.99Å; F496-F545 AromaticContact CD2-CE2 3.78Å; F496-F545 HydrophobicContact CD2-CE2 3.78Å; F496-F545 HydrophobicContact CD2-CZ 4.28Å; F496-F545 HydrophobicContact CE2-CD2 4.36Å; F496-F545 HydrophobicContact CE2-CE2 4.47Å
497	M	92.1	Very high	89.7	Confident	47 Å²	47	55.7 Å²	55.7	23%	0.232	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-48.7	176.3	-171.5	172.5	70.7	0	0	111.4	Y475 L476 C479 F493 R495 I499 S500 C501	Y475-M497 HydrophobicContact CE1-CG 4.33Å; L476-M497 HydrophobicContact CD2-CG 3.74Å; L476-M497 HydrophobicContact CD2-SD 3.73Å; C479-M497 HydrophobicContact CB-SD 4.49Å; F493-M497 WeakPolarHBondContact O-CB 3.24Å; F493-M497 PolarHBondContact O-N 3.38Å; R495-M497 VanDerWaalsContact C-N 3.34Å; R495-M497 PolarHBondContact O-N 2.74Å; M497-I499 VanDerWaalsContact C-N 3.32Å; M497-I499 PolarHBondContact O-N 3.41Å; M497-S500 PolarHBondContact O-N 2.91Å; M497-C501 PolarHBondContact O-N 2.79Å; M497-C501 PolarHBondContact O-SG 2.91Å
498	A	92.2	Very high	90	Very high	61 Å²	61	51.4 Å²	51.4	50%	0.504	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-41.4	-180	0	0	0	0	0	112.7	I494 R495	I494-A498 WeakPolarHBondContact O-CB 3.33Å; I494-A498 PolarHBondContact O-N 3.43Å; R495-A498 PolarHBondContact O-N 3.08Å
499	I	92.3	Very high	90.3	Very high	62 Å²	62	51.5 Å²	51.5	32%	0.318	25%	0.246	S	C	.	.	H	α-helix	trans	-72	-42.4	179	-65.7	164.3	0	0	0	111.1	R495 F496 M497 C501 I502 I541 F545	R495-I499 WeakPolarHBondContact O-CG1 3.33Å; R495-I499 PolarHBondContact O-N 3.21Å; F496-I499 PolarHBondContact O-N 2.87Å; M497-I499 VanDerWaalsContact C-N 3.32Å; M497-I499 PolarHBondContact O-N 3.41Å; I499-C501 PolarHBondContact O-N 2.78Å; I499-I502 WeakPolarHBondContact O-CB 3.35Å; I499-I502 PolarHBondContact O-N 3Å; I499-I502 VanDerWaalsContact O-N 3.17Å; I499-I541 HydrophobicContact CG2-CD1 3.72Å; I499-I541 HydrophobicContact CG2-CG2 3.8Å; I499-F545 HydrophobicContact CD1-CE2 4.35Å; I499-F545 HydrophobicContact CD1-CZ 3.98Å
500	S	92.3	Very high	90.3	Very high	8 Å²	8	49.9 Å²	49.9	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-28.1	-179.2	-57.1	0	0	0	0	112.6	L403 Y475 F496 M497 I502 W503 F504	L403-S500 WeakPolarHBondContact CD2-OG 3.39Å; Y475-S500 WeakPolarHBondContact OH-CB 3.2Å; Y475-S500 PolarHBondContact OH-OG 2.88Å; Y475-S500 VanDerWaalsContact OH-OG 3.05Å; F496-S500 VanDerWaalsContact O-CB 3.3Å; F496-S500 WeakPolarHBondContact O-CB 3.35Å; F496-S500 PolarHBondContact O-N 3.03Å; F496-S500 PolarHBondContact O-OG 3.23Å; M497-S500 PolarHBondContact O-N 2.91Å; S500-I502 PolarHBondContact O-N 2.84Å; S500-W503 PolarHBondContact O-N 2.82Å; S500-W503 VanDerWaalsContact O-N 3.11Å; S500-F504 VanDerWaalsContact O-CD2 3.3Å; S500-F504 WeakPolarHBondContact O-CD2 2.93Å; S500-F504 PolarHBondContact O-N 2.93Å
501	C	93.7	Very high	90.2	Very high	26 Å²	26	43.6 Å²	43.6	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-53.4	-36.6	173.3	-72.5	0	0	0	0	112.5	Y472 M497 I499 W503 F504 W505	Y472-C501 HydrophobicContact CE2-CB 4.43Å; Y472-C501 PolarHBondContact OH-SG 2.86Å; Y472-C501 VanDerWaalsContact OH-SG 3.39Å; M497-C501 PolarHBondContact O-N 2.79Å; M497-C501 PolarHBondContact O-SG 2.91Å; I499-C501 PolarHBondContact O-N 2.78Å; C501-W503 PolarHBondContact O-N 2.98Å; C501-F504 PolarHBondContact O-N 2.94Å; C501-F504 VanDerWaalsContact O-N 3.07Å; C501-W505 VanDerWaalsContact O-CD1 3.25Å; C501-W505 PolarHBondContact O-N 2.96Å; C501-W505 VanDerWaalsContact O-N 3.09Å
502	I	92.5	Very high	90.1	Very high	105 Å²	105	42.7 Å²	42.7	54%	0.538	21%	0.212	S	C	.	.	H	α-helix	trans	-57.7	-40.3	-179.4	-60.2	172.4	0	0	0	110.8	I499 S500	I499-I502 WeakPolarHBondContact O-CB 3.35Å; I499-I502 PolarHBondContact O-N 3Å; I499-I502 VanDerWaalsContact O-N 3.17Å; S500-I502 PolarHBondContact O-N 2.84Å
503	W	93.5	Very high	89.8	Confident	10 Å²	10	44.6 Å²	44.6	4%	0.038	22%	0.222	C	C	.	.	H	α-helix	trans	-70.6	-35.4	178.2	-177.6	87.1	0	0	0	112.8	I396 F399 Y400 L403 Q468 S500 C501 W505 T506 I534 H535	I396-W503 HydrophobicContact CG2-CH2 4.35Å; I396-W503 HydrophobicContact CG2-CZ2 3.98Å; F399-W503 HydrophobicContact CD1-CD2 4.1Å; F399-W503 AromaticContact CD1-CE2 3.64Å; F399-W503 HydrophobicContact CD1-CG 4.34Å; F399-W503 AromaticContact CD1-CZ2 3.98Å; F399-W503 HydrophobicContact CD1-CZ2 3.98Å; F399-W503 AromaticContact CD1-NE1 3.63Å; F399-W503 AromaticContact CE1-CD1 3.6Å; F399-W503 AromaticContact CE1-CD2 3.96Å; F399-W503 HydrophobicContact CE1-CD2 3.96Å; F399-W503 AromaticContact CE1-CE2 3.9Å; F399-W503 AromaticContact CE1-CG 3.78Å; F399-W503 HydrophobicContact CE1-CG 3.78Å; F399-W503 AromaticContact CE1-NE1 3.69Å; Y400-W503 HydrophobicContact CD2-CZ3 4.43Å; L403-W503 HydrophobicContact CD1-CD2 4.28Å; L403-W503 HydrophobicContact CD1-CE3 3.93Å; L403-W503 HydrophobicContact CD1-CZ3 4.29Å; Q468-W503 PolarHBondContact NE2-O 2.89Å; S500-W503 PolarHBondContact O-N 2.82Å; S500-W503 VanDerWaalsContact O-N 3.11Å; C501-W503 PolarHBondContact O-N 2.98Å; W503-W505 VanDerWaalsContact C-N 3.33Å; W503-W505 PolarHBondContact O-N 2.95Å; W503-T506 WeakPolarHBondContact O-CG2 3.45Å; W503-T506 PolarHBondContact O-OG1 2.89Å; W503-I534 HydrophobicContact CB-CG2 4.36Å; W503-H535 AromaticContact CE2-NE2 3.94Å; W503-H535 AromaticContact NE1-CD2 3.48Å; W503-H535 PolarHBondContact NE1-CD2 2.96Å; W503-H535 AromaticContact NE1-CE1 3.78Å; W503-H535 AromaticContact NE1-NE2 3.08Å; W503-H535 PolarHBondContact NE1-NE2 3.34Å
504	F	93.7	Very high	89.2	Confident	3 Å²	3	45 Å²	45	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-69.8	-31.8	177.9	-75.4	-75.3	0	0	0	113	Y400 L403 Q468 Y472 Y475 S500 C501 T506	Y400-F504 HydrophobicContact CD2-CE1 4.03Å; Y400-F504 HydrophobicContact CD2-CZ 4.03Å; Y400-F504 AromaticContact CE2-CE1 3.99Å; Y400-F504 HydrophobicContact CE2-CE1 3.99Å; Y400-F504 HydrophobicContact CE2-CZ 4.04Å; L403-F504 HydrophobicContact CD1-CE2 4.35Å; L403-F504 HydrophobicContact CD1-CZ 4.41Å; Q468-F504 VanDerWaalsContact CG-O 3.3Å; Q468-F504 WeakPolarHBondContact CG-O 3.35Å; Q468-F504 PolarHBondContact NE2-O 2.86Å; Y472-F504 HydrophobicContact CD2-CB 3.5Å; Y472-F504 VanDerWaalsContact CD2-CB 3.5Å; Y472-F504 HydrophobicContact CD2-CD1 4.12Å; Y472-F504 AromaticContact CD2-CD2 3.65Å; Y472-F504 HydrophobicContact CD2-CD2 3.65Å; Y472-F504 HydrophobicContact CD2-CE2 4.4Å; Y472-F504 AromaticContact CD2-CG 3.48Å; Y472-F504 HydrophobicContact CD2-CG 3.48Å; Y472-F504 VanDerWaalsContact CD2-CG 3.48Å; Y472-F504 HydrophobicContact CE2-CB 4.16Å; Y472-F504 HydrophobicContact CE2-CD2 4.3Å; Y472-F504 HydrophobicContact CE2-CG 4.39Å; Y472-F504 HydrophobicContact CG-CB 3.84Å; Y472-F504 HydrophobicContact CG-CD1 4.3Å; Y472-F504 HydrophobicContact CG-CG 4.01Å; Y475-F504 HydrophobicContact CD1-CD2 4.17Å; Y475-F504 AromaticContact CD1-CE2 3.44Å; Y475-F504 HydrophobicContact CD1-CE2 3.44Å; Y475-F504 VanDerWaalsContact CD1-CE2 3.44Å; Y475-F504 HydrophobicContact CD1-CZ 4.02Å; Y475-F504 HydrophobicContact CD2-CE2 4.19Å; Y475-F504 HydrophobicContact CD2-CZ 4.27Å; Y475-F504 AromaticContact CE1-CE2 3.96Å; Y475-F504 HydrophobicContact CE1-CE2 3.96Å; Y475-F504 AromaticContact CG-CE2 3.58Å; Y475-F504 HydrophobicContact CG-CE2 3.58Å; Y475-F504 AromaticContact CG-CZ 3.69Å; Y475-F504 HydrophobicContact CG-CZ 3.69Å; S500-F504 VanDerWaalsContact O-CD2 3.3Å; S500-F504 WeakPolarHBondContact O-CD2 2.93Å; S500-F504 PolarHBondContact O-N 2.93Å; C501-F504 PolarHBondContact O-N 2.94Å; C501-F504 VanDerWaalsContact O-N 3.07Å; F504-T506 VanDerWaalsContact C-N 3.32Å; F504-T506 PolarHBondContact O-N 3.42Å
505	W	91.7	Very high	88.5	Confident	124 Å²	124	46.3 Å²	46.3	47%	0.47	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.8	-178.7	-82.8	84.7	0	0	0	114.6	Y472 C501 W503 V507 P508 L509	Y472-W505 AromaticContact CE1-NE1 3.99Å; Y472-W505 AromaticContact CZ-NE1 3.94Å; C501-W505 VanDerWaalsContact O-CD1 3.25Å; C501-W505 PolarHBondContact O-N 2.96Å; C501-W505 VanDerWaalsContact O-N 3.09Å; W503-W505 VanDerWaalsContact C-N 3.33Å; W503-W505 PolarHBondContact O-N 2.95Å; W505-V507 PolarHBondContact O-N 2.94Å; W505-P508 HydrophobicContact CE3-CB 4.17Å; W505-P508 WeakPolarHBondContact O-CD 3.43Å; W505-L509 HydrophobicContact CB-CD1 4.3Å; W505-L509 WeakPolarHBondContact O-CB 3.42Å; W505-L509 WeakPolarHBondContact O-CD1 3.38Å; W505-L509 WeakPolarHBondContact O-CG 3.27Å; W505-L509 PolarHBondContact O-N 3.14Å
506	T	91	Very high	87.7	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-55	-52.4	-179	55.5	0	0	0	0	113.6	W503 F504 L509 W510 I534	W503-T506 WeakPolarHBondContact O-CG2 3.45Å; W503-T506 PolarHBondContact O-OG1 2.89Å; F504-T506 VanDerWaalsContact C-N 3.32Å; F504-T506 PolarHBondContact O-N 3.42Å; T506-L509 WeakPolarHBondContact O-CB 3.45Å; T506-L509 PolarHBondContact O-N 3.39Å; T506-W510 PolarHBondContact O-N 3.28Å; T506-W510 PolarHBondContact O-NE1 3.2Å; T506-I534 HydrophobicContact CG2-CB 4.02Å; T506-I534 HydrophobicContact CG2-CD1 3.37Å; T506-I534 HydrophobicContact CG2-CG1 4.26Å; T506-I534 HydrophobicContact CG2-CG2 3.5Å
507	V	89.9	Confident	86.5	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-47.3	-177.3	-175.5	0	0	0	0	112.3	Y456 Y464 L465 Q468 W505 L509 W510 I511	Y456-V507 HydrophobicContact CD1-CG1 4.35Å; Y456-V507 HydrophobicContact CE1-CG1 4.42Å; Y464-V507 HydrophobicContact CD1-CG1 3.83Å; Y464-V507 HydrophobicContact CD1-CG2 4.14Å; Y464-V507 HydrophobicContact CE1-CB 4.39Å; Y464-V507 HydrophobicContact CE1-CG1 4.02Å; Y464-V507 HydrophobicContact CE1-CG2 3.46Å; Y464-V507 VanDerWaalsContact CE1-CG2 3.46Å; L465-V507 HydrophobicContact CB-CG1 4.4Å; L465-V507 HydrophobicContact CD1-CG1 4.34Å; Q468-V507 HydrophobicContact CB-CB 4.34Å; Q468-V507 HydrophobicContact CB-CG2 4.41Å; Q468-V507 HydrophobicContact CG-CB 4.13Å; Q468-V507 HydrophobicContact CG-CG2 4.05Å; W505-V507 PolarHBondContact O-N 2.94Å; V507-L509 PolarHBondContact O-N 2.82Å; V507-W510 PolarHBondContact O-N 2.97Å; V507-W510 VanDerWaalsContact O-N 3.17Å; V507-I511 HydrophobicContact CG1-CD1 4.45Å; V507-I511 PolarHBondContact O-N 2.82Å
508	P	91.1	Very high	84.9	Confident	12 Å²	12	51.8 Å²	51.8	8%	0.078	26%	0.263	C	S	.	.	H	α-helix	trans	-53	-41.4	169.8	-26.7	32	0	0	0	113.4	L465 L469 W505 I511 I512	L465-P508 HydrophobicContact CD1-CB 4.17Å; L465-P508 HydrophobicContact CD1-CG 3.74Å; L469-P508 HydrophobicContact CD2-CG 4.16Å; W505-P508 HydrophobicContact CE3-CB 4.17Å; W505-P508 WeakPolarHBondContact O-CD 3.43Å; P508-I511 PolarHBondContact O-N 3.44Å; P508-I512 VanDerWaalsContact O-CG1 3.31Å; P508-I512 WeakPolarHBondContact O-CG1 3.29Å; P508-I512 PolarHBondContact O-N 2.88Å; P508-I512 VanDerWaalsContact O-N 3.1Å
509	L	86.7	Confident	83.4	Confident	77 Å²	77	56.8 Å²	56.8	40%	0.403	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-40.8	178.3	-71.7	170.1	0	0	0	111.8	W505 T506 V507 I511 I512 L513	W505-L509 HydrophobicContact CB-CD1 4.3Å; W505-L509 WeakPolarHBondContact O-CB 3.42Å; W505-L509 WeakPolarHBondContact O-CD1 3.38Å; W505-L509 WeakPolarHBondContact O-CG 3.27Å; W505-L509 PolarHBondContact O-N 3.14Å; T506-L509 WeakPolarHBondContact O-CB 3.45Å; T506-L509 PolarHBondContact O-N 3.39Å; V507-L509 PolarHBondContact O-N 2.82Å; L509-I511 PolarHBondContact O-N 3.04Å; L509-I512 PolarHBondContact O-N 3.29Å; L509-L513 WeakPolarHBondContact O-CB 3.37Å; L509-L513 WeakPolarHBondContact O-CG 3.26Å; L509-L513 PolarHBondContact O-N 2.97Å
510	W	82.4	Confident	82.1	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-57.2	-47.7	175.5	-61.9	134.8	0	0	0	112.6	Y456 T506 V507 I512 L513 S514 I527 I530	Y456-W510 HydrophobicContact CD2-CB 4.33Å; Y456-W510 HydrophobicContact CE2-CB 4.45Å; T506-W510 PolarHBondContact O-N 3.28Å; T506-W510 PolarHBondContact O-NE1 3.2Å; V507-W510 PolarHBondContact O-N 2.97Å; V507-W510 VanDerWaalsContact O-N 3.17Å; W510-I512 PolarHBondContact O-N 3.24Å; W510-L513 HydrophobicContact CE3-CD1 4.01Å; W510-L513 HydrophobicContact CZ3-CD1 3.64Å; W510-L513 PolarHBondContact O-N 3.28Å; W510-S514 WeakPolarHBondContact O-CB 3.42Å; W510-S514 PolarHBondContact O-N 3.14Å; W510-S514 PolarHBondContact O-OG 2.63Å; W510-S514 VanDerWaalsContact O-OG 3.09Å; W510-I527 HydrophobicContact CD2-CB 4.32Å; W510-I527 HydrophobicContact CD2-CG1 4.07Å; W510-I527 HydrophobicContact CD2-CG2 4.05Å; W510-I527 HydrophobicContact CE3-CB 4.14Å; W510-I527 HydrophobicContact CE3-CG1 3.63Å; W510-I527 HydrophobicContact CE3-CG2 4.38Å; W510-I527 HydrophobicContact CG-CG1 4.46Å; W510-I527 HydrophobicContact CG-CG2 4.22Å; W510-I527 HydrophobicContact CZ3-CG1 4.47Å; W510-I530 HydrophobicContact CH2-CB 3.13Å; W510-I530 HydrophobicContact CH2-CD1 3.4Å; W510-I530 VanDerWaalsContact CH2-CD1 3.4Å; W510-I530 HydrophobicContact CH2-CG1 3.83Å; W510-I530 HydrophobicContact CH2-CG2 3.23Å; W510-I530 HydrophobicContact CZ2-CB 3.55Å; W510-I530 HydrophobicContact CZ2-CG2 3.56Å; W510-I530 HydrophobicContact CZ3-CB 4.06Å; W510-I530 HydrophobicContact CZ3-CD1 3.56Å; W510-I530 HydrophobicContact CZ3-CG1 4.37Å; W510-I530 HydrophobicContact CZ3-CG2 4.42Å
511	I	82.9	Confident	80.8	Confident	10 Å²	10	60 Å²	60	5%	0.051	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-40.4	-177.5	-67.5	170	0	0	0	110.8	L465 V507 P508 L509 S514 M515	L465-I511 HydrophobicContact CB-CD1 3.67Å; L465-I511 HydrophobicContact CD1-CD1 4.09Å; L465-I511 HydrophobicContact CD2-CD1 3.63Å; L465-I511 HydrophobicContact CG-CD1 3.97Å; V507-I511 HydrophobicContact CG1-CD1 4.45Å; V507-I511 PolarHBondContact O-N 2.82Å; P508-I511 PolarHBondContact O-N 3.44Å; L509-I511 PolarHBondContact O-N 3.04Å; I511-S514 WeakPolarHBondContact CA-OG 3.26Å; I511-S514 PolarHBondContact O-OG 2.94Å; I511-S514 VanDerWaalsContact O-OG 3.12Å; I511-M515 HydrophobicContact CG2-CG 4.47Å; I511-M515 HydrophobicContact CG2-SD 4.24Å; I511-M515 VanDerWaalsContact O-CB 3.3Å; I511-M515 WeakPolarHBondContact O-CB 3.41Å; I511-M515 WeakPolarHBondContact O-CG 3.15Å; I511-M515 PolarHBondContact O-N 3.2Å
512	I	84.5	Confident	79.8	Confident	85 Å²	85	63.3 Å²	63.3	44%	0.436	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-40.3	176.6	-66.4	166.6	0	0	0	111.1	P508 L509 W510 N516	P508-I512 VanDerWaalsContact O-CG1 3.31Å; P508-I512 WeakPolarHBondContact O-CG1 3.29Å; P508-I512 PolarHBondContact O-N 2.88Å; P508-I512 VanDerWaalsContact O-N 3.1Å; L509-I512 PolarHBondContact O-N 3.29Å; W510-I512 PolarHBondContact O-N 3.24Å; I512-N516 PolarHBondContact O-N 3.11Å; I512-N516 PolarHBondContact O-ND2 2.89Å
513	L	81	Confident	79	Confident	56 Å²	56	59.5 Å²	59.5	29%	0.293	27%	0.271	S	S	.	.	H	α-helix	trans	-66.5	-46.2	177.5	-73.1	169.8	0	0	0	111	L509 W510 M515 N516 Y517	L509-L513 WeakPolarHBondContact O-CB 3.37Å; L509-L513 WeakPolarHBondContact O-CG 3.26Å; L509-L513 PolarHBondContact O-N 2.97Å; W510-L513 HydrophobicContact CE3-CD1 4.01Å; W510-L513 HydrophobicContact CZ3-CD1 3.64Å; W510-L513 PolarHBondContact O-N 3.28Å; L513-M515 VanDerWaalsContact C-N 3.31Å; L513-M515 PolarHBondContact O-N 3.24Å; L513-N516 PolarHBondContact O-N 3.4Å; L513-Y517 HydrophobicContact CD2-CD2 4.27Å; L513-Y517 HydrophobicContact CD2-CE2 4.1Å; L513-Y517 WeakPolarHBondContact O-CB 3.31Å; L513-Y517 WeakPolarHBondContact O-CD2 3.38Å; L513-Y517 PolarHBondContact O-N 3.07Å
514	S	77	Confident	78.2	Confident	10 Å²	10	60.2 Å²	60.2	7%	0.07	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-30.1	178.9	64.1	0	0	0	0	112.8	H457 W510 I511	H457-S514 PolarHBondContact NE2-OG 3.11Å; W510-S514 WeakPolarHBondContact O-CB 3.42Å; W510-S514 PolarHBondContact O-N 3.14Å; W510-S514 PolarHBondContact O-OG 2.63Å; W510-S514 VanDerWaalsContact O-OG 3.09Å; I511-S514 WeakPolarHBondContact CA-OG 3.26Å; I511-S514 PolarHBondContact O-OG 2.94Å; I511-S514 VanDerWaalsContact O-OG 3.12Å
515	M	76.1	Confident	77.7	Confident	100 Å²	100	60.5 Å²	60.5	49%	0.493	28%	0.277	S	S	.	.	H	α-helix	trans	-67.9	-41.9	174.2	-81.1	-174.7	139.3	0	0	113.7	I511 L513 I518	I511-M515 HydrophobicContact CG2-CG 4.47Å; I511-M515 HydrophobicContact CG2-SD 4.24Å; I511-M515 VanDerWaalsContact O-CB 3.3Å; I511-M515 WeakPolarHBondContact O-CB 3.41Å; I511-M515 WeakPolarHBondContact O-CG 3.15Å; I511-M515 PolarHBondContact O-N 3.2Å; L513-M515 VanDerWaalsContact C-N 3.31Å; L513-M515 PolarHBondContact O-N 3.24Å; M515-I518 WeakPolarHBondContact O-CD1 3.43Å; M515-I518 VanDerWaalsContact O-CG1 3.27Å; M515-I518 WeakPolarHBondContact O-CG1 3.29Å
516	N	73.7	Confident	77.3	Confident	118 Å²	118	57 Å²	57	63%	0.631	27%	0.267	S	S	*	.	H	α-helix	trans	-84.4	-28.1	-175.7	-71.3	-45.3	0	0	0	112.5	I512 L513	I512-N516 PolarHBondContact O-N 3.11Å; I512-N516 PolarHBondContact O-ND2 2.89Å; L513-N516 PolarHBondContact O-N 3.4Å
517	Y	66.6	Low	77	Confident	135 Å²	135	57 Å²	57	53%	0.529	27%	0.267	S	S	.	.			trans	-116	60.4	-174.3	-61.4	-79.5	0	0	0	110.7	L513 Y519 M523	L513-Y517 HydrophobicContact CD2-CD2 4.27Å; L513-Y517 HydrophobicContact CD2-CE2 4.1Å; L513-Y517 WeakPolarHBondContact O-CB 3.31Å; L513-Y517 WeakPolarHBondContact O-CD2 3.38Å; L513-Y517 PolarHBondContact O-N 3.07Å; Y517-Y519 PolarHBondContact O-N 3.01Å; Y517-M523 HydrophobicContact CG-CE 4.11Å
518	I	58.4	Low	76.8	Confident	75 Å²	75	58.5 Å²	58.5	39%	0.385	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.4	-174.1	-69	166.4	0	0	0	113.8	M515	M515-I518 WeakPolarHBondContact O-CD1 3.43Å; M515-I518 VanDerWaalsContact O-CG1 3.27Å; M515-I518 WeakPolarHBondContact O-CG1 3.29Å
519	Y	59.6	Low	76.8	Confident	166 Å²	166	59.9 Å²	59.9	65%	0.651	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	11.7	-168.4	-66	-73.2	0	0	0	116.6	Y517 W521	Y517-Y519 PolarHBondContact O-N 3.01Å; Y519-W521 PolarHBondContact O-N 2.97Å
520	T	66.1	Low	76.9	Confident	33 Å²	33	58.6 Å²	58.6	20%	0.202	27%	0.272	C	S	.	.			trans	-78.3	127.4	176	87.9	0	0	0	0	110.7	Y522 M523	T520-Y522 HydrophobicContact CG2-CE1 4.22Å; T520-Y522 PolarHBondContact O-N 3.39Å; T520-M523 HydrophobicContact CG2-CE 3.36Å; T520-M523 PolarHBondContact O-N 3.39Å; T520-M523 WeakPolarHBondContact OG1-CE 3.18Å; T520-M523 WeakPolarHBondContact OG1-CG 3.43Å; T520-M523 PolarHBondContact OG1-SD 3.5Å
521	W	64.4	Low	77.3	Confident	104 Å²	104	59 Å²	59	39%	0.394	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	10.6	176.1	61.9	-86.4	0	0	0	113.2	L59 P255 S310 Q311 F313 Y519	L59-W521 HydrophobicContact CD2-CB 4.32Å; L59-W521 HydrophobicContact CD2-CD2 3.47Å; L59-W521 VanDerWaalsContact CD2-CD2 3.47Å; L59-W521 HydrophobicContact CD2-CE3 3.3Å; L59-W521 HydrophobicContact CD2-CG 3.93Å; L59-W521 HydrophobicContact CD2-CH2 4.42Å; L59-W521 HydrophobicContact CD2-CZ3 3.83Å; P255-W521 HydrophobicContact CB-CB 3.55Å; P255-W521 HydrophobicContact CB-CG 4.14Å; P255-W521 HydrophobicContact CG-CB 3.86Å; P255-W521 HydrophobicContact CG-CG 4.02Å; S310-W521 CarbonylContact C-O 3.6Å; Q311-W521 WeakPolarHBondContact CA-O 3.46Å; Q311-W521 PolarHBondContact N-O 3.21Å; F313-W521 HydrophobicContact CB-CE3 4.43Å; F313-W521 HydrophobicContact CB-CZ3 3.97Å; F313-W521 HydrophobicContact CD2-CE3 4.1Å; F313-W521 AromaticContact CD2-CZ3 3.81Å; F313-W521 HydrophobicContact CD2-CZ3 3.81Å; F313-W521 HydrophobicContact CG-CZ3 4.38Å; Y519-W521 PolarHBondContact O-N 2.97Å
522	Y	72.1	Confident	77.7	Confident	97 Å²	97	58.6 Å²	58.6	38%	0.38	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	18.7	179.8	58.7	-91.3	0	0	0	112.1	T520 E524 T525 L526	T520-Y522 HydrophobicContact CG2-CE1 4.22Å; T520-Y522 PolarHBondContact O-N 3.39Å; Y522-E524 PolarHBondContact O-N 3Å; Y522-T525 PolarHBondContact O-N 3.21Å; Y522-L526 HydrophobicContact CD2-CB 4.14Å; Y522-L526 HydrophobicContact CE2-CB 4.5Å; Y522-L526 HydrophobicContact CE2-CD2 4.24Å; Y522-L526 WeakPolarHBondContact O-CB 3.46Å; Y522-L526 PolarHBondContact O-N 2.79Å
523	M	76	Confident	78.1	Confident	25 Å²	25	59.3 Å²	59.3	12%	0.123	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-46.6	-173.6	-87.2	-55.3	149.6	0	0	113.6	Y517 T520 L526 I527	Y517-M523 HydrophobicContact CG-CE 4.11Å; T520-M523 HydrophobicContact CG2-CE 3.36Å; T520-M523 PolarHBondContact O-N 3.39Å; T520-M523 WeakPolarHBondContact OG1-CE 3.18Å; T520-M523 WeakPolarHBondContact OG1-CG 3.43Å; T520-M523 PolarHBondContact OG1-SD 3.5Å; M523-L526 PolarHBondContact O-N 2.94Å; M523-L526 HydrophobicContact SD-CD2 4.39Å; M523-I527 VanDerWaalsContact O-CG1 3.25Å; M523-I527 WeakPolarHBondContact O-CG1 3.22Å; M523-I527 PolarHBondContact O-N 2.98Å
524	E	76.8	Confident	78.7	Confident	24 Å²	24	58.3 Å²	58.3	11%	0.112	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-41.3	-178.8	-70.5	-65.3	144.7	0	0	111.1	S454 R455 Y522 L526 I527 R528	S454-E524 WeakPolarHBondContact CA-OE1 3.18Å; S454-E524 VanDerWaalsContact CB-OE1 3.31Å; S454-E524 WeakPolarHBondContact CB-OE1 3.41Å; S454-E524 PolarHBondContact OG-OE1 3.05Å; R455-E524 PolarHBondContact N-OE1 2.8Å; R455-E524 IonicContact NE-OE2 3.98Å; Y522-E524 PolarHBondContact O-N 3Å; E524-L526 PolarHBondContact O-N 2.82Å; E524-I527 PolarHBondContact O-N 3.4Å; E524-R528 WeakPolarHBondContact O-CB 3.49Å; E524-R528 PolarHBondContact O-N 2.93Å
525	T	83	Confident	79.5	Confident	10 Å²	10	58 Å²	58	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-42.7	172.4	-53.6	0	0	0	0	111.7	Q311 F313 I318 Y522 R528 I529	Q311-T525 PolarHBondContact O-OG1 3.32Å; F313-T525 WeakPolarHBondContact O-CG2 3.42Å; F313-T525 PolarHBondContact O-OG1 3.49Å; I318-T525 HydrophobicContact CG1-CG2 3.93Å; Y522-T525 PolarHBondContact O-N 3.21Å; T525-R528 WeakPolarHBondContact O-CB 3.5Å; T525-R528 PolarHBondContact O-N 2.9Å; T525-I529 HydrophobicContact CG2-CD1 4.08Å; T525-I529 HydrophobicContact CG2-CG1 4.45Å; T525-I529 VanDerWaalsContact O-CG1 3.23Å; T525-I529 WeakPolarHBondContact O-CG1 3.33Å; T525-I529 PolarHBondContact O-N 3.03Å
526	L	84.1	Confident	80.4	Confident	50 Å²	50	55 Å²	55	26%	0.262	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-46.5	178.5	-178.6	66	0	0	0	112.5	Y522 M523 E524 R528 I529 I530	Y522-L526 HydrophobicContact CD2-CB 4.14Å; Y522-L526 HydrophobicContact CE2-CB 4.5Å; Y522-L526 HydrophobicContact CE2-CD2 4.24Å; Y522-L526 WeakPolarHBondContact O-CB 3.46Å; Y522-L526 PolarHBondContact O-N 2.79Å; M523-L526 PolarHBondContact O-N 2.94Å; M523-L526 HydrophobicContact SD-CD2 4.39Å; E524-L526 PolarHBondContact O-N 2.82Å; L526-R528 VanDerWaalsContact C-N 3.27Å; L526-R528 PolarHBondContact O-N 3.31Å; L526-I529 PolarHBondContact O-N 3.32Å; L526-I530 HydrophobicContact CD1-CD1 3.87Å; L526-I530 HydrophobicContact CD1-CG1 4.44Å; L526-I530 HydrophobicContact CG-CD1 4.03Å; L526-I530 WeakPolarHBondContact O-CG1 3.45Å; L526-I530 PolarHBondContact O-N 3.08Å; L526-I530 VanDerWaalsContact O-N 3.14Å
527	I	84.8	Confident	81.5	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-47.8	174.6	-72	167.4	0	0	0	109.3	S454 Y456 W510 M523 E524 I530 D531	S454-I527 WeakPolarHBondContact OG-CD1 3.3Å; Y456-I527 HydrophobicContact CD2-CD1 4.27Å; Y456-I527 HydrophobicContact CE2-CD1 4.29Å; Y456-I527 HydrophobicContact CE2-CG2 3.66Å; W510-I527 HydrophobicContact CD2-CB 4.32Å; W510-I527 HydrophobicContact CD2-CG1 4.07Å; W510-I527 HydrophobicContact CD2-CG2 4.05Å; W510-I527 HydrophobicContact CE3-CB 4.14Å; W510-I527 HydrophobicContact CE3-CG1 3.63Å; W510-I527 HydrophobicContact CE3-CG2 4.38Å; W510-I527 HydrophobicContact CG-CG1 4.46Å; W510-I527 HydrophobicContact CG-CG2 4.22Å; W510-I527 HydrophobicContact CZ3-CG1 4.47Å; M523-I527 VanDerWaalsContact O-CG1 3.25Å; M523-I527 WeakPolarHBondContact O-CG1 3.22Å; M523-I527 PolarHBondContact O-N 2.98Å; E524-I527 PolarHBondContact O-N 3.4Å; I527-I530 PolarHBondContact O-N 2.04Å; I527-D531 VanDerWaalsContact O-CB 3.27Å; I527-D531 WeakPolarHBondContact O-CB 3.38Å; I527-D531 PolarHBondContact O-N 3.02Å
528	R	85.9	Confident	82.8	Confident	32 Å²	32	44.8 Å²	44.8	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-48.1	179.2	-177.3	65.1	168.5	146.8	10.7	112	I318 D319 Y392 E524 T525 L526 I530 D531 E532	I318-R528 HydrophobicContact CG2-CG 4.19Å; D319-R528 IonicContact OD1-CZ 3.46Å; D319-R528 IonicContact OD1-NE 3.96Å; D319-R528 PolarHBondContact OD1-NE 3.45Å; D319-R528 IonicContact OD1-NH2 2.75Å; D319-R528 PolarHBondContact OD1-NH2 2.89Å; Y392-R528 PolarHBondContact OH-NH2 3.16Å; E524-R528 WeakPolarHBondContact O-CB 3.49Å; E524-R528 PolarHBondContact O-N 2.93Å; T525-R528 WeakPolarHBondContact O-CB 3.5Å; T525-R528 PolarHBondContact O-N 2.9Å; L526-R528 VanDerWaalsContact C-N 3.27Å; L526-R528 PolarHBondContact O-N 3.31Å; R528-I530 PolarHBondContact O-N 2.95Å; R528-D531 PolarHBondContact O-N 3.34Å; R528-E532 IonicContact CZ-OE1 3.83Å; R528-E532 IonicContact NH1-OE1 3.41Å; R528-E532 PolarHBondContact NH1-OE1 3.35Å; R528-E532 IonicContact NH2-OE1 3.65Å; R528-E532 WeakPolarHBondContact O-CB 3.06Å; R528-E532 WeakPolarHBondContact O-CG 3.38Å; R528-E532 PolarHBondContact O-N 3.38Å
529	I	89.9	Confident	84.5	Confident	41 Å²	41	41.2 Å²	41.2	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-54.1	-53.9	179.3	-74.1	168.3	0	0	0	110.6	I318 F322 T525 L526 E532 F533	I318-I529 HydrophobicContact CB-CG1 4.3Å; I318-I529 HydrophobicContact CD1-CD1 3.66Å; I318-I529 HydrophobicContact CD1-CG1 3.55Å; I318-I529 HydrophobicContact CG1-CD1 3.8Å; I318-I529 HydrophobicContact CG1-CG1 3.57Å; I318-I529 HydrophobicContact CG2-CG1 3.73Å; F322-I529 WeakPolarHBondContact CZ-O 3.14Å; T525-I529 HydrophobicContact CG2-CD1 4.08Å; T525-I529 HydrophobicContact CG2-CG1 4.45Å; T525-I529 VanDerWaalsContact O-CG1 3.23Å; T525-I529 WeakPolarHBondContact O-CG1 3.33Å; T525-I529 PolarHBondContact O-N 3.03Å; L526-I529 PolarHBondContact O-N 3.32Å; I529-E532 PolarHBondContact O-N 3.05Å; I529-F533 HydrophobicContact CG2-CD2 3.57Å; I529-F533 HydrophobicContact CG2-CE2 3.6Å; I529-F533 WeakPolarHBondContact O-CD2 3.41Å; I529-F533 PolarHBondContact O-N 3.13Å
530	I	89.4	Confident	86.1	Confident	51 Å²	51	36.5 Å²	36.5	26%	0.262	18%	0.179	S	C	.	.	H	α-helix	trans	-77.4	-35.1	-171.5	-56.6	162.2	0	0	0	111	W510 L526 I527 R528 E532 F533 I534	W510-I530 HydrophobicContact CH2-CB 3.13Å; W510-I530 HydrophobicContact CH2-CD1 3.4Å; W510-I530 VanDerWaalsContact CH2-CD1 3.4Å; W510-I530 HydrophobicContact CH2-CG1 3.83Å; W510-I530 HydrophobicContact CH2-CG2 3.23Å; W510-I530 HydrophobicContact CZ2-CB 3.55Å; W510-I530 HydrophobicContact CZ2-CG2 3.56Å; W510-I530 HydrophobicContact CZ3-CB 4.06Å; W510-I530 HydrophobicContact CZ3-CD1 3.56Å; W510-I530 HydrophobicContact CZ3-CG1 4.37Å; W510-I530 HydrophobicContact CZ3-CG2 4.42Å; L526-I530 HydrophobicContact CD1-CD1 3.87Å; L526-I530 HydrophobicContact CD1-CG1 4.44Å; L526-I530 HydrophobicContact CG-CD1 4.03Å; L526-I530 WeakPolarHBondContact O-CG1 3.45Å; L526-I530 PolarHBondContact O-N 3.08Å; L526-I530 VanDerWaalsContact O-N 3.14Å; I527-I530 PolarHBondContact O-N 2.04Å; R528-I530 PolarHBondContact O-N 2.95Å; I530-E532 VanDerWaalsContact C-N 3.31Å; I530-E532 PolarHBondContact O-N 2.8Å; I530-F533 PolarHBondContact O-N 3.49Å; I530-I534 HydrophobicContact CG2-CD1 3.6Å; I530-I534 HydrophobicContact CG2-CG1 4.08Å; I530-I534 WeakPolarHBondContact O-CB 3.45Å; I530-I534 VanDerWaalsContact O-CG1 3.29Å; I530-I534 WeakPolarHBondContact O-CG1 3.29Å; I530-I534 PolarHBondContact O-N 3.31Å
531	D	90.1	Very high	87.3	Confident	14 Å²	14	38 Å²	38	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-48.8	172.3	-172.5	64.3	0	0	0	110.7	R360 I527 R528 I534 H535	R360-D531 IonicContact CZ-OD2 3.44Å; R360-D531 IonicContact NH2-OD2 3.21Å; R360-D531 PolarHBondContact NH2-OD2 3.04Å; I527-D531 VanDerWaalsContact O-CB 3.27Å; I527-D531 WeakPolarHBondContact O-CB 3.38Å; I527-D531 PolarHBondContact O-N 3.02Å; R528-D531 PolarHBondContact O-N 3.34Å; D531-I534 PolarHBondContact O-N 2.95Å; D531-H535 PolarHBondContact O-N 2.64Å; D531-H535 VanDerWaalsContact O-N 3.08Å; D531-H535 PolarHBondContact O-ND1 3.39Å; D531-H535 IonicContact OD1-CE1 2.89Å; D531-H535 PolarHBondContact OD1-CE1 2.96Å; D531-H535 IonicContact OD1-ND1 3.47Å; D531-H535 PolarHBondContact OD1-ND1 3.43Å; D531-H535 IonicContact OD2-CE1 3.87Å; D531-H535 IonicContact OD2-ND1 3.45Å
532	E	92.3	Very high	88.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-40.3	178.2	-72.4	-58.9	153.1	0	0	112.7	F322 R360 R528 I529 I530 I534 H535 F536	F322-E532 HydrophobicContact CB-CG 4.46Å; F322-E532 HydrophobicContact CD1-CB 3.52Å; F322-E532 HydrophobicContact CD1-CG 4.33Å; F322-E532 HydrophobicContact CD2-CB 3.61Å; F322-E532 HydrophobicContact CD2-CG 3.94Å; F322-E532 HydrophobicContact CE1-CB 3.42Å; F322-E532 VanDerWaalsContact CE1-CB 3.42Å; F322-E532 HydrophobicContact CE2-CB 3.53Å; F322-E532 HydrophobicContact CE2-CG 4.26Å; F322-E532 HydrophobicContact CG-CB 3.61Å; F322-E532 HydrophobicContact CG-CG 3.98Å; F322-E532 HydrophobicContact CZ-CB 3.42Å; F322-E532 VanDerWaalsContact CZ-CB 3.42Å; R360-E532 IonicContact CZ-OE1 3.96Å; R360-E532 IonicContact CZ-OE2 2.79Å; R360-E532 IonicContact NE-OE1 2.67Å; R360-E532 PolarHBondContact NE-OE1 2.96Å; R360-E532 IonicContact NE-OE2 3.26Å; R360-E532 PolarHBondContact NE-OE2 2.99Å; R360-E532 VanDerWaalsContact NH2-CD 3.28Å; R360-E532 IonicContact NH2-OE1 3.34Å; R360-E532 PolarHBondContact NH2-OE1 2.8Å; R360-E532 IonicContact NH2-OE2 3.52Å; R360-E532 PolarHBondContact NH2-OE2 2.72Å; R528-E532 IonicContact CZ-OE1 3.83Å; R528-E532 IonicContact NH1-OE1 3.41Å; R528-E532 PolarHBondContact NH1-OE1 3.35Å; R528-E532 IonicContact NH2-OE1 3.65Å; R528-E532 WeakPolarHBondContact O-CB 3.06Å; R528-E532 WeakPolarHBondContact O-CG 3.38Å; R528-E532 PolarHBondContact O-N 3.38Å; I529-E532 PolarHBondContact O-N 3.05Å; I530-E532 VanDerWaalsContact C-N 3.31Å; I530-E532 PolarHBondContact O-N 2.8Å; E532-I534 VanDerWaalsContact C-N 3.33Å; E532-I534 PolarHBondContact O-N 3.37Å; E532-H535 PolarHBondContact O-N 3.21Å; E532-F536 WeakPolarHBondContact O-CB 3.34Å; E532-F536 PolarHBondContact O-N 3Å
533	F	93.4	Very high	89.3	Confident	101 Å²	101	31 Å²	31	44%	0.443	16%	0.161	S	C	.	.	H	α-helix	trans	-60.6	-40.9	174.9	-89.9	-60.5	0	0	0	112.8	F322 I529 I530 G537	F322-F533 HydrophobicContact CE1-CD1 4.17Å; F322-F533 HydrophobicContact CE1-CD2 4.43Å; F322-F533 HydrophobicContact CE1-CE1 4.35Å; F322-F533 HydrophobicContact CE1-CG 4.19Å; F322-F533 HydrophobicContact CZ-CB 4.47Å; F322-F533 HydrophobicContact CZ-CD1 4.16Å; F322-F533 AromaticContact CZ-CD2 3.65Å; F322-F533 HydrophobicContact CZ-CD2 3.65Å; F322-F533 HydrophobicContact CZ-CE1 4.28Å; F322-F533 AromaticContact CZ-CE2 3.78Å; F322-F533 HydrophobicContact CZ-CE2 3.78Å; F322-F533 AromaticContact CZ-CG 3.83Å; F322-F533 HydrophobicContact CZ-CG 3.83Å; F322-F533 HydrophobicContact CZ-CZ 4.09Å; I529-F533 HydrophobicContact CG2-CD2 3.57Å; I529-F533 HydrophobicContact CG2-CE2 3.6Å; I529-F533 WeakPolarHBondContact O-CD2 3.41Å; I529-F533 PolarHBondContact O-N 3.13Å; I530-F533 PolarHBondContact O-N 3.49Å; F533-G537 PolarHBondContact O-N 3.16Å
534	I	93.8	Very high	89.8	Confident	34 Å²	34	33.7 Å²	33.7	17%	0.174	18%	0.178	C	C	.	.	H	α-helix	trans	-71.4	-38.1	-178.6	-67.1	174	0	0	0	110.8	W503 T506 I530 D531 E532 G538	W503-I534 HydrophobicContact CB-CG2 4.36Å; T506-I534 HydrophobicContact CG2-CB 4.02Å; T506-I534 HydrophobicContact CG2-CD1 3.37Å; T506-I534 HydrophobicContact CG2-CG1 4.26Å; T506-I534 HydrophobicContact CG2-CG2 3.5Å; I530-I534 HydrophobicContact CG2-CD1 3.6Å; I530-I534 HydrophobicContact CG2-CG1 4.08Å; I530-I534 WeakPolarHBondContact O-CB 3.45Å; I530-I534 VanDerWaalsContact O-CG1 3.29Å; I530-I534 WeakPolarHBondContact O-CG1 3.29Å; I530-I534 PolarHBondContact O-N 3.31Å; D531-I534 PolarHBondContact O-N 2.95Å; E532-I534 VanDerWaalsContact C-N 3.33Å; E532-I534 PolarHBondContact O-N 3.37Å; I534-G538 PolarHBondContact O-N 3.34Å
535	H	93.9	Very high	90.2	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.019	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-46.8	172.7	-73.7	91.6	0	0	0	111.9	W503 D531 E532 G537 G538 F539	W503-H535 AromaticContact CE2-NE2 3.94Å; W503-H535 AromaticContact NE1-CD2 3.48Å; W503-H535 PolarHBondContact NE1-CD2 2.96Å; W503-H535 AromaticContact NE1-CE1 3.78Å; W503-H535 AromaticContact NE1-NE2 3.08Å; W503-H535 PolarHBondContact NE1-NE2 3.34Å; D531-H535 PolarHBondContact O-N 2.64Å; D531-H535 VanDerWaalsContact O-N 3.08Å; D531-H535 PolarHBondContact O-ND1 3.39Å; D531-H535 IonicContact OD1-CE1 2.89Å; D531-H535 PolarHBondContact OD1-CE1 2.96Å; D531-H535 IonicContact OD1-ND1 3.47Å; D531-H535 PolarHBondContact OD1-ND1 3.43Å; D531-H535 IonicContact OD2-CE1 3.87Å; D531-H535 IonicContact OD2-ND1 3.45Å; E532-H535 PolarHBondContact O-N 3.21Å; H535-G537 PolarHBondContact O-N 3.32Å; H535-G538 PolarHBondContact O-N 3Å; H535-G538 VanDerWaalsContact O-N 3.16Å; H535-F539 HydrophobicContact CB-CE2 4.24Å; H535-F539 WeakPolarHBondContact O-CD2 3.27Å; H535-F539 VanDerWaalsContact O-CG 3.25Å; H535-F539 WeakPolarHBondContact O-CG 3.34Å; H535-F539 PolarHBondContact O-N 2.8Å
536	F	95.2	Very high	90	Very high	38 Å²	38	35.1 Å²	35.1	17%	0.167	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-48.5	175.9	-179.4	-102.4	0	0	0	111.7	L325 L326 L329 E532 F539 I540	L325-F536 HydrophobicContact CB-CD2 4.36Å; L325-F536 HydrophobicContact CB-CE2 3.92Å; L325-F536 HydrophobicContact CB-CZ 4.25Å; L325-F536 HydrophobicContact CD2-CZ 4.48Å; L325-F536 WeakPolarHBondContact O-CE2 3.49Å; L326-F536 HydrophobicContact CD2-CD2 4.16Å; L329-F536 HydrophobicContact CB-CE2 3.98Å; L329-F536 HydrophobicContact CD2-CD2 3.88Å; L329-F536 HydrophobicContact CD2-CE2 3.97Å; E532-F536 WeakPolarHBondContact O-CB 3.34Å; E532-F536 PolarHBondContact O-N 3Å; F536-F539 PolarHBondContact O-N 3.45Å; F536-I540 HydrophobicContact CD1-CD1 3.83Å; F536-I540 HydrophobicContact CE1-CD1 3.34Å; F536-I540 HydrophobicContact CE2-CD1 4.32Å; F536-I540 HydrophobicContact CZ-CD1 3.62Å; F536-I540 WeakPolarHBondContact O-CG1 3.43Å; F536-I540 PolarHBondContact O-N 3.1Å; F536-I540 VanDerWaalsContact O-N 3.08Å
537	G	94.8	Very high	89.5	Confident	24 Å²	24	38.3 Å²	38.3	25%	0.247	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-44.1	174.2	0	0	0	0	0	112.4	F533 H535 F539 I540 I541	F533-G537 PolarHBondContact O-N 3.16Å; H535-G537 PolarHBondContact O-N 3.32Å; G537-F539 VanDerWaalsContact C-N 3.33Å; G537-F539 PolarHBondContact O-N 2.99Å; G537-I540 PolarHBondContact O-N 2.89Å; G537-I541 WeakPolarHBondContact O-CB 3.38Å; G537-I541 WeakPolarHBondContact O-CD1 3.47Å; G537-I541 WeakPolarHBondContact O-CG1 3.48Å; G537-I541 PolarHBondContact O-N 2.89Å
538	G	94	Very high	88.4	Confident	14 Å²	14	39.5 Å²	39.5	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-41.7	176	0	0	0	0	0	112.9	I534 H535 I541 M542	I534-G538 PolarHBondContact O-N 3.34Å; H535-G538 PolarHBondContact O-N 3Å; H535-G538 VanDerWaalsContact O-N 3.16Å; G538-I541 PolarHBondContact O-N 3.08Å; G538-M542 WeakPolarHBondContact O-CB 3.29Å; G538-M542 WeakPolarHBondContact O-CG 3.2Å; G538-M542 PolarHBondContact O-N 2.75Å
539	F	94.9	Very high	87	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-42.6	175.9	-65	-36.4	0	0	0	112.8	L326 L329 W353 S356 I357 R360 F399 H535 F536 G537 M542 M543	L326-F539 HydrophobicContact CD2-CD2 4.27Å; L326-F539 HydrophobicContact CD2-CE2 4.29Å; L329-F539 HydrophobicContact CD2-CB 3.61Å; L329-F539 HydrophobicContact CD2-CD2 4.12Å; L329-F539 HydrophobicContact CD2-CG 4.34Å; W353-F539 PolarHBondContact NE1-O 3.04Å; W353-F539 VanDerWaalsContact NE1-O 3.14Å; S356-F539 VanDerWaalsContact OG-CE1 3.28Å; S356-F539 WeakPolarHBondContact OG-CE1 3.44Å; I357-F539 HydrophobicContact CD1-CB 4.02Å; I357-F539 HydrophobicContact CD1-CD1 4.38Å; I357-F539 HydrophobicContact CD1-CG 4.15Å; I357-F539 HydrophobicContact CG1-CB 4.12Å; I357-F539 HydrophobicContact CG1-CD1 3.71Å; I357-F539 HydrophobicContact CG1-CD2 3.98Å; I357-F539 HydrophobicContact CG1-CE1 4.07Å; I357-F539 HydrophobicContact CG1-CE2 4.31Å; I357-F539 HydrophobicContact CG1-CG 3.68Å; I357-F539 HydrophobicContact CG1-CZ 4.36Å; R360-F539 HydrophobicContact CB-CE2 4.11Å; R360-F539 HydrophobicContact CB-CZ 4.23Å; R360-F539 HydrophobicContact CG-CE2 4.07Å; R360-F539 HydrophobicContact CG-CZ 4.4Å; F399-F539 HydrophobicContact CB-CE1 4.45Å; F399-F539 AromaticContact CD2-CD1 3.76Å; F399-F539 HydrophobicContact CD2-CD1 3.76Å; F399-F539 AromaticContact CD2-CE1 3.58Å; F399-F539 HydrophobicContact CD2-CE1 3.58Å; F399-F539 AromaticContact CE2-CD1 3.83Å; F399-F539 HydrophobicContact CE2-CD1 3.83Å; F399-F539 HydrophobicContact CE2-CE1 4.1Å; F399-F539 HydrophobicContact CG-CE1 4.2Å; H535-F539 HydrophobicContact CB-CE2 4.24Å; H535-F539 WeakPolarHBondContact O-CD2 3.27Å; H535-F539 VanDerWaalsContact O-CG 3.25Å; H535-F539 WeakPolarHBondContact O-CG 3.34Å; H535-F539 PolarHBondContact O-N 2.8Å; F536-F539 PolarHBondContact O-N 3.45Å; G537-F539 VanDerWaalsContact C-N 3.33Å; G537-F539 PolarHBondContact O-N 2.99Å; F539-M542 PolarHBondContact O-N 2.91Å; F539-M543 WeakPolarHBondContact O-CB 3.41Å; F539-M543 PolarHBondContact O-N 3.1Å
540	I	93.9	Very high	85.3	Confident	66 Å²	66	47.3 Å²	47.3	34%	0.338	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-46	175.5	-70.1	173.1	0	0	0	110.6	L329 F536 G537 M542 M543 V544	L329-I540 HydrophobicContact CD1-CG1 4.02Å; L329-I540 HydrophobicContact CD2-CG1 4.42Å; F536-I540 HydrophobicContact CD1-CD1 3.83Å; F536-I540 HydrophobicContact CE1-CD1 3.34Å; F536-I540 HydrophobicContact CE2-CD1 4.32Å; F536-I540 HydrophobicContact CZ-CD1 3.62Å; F536-I540 WeakPolarHBondContact O-CG1 3.43Å; F536-I540 PolarHBondContact O-N 3.1Å; F536-I540 VanDerWaalsContact O-N 3.08Å; G537-I540 PolarHBondContact O-N 2.89Å; I540-M542 VanDerWaalsContact C-N 3.35Å; I540-M542 PolarHBondContact O-N 3.36Å; I540-M543 VanDerWaalsContact O-CB 3.25Å; I540-M543 WeakPolarHBondContact O-CB 3.41Å; I540-M543 PolarHBondContact O-N 2.95Å; I540-M543 VanDerWaalsContact O-N 3.16Å; I540-V544 WeakPolarHBondContact O-CG2 3.49Å; I540-V544 PolarHBondContact O-N 2.98Å
541	I	91.6	Very high	83.5	Confident	64 Å²	64	45.3 Å²	45.3	33%	0.328	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-44.5	179.7	-71.4	167	0	0	0	110.4	I499 G537 G538 M543 V544 F545	I499-I541 HydrophobicContact CG2-CD1 3.72Å; I499-I541 HydrophobicContact CG2-CG2 3.8Å; G537-I541 WeakPolarHBondContact O-CB 3.38Å; G537-I541 WeakPolarHBondContact O-CD1 3.47Å; G537-I541 WeakPolarHBondContact O-CG1 3.48Å; G537-I541 PolarHBondContact O-N 2.89Å; G538-I541 PolarHBondContact O-N 3.08Å; I541-M543 VanDerWaalsContact C-N 3.32Å; I541-M543 PolarHBondContact O-N 2.89Å; I541-V544 WeakPolarHBondContact O-CB 3.23Å; I541-V544 PolarHBondContact O-N 3.01Å; I541-F545 HydrophobicContact CG2-CD2 3.67Å; I541-F545 HydrophobicContact CG2-CE2 3.37Å; I541-F545 HydrophobicContact CG2-CZ 4.42Å; I541-F545 VanDerWaalsContact O-CD2 3.28Å; I541-F545 WeakPolarHBondContact O-CD2 3.28Å; I541-F545 PolarHBondContact O-N 3.29Å
542	M	89	Confident	81.4	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-40.3	173.5	-80.4	-61.4	-161.8	0	0	112.4	W353 F399 L403 L406 F496 G538 F539 I540 V544 F545 L546	W353-M542 VanDerWaalsContact CD1-CB 3.43Å; W353-M542 HydrophobicContact CG-CB 4.38Å; F399-M542 HydrophobicContact CE2-CE 4.49Å; F399-M542 HydrophobicContact CE2-CG 3.72Å; F399-M542 HydrophobicContact CZ-CG 4.24Å; L403-M542 HydrophobicContact CB-CE 4.32Å; L403-M542 HydrophobicContact CD2-CE 3.22Å; L403-M542 HydrophobicContact CG-CE 3.58Å; L406-M542 HydrophobicContact CD2-CE 4.25Å; L406-M542 HydrophobicContact CD2-SD 3.76Å; F496-M542 HydrophobicContact CE2-CE 3.94Å; F496-M542 HydrophobicContact CE2-SD 4.16Å; F496-M542 HydrophobicContact CZ-CE 4.04Å; G538-M542 WeakPolarHBondContact O-CB 3.29Å; G538-M542 WeakPolarHBondContact O-CG 3.2Å; G538-M542 PolarHBondContact O-N 2.75Å; F539-M542 PolarHBondContact O-N 2.91Å; I540-M542 VanDerWaalsContact C-N 3.35Å; I540-M542 PolarHBondContact O-N 3.36Å; M542-V544 VanDerWaalsContact C-N 3.28Å; M542-V544 PolarHBondContact O-N 2.98Å; M542-F545 PolarHBondContact O-N 3.22Å; M542-L546 WeakPolarHBondContact O-CB 3.11Å; M542-L546 VanDerWaalsContact O-CG 3.25Å; M542-L546 WeakPolarHBondContact O-CG 3.32Å; M542-L546 PolarHBondContact O-N 3.14Å
543	M	88.7	Confident	79.3	Confident	50 Å²	50	57.7 Å²	57.7	25%	0.246	29%	0.294	C	S	.	.	H	α-helix	trans	-58.1	-41.8	174.3	-163.8	-178.8	107.3	0	0	111.8	L329 V332 L336 W353 F539 I540 I541 L546 R547	L329-M543 HydrophobicContact CD1-SD 4.4Å; V332-M543 HydrophobicContact CG1-CE 3.92Å; V332-M543 HydrophobicContact CG1-SD 3.89Å; L336-M543 HydrophobicContact CD1-CE 3.75Å; L336-M543 HydrophobicContact CD1-CG 3.56Å; L336-M543 HydrophobicContact CD1-SD 3.43Å; L336-M543 WeakPolarHBondContact CD1-SD 3.43Å; W353-M543 HydrophobicContact CH2-CB 4.09Å; W353-M543 HydrophobicContact CH2-CG 3.72Å; W353-M543 HydrophobicContact CH2-SD 4.27Å; W353-M543 HydrophobicContact CZ2-CB 3.55Å; W353-M543 HydrophobicContact CZ2-CG 3.71Å; W353-M543 HydrophobicContact CZ2-SD 4.35Å; F539-M543 WeakPolarHBondContact O-CB 3.41Å; F539-M543 PolarHBondContact O-N 3.1Å; I540-M543 VanDerWaalsContact O-CB 3.25Å; I540-M543 WeakPolarHBondContact O-CB 3.41Å; I540-M543 PolarHBondContact O-N 2.95Å; I540-M543 VanDerWaalsContact O-N 3.16Å; I541-M543 VanDerWaalsContact C-N 3.32Å; I541-M543 PolarHBondContact O-N 2.89Å; M543-L546 PolarHBondContact O-N 3.4Å; M543-R547 PolarHBondContact O-N 3.12Å
544	V	86.6	Confident	77.1	Confident	80 Å²	80	56.3 Å²	56.3	49%	0.485	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-42.5	177.3	174	0	0	0	0	111.1	I540 I541 M542 R547	I540-V544 WeakPolarHBondContact O-CG2 3.49Å; I540-V544 PolarHBondContact O-N 2.98Å; I541-V544 WeakPolarHBondContact O-CB 3.23Å; I541-V544 PolarHBondContact O-N 3.01Å; M542-V544 VanDerWaalsContact C-N 3.28Å; M542-V544 PolarHBondContact O-N 2.98Å; V544-R547 PolarHBondContact O-N 3.07Å
545	F	84.3	Confident	74.7	Confident	35 Å²	35	55.3 Å²	55.3	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-33.3	178	-75.7	-52	0	0	0	113.5	F492 F496 I499 I541 M542 R547	F492-F545 HydrophobicContact CD2-CE1 4.45Å; F492-F545 AromaticContact CE2-CD1 3.65Å; F492-F545 HydrophobicContact CE2-CD1 3.65Å; F492-F545 AromaticContact CE2-CE1 3.91Å; F492-F545 HydrophobicContact CE2-CE1 3.91Å; F492-F545 HydrophobicContact CZ-CD1 4.32Å; F496-F545 AromaticContact CD2-CD2 3.99Å; F496-F545 HydrophobicContact CD2-CD2 3.99Å; F496-F545 AromaticContact CD2-CE2 3.78Å; F496-F545 HydrophobicContact CD2-CE2 3.78Å; F496-F545 HydrophobicContact CD2-CZ 4.28Å; F496-F545 HydrophobicContact CE2-CD2 4.36Å; F496-F545 HydrophobicContact CE2-CE2 4.47Å; I499-F545 HydrophobicContact CD1-CE2 4.35Å; I499-F545 HydrophobicContact CD1-CZ 3.98Å; I541-F545 HydrophobicContact CG2-CD2 3.67Å; I541-F545 HydrophobicContact CG2-CE2 3.37Å; I541-F545 HydrophobicContact CG2-CZ 4.42Å; I541-F545 VanDerWaalsContact O-CD2 3.28Å; I541-F545 WeakPolarHBondContact O-CD2 3.28Å; I541-F545 PolarHBondContact O-N 3.29Å; M542-F545 PolarHBondContact O-N 3.22Å; F545-R547 VanDerWaalsContact C-N 3.29Å; F545-R547 PolarHBondContact O-N 3.14Å
546	L	79.7	Confident	72.1	Confident	29 Å²	29	58.7 Å²	58.7	15%	0.152	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.9	179.6	-67.3	170	0	0	0	113.5	T349 V350 W353 M542 M543	T349-L546 HydrophobicContact CG2-CD2 3.94Å; V350-L546 HydrophobicContact CG2-CB 4.5Å; V350-L546 HydrophobicContact CG2-CD1 4.46Å; V350-L546 HydrophobicContact CG2-CD2 4.23Å; W353-L546 HydrophobicContact CB-CD1 3.75Å; W353-L546 HydrophobicContact CD2-CD1 3.92Å; W353-L546 HydrophobicContact CE3-CD1 4.22Å; W353-L546 HydrophobicContact CG-CD1 3.73Å; M542-L546 WeakPolarHBondContact O-CB 3.11Å; M542-L546 VanDerWaalsContact O-CG 3.25Å; M542-L546 WeakPolarHBondContact O-CG 3.32Å; M542-L546 PolarHBondContact O-N 3.14Å; M543-L546 PolarHBondContact O-N 3.4Å
547	R	73.2	Confident	69.6	Low	117 Å²	117	60.3 Å²	60.3	44%	0.442	31%	0.313	S	S	.	.			trans	-78.1	123.4	-178.4	-171.6	174.9	177.8	174.7	-2	111.4	M543 V544 F545 D549 T551	M543-R547 PolarHBondContact O-N 3.12Å; V544-R547 PolarHBondContact O-N 3.07Å; F545-R547 VanDerWaalsContact C-N 3.29Å; F545-R547 PolarHBondContact O-N 3.14Å; R547-D549 HydrophobicContact CG-CB 4.47Å; R547-D549 IonicContact CZ-OD2 3.45Å; R547-D549 IonicContact NE-OD2 3.03Å; R547-D549 PolarHBondContact NE-OD2 2.98Å; R547-D549 IonicContact NH2-OD2 2.96Å; R547-D549 PolarHBondContact NH2-OD2 2.66Å; R547-D549 PolarHBondContact O-N 3.24Å; R547-T551 PolarHBondContact O-OG1 3.19Å
548	P	61.7	Low	67	Low	29 Å²	29	66.7 Å²	66.7	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-67.4	-37.3	-178.2	25	-33.1	0	0	0	113.2	K550 T551 N552 Y557	P548-K550 VanDerWaalsContact C-N 3.33Å; P548-K550 PolarHBondContact O-N 3.15Å; P548-T551 WeakPolarHBondContact CA-OG1 3.42Å; P548-T551 PolarHBondContact O-N 3.36Å; P548-T551 VanDerWaalsContact O-N 3.14Å; P548-T551 PolarHBondContact O-OG1 3.16Å; P548-N552 PolarHBondContact O-N 3.38Å; P548-N552 VanDerWaalsContact O-N 3.11Å; P548-Y557 HydrophobicContact CB-CE2 4.28Å
549	D	57.2	Low	64.3	Low	92 Å²	92	72 Å²	72	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-32.4	-171.4	-49.7	-27.8	0	0	0	114.5	R547	R547-D549 HydrophobicContact CG-CB 4.47Å; R547-D549 IonicContact CZ-OD2 3.45Å; R547-D549 IonicContact NE-OD2 3.03Å; R547-D549 PolarHBondContact NE-OD2 2.98Å; R547-D549 IonicContact NH2-OD2 2.96Å; R547-D549 PolarHBondContact NH2-OD2 2.66Å; R547-D549 PolarHBondContact O-N 3.24Å
550	K	54.1	Low	61.6	Low	145 Å²	145	76.1 Å²	76.1	63%	0.63	39%	0.394	S	S	*	.	H	α-helix	trans	-93.1	-16.1	178.9	-73.2	-167.9	175.2	-174.5	0	112.7	P548	P548-K550 VanDerWaalsContact C-N 3.33Å; P548-K550 PolarHBondContact O-N 3.15Å
551	T	51.2	Low	58.9	Low	10 Å²	10	77.4 Å²	77.4	6%	0.061	41%	0.409	C	S	.	.	H	α-helix	trans	-100.4	-2.8	-176.6	53.2	0	0	0	0	112.7	R547 P548 I553 I554 F555	R547-T551 PolarHBondContact O-OG1 3.19Å; P548-T551 WeakPolarHBondContact CA-OG1 3.42Å; P548-T551 PolarHBondContact O-N 3.36Å; P548-T551 VanDerWaalsContact O-N 3.14Å; P548-T551 PolarHBondContact O-OG1 3.16Å; T551-I553 PolarHBondContact O-N 3.45Å; T551-I554 CarbonylContact O-C 3.3Å; T551-I554 VanDerWaalsContact O-C 3.3Å; T551-I554 VanDerWaalsContact O-CA 3.28Å; T551-I554 WeakPolarHBondContact O-CA 3.44Å; T551-I554 PolarHBondContact O-N 3.05Å; T551-F555 HydrophobicContact CG2-CD2 4.19Å; T551-F555 HydrophobicContact CG2-CE2 4.39Å; T551-F555 WeakPolarHBondContact O-CA 3.25Å; T551-F555 WeakPolarHBondContact O-CB 3.34Å; T551-F555 PolarHBondContact O-N 3.15Å
552	N	46.8	Very low	56.1	Low	105 Å²	105	82.7 Å²	82.7	56%	0.561	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.1	176.2	-106	-13.6	0	0	0	115	P548	P548-N552 PolarHBondContact O-N 3.38Å; P548-N552 VanDerWaalsContact O-N 3.11Å
553	I	47.5	Very low	53.5	Low	168 Å²	168	86.1 Å²	86.1	86%	0.862	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.6	171.1	-30	176.3	0	0	0	111.8	T551	T551-I553 PolarHBondContact O-N 3.45Å
554	I	46.2	Very low	50.9	Low	72 Å²	72	89.4 Å²	89.4	37%	0.369	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-18.5	-170.7	-60.2	170.1	0	0	0	111.2	K489 F492 T551	K489-I554 WeakPolarHBondContact CD-O 3.49Å; K489-I554 WeakPolarHBondContact CE-O 3.26Å; K489-I554 PolarHBondContact NZ-O 3.09Å; F492-I554 HydrophobicContact CB-CG2 4.44Å; F492-I554 HydrophobicContact CD2-CG2 4.12Å; F492-I554 HydrophobicContact CG-CG2 4.41Å; T551-I554 CarbonylContact O-C 3.3Å; T551-I554 VanDerWaalsContact O-C 3.3Å; T551-I554 VanDerWaalsContact O-CA 3.28Å; T551-I554 WeakPolarHBondContact O-CA 3.44Å; T551-I554 PolarHBondContact O-N 3.05Å
555	F	44.7	Very low	48.2	Very low	13 Å²	13	93.1 Å²	93.1	6%	0.057	50%	0.499	C	S	.	.	S	Bend	trans	-136.5	110.8	-176.2	-88.9	-108.9	0	0	0	108.6	T411 I412 T551 Y557	T411-F555 WeakPolarHBondContact O-CD1 3.5Å; T411-F555 WeakPolarHBondContact O-CE1 3.04Å; I412-F555 HydrophobicContact CB-CE1 3.82Å; I412-F555 HydrophobicContact CB-CE2 4.31Å; I412-F555 HydrophobicContact CB-CZ 3.68Å; I412-F555 HydrophobicContact CD1-CE2 4.19Å; I412-F555 HydrophobicContact CD1-CZ 3.65Å; I412-F555 HydrophobicContact CG1-CE1 3.72Å; I412-F555 HydrophobicContact CG1-CE2 4.18Å; I412-F555 HydrophobicContact CG1-CZ 3.31Å; I412-F555 HydrophobicContact CG2-CD2 4.3Å; I412-F555 HydrophobicContact CG2-CE1 4.07Å; I412-F555 HydrophobicContact CG2-CE2 3.75Å; I412-F555 HydrophobicContact CG2-CZ 3.65Å; T551-F555 HydrophobicContact CG2-CD2 4.19Å; T551-F555 HydrophobicContact CG2-CE2 4.39Å; T551-F555 WeakPolarHBondContact O-CA 3.25Å; T551-F555 WeakPolarHBondContact O-CB 3.34Å; T551-F555 PolarHBondContact O-N 3.15Å; F555-Y557 PolarHBondContact O-N 2.55Å; F555-Y557 VanDerWaalsContact O-N 3.16Å
556	P	38.2	Very low	45.8	Very low	76 Å²	76	96.9 Å²	96.9	49%	0.494	53%	0.527	S	S	.	.			trans	-79.2	99.7	169.6	29.8	-27.3	0	0	0	108.8	H558	P556-H558 VanDerWaalsContact CB-CD2 3.5Å; P556-H558 WeakPolarHBondContact CB-CD2 3.1Å; P556-H558 WeakPolarHBondContact CB-NE2 3.37Å; P556-H558 PolarHBondContact O-N 3.32Å; P556-H558 VanDerWaalsContact O-N 3.08Å
557	Y	42.4	Very low	43.6	Very low	72 Å²	72	100.4 Å²	100.4	28%	0.282	55%	0.554	S	S	.	*			trans	-75.5	79.2	151.9	-67.1	-72.2	0	0	0	106.9	H347 P548 F555 T559	H347-Y557 AromaticContact CE1-CE1 3.98Å; H347-Y557 AromaticContact NE2-CE1 3.3Å; H347-Y557 VanDerWaalsContact NE2-CE1 3.3Å; H347-Y557 WeakPolarHBondContact NE2-CE1 3.45Å; H347-Y557 AromaticContact NE2-CZ 3.79Å; H347-Y557 PolarHBondContact NE2-OH 2.86Å; P548-Y557 HydrophobicContact CB-CE2 4.28Å; F555-Y557 PolarHBondContact O-N 2.55Å; F555-Y557 VanDerWaalsContact O-N 3.16Å; Y557-T559 PolarHBondContact O-N 3.24Å
558	H	40.9	Very low	41.7	Very low	158 Å²	158	102.6 Å²	102.6	73%	0.731	57%	0.573	S	S	*	*			trans	-71.1	71.2	167	-68.2	-54.9	0	0	0	108.8	P556	P556-H558 VanDerWaalsContact CB-CD2 3.5Å; P556-H558 WeakPolarHBondContact CB-CD2 3.1Å; P556-H558 WeakPolarHBondContact CB-NE2 3.37Å; P556-H558 PolarHBondContact O-N 3.32Å; P556-H558 VanDerWaalsContact O-N 3.08Å
559	T	36.8	Very low	40.5	Very low	126 Å²	126	110.9 Å²	110.9	77%	0.773	61%	0.606	S	S	*	*			trans	-113.6	49.2	156.3	61.8	0	0	0	0	107.9	Y557	Y557-T559 PolarHBondContact O-N 3.24Å
560	S	39.8	Very low	39.4	Very low	86 Å²	86	114.5 Å²	114.5	60%	0.601	62%	0.62	S	S	*	*			trans	-106.5	111.7	162.7	44.2	0	0	0	0	106.5
561	S	37.1	Very low	38.7	Very low	92 Å²	92	113.9 Å²	113.9	64%	0.643	62%	0.623	S	S	*	*			trans	67	87.2	163.6	64.3	0	0	0	0	118.7	S563	S561-S563 PolarHBondContact O-N 3.4Å; S561-S563 VanDerWaalsContact O-N 3.16Å
562	I	33	Very low	38.1	Very low	176 Å²	176	120 Å²	120	90%	0.903	66%	0.656	S	S	*	*				-69.7	84.1	118.2	-64.4	174.2	0	0	0	104.3	T564	I562-T564 PolarHBondContact O-N 3.37Å
563	S	32.6	Very low	37.6	Very low	78 Å²	78	121.3 Å²	121.3	55%	0.545	66%	0.663	S	S	.	*			trans	-65.3	126.2	167.2	40.2	0	0	0	0	107.1	S561	S561-S563 PolarHBondContact O-N 3.4Å; S561-S563 VanDerWaalsContact O-N 3.16Å
564	T	34.8	Very low	37.2	Very low	119 Å²	119	120 Å²	120	73%	0.73	66%	0.658	S	S	*	*			trans	58.9	95.7	151.9	49.5	0	0	0	0	116.8	I562 P566	I562-T564 PolarHBondContact O-N 3.37Å; T564-P566 VanDerWaalsContact O-CD 3.28Å; T564-P566 WeakPolarHBondContact O-CD 3.03Å
565	I	30.6	Very low	36.7	Very low	157 Å²	157	124.1 Å²	124.1	81%	0.805	68%	0.68	S	S	*	*			trans	-53.2	115.7	143.1	-61.3	165.5	0	0	0	106.5	S567	I565-S567 PolarHBondContact O-N 2.95Å; I565-S567 VanDerWaalsContact O-N 3.13Å
566	P	33.6	Very low	36.1	Very low	114 Å²	114	133 Å²	133	74%	0.74	71%	0.713	S	S	*	*			trans	-74.1	108.5	170.7	-4.6	22.3	0	0	0	106.7	T564 I568	T564-P566 VanDerWaalsContact O-CD 3.28Å; T564-P566 WeakPolarHBondContact O-CD 3.03Å; P566-I568 PolarHBondContact O-N 2.92Å; P566-I568 VanDerWaalsContact O-N 3.13Å
567	S	34.1	Very low	35.9	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	73%	0.73	S	S	*	*			trans	-55.7	115.4	162	50.1	0	0	0	0	108.3	I565 K569	I565-S567 PolarHBondContact O-N 2.95Å; I565-S567 VanDerWaalsContact O-N 3.13Å; S567-K569 PolarHBondContact O-N 3.24Å
568	I	33	Very low	35.5	Very low	163 Å²	163	141.2 Å²	141.2	84%	0.836	75%	0.754	S	S	*	*			trans	-43.3	115	171.3	-64.6	161.8	0	0	0	109.5	P566	P566-I568 PolarHBondContact O-N 2.92Å; P566-I568 VanDerWaalsContact O-N 3.13Å
569	K	36.1	Very low	35.1	Very low	202 Å²	202	141.5 Å²	141.5	88%	0.878	75%	0.753	S	S	*	*			trans	-127.7	112.6	152.3	-79.6	-167.7	177.1	-176.8	0	108.2	S567	S567-K569 PolarHBondContact O-N 3.24Å
570	Q	35.1	Very low	34.7	Very low	168 Å²	168	143.8 Å²	143.8	79%	0.785	76%	0.76	S	S	*	*			trans	-49.9	118.4	165.4	-177	169.4	-7.8	0	0	110.1
571	D	38.1	Very low	34.5	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	76%	0.762	S	S	*	*				172.7	129.5	126.7	-86.1	-18.6	0	0	0	111.4
572	D	38.5	Very low	34.2	Very low	139 Å²	139	146 Å²	146	74%	0.743	77%	0.766	S	S	*	*			trans	63.9	121.3	145.2	-62.1	-14.6	0	0	0	123.5
573	N	37.2	Very low	34.3	Very low	133 Å²	133	146 Å²	146	71%	0.711	76%	0.762	S	S	*	*			trans	79.6	107.2	146.8	-72.1	-13.4	0	0	0	120.3
574	D	38.7	Very low	34.3	Very low	141 Å²	141	148.1 Å²	148.1	75%	0.754	77%	0.772	S	S	*	*				76.5	111.2	128.5	-59.4	-20.2	0	0	0	119.5
575	N	34.9	Very low	34.3	Very low	157 Å²	157	148.8 Å²	148.8	84%	0.84	78%	0.775	S	S	*	*			trans	83	86.7	136.1	-151.8	15.4	0	0	0	116.8
576	W	32.3	Very low	34.2	Very low	199 Å²	199	146.8 Å²	146.8	75%	0.754	78%	0.776	S	S	*	*				-170	114.3	119	65.3	-66	0	0	0	111.2	K579	W576-K579 HydrophobicContact CZ3-CB 4.02Å
577	K	33.8	Very low	34.3	Very low	192 Å²	192	145.9 Å²	145.9	84%	0.835	77%	0.772	S	S	*	*			trans	-73	151.9	154.6	-79.6	178.6	175.5	175.6	0	108.4
578	T	35.4	Very low	34.2	Very low	129 Å²	129	147.6 Å²	147.6	79%	0.791	78%	0.778	S	S	*	*			trans	68	100.7	158.6	44.6	0	0	0	0	118.7
579	K	32.6	Very low	34.2	Very low	165 Å²	165	144.5 Å²	144.5	72%	0.717	77%	0.771	S	S	*	*			trans	-158.1	97.7	130	-128.3	171.4	-177.3	177.3	0	112.1	W576 V581	W576-K579 HydrophobicContact CZ3-CB 4.02Å; K579-V581 HydrophobicContact CB-CG2 4.22Å; K579-V581 HydrophobicContact CD-CG2 4.18Å; K579-V581 HydrophobicContact CG-CG2 4.03Å; K579-V581 PolarHBondContact O-N 3.14Å
580	L	28.2	Very low	34.1	Very low	173 Å²	173	141 Å²	141	91%	0.906	77%	0.767	S	S	*	*			trans	-61.6	120.9	147.3	-114.8	84.7	0	0	0	106.3
581	V	35	Very low	33.9	Very low	107 Å²	107	137.4 Å²	137.4	65%	0.648	77%	0.766	S	S	*	*			trans	-110.8	107.2	171.3	176.8	0	0	0	0	108.5	K579 E583	K579-V581 HydrophobicContact CB-CG2 4.22Å; K579-V581 HydrophobicContact CD-CG2 4.18Å; K579-V581 HydrophobicContact CG-CG2 4.03Å; K579-V581 PolarHBondContact O-N 3.14Å; V581-E583 HydrophobicContact CG1-CG 4.46Å
582	T	31.2	Very low	33.8	Very low	119 Å²	119	140.7 Å²	140.7	73%	0.73	77%	0.774	S	S	*	*			trans	-73.9	122.4	159.1	-47	0	0	0	0	107.8
583	E	34.7	Very low	33.3	Very low	174 Å²	174	140.8 Å²	140.8	81%	0.813	78%	0.78	S	S	*	*			trans	-93.9	108.2	168.6	-87.6	-174.6	154.2	0	0	110.4	V581	V581-E583 HydrophobicContact CG1-CG 4.46Å
584	T	32.3	Very low	33.2	Very low	124 Å²	124	140.7 Å²	140.7	76%	0.761	78%	0.784	S	S	*	*			trans	-101.1	114.5	158.4	-52.9	0	0	0	0	107
585	V	34.3	Very low	32.9	Very low	132 Å²	132	139.6 Å²	139.6	80%	0.8	78%	0.783	S	S	*	*			trans	-85.5	111	174.6	178.3	0	0	0	0	109
586	S	29.8	Very low	32.5	Very low	116 Å²	116	138 Å²	138	81%	0.811	78%	0.778	S	S	*	*			trans	-138.4	117	155.8	-145.8	0	0	0	0	107.6
587	S	34.8	Very low	32.6	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	78%	0.781	S	S	*	*			trans	-75	129.6	-175.4	44.4	0	0	0	0	112.3
588	T	33.1	Very low	32.4	Very low	139 Å²	139	133.6 Å²	133.6	85%	0.853	78%	0.779	S	S	*	*			trans	35.1	137.1	132.7	8.2	0	0	0	0	118.6
589	S	33.4	Very low	32.2	Very low	98 Å²	98	132.9 Å²	132.9	69%	0.685	78%	0.777	S	S	*	*			cis	-158.8	152.4	1.4	61.4	0	0	0	0	104.3
590	T	33.2	Very low	32.2	Very low	130 Å²	130	133.6 Å²	133.6	80%	0.798	78%	0.783	S	S	*	*				172.9	128.7	80	-47.8	0	0	0	0	105.3
591	A	30.9	Very low	32.2	Very low	92 Å²	92	132.8 Å²	132.8	76%	0.76	78%	0.778	S	S	*	*			trans	-82.3	140.4	-179.2	0	0	0	0	0	112
592	K	34.8	Very low	32	Very low	201 Å²	201	132.2 Å²	132.2	87%	0.874	78%	0.779	S	S	*	*			trans	-178	112.4	133.5	-100.7	170.1	-174.4	-176.4	0	109.5
593	T	29.2	Very low	32.1	Very low	141 Å²	141	133.2 Å²	133.2	87%	0.865	78%	0.779	S	S	*	*			trans	-114.2	116.3	163.9	-42.2	0	0	0	0	106.6
594	T	34.2	Very low	32	Very low	131 Å²	131	132.4 Å²	132.4	80%	0.804	78%	0.778	S	S	*	*			trans	-137.9	136.9	162.7	-38	0	0	0	0	107.6
595	T	32.1	Very low	32.2	Very low	118 Å²	118	131.9 Å²	131.9	72%	0.724	78%	0.777	S	S	*	*			trans	-77.9	152.2	-163.8	32.8	0	0	0	0	113.8
596	T	27.7	Very low	32.1	Very low	122 Å²	122	134.1 Å²	134.1	75%	0.748	78%	0.781	S	S	*	*			trans	85.2	120.7	146	9.1	0	0	0	0	121.4
597	K	33.3	Very low	32.2	Very low	185 Å²	185	136.9 Å²	136.9	80%	0.804	78%	0.778	S	S	*	*			trans	108	105	142.8	-69.8	-172.6	179.6	-178.7	0	119.3
598	S	29.8	Very low	32.2	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	78%	0.783	S	S	*	*			trans	76.3	148.1	136	43.3	0	0	0	0	121.6
599	P	32.3	Very low	32.2	Very low	115 Å²	115	139.7 Å²	139.7	75%	0.747	77%	0.772	S	S	*	*			trans	-113.6	165.4	-149	39.6	-26.4	0	0	0	114
600	Q	32.5	Very low	32.1	Very low	180 Å²	180	142 Å²	142	84%	0.841	78%	0.775	S	S	*	*			trans	159.7	112.8	139.2	-88	-174	19.3	0	0	108.6
601	L	27.8	Very low	32.2	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	78%	0.775	S	S	*	*				91.8	119.1	81.7	-153.1	91.2	0	0	0	112.2
602	S	29.9	Very low	32.3	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	77%	0.771	S	S	*	*			trans	104.1	132	136.3	80.3	0	0	0	0	121.3
603	I	34.5	Very low	32.3	Very low	140 Å²	140	142.8 Å²	142.8	72%	0.718	76%	0.76	S	S	*	*			trans	98	89.6	142.1	-40.3	-163.8	0	0	0	120.4
604	I	32.6	Very low	32.5	Very low	157 Å²	157	141.7 Å²	141.7	81%	0.805	75%	0.749	S	S	*	*				62.2	143.7	113.7	-60.7	168.5	0	0	0	121.5
605	P	36.4	Very low	32.4	Very low	113 Å²	113	141.2 Å²	141.2	73%	0.734	74%	0.741	S	S	*	*			trans	-110.5	171.5	-165.4	39.3	-23.9	0	0	0	115.3
606	M	32.8	Very low	32.6	Very low	179 Å²	179	142.1 Å²	142.1	88%	0.882	75%	0.747	S	S	*	*			trans	-166.8	114.8	160.7	-120.1	-177.6	165.3	0	0	116.2
607	K	31.1	Very low	32.7	Very low	173 Å²	173	145.3 Å²	145.3	75%	0.752	75%	0.75	S	S	*	*				39.4	130.4	116.8	-150	179.9	-170.3	179.4	0	121.9
608	K	35.4	Very low	32.8	Very low	178 Å²	178	142.4 Å²	142.4	77%	0.774	75%	0.754	S	S	*	*				161.3	122.4	121.6	-97.9	-176.3	171.6	177.9	0	112.5
609	N	32	Very low	32.7	Very low	116 Å²	116	143.6 Å²	143.6	62%	0.62	76%	0.755	S	S	*	*				78.2	112.6	96.8	-72	9.3	0	0	0	113.7
610	I	31.1	Very low	32.8	Very low	147 Å²	147	143.4 Å²	143.4	75%	0.754	76%	0.757	S	S	*	*				65.1	123.3	85.7	-59.8	168.6	0	0	0	113.2
611	E	35.6	Very low	32.9	Very low	169 Å²	169	144.6 Å²	144.6	79%	0.79	76%	0.759	S	S	*	*			trans	150.1	146.4	146.7	-89.3	173.8	-168.3	0	0	109.1
612	Q	33	Very low	32.9	Very low	144 Å²	144	147 Å²	147	67%	0.673	76%	0.763	S	S	*	*			cis	176.6	167.4	-14.5	-137.8	-175.2	-32.3	0	0	105.9
613	I	34.8	Very low	33.2	Very low	126 Å²	126	149.1 Å²	149.1	65%	0.646	77%	0.772	S	S	*	*			trans	77.4	136.7	144.4	-71.3	164.4	0	0	0	117
614	D	34	Very low	33.3	Very low	118 Å²	118	149.9 Å²	149.9	63%	0.631	78%	0.776	S	S	*	*			cis	-169.7	154.3	7.3	-117.4	-8.9	0	0	0	112.9
615	N	32.7	Very low	33.8	Very low	121 Å²	121	147.4 Å²	147.4	65%	0.647	77%	0.771	S	S	*	*			trans	51.6	136.1	135.9	-57.7	-30.4	0	0	0	122.1
616	T	34.6	Very low	34.1	Very low	136 Å²	136	147.5 Å²	147.5	83%	0.834	77%	0.771	S	S	*	*				-166.9	154.2	70.4	-48.2	0	0	0	0	114
617	K	31.3	Very low	34.4	Very low	189 Å²	189	144.8 Å²	144.8	82%	0.822	77%	0.767	S	S	*	*			trans	-67.8	156.5	-166	-61.6	156.6	175.3	172.3	0	118.8
618	S	33.8	Very low	34.6	Very low	125 Å²	125	147.5 Å²	147.5	87%	0.874	77%	0.772	S	S	*	*				-154.5	139.6	123.9	65.9	0	0	0	0	111.9
619	V	29.4	Very low	34.7	Very low	138 Å²	138	144.5 Å²	144.5	84%	0.836	77%	0.771	S	S	*	*			trans	-127.6	131.6	-172.8	165.8	0	0	0	0	108.2
620	S	34.1	Very low	34.9	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	78%	0.78	S	S	*	*			trans	-156.9	116.9	149	73.9	0	0	0	0	114.4
621	K	34.6	Very low	35.1	Very low	205 Å²	205	144.3 Å²	144.3	89%	0.891	78%	0.778	S	S	*	*			trans	55.1	118.8	142.5	-75.6	179	176.3	175.6	0	122.3
622	K	27.7	Very low	35	Very low	207 Å²	207	141.3 Å²	141.3	90%	0.9	77%	0.773	S	S	*	*			trans	-39.5	131.7	157.7	-69.3	172.3	172.2	177.3	0	114.5
623	V	35.2	Very low	34.8	Very low	139 Å²	139	145.2 Å²	145.2	84%	0.842	78%	0.781	S	S	*	*			trans	-140.9	121.9	141.9	179.6	0	0	0	0	107.9
624	L	36.9	Very low	34.4	Very low	157 Å²	157	145.7 Å²	145.7	82%	0.822	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.4	129.4	176.9	-157.8	82.4	0	0	0	108.5
625	P	42.5	Very low	34.2	Very low	105 Å²	105	147.8 Å²	147.8	68%	0.682	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-70.4	144.1	169.9	26.5	-26.3	0	0	0	109.4
626	P	42.8	Very low	33.9	Very low	115 Å²	115	148 Å²	148	75%	0.747	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.6	155.1	-171.4	27.2	-34.2	0	0	0	111.6	R628	P626-R628 PolarHBondContact O-N 2.89Å
627	P	40.7	Very low	33.7	Very low	121 Å²	121	147.5 Å²	147.5	79%	0.786	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-60.2	127.5	173.1	-8.1	22.4	0	0	0	108.2
628	R	34.7	Very low	33.6	Very low	230 Å²	230	144.7 Å²	144.7	87%	0.868	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-56.5	128.8	173.5	-158.1	178.9	-75.8	-167.7	-2.9	107.5	P626 N630	P626-R628 PolarHBondContact O-N 2.89Å; R628-N630 PolarHBondContact O-N 3.26Å
629	P	37.3	Very low	33.4	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61	132.8	-177.6	9.1	-7.1	0	0	0	108.5
630	N	36.1	Very low	33.3	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-50.3	132.2	170.2	-69.2	-36.6	0	0	0	108.2	R628	R628-N630 PolarHBondContact O-N 3.26Å
631	P	36	Very low	33.1	Very low	108 Å²	108	143.6 Å²	143.6	70%	0.701	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-55	145.6	168.4	25.1	-32.1	0	0	0	108.3	R633	P631-R633 PolarHBondContact O-N 3.21Å
632	P	33.3	Very low	33.2	Very low	106 Å²	106	135.9 Å²	135.9	69%	0.688	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-54.1	130.6	-179.1	24.2	-32.2	0	0	0	108.2	L634	P632-L634 HydrophobicContact CB-CD1 4.34Å; P632-L634 HydrophobicContact CG-CD1 4.22Å; P632-L634 PolarHBondContact O-N 2.02Å
633	R	27.4	Very low	33.5	Very low	226 Å²	226	131.8 Å²	131.8	85%	0.853	73%	0.726	S	S	*	*			trans	-60.4	86.2	167.7	-73.2	-178.5	176.7	168.1	-2.4	107.3	P631 F635	P631-R633 PolarHBondContact O-N 3.21Å; R633-F635 PolarHBondContact O-N 2.84Å
634	L	27.3	Very low	33.6	Very low	135 Å²	135	131.8 Å²	131.8	71%	0.707	72%	0.72	S	S	*	*			trans	-79.5	101.4	168.5	-119.4	91	0	0	0	107.1	P632	P632-L634 HydrophobicContact CB-CD1 4.34Å; P632-L634 HydrophobicContact CG-CD1 4.22Å; P632-L634 PolarHBondContact O-N 2.02Å
635	F	30.2	Very low	33.6	Very low	162 Å²	162	129.2 Å²	129.2	71%	0.711	71%	0.713	S	S	*	*			trans	67.2	91.6	169.8	-54.8	-75.5	0	0	0	116.5	R633 L637	R633-F635 PolarHBondContact O-N 2.84Å; F635-L637 HydrophobicContact CB-CD1 4.14Å; F635-L637 HydrophobicContact CB-CG 4.29Å; F635-L637 PolarHBondContact O-N 3.34Å
636	N	26.6	Very low	33.5	Very low	126 Å²	126	127.9 Å²	127.9	67%	0.674	71%	0.711	S	S	*	*			trans	-54.6	87.5	141.5	-89.6	-5.2	0	0	0	108.4	T638	N636-T638 VanDerWaalsContact C-N 3.25Å
637	L	30	Very low	33.4	Very low	126 Å²	126	123.9 Å²	123.9	66%	0.66	69%	0.685	S	S	*	*			trans	-98.1	56.8	159.5	-83	159	0	0	0	108.4	F635 G639	F635-L637 HydrophobicContact CB-CD1 4.14Å; F635-L637 HydrophobicContact CB-CG 4.29Å; F635-L637 PolarHBondContact O-N 3.34Å; L637-G639 PolarHBondContact O-N 2.65Å; L637-G639 VanDerWaalsContact O-N 3.09Å
638	T	29.3	Very low	33.1	Very low	129 Å²	129	119.1 Å²	119.1	79%	0.791	66%	0.658	S	S	*	*			trans	-77.7	65.7	153.1	53.7	0	0	0	0	107.6	N636	N636-T638 VanDerWaalsContact C-N 3.25Å
639	G	29.3	Very low	32.9	Very low	41 Å²	41	109.8 Å²	109.8	42%	0.423	63%	0.628	S	S	.	*			trans	-105.1	136.7	169.9	0	0	0	0	0	108.7	L637	L637-G639 PolarHBondContact O-N 2.65Å; L637-G639 VanDerWaalsContact O-N 3.09Å
640	K	28	Very low	32.6	Very low	177 Å²	177	107.8 Å²	107.8	77%	0.77	61%	0.61	S	S	*	*			trans	-58.5	158.9	174.9	-77.8	175.2	176.9	175.4	0	109.9	G642	K640-G642 PolarHBondContact O-N 2.6Å
641	P	28.5	Very low	32.4	Very low	133 Å²	133	104.1 Å²	104.1	86%	0.864	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	98.8	177.8	-14.7	27.5	0	0	0	110.4
642	G	36.8	Very low	32.1	Very low	44 Å²	44	101.5 Å²	101.5	45%	0.454	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	155.1	-13.1	-176.7	0	0	0	0	0	117.7	K640	K640-G642 PolarHBondContact O-N 2.6Å
643	D	33.7	Very low	32.1	Very low	121 Å²	121	97.4 Å²	97.4	65%	0.647	55%	0.546	S	S	*	.			trans	-101.4	16.5	-166.3	-64.3	-28.5	0	0	0	116
644	L	37.9	Very low	32.3	Very low	138 Å²	138	89.9 Å²	89.9	72%	0.723	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-97.8	116.5	179.3	-80.5	149.1	0	0	0	111.4
645	P	37.5	Very low	32.4	Very low	103 Å²	103	90.2 Å²	90.2	67%	0.669	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-66.8	154.4	176.7	25.8	-31.2	0	0	0	112.1	R254	R254-P645 PolarHBondContact NH1-O 3.1Å
646	A	38.9	Very low	32.7	Very low	77 Å²	77	85.4 Å²	85.4	64%	0.636	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-56.6	149.5	176.9	0	0	0	0	0	111.7	G648	A646-G648 PolarHBondContact O-N 2.94Å
647	P	41.5	Very low	33	Very low	32 Å²	32	86.2 Å²	86.2	21%	0.208	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-62.1	131.6	166.6	15.6	-6.7	0	0	0	109	V252 R254	V252-P647 HydrophobicContact CG1-CB 4.5Å; R254-P647 HydrophobicContact CG-CB 3.83Å; R254-P647 HydrophobicContact CG-CG 4.32Å
648	G	35.6	Very low	33	Very low	20 Å²	20	87.2 Å²	87.2	21%	0.206	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-55.8	151.3	-168.1	0	0	0	0	0	114.8	N253 A646	N253-G648 WeakPolarHBondContact ND2-CA 3.47Å; A646-G648 PolarHBondContact O-N 2.94Å
649	S	29.7	Very low	33.1	Very low	35 Å²	35	85.8 Å²	85.8	25%	0.245	53%	0.527	C	S	.	.			trans	-42.6	142.8	175.9	56.6	0	0	0	0	112.9	P673	S649-P673 WeakPolarHBondContact CB-O 3.41Å; S649-P673 VanDerWaalsContact OG-CB 3.26Å; S649-P673 WeakPolarHBondContact OG-CB 3.47Å
650	I	31	Very low	33.2	Very low	73 Å²	73	91.2 Å²	91.2	37%	0.374	54%	0.539	S	S	.	.				-166.3	96.1	104.7	-82.3	140.5	0	0	0	109.2	I251 L675	I251-I650 HydrophobicContact CB-CB 3.89Å; I251-I650 HydrophobicContact CB-CG2 4.35Å; I251-I650 HydrophobicContact CD1-CB 3.71Å; I251-I650 HydrophobicContact CD1-CD1 4.33Å; I251-I650 HydrophobicContact CD1-CG2 3.2Å; I251-I650 HydrophobicContact CG1-CB 4.37Å; I251-I650 HydrophobicContact CG1-CG2 4.28Å; I251-I650 HydrophobicContact CG2-CB 4.04Å; I251-I650 HydrophobicContact CG2-CD1 4.14Å; I650-L675 HydrophobicContact CB-CD1 3.14Å; I650-L675 HydrophobicContact CB-CG 4.15Å; I650-L675 HydrophobicContact CG1-CD1 3.5Å; I650-L675 VanDerWaalsContact CG1-CD1 3.5Å; I650-L675 HydrophobicContact CG1-CG 4.33Å; I650-L675 HydrophobicContact CG2-CD1 3.04Å; I650-L675 HydrophobicContact CG2-CD2 3.81Å; I650-L675 HydrophobicContact CG2-CG 3.53Å
651	I	31.1	Very low	33.5	Very low	74 Å²	74	88.9 Å²	88.9	38%	0.379	54%	0.54	S	S	.	.	S	Bend	trans	-138.7	-1.2	167.9	-52.2	177.8	0	0	0	118.1	L250	L250-I651 HydrophobicContact CD1-CD1 3.52Å; L250-I651 HydrophobicContact CG-CD1 4.37Å
652	T	31.3	Very low	33.7	Very low	54 Å²	54	87.9 Å²	87.9	33%	0.331	53%	0.534	S	S	.	.			trans	-112.6	5.2	-163.2	48	0	0	0	0	121.9	S656	T652-S656 PolarHBondContact O-OG 3.37Å
653	S	33.2	Very low	33.6	Very low	19 Å²	19	95.2 Å²	95.2	13%	0.133	56%	0.558	C	S	.	*	S	Bend	trans	-86.6	-12.1	179.3	60.8	0	0	0	0	116.1	L655 L675 S677	S653-L655 PolarHBondContact O-N 3.22Å; S653-L675 VanDerWaalsContact N-CB 3.32Å; S653-L675 WeakPolarHBondContact OG-CB 2.88Å; S653-L675 WeakPolarHBondContact OG-CD2 3.34Å; S653-S677 PolarHBondContact OG-OG 3.22Å
654	G	30.5	Very low	33.6	Very low	68 Å²	68	96.9 Å²	96.9	70%	0.701	57%	0.567	S	S	*	*	S	Bend	trans	-79.9	-12.3	-173.9	0	0	0	0	0	116.8
655	L	29.7	Very low	33.2	Very low	142 Å²	142	95.9 Å²	95.9	74%	0.743	57%	0.572	S	S	*	*	S	Bend	trans	-124.8	-7.4	-176.4	-88.9	116.3	0	0	0	114.8	S653	S653-L655 PolarHBondContact O-N 3.22Å
656	S	36	Very low	32.8	Very low	62 Å²	62	96.3 Å²	96.3	43%	0.434	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-94	-3.2	179.4	51.4	0	0	0	0	114.1	T652 L658	T652-S656 PolarHBondContact O-OG 3.37Å; S656-L658 VanDerWaalsContact C-N 3.33Å
657	E	33.1	Very low	32.4	Very low	142 Å²	142	102.4 Å²	102.4	66%	0.664	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-85.1	-0.3	169.1	-75.3	-161	143.2	0	0	114.2
658	L	30.6	Very low	31.7	Very low	147 Å²	147	112 Å²	112	77%	0.77	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-93.7	1.8	171.8	-105.5	95.1	0	0	0	114.9	S656	S656-L658 VanDerWaalsContact C-N 3.33Å
659	S	30.2	Very low	31.2	Very low	100 Å²	100	116.8 Å²	116.8	70%	0.699	65%	0.646	S	S	*	*	S	Bend	trans	-136.9	15.4	-174.6	73.2	0	0	0	0	117.6	T661	S659-T661 PolarHBondContact O-N 3.24Å
660	K	32.5	Very low	31.2	Very low	154 Å²	154	123.3 Å²	123.3	67%	0.67	67%	0.673	S	S	*	*			trans	-73	125.9	168.2	-67.1	176.4	-176.3	165.5	0	108
661	T	34.1	Very low	31	Very low	128 Å²	128	126.9 Å²	126.9	79%	0.785	70%	0.698	S	S	*	*				-169.3	168.3	68.2	48.7	0	0	0	0	110.8	S659	S659-T661 PolarHBondContact O-N 3.24Å
662	P	33.3	Very low	31	Very low	113 Å²	113	129.1 Å²	129.1	73%	0.734	72%	0.716	S	S	*	*				-134.2	166.4	-71.8	34.5	-14.1	0	0	0	112.7
663	M	33.9	Very low	31	Very low	198 Å²	198	130.6 Å²	130.6	98%	0.975	73%	0.726	S	S	*	*			trans	-152.4	135.2	153.3	-113.1	176.7	104.8	0	0	112.3
664	N	33.2	Very low	30.8	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	76%	0.755	S	S	*	*			trans	-76.4	149.5	-167.7	-74.4	-36.2	0	0	0	115.2
665	S	30.2	Very low	31	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	73%	0.73	S	S	*	*				149.4	154.3	121.5	65.8	0	0	0	0	113.9
666	P	30.1	Very low	30.9	Very low	112 Å²	112	135.8 Å²	135.8	73%	0.727	74%	0.737	S	S	*	*			trans	-115.3	166.6	-137.4	40.4	-32.4	0	0	0	117.4
667	K	29.5	Very low	30.7	Very low	205 Å²	205	136.8 Å²	136.8	89%	0.891	74%	0.744	S	S	*	*			trans	121.6	108.3	148.1	-69	174.7	-180	177.8	0	116.4
668	R	27.8	Very low	30.6	Very low	233 Å²	233	133.5 Å²	133.5	88%	0.879	75%	0.748	S	S	*	*				170.8	137.8	121.2	-162.4	169.3	-146.3	176.4	6.4	110.3
669	P	25.2	Very low	30.7	Very low	121 Å²	121	132.6 Å²	132.6	79%	0.786	75%	0.748	S	S	*	*			trans	-85.6	120.8	-172.4	32.6	-31	0	0	0	111.3
670	Q	29.2	Very low	30.9	Very low	172 Å²	172	134.9 Å²	134.9	80%	0.804	75%	0.753	S	S	*	*			trans	-142.5	124.9	164.2	-75.8	-170.3	-19.1	0	0	109.9	T672	Q670-T672 PolarHBondContact O-N 3.31Å
671	T	26.7	Very low	30.8	Very low	148 Å²	148	133.2 Å²	133.2	91%	0.908	76%	0.76	S	S	*	*			trans	-70.4	98.1	-177.2	47	0	0	0	0	111.2
672	T	31.5	Very low	30.9	Very low	121 Å²	121	132.6 Å²	132.6	74%	0.742	76%	0.758	S	S	*	*			trans	-125	132.6	166.6	31.1	0	0	0	0	108.7	Q670	Q670-T672 PolarHBondContact O-N 3.31Å
673	P	30	Very low	30.6	Very low	84 Å²	84	138.4 Å²	138.4	55%	0.545	77%	0.766	S	S	.	*			trans	-86.7	133.8	-164	37.3	-36.1	0	0	0	111.7	S649	S649-P673 WeakPolarHBondContact CB-O 3.41Å; S649-P673 VanDerWaalsContact OG-CB 3.26Å; S649-P673 WeakPolarHBondContact OG-CB 3.47Å
674	N	29.9	Very low	30.4	Very low	139 Å²	139	136.3 Å²	136.3	74%	0.743	76%	0.758	S	S	*	*			trans	-119.2	147.5	-169.3	-119	-10.1	0	0	0	110.3
675	L	34	Very low	30.4	Very low	35 Å²	35	137.6 Å²	137.6	18%	0.183	76%	0.759	C	S	.	*			trans	-76.5	139.3	174	-125	73.9	0	0	0	114.4	I650 S653	I650-L675 HydrophobicContact CB-CD1 3.14Å; I650-L675 HydrophobicContact CB-CG 4.15Å; I650-L675 HydrophobicContact CG1-CD1 3.5Å; I650-L675 VanDerWaalsContact CG1-CD1 3.5Å; I650-L675 HydrophobicContact CG1-CG 4.33Å; I650-L675 HydrophobicContact CG2-CD1 3.04Å; I650-L675 HydrophobicContact CG2-CD2 3.81Å; I650-L675 HydrophobicContact CG2-CG 3.53Å; S653-L675 VanDerWaalsContact N-CB 3.32Å; S653-L675 WeakPolarHBondContact OG-CB 2.88Å; S653-L675 WeakPolarHBondContact OG-CD2 3.34Å
676	N	28.1	Very low	30.3	Very low	164 Å²	164	138.5 Å²	138.5	88%	0.877	76%	0.76	S	S	*	*			trans	-115.5	140.6	164.5	-94.3	-6.9	0	0	0	110.6
677	S	32.5	Very low	30.6	Very low	84 Å²	84	141.7 Å²	141.7	59%	0.587	77%	0.769	S	S	*	*			trans	-137.5	128.5	161.1	55.4	0	0	0	0	110	S653	S653-S677 PolarHBondContact OG-OG 3.22Å
678	G	29.6	Very low	30.8	Very low	72 Å²	72	138.1 Å²	138.1	74%	0.742	76%	0.759	S	S	*	*			trans	-107.7	161.9	179.5	0	0	0	0	0	114.4
679	V	33.5	Very low	31.1	Very low	129 Å²	129	135.8 Å²	135.8	78%	0.782	76%	0.755	S	S	*	*			trans	100.9	98.8	149.3	-168.1	0	0	0	0	118.9
680	N	34.7	Very low	31.7	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	76%	0.761	S	S	*	*			trans	76.2	94.7	133.2	-58.4	-7.4	0	0	0	124.7
681	S	29.4	Very low	32	Very low	119 Å²	119	130.2 Å²	130.2	83%	0.832	76%	0.755	S	S	*	*				26.5	163.1	119.3	-98.8	0	0	0	0	122.7
682	P	35.8	Very low	32.3	Very low	114 Å²	114	128.4 Å²	128.4	74%	0.74	75%	0.749	S	S	*	*			cis	-145.6	159.2	19.4	35.1	-11.4	0	0	0	120.7
683	R	27.5	Very low	32.5	Very low	236 Å²	236	128.7 Å²	128.7	89%	0.891	75%	0.751	S	S	*	*			trans	32.2	133.2	143.8	-78.2	-179.5	171.2	171.1	-2.5	124.7
684	L	30.5	Very low	32.8	Very low	153 Å²	153	137.2 Å²	137.2	80%	0.801	78%	0.783	S	S	*	*				-166.8	113	115.3	-125.9	89.2	0	0	0	112.4
685	Q	33.2	Very low	32.9	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	79%	0.785	S	S	*	*				79.5	118	116.2	-80.3	-176.2	0.6	0	0	120
686	T	28.6	Very low	32.9	Very low	138 Å²	138	142.5 Å²	142.5	85%	0.847	82%	0.816	S	S	*	*			trans	-100.5	145.4	173.8	41.6	0	0	0	0	112
687	I	34.8	Very low	33.1	Very low	179 Å²	179	141.3 Å²	141.3	92%	0.918	81%	0.813	S	S	*	*			trans	-132.1	136.4	157.7	-65.5	-179	0	0	0	109.4
688	D	34.3	Very low	33.2	Very low	129 Å²	129	144.7 Å²	144.7	69%	0.69	83%	0.826	S	S	*	*			trans	-83.8	153.6	-164.4	-99.8	-35.7	0	0	0	116.3
689	K	35.1	Very low	33.4	Very low	185 Å²	185	149.3 Å²	149.3	80%	0.804	83%	0.831	S	S	*	*			trans	53.9	128.6	135.6	-68.4	173.4	-179	168.8	0	123
690	A	36.1	Very low	33.4	Very low	110 Å²	110	150.6 Å²	150.6	91%	0.909	84%	0.835	S	S	*	*				150	142.9	116.5	0	0	0	0	0	107.4
691	G	35.6	Very low	33.3	Very low	66 Å²	66	150.8 Å²	150.8	68%	0.68	84%	0.838	S	S	*	*			cis	160.7	136.6	10.6	0	0	0	0	0	106
692	S	34.1	Very low	33.6	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	84%	0.838	S	S	*	*			trans	59.1	130.3	157.5	66.8	0	0	0	0	123.1
693	T	35.6	Very low	33.4	Very low	127 Å²	127	156.5 Å²	156.5	78%	0.779	85%	0.846	S	S	*	*			trans	75.7	93.8	138.2	54.3	0	0	0	0	119.7
694	H	35.5	Very low	33.9	Very low	263 Å²	263	149.3 Å²	149.3	100%	1.218	84%	0.842	S	S	*	*				-155.1	0	103.2	-117	-64.2	0	0	0	111.4

Retrieved 694 of 694 residues in 550.3 ms (Link to these results)

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